USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 55 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot -2:sc= -0.23 USER MOD Set 2.2: A 74 THR OG1 : rot -150:sc= -0.38 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.14) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 160:sc= -0.235 USER MOD Single : A 25 THR OG1 : rot 40:sc= 0.183 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0.155 (180deg=0.129) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 52 GLN : amide:sc= -0.0649 K(o=-0.065,f=-1.7!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0905 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0927 X(o=-0.093,f=-0.069) USER MOD Single : A 84 GLN : amide:sc= -0.0375 K(o=-0.038,f=-1.3) USER MOD Single : A 85 SER OG : rot 0:sc= 1.07 USER MOD Single : A 86 GLN : amide:sc= -0.556 K(o=-0.56,f=-1.2) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 0.136 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.797 3.737 2.476 1.00 0.00 N ATOM 106 CA ALA A 11 4.625 3.204 1.791 1.00 0.00 C ATOM 107 C ALA A 11 3.888 4.301 1.031 1.00 0.00 C ATOM 108 O ALA A 11 3.447 4.098 -0.099 1.00 0.00 O ATOM 109 CB ALA A 11 3.693 2.531 2.787 1.00 0.00 C ATOM 0 HA ALA A 11 4.963 2.462 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.822 2.138 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.218 1.714 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.370 3.258 3.532 1.00 0.00 H new ATOM 115 N GLY A 12 3.758 5.466 1.660 1.00 0.00 N ATOM 116 CA GLY A 12 3.072 6.578 1.027 1.00 0.00 C ATOM 117 C GLY A 12 2.140 7.301 1.979 1.00 0.00 C ATOM 118 O GLY A 12 1.858 6.832 3.082 1.00 0.00 O ATOM 0 H GLY A 12 4.115 5.659 2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.808 7.282 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.502 6.211 0.174 1.00 0.00 H new ATOM 122 N PRO A 13 1.646 8.473 1.553 1.00 0.00 N ATOM 123 CA PRO A 13 0.734 9.288 2.361 1.00 0.00 C ATOM 124 C PRO A 13 -0.643 8.648 2.504 1.00 0.00 C ATOM 125 O PRO A 13 -1.065 7.865 1.652 1.00 0.00 O ATOM 126 CB PRO A 13 0.636 10.597 1.573 1.00 0.00 C ATOM 127 CG PRO A 13 0.944 10.217 0.166 1.00 0.00 C ATOM 128 CD PRO A 13 1.940 9.093 0.250 1.00 0.00 C ATOM 0 HA PRO A 13 1.096 9.415 3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.359 11.035 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.343 11.338 1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.043 9.901 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.355 11.062 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.816 8.385 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.965 9.460 0.202 1.00 0.00 H new ATOM 136 N ASP A 14 -1.338 8.987 3.584 1.00 0.00 N ATOM 137 CA ASP A 14 -2.669 8.446 3.837 1.00 0.00 C ATOM 138 C ASP A 14 -3.474 8.356 2.544 1.00 0.00 C ATOM 139 O ASP A 14 -3.286 9.154 1.626 1.00 0.00 O ATOM 140 CB ASP A 14 -3.410 9.314 4.855 1.00 0.00 C ATOM 141 CG ASP A 14 -4.112 10.493 4.208 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.413 11.422 3.753 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.360 10.486 4.159 1.00 0.00 O ATOM 0 H ASP A 14 -1.002 9.633 4.298 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.555 7.441 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.143 8.704 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.703 9.680 5.600 1.00 0.00 H new ATOM 148 N LYS A 15 -4.371 7.378 2.479 1.00 0.00 N ATOM 149 CA LYS A 15 -5.206 7.182 1.300 1.00 0.00 C ATOM 150 C LYS A 15 -6.673 7.448 1.622 1.00 0.00 C ATOM 151 O LYS A 15 -7.207 6.926 2.600 1.00 0.00 O ATOM 152 CB LYS A 15 -5.040 5.759 0.763 1.00 0.00 C ATOM 153 CG LYS A 15 -3.624 5.439 0.314 1.00 0.00 C ATOM 154 CD LYS A 15 -3.407 5.800 -1.146 1.00 0.00 C ATOM 155 CE LYS A 15 -1.935 6.043 -1.446 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.482 7.375 -0.958 1.00 0.00 N ATOM 0 H LYS A 15 -4.538 6.708 3.230 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.886 7.891 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.335 5.051 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.720 5.615 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.913 5.984 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.426 4.377 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.781 4.996 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.982 6.693 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.335 5.262 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.767 5.974 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.523 7.567 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.132 8.110 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.474 7.379 0.082 1.00 0.00 H new ATOM 170 N GLU A 16 -7.319 8.261 0.791 1.00 0.00 N ATOM 171 CA GLU A 16 -8.724 8.593 0.989 1.00 0.00 C ATOM 172 C GLU A 16 -9.526 8.346 -0.286 1.00 0.00 C ATOM 173 O GLU A 16 -9.501 9.154 -1.216 1.00 0.00 O ATOM 174 CB GLU A 16 -8.870 10.054 1.420 1.00 0.00 C ATOM 175 CG GLU A 16 -10.096 10.316 2.278 1.00 0.00 C ATOM 176 CD GLU A 16 -10.309 11.791 2.557 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.643 12.533 1.610 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.142 12.204 3.724 1.00 0.00 O ATOM 0 H GLU A 16 -6.892 8.701 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.116 7.948 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.979 10.351 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.918 10.683 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.977 9.914 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.994 9.782 3.223 1.00 0.00 H new ATOM 185 N LEU A 17 -10.237 7.224 -0.322 1.00 0.00 N ATOM 186 CA LEU A 17 -11.046 6.869 -1.483 1.00 0.00 C ATOM 187 C LEU A 17 -12.510 7.234 -1.258 1.00 0.00 C ATOM 188 O LEU A 17 -12.976 7.306 -0.120 1.00 0.00 O ATOM 189 CB LEU A 17 -10.922 5.373 -1.777 1.00 0.00 C ATOM 190 CG LEU A 17 -9.497 4.827 -1.885 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.488 3.318 -1.691 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.885 5.197 -3.228 1.00 0.00 C ATOM 0 H LEU A 17 -10.270 6.545 0.439 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.677 7.434 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.442 4.824 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.443 5.162 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.894 5.278 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.466 2.947 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.886 3.075 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.105 2.849 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.871 4.801 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.488 4.774 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.857 6.282 -3.328 1.00 0.00 H new ATOM 204 N THR A 18 -13.233 7.462 -2.350 1.00 0.00 N ATOM 205 CA THR A 18 -14.644 7.819 -2.273 1.00 0.00 C ATOM 206 C THR A 18 -15.468 7.020 -3.276 1.00 0.00 C ATOM 207 O THR A 18 -15.413 7.270 -4.480 1.00 0.00 O ATOM 208 CB THR A 18 -14.858 9.322 -2.531 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.093 10.093 -1.598 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.330 9.687 -2.412 1.00 0.00 C ATOM 0 H THR A 18 -12.864 7.406 -3.299 1.00 0.00 H new ATOM 0 HA THR A 18 -14.976 7.581 -1.262 1.00 0.00 H new ATOM 0 HB THR A 18 -14.525 9.545 -3.545 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.233 11.048 -1.770 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.457 10.753 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.906 9.120 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.684 9.449 -1.409 1.00 0.00 H new ATOM 218 N LEU A 19 -16.234 6.058 -2.772 1.00 0.00 N ATOM 219 CA LEU A 19 -17.072 5.222 -3.624 1.00 0.00 C ATOM 220 C LEU A 19 -17.677 6.038 -4.762 1.00 0.00 C ATOM 221 O LEU A 19 -17.824 7.257 -4.674 1.00 0.00 O ATOM 222 CB LEU A 19 -18.184 4.572 -2.799 1.00 0.00 C ATOM 223 CG LEU A 19 -17.781 3.353 -1.969 1.00 0.00 C ATOM 224 CD1 LEU A 19 -18.890 2.976 -1.000 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.440 2.180 -2.876 1.00 0.00 C ATOM 0 H LEU A 19 -16.292 5.838 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.445 4.442 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.596 5.324 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.985 4.276 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.894 3.609 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.585 2.106 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.086 3.812 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.796 2.739 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.155 1.321 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.309 1.924 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.611 2.454 -3.528 1.00 0.00 H new ATOM 237 N PRO A 20 -18.038 5.351 -5.856 1.00 0.00 N ATOM 238 CA PRO A 20 -17.868 3.900 -5.972 1.00 0.00 C ATOM 239 C PRO A 20 -16.402 3.495 -6.083 1.00 0.00 C ATOM 240 O PRO A 20 -16.078 2.310 -6.158 1.00 0.00 O ATOM 241 CB PRO A 20 -18.616 3.556 -7.262 1.00 0.00 C ATOM 242 CG PRO A 20 -18.591 4.814 -8.061 1.00 0.00 C ATOM 243 CD PRO A 20 -18.641 5.938 -7.064 1.00 0.00 C ATOM 0 HA PRO A 20 -18.243 3.375 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.131 2.739 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.638 3.239 -7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.689 4.872 -8.670 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.439 4.860 -8.744 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.082 6.807 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.664 6.269 -6.882 1.00 0.00 H new ATOM 251 N VAL A 21 -15.518 4.488 -6.092 1.00 0.00 N ATOM 252 CA VAL A 21 -14.085 4.236 -6.193 1.00 0.00 C ATOM 253 C VAL A 21 -13.608 3.321 -5.070 1.00 0.00 C ATOM 254 O VAL A 21 -13.164 3.789 -4.021 1.00 0.00 O ATOM 255 CB VAL A 21 -13.280 5.548 -6.149 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.787 5.260 -6.195 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.690 6.463 -7.293 1.00 0.00 C ATOM 0 H VAL A 21 -15.769 5.475 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.916 3.747 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.499 6.057 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.234 6.199 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.508 4.646 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.547 4.729 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.111 7.385 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.502 5.964 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.752 6.696 -7.210 1.00 0.00 H new ATOM 267 N ASP A 22 -13.703 2.016 -5.297 1.00 0.00 N ATOM 268 CA ASP A 22 -13.280 1.034 -4.305 1.00 0.00 C ATOM 269 C ASP A 22 -11.989 0.347 -4.738 1.00 0.00 C ATOM 270 O ASP A 22 -11.791 -0.841 -4.483 1.00 0.00 O ATOM 271 CB ASP A 22 -14.378 -0.007 -4.086 1.00 0.00 C ATOM 272 CG ASP A 22 -14.796 -0.688 -5.374 1.00 0.00 C ATOM 273 OD1 ASP A 22 -14.122 -1.659 -5.778 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.797 -0.251 -5.979 1.00 0.00 O ATOM 0 H ASP A 22 -14.069 1.613 -6.159 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.095 1.558 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.026 -0.758 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.246 0.474 -3.635 1.00 0.00 H new ATOM 279 N SER A 23 -11.114 1.101 -5.395 1.00 0.00 N ATOM 280 CA SER A 23 -9.843 0.564 -5.867 1.00 0.00 C ATOM 281 C SER A 23 -8.761 1.639 -5.858 1.00 0.00 C ATOM 282 O SER A 23 -8.978 2.760 -6.318 1.00 0.00 O ATOM 283 CB SER A 23 -10.000 -0.006 -7.279 1.00 0.00 C ATOM 284 OG SER A 23 -10.230 1.026 -8.222 1.00 0.00 O ATOM 0 H SER A 23 -11.262 2.086 -5.613 1.00 0.00 H new ATOM 0 HA SER A 23 -9.541 -0.236 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.102 -0.560 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.829 -0.713 -7.299 1.00 0.00 H new ATOM 0 HG SER A 23 -10.325 0.637 -9.116 1.00 0.00 H new ATOM 290 N THR A 24 -7.592 1.289 -5.328 1.00 0.00 N ATOM 291 CA THR A 24 -6.475 2.222 -5.257 1.00 0.00 C ATOM 292 C THR A 24 -5.161 1.535 -5.611 1.00 0.00 C ATOM 293 O THR A 24 -5.116 0.320 -5.808 1.00 0.00 O ATOM 294 CB THR A 24 -6.354 2.845 -3.853 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.359 3.875 -3.860 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.990 1.788 -2.821 1.00 0.00 C ATOM 0 H THR A 24 -7.395 0.366 -4.942 1.00 0.00 H new ATOM 0 HA THR A 24 -6.675 3.011 -5.982 1.00 0.00 H new ATOM 0 HB THR A 24 -7.320 3.274 -3.585 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.500 4.471 -3.095 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.910 2.252 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.763 1.020 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.035 1.334 -3.086 1.00 0.00 H new ATOM 304 N THR A 25 -4.092 2.320 -5.691 1.00 0.00 N ATOM 305 CA THR A 25 -2.776 1.788 -6.022 1.00 0.00 C ATOM 306 C THR A 25 -1.725 2.258 -5.023 1.00 0.00 C ATOM 307 O THR A 25 -1.564 3.457 -4.794 1.00 0.00 O ATOM 308 CB THR A 25 -2.342 2.204 -7.440 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.433 3.626 -7.583 1.00 0.00 O ATOM 310 CG2 THR A 25 -3.209 1.527 -8.492 1.00 0.00 C ATOM 0 H THR A 25 -4.112 3.327 -5.531 1.00 0.00 H new ATOM 0 HA THR A 25 -2.855 0.702 -5.978 1.00 0.00 H new ATOM 0 HB THR A 25 -1.309 1.890 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.126 4.058 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.884 1.836 -9.485 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.115 0.445 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.250 1.814 -8.345 1.00 0.00 H new ATOM 318 N LEU A 26 -1.011 1.307 -4.431 1.00 0.00 N ATOM 319 CA LEU A 26 0.027 1.624 -3.456 1.00 0.00 C ATOM 320 C LEU A 26 1.410 1.572 -4.097 1.00 0.00 C ATOM 321 O LEU A 26 2.034 0.512 -4.163 1.00 0.00 O ATOM 322 CB LEU A 26 -0.039 0.652 -2.277 1.00 0.00 C ATOM 323 CG LEU A 26 -1.291 0.741 -1.403 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.611 -0.613 -0.790 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.109 1.791 -0.317 1.00 0.00 C ATOM 0 H LEU A 26 -1.132 0.310 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.147 2.637 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.038 -0.364 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.833 0.819 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.130 1.039 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.505 -0.530 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.785 -1.340 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.773 -0.941 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.009 1.841 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.258 1.523 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.929 2.763 -0.777 1.00 0.00 H new ATOM 337 N ASP A 27 1.884 2.721 -4.564 1.00 0.00 N ATOM 338 CA ASP A 27 3.196 2.807 -5.196 1.00 0.00 C ATOM 339 C ASP A 27 4.241 3.321 -4.211 1.00 0.00 C ATOM 340 O ASP A 27 4.156 4.452 -3.734 1.00 0.00 O ATOM 341 CB ASP A 27 3.136 3.722 -6.420 1.00 0.00 C ATOM 342 CG ASP A 27 2.788 5.152 -6.058 1.00 0.00 C ATOM 343 OD1 ASP A 27 1.617 5.407 -5.710 1.00 0.00 O ATOM 344 OD2 ASP A 27 3.688 6.017 -6.123 1.00 0.00 O ATOM 0 H ASP A 27 1.380 3.606 -4.517 1.00 0.00 H new ATOM 0 HA ASP A 27 3.486 1.806 -5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.099 3.704 -6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.395 3.337 -7.121 1.00 0.00 H new ATOM 349 N GLY A 28 5.227 2.482 -3.910 1.00 0.00 N ATOM 350 CA GLY A 28 6.274 2.869 -2.983 1.00 0.00 C ATOM 351 C GLY A 28 7.541 3.309 -3.689 1.00 0.00 C ATOM 352 O GLY A 28 8.640 3.161 -3.156 1.00 0.00 O ATOM 0 H GLY A 28 5.319 1.541 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.913 3.681 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.501 2.030 -2.325 1.00 0.00 H new ATOM 493 N ILE A 38 15.885 -4.011 -3.389 1.00 0.00 N ATOM 494 CA ILE A 38 15.754 -5.059 -4.394 1.00 0.00 C ATOM 495 C ILE A 38 14.628 -6.023 -4.038 1.00 0.00 C ATOM 496 O ILE A 38 14.600 -7.161 -4.507 1.00 0.00 O ATOM 497 CB ILE A 38 17.063 -5.853 -4.555 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.537 -6.376 -3.198 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.134 -4.984 -5.197 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.555 -7.491 -3.302 1.00 0.00 C ATOM 0 HA ILE A 38 15.522 -4.564 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 38 16.876 -6.706 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.970 -5.552 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.675 -6.733 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.054 -5.559 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.795 -4.655 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.322 -4.114 -4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.846 -7.812 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.119 -8.332 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.434 -7.132 -3.838 1.00 0.00 H new ATOM 512 N SER A 39 13.699 -5.560 -3.207 1.00 0.00 N ATOM 513 CA SER A 39 12.571 -6.383 -2.786 1.00 0.00 C ATOM 514 C SER A 39 11.355 -5.517 -2.471 1.00 0.00 C ATOM 515 O SER A 39 11.488 -4.396 -1.978 1.00 0.00 O ATOM 516 CB SER A 39 12.950 -7.216 -1.560 1.00 0.00 C ATOM 517 OG SER A 39 11.885 -8.068 -1.174 1.00 0.00 O ATOM 0 H SER A 39 13.705 -4.620 -2.812 1.00 0.00 H new ATOM 0 HA SER A 39 12.315 -7.053 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.835 -7.812 -1.781 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.209 -6.555 -0.733 1.00 0.00 H new ATOM 0 HG SER A 39 12.152 -8.591 -0.390 1.00 0.00 H new ATOM 523 N TYR A 40 10.171 -6.044 -2.759 1.00 0.00 N ATOM 524 CA TYR A 40 8.930 -5.319 -2.509 1.00 0.00 C ATOM 525 C TYR A 40 7.786 -6.284 -2.214 1.00 0.00 C ATOM 526 O TYR A 40 7.520 -7.206 -2.986 1.00 0.00 O ATOM 527 CB TYR A 40 8.576 -4.443 -3.712 1.00 0.00 C ATOM 528 CG TYR A 40 9.437 -3.207 -3.835 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.301 -2.150 -2.944 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.387 -3.095 -4.844 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.086 -1.018 -3.053 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.176 -1.968 -4.960 1.00 0.00 C ATOM 533 CZ TYR A 40 11.022 -0.932 -4.062 1.00 0.00 C ATOM 534 OH TYR A 40 11.806 0.194 -4.175 1.00 0.00 O ATOM 0 H TYR A 40 10.043 -6.971 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 40 9.079 -4.683 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.672 -5.035 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.531 -4.142 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.569 -2.214 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.510 -3.904 -5.549 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.967 -0.205 -2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.910 -1.898 -5.749 1.00 0.00 H new ATOM 0 HH TYR A 40 12.414 0.094 -4.937 1.00 0.00 H new ATOM 544 N LEU A 41 7.112 -6.065 -1.090 1.00 0.00 N ATOM 545 CA LEU A 41 5.994 -6.913 -0.691 1.00 0.00 C ATOM 546 C LEU A 41 4.845 -6.076 -0.139 1.00 0.00 C ATOM 547 O LEU A 41 5.060 -5.136 0.626 1.00 0.00 O ATOM 548 CB LEU A 41 6.450 -7.929 0.358 1.00 0.00 C ATOM 549 CG LEU A 41 5.382 -8.905 0.856 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.262 -10.092 -0.087 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.704 -9.373 2.267 1.00 0.00 C ATOM 0 H LEU A 41 7.320 -5.308 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 41 5.639 -7.445 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.275 -8.506 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.844 -7.384 1.216 1.00 0.00 H new ATOM 0 HG LEU A 41 4.424 -8.386 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.498 -10.775 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.984 -9.741 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.218 -10.612 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.934 -10.066 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.672 -9.875 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.738 -8.514 2.937 1.00 0.00 H new ATOM 563 N TRP A 42 3.625 -6.425 -0.530 1.00 0.00 N ATOM 564 CA TRP A 42 2.441 -5.707 -0.073 1.00 0.00 C ATOM 565 C TRP A 42 1.431 -6.664 0.551 1.00 0.00 C ATOM 566 O TRP A 42 0.967 -7.600 -0.098 1.00 0.00 O ATOM 567 CB TRP A 42 1.795 -4.953 -1.237 1.00 0.00 C ATOM 568 CG TRP A 42 2.521 -3.693 -1.603 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.412 -3.528 -2.624 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.417 -2.424 -0.949 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.869 -2.232 -2.645 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.273 -1.534 -1.628 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.683 -1.951 0.142 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.414 -0.202 -1.249 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.825 -0.629 0.518 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.684 0.234 -0.176 1.00 0.00 C ATOM 0 H TRP A 42 3.430 -7.201 -1.163 1.00 0.00 H new ATOM 0 HA TRP A 42 2.752 -4.990 0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.756 -5.608 -2.108 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.766 -4.708 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.714 -4.302 -3.314 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.543 -1.852 -3.310 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.016 -2.607 0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.076 0.464 -1.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.264 -0.254 1.361 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.772 1.262 0.142 1.00 0.00 H new ATOM 587 N GLU A 43 1.095 -6.422 1.815 1.00 0.00 N ATOM 588 CA GLU A 43 0.140 -7.264 2.525 1.00 0.00 C ATOM 589 C GLU A 43 -0.695 -6.437 3.498 1.00 0.00 C ATOM 590 O GLU A 43 -0.210 -5.470 4.086 1.00 0.00 O ATOM 591 CB GLU A 43 0.870 -8.376 3.280 1.00 0.00 C ATOM 592 CG GLU A 43 1.537 -9.393 2.370 1.00 0.00 C ATOM 593 CD GLU A 43 2.047 -10.606 3.124 1.00 0.00 C ATOM 594 OE1 GLU A 43 2.957 -10.443 3.964 1.00 0.00 O ATOM 595 OE2 GLU A 43 1.536 -11.718 2.874 1.00 0.00 O ATOM 0 H GLU A 43 1.470 -5.651 2.367 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.528 -7.712 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.625 -7.929 3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.160 -8.891 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.826 -9.715 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.368 -8.918 1.849 1.00 0.00 H new ATOM 602 N LYS A 44 -1.956 -6.824 3.664 1.00 0.00 N ATOM 603 CA LYS A 44 -2.860 -6.121 4.566 1.00 0.00 C ATOM 604 C LYS A 44 -2.704 -6.627 5.997 1.00 0.00 C ATOM 605 O LYS A 44 -3.059 -7.765 6.307 1.00 0.00 O ATOM 606 CB LYS A 44 -4.309 -6.297 4.107 1.00 0.00 C ATOM 607 CG LYS A 44 -5.329 -5.732 5.081 1.00 0.00 C ATOM 608 CD LYS A 44 -6.743 -5.846 4.536 1.00 0.00 C ATOM 609 CE LYS A 44 -7.225 -7.288 4.535 1.00 0.00 C ATOM 610 NZ LYS A 44 -7.663 -7.728 5.889 1.00 0.00 N ATOM 0 H LYS A 44 -2.375 -7.621 3.185 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.604 -5.062 4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.436 -5.812 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.508 -7.359 3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.260 -6.263 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.099 -4.686 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.417 -5.237 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.776 -5.449 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.053 -7.394 3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.424 -7.938 4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.047 -8.693 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.850 -7.716 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.398 -7.083 6.243 1.00 0.00 H new ATOM 624 N THR A 45 -2.172 -5.774 6.866 1.00 0.00 N ATOM 625 CA THR A 45 -1.969 -6.134 8.264 1.00 0.00 C ATOM 626 C THR A 45 -3.286 -6.123 9.031 1.00 0.00 C ATOM 627 O THR A 45 -3.609 -7.075 9.741 1.00 0.00 O ATOM 628 CB THR A 45 -0.979 -5.177 8.953 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.288 -3.821 8.609 1.00 0.00 O ATOM 630 CG2 THR A 45 0.453 -5.494 8.547 1.00 0.00 C ATOM 0 H THR A 45 -1.874 -4.828 6.626 1.00 0.00 H new ATOM 0 HA THR A 45 -1.554 -7.142 8.273 1.00 0.00 H new ATOM 0 HB THR A 45 -1.072 -5.309 10.031 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.041 -3.806 7.982 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.134 -4.805 9.046 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.695 -6.517 8.836 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.557 -5.388 7.467 1.00 0.00 H new ATOM 638 N GLN A 46 -4.043 -5.040 8.883 1.00 0.00 N ATOM 639 CA GLN A 46 -5.326 -4.906 9.563 1.00 0.00 C ATOM 640 C GLN A 46 -6.436 -4.577 8.571 1.00 0.00 C ATOM 641 O GLN A 46 -6.200 -4.486 7.367 1.00 0.00 O ATOM 642 CB GLN A 46 -5.247 -3.820 10.637 1.00 0.00 C ATOM 643 CG GLN A 46 -4.825 -4.343 12.001 1.00 0.00 C ATOM 644 CD GLN A 46 -4.395 -3.236 12.943 1.00 0.00 C ATOM 645 OE1 GLN A 46 -4.935 -2.130 12.908 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.417 -3.528 13.793 1.00 0.00 N ATOM 0 H GLN A 46 -3.790 -4.243 8.299 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.559 -5.859 10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.541 -3.054 10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.221 -3.338 10.727 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.654 -4.893 12.447 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.004 -5.049 11.877 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.997 -4.458 13.788 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.086 -2.823 14.451 1.00 0.00 H new ATOM 655 N GLY A 47 -7.649 -4.399 9.085 1.00 0.00 N ATOM 656 CA GLY A 47 -8.778 -4.082 8.230 1.00 0.00 C ATOM 657 C GLY A 47 -9.609 -5.303 7.889 1.00 0.00 C ATOM 658 O GLY A 47 -9.220 -6.440 8.161 1.00 0.00 O ATOM 0 H GLY A 47 -7.870 -4.469 10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.409 -3.344 8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.415 -3.625 7.309 1.00 0.00 H new ATOM 662 N PRO A 48 -10.782 -5.075 7.282 1.00 0.00 N ATOM 663 CA PRO A 48 -11.695 -6.154 6.892 1.00 0.00 C ATOM 664 C PRO A 48 -11.147 -6.987 5.737 1.00 0.00 C ATOM 665 O PRO A 48 -10.671 -6.445 4.740 1.00 0.00 O ATOM 666 CB PRO A 48 -12.961 -5.409 6.460 1.00 0.00 C ATOM 667 CG PRO A 48 -12.484 -4.061 6.044 1.00 0.00 C ATOM 668 CD PRO A 48 -11.309 -3.746 6.928 1.00 0.00 C ATOM 0 HA PRO A 48 -11.858 -6.864 7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.462 -5.922 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.678 -5.340 7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.194 -4.057 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.271 -3.316 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.564 -3.144 6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.611 -3.185 7.812 1.00 0.00 H new ATOM 676 N ASP A 49 -11.220 -8.306 5.880 1.00 0.00 N ATOM 677 CA ASP A 49 -10.733 -9.214 4.848 1.00 0.00 C ATOM 678 C ASP A 49 -11.665 -9.215 3.641 1.00 0.00 C ATOM 679 O ASP A 49 -12.770 -8.677 3.697 1.00 0.00 O ATOM 680 CB ASP A 49 -10.600 -10.631 5.407 1.00 0.00 C ATOM 681 CG ASP A 49 -9.591 -11.464 4.641 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.438 -11.009 4.490 1.00 0.00 O ATOM 683 OD2 ASP A 49 -9.954 -12.571 4.193 1.00 0.00 O ATOM 0 H ASP A 49 -11.611 -8.770 6.700 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.752 -8.866 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.303 -10.579 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.572 -11.123 5.375 1.00 0.00 H new ATOM 688 N GLY A 50 -11.212 -9.824 2.549 1.00 0.00 N ATOM 689 CA GLY A 50 -12.018 -9.883 1.344 1.00 0.00 C ATOM 690 C GLY A 50 -11.342 -9.218 0.161 1.00 0.00 C ATOM 691 O GLY A 50 -11.258 -9.797 -0.922 1.00 0.00 O ATOM 0 H GLY A 50 -10.301 -10.277 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.227 -10.925 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.978 -9.400 1.529 1.00 0.00 H new ATOM 695 N VAL A 51 -10.859 -7.996 0.368 1.00 0.00 N ATOM 696 CA VAL A 51 -10.187 -7.251 -0.690 1.00 0.00 C ATOM 697 C VAL A 51 -9.207 -8.138 -1.450 1.00 0.00 C ATOM 698 O VAL A 51 -8.871 -9.234 -1.002 1.00 0.00 O ATOM 699 CB VAL A 51 -9.429 -6.035 -0.126 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.395 -5.065 0.538 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.355 -6.484 0.853 1.00 0.00 C ATOM 0 H VAL A 51 -10.921 -7.502 1.258 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.962 -6.903 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.942 -5.517 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.842 -4.212 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.124 -4.719 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.913 -5.569 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.829 -5.612 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.818 -7.026 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.647 -7.137 0.342 1.00 0.00 H new ATOM 711 N GLN A 52 -8.753 -7.656 -2.603 1.00 0.00 N ATOM 712 CA GLN A 52 -7.812 -8.406 -3.426 1.00 0.00 C ATOM 713 C GLN A 52 -6.600 -7.551 -3.783 1.00 0.00 C ATOM 714 O GLN A 52 -6.739 -6.456 -4.328 1.00 0.00 O ATOM 715 CB GLN A 52 -8.497 -8.900 -4.701 1.00 0.00 C ATOM 716 CG GLN A 52 -9.617 -9.895 -4.444 1.00 0.00 C ATOM 717 CD GLN A 52 -10.028 -10.647 -5.694 1.00 0.00 C ATOM 718 OE1 GLN A 52 -9.302 -10.665 -6.689 1.00 0.00 O ATOM 719 NE2 GLN A 52 -11.198 -11.273 -5.651 1.00 0.00 N ATOM 0 H GLN A 52 -9.022 -6.750 -2.988 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.470 -9.266 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.900 -8.044 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.752 -9.364 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.297 -10.608 -3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.482 -9.367 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.768 -11.232 -4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.527 -11.795 -6.463 1.00 0.00 H new ATOM 728 N LEU A 53 -5.412 -8.059 -3.473 1.00 0.00 N ATOM 729 CA LEU A 53 -4.175 -7.341 -3.762 1.00 0.00 C ATOM 730 C LEU A 53 -3.463 -7.947 -4.967 1.00 0.00 C ATOM 731 O LEU A 53 -3.214 -9.151 -5.012 1.00 0.00 O ATOM 732 CB LEU A 53 -3.251 -7.367 -2.543 1.00 0.00 C ATOM 733 CG LEU A 53 -3.403 -6.205 -1.561 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.067 -6.654 -0.147 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.520 -5.037 -1.976 1.00 0.00 C ATOM 0 H LEU A 53 -5.279 -8.964 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.429 -6.307 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.422 -8.298 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.219 -7.387 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.441 -5.873 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.181 -5.814 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.741 -7.458 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.038 -7.013 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.641 -4.219 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.478 -5.355 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.808 -4.699 -2.971 1.00 0.00 H new ATOM 747 N GLU A 54 -3.136 -7.103 -5.940 1.00 0.00 N ATOM 748 CA GLU A 54 -2.450 -7.556 -7.145 1.00 0.00 C ATOM 749 C GLU A 54 -1.052 -6.950 -7.236 1.00 0.00 C ATOM 750 O GLU A 54 -0.805 -5.856 -6.732 1.00 0.00 O ATOM 751 CB GLU A 54 -3.260 -7.186 -8.389 1.00 0.00 C ATOM 752 CG GLU A 54 -4.255 -8.255 -8.808 1.00 0.00 C ATOM 753 CD GLU A 54 -3.643 -9.642 -8.837 1.00 0.00 C ATOM 754 OE1 GLU A 54 -3.091 -10.024 -9.890 1.00 0.00 O ATOM 755 OE2 GLU A 54 -3.716 -10.346 -7.808 1.00 0.00 O ATOM 0 H GLU A 54 -3.335 -6.103 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.354 -8.640 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.797 -6.256 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.575 -6.996 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.100 -8.249 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.647 -8.014 -9.796 1.00 0.00 H new ATOM 762 N ASN A 55 -0.142 -7.672 -7.882 1.00 0.00 N ATOM 763 CA ASN A 55 1.231 -7.207 -8.039 1.00 0.00 C ATOM 764 C ASN A 55 1.849 -6.869 -6.685 1.00 0.00 C ATOM 765 O ASN A 55 2.658 -5.949 -6.573 1.00 0.00 O ATOM 766 CB ASN A 55 1.275 -5.981 -8.952 1.00 0.00 C ATOM 767 CG ASN A 55 1.449 -6.353 -10.412 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.555 -6.660 -10.859 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.355 -6.327 -11.164 1.00 0.00 N ATOM 0 H ASN A 55 -0.331 -8.581 -8.305 1.00 0.00 H new ATOM 0 HA ASN A 55 1.811 -8.011 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.355 -5.409 -8.833 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.095 -5.332 -8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.411 -6.567 -12.154 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.541 -6.067 -10.752 1.00 0.00 H new ATOM 776 N ALA A 56 1.462 -7.621 -5.660 1.00 0.00 N ATOM 777 CA ALA A 56 1.979 -7.404 -4.315 1.00 0.00 C ATOM 778 C ALA A 56 3.502 -7.484 -4.293 1.00 0.00 C ATOM 779 O ALA A 56 4.157 -6.796 -3.512 1.00 0.00 O ATOM 780 CB ALA A 56 1.381 -8.417 -3.350 1.00 0.00 C ATOM 0 H ALA A 56 0.792 -8.386 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 56 1.689 -6.402 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.776 -8.243 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.296 -8.310 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.642 -9.425 -3.673 1.00 0.00 H new ATOM 786 N ASN A 57 4.058 -8.330 -5.154 1.00 0.00 N ATOM 787 CA ASN A 57 5.504 -8.501 -5.232 1.00 0.00 C ATOM 788 C ASN A 57 6.129 -7.442 -6.135 1.00 0.00 C ATOM 789 O ASN A 57 7.209 -7.644 -6.691 1.00 0.00 O ATOM 790 CB ASN A 57 5.846 -9.898 -5.754 1.00 0.00 C ATOM 791 CG ASN A 57 5.434 -10.993 -4.788 1.00 0.00 C ATOM 792 OD1 ASN A 57 4.246 -11.242 -4.585 1.00 0.00 O ATOM 793 ND2 ASN A 57 6.418 -11.652 -4.187 1.00 0.00 N ATOM 0 H ASN A 57 3.529 -8.908 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 57 5.913 -8.385 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.350 -10.057 -6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.919 -9.962 -5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.203 -12.399 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.389 -11.411 -4.386 1.00 0.00 H new ATOM 800 N SER A 58 5.443 -6.312 -6.275 1.00 0.00 N ATOM 801 CA SER A 58 5.929 -5.222 -7.113 1.00 0.00 C ATOM 802 C SER A 58 5.822 -3.887 -6.382 1.00 0.00 C ATOM 803 O SER A 58 4.837 -3.620 -5.695 1.00 0.00 O ATOM 804 CB SER A 58 5.139 -5.165 -8.422 1.00 0.00 C ATOM 805 OG SER A 58 5.685 -6.048 -9.386 1.00 0.00 O ATOM 0 H SER A 58 4.549 -6.128 -5.819 1.00 0.00 H new ATOM 0 HA SER A 58 6.979 -5.410 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.098 -5.426 -8.234 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.147 -4.147 -8.811 1.00 0.00 H new ATOM 0 HG SER A 58 5.161 -5.994 -10.213 1.00 0.00 H new ATOM 811 N SER A 59 6.844 -3.051 -6.537 1.00 0.00 N ATOM 812 CA SER A 59 6.868 -1.744 -5.890 1.00 0.00 C ATOM 813 C SER A 59 5.479 -1.114 -5.887 1.00 0.00 C ATOM 814 O SER A 59 5.139 -0.337 -4.995 1.00 0.00 O ATOM 815 CB SER A 59 7.859 -0.819 -6.599 1.00 0.00 C ATOM 816 OG SER A 59 7.368 -0.422 -7.867 1.00 0.00 O ATOM 0 H SER A 59 7.666 -3.255 -7.105 1.00 0.00 H new ATOM 0 HA SER A 59 7.187 -1.883 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.042 0.062 -5.984 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.815 -1.329 -6.719 1.00 0.00 H new ATOM 0 HG SER A 59 8.019 0.170 -8.299 1.00 0.00 H new ATOM 822 N VAL A 60 4.679 -1.455 -6.892 1.00 0.00 N ATOM 823 CA VAL A 60 3.326 -0.925 -7.007 1.00 0.00 C ATOM 824 C VAL A 60 2.287 -2.031 -6.862 1.00 0.00 C ATOM 825 O VAL A 60 2.358 -3.055 -7.541 1.00 0.00 O ATOM 826 CB VAL A 60 3.115 -0.211 -8.355 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.708 0.361 -8.442 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.156 0.882 -8.548 1.00 0.00 C ATOM 0 H VAL A 60 4.945 -2.097 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 60 3.200 -0.204 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 60 3.235 -0.941 -9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.577 0.862 -9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.981 -0.446 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.556 1.078 -7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.992 1.376 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.070 1.612 -7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.153 0.442 -8.533 1.00 0.00 H new ATOM 838 N ALA A 61 1.323 -1.818 -5.973 1.00 0.00 N ATOM 839 CA ALA A 61 0.268 -2.796 -5.741 1.00 0.00 C ATOM 840 C ALA A 61 -1.108 -2.194 -6.008 1.00 0.00 C ATOM 841 O ALA A 61 -1.263 -0.973 -6.064 1.00 0.00 O ATOM 842 CB ALA A 61 0.345 -3.329 -4.318 1.00 0.00 C ATOM 0 H ALA A 61 1.251 -0.976 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 61 0.415 -3.623 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.449 -4.059 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.312 -3.806 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.227 -2.505 -3.614 1.00 0.00 H new ATOM 848 N THR A 62 -2.105 -3.057 -6.172 1.00 0.00 N ATOM 849 CA THR A 62 -3.467 -2.611 -6.435 1.00 0.00 C ATOM 850 C THR A 62 -4.464 -3.325 -5.530 1.00 0.00 C ATOM 851 O THR A 62 -4.593 -4.548 -5.575 1.00 0.00 O ATOM 852 CB THR A 62 -3.863 -2.849 -7.905 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.965 -2.150 -8.774 1.00 0.00 O ATOM 854 CG2 THR A 62 -5.289 -2.388 -8.163 1.00 0.00 C ATOM 0 H THR A 62 -1.995 -4.070 -6.127 1.00 0.00 H new ATOM 0 HA THR A 62 -3.494 -1.541 -6.228 1.00 0.00 H new ATOM 0 HB THR A 62 -3.802 -3.919 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.223 -2.308 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.546 -2.566 -9.207 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.973 -2.944 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.372 -1.323 -7.946 1.00 0.00 H new ATOM 862 N VAL A 63 -5.169 -2.553 -4.709 1.00 0.00 N ATOM 863 CA VAL A 63 -6.157 -3.112 -3.794 1.00 0.00 C ATOM 864 C VAL A 63 -7.575 -2.860 -4.294 1.00 0.00 C ATOM 865 O VAL A 63 -8.013 -1.714 -4.402 1.00 0.00 O ATOM 866 CB VAL A 63 -6.010 -2.520 -2.379 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.096 -3.059 -1.460 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.628 -2.819 -1.818 1.00 0.00 C ATOM 0 H VAL A 63 -5.074 -1.539 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.976 -4.186 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.125 -1.438 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.977 -2.630 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.075 -2.789 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.016 -4.144 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.541 -2.394 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.481 -3.898 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.869 -2.380 -2.466 1.00 0.00 H new ATOM 878 N THR A 64 -8.290 -3.938 -4.600 1.00 0.00 N ATOM 879 CA THR A 64 -9.658 -3.835 -5.089 1.00 0.00 C ATOM 880 C THR A 64 -10.649 -4.399 -4.077 1.00 0.00 C ATOM 881 O THR A 64 -10.260 -5.064 -3.118 1.00 0.00 O ATOM 882 CB THR A 64 -9.833 -4.574 -6.429 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.630 -5.980 -6.243 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.855 -4.049 -7.469 1.00 0.00 C ATOM 0 H THR A 64 -7.943 -4.894 -4.517 1.00 0.00 H new ATOM 0 HA THR A 64 -9.860 -2.774 -5.238 1.00 0.00 H new ATOM 0 HB THR A 64 -10.848 -4.397 -6.786 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.745 -6.443 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.998 -4.586 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.031 -2.985 -7.630 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.834 -4.199 -7.117 1.00 0.00 H new ATOM 892 N GLY A 65 -11.932 -4.129 -4.298 1.00 0.00 N ATOM 893 CA GLY A 65 -12.959 -4.618 -3.396 1.00 0.00 C ATOM 894 C GLY A 65 -12.887 -3.967 -2.029 1.00 0.00 C ATOM 895 O GLY A 65 -12.937 -4.650 -1.005 1.00 0.00 O ATOM 0 H GLY A 65 -12.279 -3.581 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.940 -4.432 -3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.858 -5.698 -3.287 1.00 0.00 H new ATOM 899 N LEU A 66 -12.768 -2.644 -2.011 1.00 0.00 N ATOM 900 CA LEU A 66 -12.688 -1.901 -0.758 1.00 0.00 C ATOM 901 C LEU A 66 -14.043 -1.302 -0.392 1.00 0.00 C ATOM 902 O LEU A 66 -14.791 -0.859 -1.263 1.00 0.00 O ATOM 903 CB LEU A 66 -11.640 -0.791 -0.867 1.00 0.00 C ATOM 904 CG LEU A 66 -10.183 -1.249 -0.931 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.335 -0.227 -1.673 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.635 -1.484 0.469 1.00 0.00 C ATOM 0 H LEU A 66 -12.725 -2.064 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.394 -2.595 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.855 -0.202 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.754 -0.126 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.142 -2.191 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.301 -0.570 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.713 -0.109 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.382 0.730 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.597 -1.810 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.690 -0.558 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.226 -2.253 0.967 1.00 0.00 H new ATOM 918 N GLN A 67 -14.350 -1.292 0.901 1.00 0.00 N ATOM 919 CA GLN A 67 -15.614 -0.747 1.381 1.00 0.00 C ATOM 920 C GLN A 67 -15.391 0.165 2.584 1.00 0.00 C ATOM 921 O GLN A 67 -14.333 0.133 3.213 1.00 0.00 O ATOM 922 CB GLN A 67 -16.573 -1.878 1.755 1.00 0.00 C ATOM 923 CG GLN A 67 -16.169 -2.627 3.015 1.00 0.00 C ATOM 924 CD GLN A 67 -17.150 -3.722 3.383 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.257 -4.735 2.690 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.874 -3.525 4.479 1.00 0.00 N ATOM 0 H GLN A 67 -13.741 -1.655 1.634 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.055 -0.158 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.572 -1.465 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.631 -2.583 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.180 -3.063 2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.090 -1.922 3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.753 -2.671 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.551 -4.228 4.776 1.00 0.00 H new ATOM 935 N VAL A 68 -16.395 0.978 2.898 1.00 0.00 N ATOM 936 CA VAL A 68 -16.309 1.898 4.025 1.00 0.00 C ATOM 937 C VAL A 68 -15.597 1.253 5.208 1.00 0.00 C ATOM 938 O VAL A 68 -16.114 0.323 5.826 1.00 0.00 O ATOM 939 CB VAL A 68 -17.706 2.367 4.474 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.597 3.300 5.670 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.436 3.044 3.324 1.00 0.00 C ATOM 0 H VAL A 68 -17.277 1.018 2.387 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.735 2.761 3.686 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.284 1.493 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.594 3.621 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.117 2.777 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.002 4.172 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.421 3.369 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.863 3.909 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.547 2.340 2.499 1.00 0.00 H new ATOM 951 N GLY A 69 -14.405 1.754 5.519 1.00 0.00 N ATOM 952 CA GLY A 69 -13.640 1.214 6.628 1.00 0.00 C ATOM 953 C GLY A 69 -12.190 1.655 6.601 1.00 0.00 C ATOM 954 O GLY A 69 -11.850 2.661 5.977 1.00 0.00 O ATOM 0 H GLY A 69 -13.956 2.524 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.095 1.529 7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.686 0.125 6.601 1.00 0.00 H new ATOM 958 N THR A 70 -11.331 0.902 7.282 1.00 0.00 N ATOM 959 CA THR A 70 -9.911 1.221 7.336 1.00 0.00 C ATOM 960 C THR A 70 -9.060 0.003 6.995 1.00 0.00 C ATOM 961 O THR A 70 -9.235 -1.070 7.574 1.00 0.00 O ATOM 962 CB THR A 70 -9.505 1.744 8.727 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.329 1.147 9.734 1.00 0.00 O ATOM 964 CG2 THR A 70 -9.631 3.259 8.793 1.00 0.00 C ATOM 0 H THR A 70 -11.595 0.066 7.804 1.00 0.00 H new ATOM 0 HA THR A 70 -9.735 2.002 6.597 1.00 0.00 H new ATOM 0 HB THR A 70 -8.464 1.474 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.064 1.483 10.615 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.339 3.606 9.784 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.980 3.711 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.664 3.547 8.598 1.00 0.00 H new ATOM 972 N TYR A 71 -8.138 0.175 6.054 1.00 0.00 N ATOM 973 CA TYR A 71 -7.261 -0.912 5.636 1.00 0.00 C ATOM 974 C TYR A 71 -5.797 -0.548 5.863 1.00 0.00 C ATOM 975 O TYR A 71 -5.287 0.414 5.289 1.00 0.00 O ATOM 976 CB TYR A 71 -7.492 -1.243 4.161 1.00 0.00 C ATOM 977 CG TYR A 71 -8.902 -1.697 3.856 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.931 -0.776 3.701 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.206 -3.046 3.724 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.221 -1.186 3.423 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.492 -3.465 3.445 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.496 -2.531 3.296 1.00 0.00 C ATOM 983 OH TYR A 71 -12.779 -2.945 3.019 1.00 0.00 O ATOM 0 H TYR A 71 -7.979 1.057 5.566 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.497 -1.788 6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.265 -0.363 3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.794 -2.024 3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.719 0.278 3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.423 -3.780 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.009 -0.457 3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.710 -4.518 3.344 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.802 -3.923 2.961 1.00 0.00 H new ATOM 993 N VAL A 72 -5.125 -1.326 6.706 1.00 0.00 N ATOM 994 CA VAL A 72 -3.719 -1.088 7.010 1.00 0.00 C ATOM 995 C VAL A 72 -2.817 -2.010 6.196 1.00 0.00 C ATOM 996 O VAL A 72 -2.738 -3.210 6.459 1.00 0.00 O ATOM 997 CB VAL A 72 -3.425 -1.294 8.508 1.00 0.00 C ATOM 998 CG1 VAL A 72 -1.990 -0.906 8.829 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.404 -0.497 9.356 1.00 0.00 C ATOM 0 H VAL A 72 -5.532 -2.126 7.190 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.510 -0.052 6.745 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.551 -2.351 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.801 -1.058 9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.307 -1.524 8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.832 0.143 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.182 -0.654 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.311 0.563 9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.421 -0.828 9.146 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.139 -1.441 5.205 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.242 -2.211 4.351 1.00 0.00 C ATOM 1011 C PHE A 73 0.216 -1.896 4.669 1.00 0.00 C ATOM 1012 O PHE A 73 0.639 -0.740 4.620 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.530 -1.918 2.877 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.970 -2.112 2.498 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.446 -3.367 2.154 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.848 -1.040 2.484 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.771 -3.550 1.804 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.174 -1.217 2.135 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.636 -2.473 1.794 1.00 0.00 C ATOM 0 H PHE A 73 -2.194 -0.449 4.973 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.417 -3.269 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.239 -0.891 2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.909 -2.566 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.774 -4.212 2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.492 -0.055 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.129 -4.534 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.848 -0.373 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.671 -2.613 1.520 1.00 0.00 H new ATOM 1029 N THR A 74 0.982 -2.932 4.995 1.00 0.00 N ATOM 1030 CA THR A 74 2.393 -2.767 5.323 1.00 0.00 C ATOM 1031 C THR A 74 3.281 -3.200 4.162 1.00 0.00 C ATOM 1032 O THR A 74 3.134 -4.302 3.632 1.00 0.00 O ATOM 1033 CB THR A 74 2.777 -3.575 6.577 1.00 0.00 C ATOM 1034 OG1 THR A 74 2.068 -3.075 7.717 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.275 -3.500 6.832 1.00 0.00 C ATOM 0 H THR A 74 0.649 -3.895 5.039 1.00 0.00 H new ATOM 0 HA THR A 74 2.549 -1.707 5.521 1.00 0.00 H new ATOM 0 HB THR A 74 2.506 -4.617 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.606 -3.215 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.522 -4.078 7.722 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.811 -3.907 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.567 -2.461 6.982 1.00 0.00 H new ATOM 1043 N LEU A 75 4.203 -2.327 3.772 1.00 0.00 N ATOM 1044 CA LEU A 75 5.117 -2.620 2.673 1.00 0.00 C ATOM 1045 C LEU A 75 6.500 -2.991 3.199 1.00 0.00 C ATOM 1046 O LEU A 75 7.275 -2.125 3.605 1.00 0.00 O ATOM 1047 CB LEU A 75 5.222 -1.416 1.736 1.00 0.00 C ATOM 1048 CG LEU A 75 6.460 -1.367 0.840 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.298 -2.305 -0.346 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.721 0.055 0.367 1.00 0.00 C ATOM 0 H LEU A 75 4.338 -1.411 4.200 1.00 0.00 H new ATOM 0 HA LEU A 75 4.719 -3.470 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.337 -1.398 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.199 -0.509 2.339 1.00 0.00 H new ATOM 0 HG LEU A 75 7.320 -1.697 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.189 -2.257 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.162 -3.325 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.427 -2.006 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.606 0.070 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.861 0.414 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.883 0.701 1.230 1.00 0.00 H new ATOM 1062 N THR A 76 6.805 -4.285 3.187 1.00 0.00 N ATOM 1063 CA THR A 76 8.094 -4.771 3.662 1.00 0.00 C ATOM 1064 C THR A 76 9.146 -4.705 2.560 1.00 0.00 C ATOM 1065 O THR A 76 9.045 -5.400 1.549 1.00 0.00 O ATOM 1066 CB THR A 76 7.994 -6.220 4.174 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.754 -6.412 4.864 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.153 -6.546 5.105 1.00 0.00 C ATOM 0 H THR A 76 6.176 -5.015 2.853 1.00 0.00 H new ATOM 0 HA THR A 76 8.393 -4.122 4.486 1.00 0.00 H new ATOM 0 HB THR A 76 8.039 -6.889 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.698 -7.336 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.061 -7.575 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.095 -6.427 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.134 -5.870 5.960 1.00 0.00 H new ATOM 1076 N VAL A 77 10.156 -3.866 2.763 1.00 0.00 N ATOM 1077 CA VAL A 77 11.229 -3.710 1.787 1.00 0.00 C ATOM 1078 C VAL A 77 12.588 -3.997 2.415 1.00 0.00 C ATOM 1079 O VAL A 77 12.861 -3.591 3.544 1.00 0.00 O ATOM 1080 CB VAL A 77 11.241 -2.292 1.188 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.163 -2.152 0.124 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.060 -1.250 2.282 1.00 0.00 C ATOM 0 H VAL A 77 10.254 -3.283 3.594 1.00 0.00 H new ATOM 0 HA VAL A 77 11.041 -4.430 0.991 1.00 0.00 H new ATOM 0 HB VAL A 77 12.209 -2.125 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.187 -1.143 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.343 -2.874 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.186 -2.339 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.071 -0.253 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.107 -1.413 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.872 -1.336 3.004 1.00 0.00 H new ATOM 1092 N LYS A 78 13.439 -4.699 1.674 1.00 0.00 N ATOM 1093 CA LYS A 78 14.773 -5.039 2.155 1.00 0.00 C ATOM 1094 C LYS A 78 15.847 -4.397 1.283 1.00 0.00 C ATOM 1095 O LYS A 78 15.596 -4.049 0.129 1.00 0.00 O ATOM 1096 CB LYS A 78 14.958 -6.558 2.175 1.00 0.00 C ATOM 1097 CG LYS A 78 14.536 -7.206 3.482 1.00 0.00 C ATOM 1098 CD LYS A 78 14.618 -8.721 3.407 1.00 0.00 C ATOM 1099 CE LYS A 78 13.328 -9.323 2.870 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.324 -10.808 2.975 1.00 0.00 N ATOM 0 H LYS A 78 13.228 -5.044 0.737 1.00 0.00 H new ATOM 0 HA LYS A 78 14.875 -4.653 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.382 -6.996 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.006 -6.790 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.173 -6.846 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.516 -6.908 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.450 -9.010 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.824 -9.125 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.480 -8.917 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.198 -9.032 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.429 -11.180 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.118 -11.197 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.423 -11.086 3.972 1.00 0.00 H new ATOM 1114 N ASP A 79 17.042 -4.245 1.841 1.00 0.00 N ATOM 1115 CA ASP A 79 18.155 -3.646 1.113 1.00 0.00 C ATOM 1116 C ASP A 79 19.283 -4.655 0.920 1.00 0.00 C ATOM 1117 O ASP A 79 19.162 -5.817 1.307 1.00 0.00 O ATOM 1118 CB ASP A 79 18.676 -2.416 1.856 1.00 0.00 C ATOM 1119 CG ASP A 79 19.737 -2.765 2.882 1.00 0.00 C ATOM 1120 OD1 ASP A 79 19.690 -3.889 3.425 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.613 -1.915 3.142 1.00 0.00 O ATOM 0 H ASP A 79 17.266 -4.528 2.795 1.00 0.00 H new ATOM 0 HA ASP A 79 17.793 -3.340 0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.089 -1.709 1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.845 -1.916 2.353 1.00 0.00 H new ATOM 1126 N GLU A 80 20.379 -4.202 0.319 1.00 0.00 N ATOM 1127 CA GLU A 80 21.527 -5.067 0.074 1.00 0.00 C ATOM 1128 C GLU A 80 21.991 -5.735 1.365 1.00 0.00 C ATOM 1129 O GLU A 80 22.455 -6.876 1.354 1.00 0.00 O ATOM 1130 CB GLU A 80 22.677 -4.264 -0.539 1.00 0.00 C ATOM 1131 CG GLU A 80 22.290 -3.516 -1.804 1.00 0.00 C ATOM 1132 CD GLU A 80 23.188 -2.324 -2.075 1.00 0.00 C ATOM 1133 OE1 GLU A 80 23.676 -1.714 -1.100 1.00 0.00 O ATOM 1134 OE2 GLU A 80 23.404 -2.003 -3.262 1.00 0.00 O ATOM 0 H GLU A 80 20.496 -3.242 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 80 21.221 -5.844 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 80 23.043 -3.549 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.502 -4.940 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.333 -4.199 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.258 -3.177 -1.719 1.00 0.00 H new ATOM 1141 N ARG A 81 21.863 -5.016 2.475 1.00 0.00 N ATOM 1142 CA ARG A 81 22.270 -5.538 3.774 1.00 0.00 C ATOM 1143 C ARG A 81 21.130 -6.310 4.432 1.00 0.00 C ATOM 1144 O ARG A 81 21.033 -6.368 5.657 1.00 0.00 O ATOM 1145 CB ARG A 81 22.722 -4.397 4.687 1.00 0.00 C ATOM 1146 CG ARG A 81 24.198 -4.059 4.556 1.00 0.00 C ATOM 1147 CD ARG A 81 25.051 -4.925 5.469 1.00 0.00 C ATOM 1148 NE ARG A 81 26.395 -5.125 4.935 1.00 0.00 N ATOM 1149 CZ ARG A 81 27.333 -5.837 5.551 1.00 0.00 C ATOM 1150 NH1 ARG A 81 27.072 -6.415 6.716 1.00 0.00 N ATOM 1151 NH2 ARG A 81 28.533 -5.973 5.002 1.00 0.00 N ATOM 0 H ARG A 81 21.481 -4.071 2.501 1.00 0.00 H new ATOM 0 HA ARG A 81 23.105 -6.221 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.133 -3.508 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.510 -4.666 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.514 -4.198 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.355 -3.008 4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 81 25.117 -4.459 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.568 -5.892 5.606 1.00 0.00 H new ATOM 0 HE ARG A 81 26.627 -4.695 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 81 26.150 -6.313 7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 81 27.793 -6.961 7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 81 28.737 -5.531 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 81 29.252 -6.520 5.476 1.00 0.00 H new ATOM 1165 N ASN A 82 20.269 -6.899 3.609 1.00 0.00 N ATOM 1166 CA ASN A 82 19.135 -7.666 4.110 1.00 0.00 C ATOM 1167 C ASN A 82 18.440 -6.927 5.250 1.00 0.00 C ATOM 1168 O ASN A 82 17.817 -7.543 6.116 1.00 0.00 O ATOM 1169 CB ASN A 82 19.596 -9.044 4.588 1.00 0.00 C ATOM 1170 CG ASN A 82 18.469 -10.059 4.600 1.00 0.00 C ATOM 1171 OD1 ASN A 82 18.065 -10.544 5.657 1.00 0.00 O ATOM 1172 ND2 ASN A 82 17.955 -10.386 3.419 1.00 0.00 N ATOM 0 H ASN A 82 20.335 -6.860 2.592 1.00 0.00 H new ATOM 0 HA ASN A 82 18.424 -7.791 3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.396 -9.401 3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.013 -8.957 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.195 -11.064 3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.321 -9.959 2.568 1.00 0.00 H new ATOM 1179 N LEU A 83 18.549 -5.603 5.242 1.00 0.00 N ATOM 1180 CA LEU A 83 17.930 -4.778 6.274 1.00 0.00 C ATOM 1181 C LEU A 83 16.409 -4.871 6.206 1.00 0.00 C ATOM 1182 O LEU A 83 15.812 -4.659 5.151 1.00 0.00 O ATOM 1183 CB LEU A 83 18.371 -3.321 6.123 1.00 0.00 C ATOM 1184 CG LEU A 83 19.856 -3.042 6.356 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.247 -1.700 5.757 1.00 0.00 C ATOM 1186 CD2 LEU A 83 20.179 -3.079 7.843 1.00 0.00 C ATOM 0 H LEU A 83 19.060 -5.078 4.533 1.00 0.00 H new ATOM 0 HA LEU A 83 18.255 -5.150 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.112 -2.986 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.794 -2.713 6.820 1.00 0.00 H new ATOM 0 HG LEU A 83 20.435 -3.821 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.307 -1.518 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.053 -1.710 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.661 -0.908 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.240 -2.878 7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.591 -2.322 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.937 -4.063 8.243 1.00 0.00 H new ATOM 1198 N GLN A 84 15.790 -5.187 7.339 1.00 0.00 N ATOM 1199 CA GLN A 84 14.338 -5.305 7.407 1.00 0.00 C ATOM 1200 C GLN A 84 13.698 -3.965 7.754 1.00 0.00 C ATOM 1201 O GLN A 84 14.072 -3.323 8.735 1.00 0.00 O ATOM 1202 CB GLN A 84 13.939 -6.358 8.444 1.00 0.00 C ATOM 1203 CG GLN A 84 12.556 -6.944 8.215 1.00 0.00 C ATOM 1204 CD GLN A 84 11.908 -7.429 9.496 1.00 0.00 C ATOM 1205 OE1 GLN A 84 12.561 -7.531 10.535 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.617 -7.731 9.430 1.00 0.00 N ATOM 0 H GLN A 84 16.270 -5.366 8.221 1.00 0.00 H new ATOM 0 HA GLN A 84 13.978 -5.615 6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.673 -7.164 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.975 -5.910 9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.918 -6.190 7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.629 -7.774 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.114 -7.632 8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.128 -8.062 10.261 1.00 0.00 H new ATOM 1215 N SER A 85 12.731 -3.549 6.942 1.00 0.00 N ATOM 1216 CA SER A 85 12.042 -2.283 7.161 1.00 0.00 C ATOM 1217 C SER A 85 10.706 -2.257 6.424 1.00 0.00 C ATOM 1218 O SER A 85 10.646 -2.498 5.219 1.00 0.00 O ATOM 1219 CB SER A 85 12.915 -1.116 6.697 1.00 0.00 C ATOM 1220 OG SER A 85 14.008 -0.915 7.576 1.00 0.00 O ATOM 0 H SER A 85 12.407 -4.070 6.127 1.00 0.00 H new ATOM 0 HA SER A 85 11.850 -2.182 8.229 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.285 -1.312 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.315 -0.208 6.644 1.00 0.00 H new ATOM 0 HG SER A 85 13.974 -1.577 8.297 1.00 0.00 H new ATOM 1226 N GLN A 86 9.638 -1.964 7.159 1.00 0.00 N ATOM 1227 CA GLN A 86 8.302 -1.907 6.576 1.00 0.00 C ATOM 1228 C GLN A 86 7.534 -0.695 7.091 1.00 0.00 C ATOM 1229 O GLN A 86 7.830 -0.170 8.165 1.00 0.00 O ATOM 1230 CB GLN A 86 7.530 -3.189 6.894 1.00 0.00 C ATOM 1231 CG GLN A 86 7.156 -3.325 8.361 1.00 0.00 C ATOM 1232 CD GLN A 86 6.986 -4.770 8.788 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.948 -5.151 9.331 1.00 0.00 O ATOM 1234 NE2 GLN A 86 8.007 -5.583 8.545 1.00 0.00 N ATOM 0 H GLN A 86 9.671 -1.763 8.158 1.00 0.00 H new ATOM 0 HA GLN A 86 8.408 -1.813 5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.622 -3.215 6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.132 -4.049 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.927 -2.857 8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.229 -2.783 8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.848 -5.224 8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.950 -6.566 8.810 1.00 0.00 H new ATOM 1243 N SER A 87 6.546 -0.254 6.319 1.00 0.00 N ATOM 1244 CA SER A 87 5.738 0.899 6.695 1.00 0.00 C ATOM 1245 C SER A 87 4.260 0.642 6.415 1.00 0.00 C ATOM 1246 O SER A 87 3.902 0.085 5.378 1.00 0.00 O ATOM 1247 CB SER A 87 6.203 2.144 5.937 1.00 0.00 C ATOM 1248 OG SER A 87 5.432 3.278 6.295 1.00 0.00 O ATOM 0 H SER A 87 6.286 -0.678 5.429 1.00 0.00 H new ATOM 0 HA SER A 87 5.864 1.066 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.255 2.333 6.153 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.124 1.971 4.864 1.00 0.00 H new ATOM 0 HG SER A 87 5.750 4.060 5.798 1.00 0.00 H new ATOM 1254 N SER A 88 3.407 1.052 7.348 1.00 0.00 N ATOM 1255 CA SER A 88 1.968 0.864 7.205 1.00 0.00 C ATOM 1256 C SER A 88 1.294 2.153 6.748 1.00 0.00 C ATOM 1257 O SER A 88 1.740 3.252 7.079 1.00 0.00 O ATOM 1258 CB SER A 88 1.359 0.398 8.529 1.00 0.00 C ATOM 1259 OG SER A 88 1.771 1.230 9.600 1.00 0.00 O ATOM 0 H SER A 88 3.688 1.517 8.212 1.00 0.00 H new ATOM 0 HA SER A 88 1.800 0.099 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.272 0.406 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.658 -0.631 8.728 1.00 0.00 H new ATOM 0 HG SER A 88 1.367 0.913 10.435 1.00 0.00 H new ATOM 1265 N VAL A 89 0.216 2.011 5.983 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.522 3.164 5.480 1.00 0.00 C ATOM 1267 C VAL A 89 -2.003 3.061 5.824 1.00 0.00 C ATOM 1268 O VAL A 89 -2.605 1.994 5.706 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.369 3.305 3.954 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.756 2.011 3.256 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.205 4.468 3.441 1.00 0.00 C ATOM 0 H VAL A 89 -0.166 1.109 5.698 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.101 4.046 5.963 1.00 0.00 H new ATOM 0 HB VAL A 89 0.677 3.511 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.641 2.130 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.111 1.204 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.794 1.770 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.085 4.554 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.255 4.294 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.875 5.391 3.917 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.585 4.177 6.249 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.998 4.213 6.610 1.00 0.00 C ATOM 1283 C ASN A 90 -4.865 4.495 5.388 1.00 0.00 C ATOM 1284 O ASN A 90 -4.847 5.598 4.841 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.245 5.277 7.682 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.863 4.800 9.069 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -2.873 5.254 9.644 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.650 3.880 9.615 1.00 0.00 N ATOM 0 H ASN A 90 -2.101 5.069 6.352 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.271 3.236 7.008 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.674 6.173 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.298 5.558 7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.444 3.521 10.547 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.460 3.532 9.102 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.626 3.491 4.964 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.502 3.630 3.807 1.00 0.00 C ATOM 1297 C VAL A 91 -7.957 3.783 4.235 1.00 0.00 C ATOM 1298 O VAL A 91 -8.595 2.818 4.656 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.380 2.421 2.861 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.336 2.563 1.687 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.947 2.266 2.377 1.00 0.00 C ATOM 0 H VAL A 91 -5.653 2.572 5.405 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.186 4.529 3.277 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.652 1.521 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.236 1.699 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.360 2.621 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.099 3.471 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.879 1.407 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.644 3.166 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.289 2.114 3.232 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.476 5.001 4.123 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.857 5.279 4.497 1.00 0.00 C ATOM 1313 C ILE A 92 -10.756 5.350 3.268 1.00 0.00 C ATOM 1314 O ILE A 92 -10.424 6.004 2.279 1.00 0.00 O ATOM 1315 CB ILE A 92 -9.973 6.600 5.281 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.233 6.494 6.615 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.435 6.956 5.506 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.681 7.814 7.107 1.00 0.00 C ATOM 0 H ILE A 92 -7.961 5.811 3.776 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.182 4.457 5.135 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.512 7.395 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.912 6.091 7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.413 5.783 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.500 7.892 6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.934 7.069 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.919 6.162 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.169 7.663 8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.977 8.210 6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.498 8.522 7.244 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.899 4.673 3.337 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.848 4.661 2.230 1.00 0.00 C ATOM 1332 C VAL A 93 -14.176 5.287 2.639 1.00 0.00 C ATOM 1333 O VAL A 93 -14.778 4.897 3.640 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.102 3.229 1.724 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.277 3.204 0.759 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.851 2.665 1.069 1.00 0.00 C ATOM 0 H VAL A 93 -12.189 4.126 4.148 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.405 5.249 1.426 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.351 2.600 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.441 2.184 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.172 3.563 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.061 3.847 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.049 1.652 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.568 3.293 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.038 2.644 1.795 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.631 6.261 1.858 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.890 6.942 2.136 1.00 0.00 C ATOM 1348 C LYS A 94 -16.909 6.672 1.035 1.00 0.00 C ATOM 1349 O LYS A 94 -16.583 6.080 0.006 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.659 8.449 2.274 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.945 8.840 3.556 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.358 10.239 3.463 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.735 10.670 4.782 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.331 10.192 4.916 1.00 0.00 N ATOM 0 H LYS A 94 -14.146 6.597 1.026 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.285 6.554 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.075 8.798 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.621 8.961 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.643 8.792 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.150 8.124 3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.604 10.267 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.139 10.945 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.757 11.757 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.331 10.283 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.143 9.940 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.190 9.356 4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.678 10.946 4.621 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.144 7.111 1.257 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.211 6.916 0.282 1.00 0.00 C ATOM 1370 C GLU A 95 -19.316 8.115 -0.656 1.00 0.00 C ATOM 1371 O GLU A 95 -18.901 9.222 -0.314 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.547 6.692 0.992 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.618 5.380 1.756 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.802 5.319 2.702 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.946 5.492 2.233 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -21.583 5.098 3.911 1.00 0.00 O ATOM 0 H GLU A 95 -18.430 7.604 2.103 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.970 6.033 -0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.724 7.516 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.349 6.717 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.681 4.554 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.697 5.244 2.323 1.00 0.00 H new