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=-0.025) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 27:sc= -0.578 USER MOD Set 2.2: A 74 THR OG1 : rot -150:sc= -0.0157 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -0.118 USER MOD Single : A 25 THR OG1 : rot 29:sc= 0.151 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+ -116:sc= -3.94! (180deg=-7.02!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0866 X(o=-0.087,f=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 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= 0.122 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= -0.102 K(o=-0.1,f=-0.99) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -143:sc= 0.251 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0711 K(o=-0.071,f=-1.5!) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000823) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.791 3.431 3.206 1.00 0.00 N ATOM 106 CA ALA A 11 4.627 2.950 2.473 1.00 0.00 C ATOM 107 C ALA A 11 3.884 4.103 1.806 1.00 0.00 C ATOM 108 O ALA A 11 3.361 3.961 0.702 1.00 0.00 O ATOM 109 CB ALA A 11 3.695 2.188 3.404 1.00 0.00 C ATOM 0 HA ALA A 11 4.974 2.274 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.830 1.834 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.224 1.336 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.363 2.847 4.206 1.00 0.00 H new ATOM 115 N GLY A 12 3.842 5.246 2.485 1.00 0.00 N ATOM 116 CA GLY A 12 3.160 6.406 1.942 1.00 0.00 C ATOM 117 C GLY A 12 2.157 6.997 2.913 1.00 0.00 C ATOM 118 O GLY A 12 1.828 6.400 3.938 1.00 0.00 O ATOM 0 H GLY A 12 4.268 5.389 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.896 7.165 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.648 6.125 1.022 1.00 0.00 H new ATOM 122 N PRO A 13 1.655 8.199 2.594 1.00 0.00 N ATOM 123 CA PRO A 13 0.677 8.897 3.434 1.00 0.00 C ATOM 124 C PRO A 13 -0.687 8.215 3.424 1.00 0.00 C ATOM 125 O PRO A 13 -0.939 7.320 2.617 1.00 0.00 O ATOM 126 CB PRO A 13 0.586 10.284 2.793 1.00 0.00 C ATOM 127 CG PRO A 13 0.981 10.072 1.373 1.00 0.00 C ATOM 128 CD PRO A 13 2.002 8.968 1.387 1.00 0.00 C ATOM 0 HA PRO A 13 0.978 8.915 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.423 10.689 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.251 10.993 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.119 9.798 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.398 10.983 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.943 8.354 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.018 9.360 1.438 1.00 0.00 H new ATOM 136 N ASP A 14 -1.563 8.644 4.326 1.00 0.00 N ATOM 137 CA ASP A 14 -2.903 8.075 4.420 1.00 0.00 C ATOM 138 C ASP A 14 -3.593 8.082 3.060 1.00 0.00 C ATOM 139 O ASP A 14 -3.148 8.754 2.129 1.00 0.00 O ATOM 140 CB ASP A 14 -3.741 8.855 5.435 1.00 0.00 C ATOM 141 CG ASP A 14 -5.218 8.847 5.094 1.00 0.00 C ATOM 142 OD1 ASP A 14 -5.925 7.919 5.541 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.667 9.768 4.382 1.00 0.00 O ATOM 0 H ASP A 14 -1.370 9.383 5.002 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.810 7.042 4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.598 8.426 6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.387 9.885 5.479 1.00 0.00 H new ATOM 148 N LYS A 15 -4.683 7.330 2.951 1.00 0.00 N ATOM 149 CA LYS A 15 -5.436 7.248 1.705 1.00 0.00 C ATOM 150 C LYS A 15 -6.921 7.499 1.949 1.00 0.00 C ATOM 151 O LYS A 15 -7.503 6.964 2.892 1.00 0.00 O ATOM 152 CB LYS A 15 -5.240 5.877 1.055 1.00 0.00 C ATOM 153 CG LYS A 15 -3.798 5.582 0.680 1.00 0.00 C ATOM 154 CD LYS A 15 -3.483 6.050 -0.731 1.00 0.00 C ATOM 155 CE LYS A 15 -2.006 6.376 -0.893 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.719 7.013 -2.208 1.00 0.00 N ATOM 0 H LYS A 15 -5.065 6.768 3.712 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.061 8.019 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.594 5.106 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.859 5.817 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.129 6.075 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.612 4.511 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.766 5.276 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.079 6.932 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.691 7.043 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.420 5.462 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.702 7.219 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.996 6.367 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.258 7.898 -2.290 1.00 0.00 H new ATOM 170 N GLU A 16 -7.527 8.316 1.093 1.00 0.00 N ATOM 171 CA GLU A 16 -8.944 8.636 1.217 1.00 0.00 C ATOM 172 C GLU A 16 -9.653 8.498 -0.127 1.00 0.00 C ATOM 173 O GLU A 16 -9.520 9.354 -1.003 1.00 0.00 O ATOM 174 CB GLU A 16 -9.123 10.057 1.757 1.00 0.00 C ATOM 175 CG GLU A 16 -10.409 10.252 2.543 1.00 0.00 C ATOM 176 CD GLU A 16 -10.542 11.654 3.106 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.880 11.948 4.123 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.306 12.455 2.530 1.00 0.00 O ATOM 0 H GLU A 16 -7.059 8.768 0.307 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.390 7.930 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.275 10.303 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.107 10.758 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.261 10.042 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.444 9.532 3.360 1.00 0.00 H new ATOM 185 N LEU A 17 -10.405 7.414 -0.283 1.00 0.00 N ATOM 186 CA LEU A 17 -11.136 7.162 -1.521 1.00 0.00 C ATOM 187 C LEU A 17 -12.623 7.447 -1.343 1.00 0.00 C ATOM 188 O LEU A 17 -13.140 7.436 -0.225 1.00 0.00 O ATOM 189 CB LEU A 17 -10.932 5.714 -1.970 1.00 0.00 C ATOM 190 CG LEU A 17 -9.487 5.216 -1.998 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.445 3.697 -1.971 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.763 5.750 -3.226 1.00 0.00 C ATOM 0 H LEU A 17 -10.525 6.696 0.431 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.746 7.832 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.506 5.065 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.353 5.602 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.977 5.588 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.408 3.361 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.925 3.336 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.971 3.303 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.736 5.386 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.273 5.408 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.761 6.840 -3.202 1.00 0.00 H new ATOM 204 N THR A 18 -13.309 7.702 -2.453 1.00 0.00 N ATOM 205 CA THR A 18 -14.737 7.988 -2.421 1.00 0.00 C ATOM 206 C THR A 18 -15.481 7.199 -3.492 1.00 0.00 C ATOM 207 O THR A 18 -15.217 7.349 -4.685 1.00 0.00 O ATOM 208 CB THR A 18 -15.013 9.490 -2.622 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.120 10.265 -1.814 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.453 9.829 -2.264 1.00 0.00 C ATOM 0 H THR A 18 -12.897 7.716 -3.386 1.00 0.00 H new ATOM 0 HA THR A 18 -15.097 7.688 -1.437 1.00 0.00 H new ATOM 0 HB THR A 18 -14.851 9.729 -3.673 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.301 11.219 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.624 10.895 -2.414 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.130 9.260 -2.901 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.638 9.575 -1.220 1.00 0.00 H new ATOM 218 N LEU A 19 -16.414 6.357 -3.059 1.00 0.00 N ATOM 219 CA LEU A 19 -17.198 5.543 -3.981 1.00 0.00 C ATOM 220 C LEU A 19 -17.677 6.374 -5.168 1.00 0.00 C ATOM 221 O LEU A 19 -17.768 7.600 -5.102 1.00 0.00 O ATOM 222 CB LEU A 19 -18.396 4.928 -3.257 1.00 0.00 C ATOM 223 CG LEU A 19 -18.125 3.634 -2.489 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.748 2.514 -3.446 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.027 3.847 -1.457 1.00 0.00 C ATOM 0 H LEU A 19 -16.646 6.221 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.559 4.743 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.790 5.666 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.178 4.734 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 19 -19.037 3.346 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.559 1.601 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.565 2.344 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.849 2.793 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.847 2.916 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.111 4.159 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.335 4.619 -0.752 1.00 0.00 H new ATOM 237 N PRO A 20 -17.994 5.692 -6.278 1.00 0.00 N ATOM 238 CA PRO A 20 -17.889 4.232 -6.368 1.00 0.00 C ATOM 239 C PRO A 20 -16.441 3.754 -6.369 1.00 0.00 C ATOM 240 O PRO A 20 -16.173 2.554 -6.319 1.00 0.00 O ATOM 241 CB PRO A 20 -18.559 3.910 -7.706 1.00 0.00 C ATOM 242 CG PRO A 20 -18.413 5.154 -8.512 1.00 0.00 C ATOM 243 CD PRO A 20 -18.478 6.293 -7.532 1.00 0.00 C ATOM 0 HA PRO A 20 -18.351 3.737 -5.514 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.079 3.063 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.608 3.647 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.467 5.159 -9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.207 5.233 -9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.852 7.129 -7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.493 6.676 -7.428 1.00 0.00 H new ATOM 251 N VAL A 21 -15.509 4.701 -6.426 1.00 0.00 N ATOM 252 CA VAL A 21 -14.088 4.377 -6.432 1.00 0.00 C ATOM 253 C VAL A 21 -13.751 3.364 -5.343 1.00 0.00 C ATOM 254 O VAL A 21 -13.566 3.725 -4.181 1.00 0.00 O ATOM 255 CB VAL A 21 -13.224 5.636 -6.232 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.746 5.288 -6.319 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.591 6.701 -7.255 1.00 0.00 C ATOM 0 H VAL A 21 -15.714 5.699 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.866 3.945 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.420 6.037 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.151 6.190 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.497 4.562 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.529 4.863 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.971 7.584 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.424 6.313 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.641 6.970 -7.139 1.00 0.00 H new ATOM 267 N ASP A 22 -13.672 2.095 -5.728 1.00 0.00 N ATOM 268 CA ASP A 22 -13.356 1.029 -4.784 1.00 0.00 C ATOM 269 C ASP A 22 -12.022 0.375 -5.131 1.00 0.00 C ATOM 270 O ASP A 22 -11.875 -0.844 -5.042 1.00 0.00 O ATOM 271 CB ASP A 22 -14.467 -0.022 -4.778 1.00 0.00 C ATOM 272 CG ASP A 22 -14.704 -0.623 -6.150 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.770 -1.250 -6.693 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.823 -0.466 -6.680 1.00 0.00 O ATOM 0 H ASP A 22 -13.822 1.779 -6.686 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.278 1.469 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.209 -0.816 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.391 0.432 -4.419 1.00 0.00 H new ATOM 279 N SER A 23 -11.053 1.193 -5.528 1.00 0.00 N ATOM 280 CA SER A 23 -9.732 0.694 -5.893 1.00 0.00 C ATOM 281 C SER A 23 -8.688 1.802 -5.802 1.00 0.00 C ATOM 282 O SER A 23 -8.927 2.934 -6.226 1.00 0.00 O ATOM 283 CB SER A 23 -9.756 0.115 -7.309 1.00 0.00 C ATOM 284 OG SER A 23 -9.725 1.145 -8.282 1.00 0.00 O ATOM 0 H SER A 23 -11.158 2.205 -5.605 1.00 0.00 H new ATOM 0 HA SER A 23 -9.462 -0.094 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.902 -0.547 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.653 -0.489 -7.443 1.00 0.00 H new ATOM 0 HG SER A 23 -9.739 0.749 -9.178 1.00 0.00 H new ATOM 290 N THR A 24 -7.527 1.469 -5.246 1.00 0.00 N ATOM 291 CA THR A 24 -6.446 2.435 -5.098 1.00 0.00 C ATOM 292 C THR A 24 -5.097 1.804 -5.421 1.00 0.00 C ATOM 293 O THR A 24 -5.003 0.598 -5.655 1.00 0.00 O ATOM 294 CB THR A 24 -6.401 3.013 -3.671 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.594 4.196 -3.647 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.842 1.992 -2.691 1.00 0.00 C ATOM 0 H THR A 24 -7.312 0.537 -4.891 1.00 0.00 H new ATOM 0 HA THR A 24 -6.645 3.242 -5.803 1.00 0.00 H new ATOM 0 HB THR A 24 -7.419 3.262 -3.371 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.572 4.558 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.820 2.423 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.475 1.104 -2.690 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.831 1.717 -2.990 1.00 0.00 H new ATOM 304 N THR A 25 -4.051 2.625 -5.432 1.00 0.00 N ATOM 305 CA THR A 25 -2.707 2.147 -5.727 1.00 0.00 C ATOM 306 C THR A 25 -1.741 2.488 -4.598 1.00 0.00 C ATOM 307 O THR A 25 -1.637 3.644 -4.185 1.00 0.00 O ATOM 308 CB THR A 25 -2.173 2.747 -7.042 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.208 4.177 -6.978 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.995 2.266 -8.228 1.00 0.00 C ATOM 0 H THR A 25 -4.110 3.625 -5.240 1.00 0.00 H new ATOM 0 HA THR A 25 -2.773 1.064 -5.830 1.00 0.00 H new ATOM 0 HB THR A 25 -1.143 2.416 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.101 4.466 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.600 2.702 -9.145 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.942 1.179 -8.291 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.033 2.571 -8.099 1.00 0.00 H new ATOM 318 N LEU A 26 -1.037 1.477 -4.102 1.00 0.00 N ATOM 319 CA LEU A 26 -0.079 1.671 -3.019 1.00 0.00 C ATOM 320 C LEU A 26 1.353 1.565 -3.534 1.00 0.00 C ATOM 321 O LEU A 26 1.946 0.486 -3.533 1.00 0.00 O ATOM 322 CB LEU A 26 -0.313 0.639 -1.914 1.00 0.00 C ATOM 323 CG LEU A 26 -1.745 0.531 -1.389 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.959 -0.805 -0.695 1.00 0.00 C ATOM 325 CD2 LEU A 26 -2.055 1.681 -0.444 1.00 0.00 C ATOM 0 H LEU A 26 -1.111 0.515 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.226 2.671 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.010 -0.339 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.343 0.878 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.428 0.590 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.984 -0.864 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.779 -1.615 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.268 -0.895 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.078 1.587 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.366 1.654 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.943 2.627 -0.973 1.00 0.00 H new ATOM 337 N ASP A 27 1.903 2.692 -3.972 1.00 0.00 N ATOM 338 CA ASP A 27 3.267 2.727 -4.487 1.00 0.00 C ATOM 339 C ASP A 27 4.260 3.046 -3.373 1.00 0.00 C ATOM 340 O ASP A 27 4.061 3.980 -2.599 1.00 0.00 O ATOM 341 CB ASP A 27 3.386 3.764 -5.605 1.00 0.00 C ATOM 342 CG ASP A 27 3.512 5.178 -5.073 1.00 0.00 C ATOM 343 OD1 ASP A 27 2.470 5.786 -4.751 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.653 5.677 -4.978 1.00 0.00 O ATOM 0 H ASP A 27 1.426 3.593 -3.981 1.00 0.00 H new ATOM 0 HA ASP A 27 3.503 1.742 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.255 3.532 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.511 3.699 -6.251 1.00 0.00 H new ATOM 349 N GLY A 28 5.331 2.260 -3.299 1.00 0.00 N ATOM 350 CA GLY A 28 6.338 2.474 -2.277 1.00 0.00 C ATOM 351 C GLY A 28 7.717 2.705 -2.861 1.00 0.00 C ATOM 352 O GLY A 28 8.718 2.249 -2.309 1.00 0.00 O ATOM 0 H GLY A 28 5.518 1.480 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.056 3.333 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.368 1.609 -1.614 1.00 0.00 H new ATOM 493 N ILE A 38 15.881 -4.609 -3.344 1.00 0.00 N ATOM 494 CA ILE A 38 15.709 -5.721 -4.271 1.00 0.00 C ATOM 495 C ILE A 38 14.599 -6.657 -3.807 1.00 0.00 C ATOM 496 O ILE A 38 14.602 -7.846 -4.127 1.00 0.00 O ATOM 497 CB ILE A 38 17.012 -6.526 -4.431 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.545 -6.953 -3.062 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.053 -5.707 -5.179 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.479 -8.141 -3.120 1.00 0.00 C ATOM 0 HA ILE A 38 15.437 -5.290 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 38 16.798 -7.423 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 38 18.068 -6.112 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.703 -7.194 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.968 -6.290 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.672 -5.449 -6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.266 -4.794 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.817 -8.387 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 38 17.954 -8.996 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.340 -7.897 -3.743 1.00 0.00 H new ATOM 512 N SER A 39 13.650 -6.113 -3.053 1.00 0.00 N ATOM 513 CA SER A 39 12.533 -6.900 -2.543 1.00 0.00 C ATOM 514 C SER A 39 11.323 -6.013 -2.268 1.00 0.00 C ATOM 515 O SER A 39 11.463 -4.874 -1.822 1.00 0.00 O ATOM 516 CB SER A 39 12.942 -7.635 -1.265 1.00 0.00 C ATOM 517 OG SER A 39 12.082 -8.732 -1.010 1.00 0.00 O ATOM 0 H SER A 39 13.632 -5.130 -2.781 1.00 0.00 H new ATOM 0 HA SER A 39 12.259 -7.631 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.969 -7.988 -1.358 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.917 -6.945 -0.421 1.00 0.00 H new ATOM 0 HG SER A 39 12.366 -9.186 -0.189 1.00 0.00 H new ATOM 523 N TYR A 40 10.135 -6.543 -2.539 1.00 0.00 N ATOM 524 CA TYR A 40 8.900 -5.799 -2.324 1.00 0.00 C ATOM 525 C TYR A 40 7.753 -6.739 -1.964 1.00 0.00 C ATOM 526 O TYR A 40 7.538 -7.756 -2.626 1.00 0.00 O ATOM 527 CB TYR A 40 8.541 -4.994 -3.573 1.00 0.00 C ATOM 528 CG TYR A 40 9.364 -3.736 -3.741 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.223 -2.668 -2.863 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.282 -3.616 -4.777 1.00 0.00 C ATOM 531 CE1 TYR A 40 9.973 -1.517 -3.013 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.037 -2.470 -4.933 1.00 0.00 C ATOM 533 CZ TYR A 40 10.878 -1.423 -4.048 1.00 0.00 C ATOM 534 OH TYR A 40 11.627 -0.279 -4.201 1.00 0.00 O ATOM 0 H TYR A 40 10.002 -7.485 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 40 9.059 -5.114 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.674 -5.625 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.486 -4.725 -3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.516 -2.739 -2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.407 -4.433 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.851 -0.695 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.748 -2.394 -5.743 1.00 0.00 H new ATOM 0 HH TYR A 40 12.217 -0.376 -4.978 1.00 0.00 H new ATOM 544 N LEU A 41 7.021 -6.393 -0.912 1.00 0.00 N ATOM 545 CA LEU A 41 5.895 -7.204 -0.463 1.00 0.00 C ATOM 546 C LEU A 41 4.768 -6.325 0.072 1.00 0.00 C ATOM 547 O LEU A 41 5.015 -5.337 0.763 1.00 0.00 O ATOM 548 CB LEU A 41 6.347 -8.186 0.619 1.00 0.00 C ATOM 549 CG LEU A 41 5.382 -9.329 0.935 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.089 -10.142 -0.316 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.949 -10.218 2.032 1.00 0.00 C ATOM 0 H LEU A 41 7.187 -5.556 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 41 5.519 -7.764 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.301 -8.617 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.528 -7.626 1.537 1.00 0.00 H new ATOM 0 HG LEU A 41 4.445 -8.900 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.401 -10.951 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.638 -9.498 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.018 -10.561 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.249 -11.026 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.900 -10.638 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.105 -9.627 2.935 1.00 0.00 H new ATOM 563 N TRP A 42 3.534 -6.692 -0.252 1.00 0.00 N ATOM 564 CA TRP A 42 2.370 -5.938 0.198 1.00 0.00 C ATOM 565 C TRP A 42 1.321 -6.865 0.803 1.00 0.00 C ATOM 566 O TRP A 42 0.842 -7.787 0.145 1.00 0.00 O ATOM 567 CB TRP A 42 1.763 -5.154 -0.967 1.00 0.00 C ATOM 568 CG TRP A 42 2.477 -3.867 -1.253 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.499 -3.676 -2.139 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.225 -2.594 -0.648 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.896 -2.360 -2.122 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.130 -1.676 -1.216 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.321 -2.140 0.317 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.156 -0.333 -0.849 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.348 -0.807 0.680 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.260 0.084 0.098 1.00 0.00 C ATOM 0 H TRP A 42 3.313 -7.507 -0.825 1.00 0.00 H new ATOM 0 HA TRP A 42 2.697 -5.238 0.967 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.779 -5.776 -1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.717 -4.940 -0.746 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.931 -4.446 -2.761 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.640 -1.958 -2.692 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.614 -2.819 0.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.858 0.355 -1.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.655 -0.446 1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.256 1.120 0.403 1.00 0.00 H new ATOM 587 N GLU A 43 0.969 -6.612 2.060 1.00 0.00 N ATOM 588 CA GLU A 43 -0.023 -7.426 2.753 1.00 0.00 C ATOM 589 C GLU A 43 -0.878 -6.568 3.680 1.00 0.00 C ATOM 590 O GLU A 43 -0.383 -5.639 4.319 1.00 0.00 O ATOM 591 CB GLU A 43 0.664 -8.534 3.554 1.00 0.00 C ATOM 592 CG GLU A 43 1.422 -9.529 2.692 1.00 0.00 C ATOM 593 CD GLU A 43 1.682 -10.841 3.406 1.00 0.00 C ATOM 594 OE1 GLU A 43 1.694 -10.845 4.655 1.00 0.00 O ATOM 595 OE2 GLU A 43 1.874 -11.864 2.716 1.00 0.00 O ATOM 0 H GLU A 43 1.355 -5.851 2.618 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.672 -7.879 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.355 -8.081 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.087 -9.069 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.854 -9.722 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.373 -9.091 2.388 1.00 0.00 H new ATOM 602 N LYS A 44 -2.167 -6.885 3.748 1.00 0.00 N ATOM 603 CA LYS A 44 -3.093 -6.146 4.597 1.00 0.00 C ATOM 604 C LYS A 44 -3.033 -6.649 6.036 1.00 0.00 C ATOM 605 O LYS A 44 -3.466 -7.763 6.334 1.00 0.00 O ATOM 606 CB LYS A 44 -4.521 -6.273 4.060 1.00 0.00 C ATOM 607 CG LYS A 44 -5.585 -5.838 5.053 1.00 0.00 C ATOM 608 CD LYS A 44 -6.932 -5.643 4.378 1.00 0.00 C ATOM 609 CE LYS A 44 -7.694 -6.955 4.265 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.593 -6.974 3.078 1.00 0.00 N ATOM 0 H LYS A 44 -2.594 -7.649 3.225 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.798 -5.097 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.614 -5.674 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.703 -7.310 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.677 -6.586 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.279 -4.908 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.524 -4.925 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.784 -5.220 3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.986 -7.781 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.283 -7.112 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.582 -7.039 3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.461 -6.101 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.364 -7.795 2.483 1.00 0.00 H new ATOM 624 N THR A 45 -2.496 -5.820 6.926 1.00 0.00 N ATOM 625 CA THR A 45 -2.380 -6.181 8.333 1.00 0.00 C ATOM 626 C THR A 45 -3.739 -6.154 9.022 1.00 0.00 C ATOM 627 O THR A 45 -4.118 -7.105 9.705 1.00 0.00 O ATOM 628 CB THR A 45 -1.420 -5.234 9.079 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.445 -3.936 8.474 1.00 0.00 O ATOM 630 CG2 THR A 45 0.000 -5.779 9.063 1.00 0.00 C ATOM 0 H THR A 45 -2.135 -4.894 6.697 1.00 0.00 H new ATOM 0 HA THR A 45 -1.979 -7.194 8.367 1.00 0.00 H new ATOM 0 HB THR A 45 -1.751 -5.159 10.115 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.313 -3.793 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.659 -5.093 9.596 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.021 -6.754 9.550 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.339 -5.881 8.032 1.00 0.00 H new ATOM 638 N GLN A 46 -4.469 -5.059 8.837 1.00 0.00 N ATOM 639 CA GLN A 46 -5.788 -4.909 9.441 1.00 0.00 C ATOM 640 C GLN A 46 -6.819 -4.487 8.400 1.00 0.00 C ATOM 641 O GLN A 46 -6.469 -4.114 7.281 1.00 0.00 O ATOM 642 CB GLN A 46 -5.739 -3.882 10.574 1.00 0.00 C ATOM 643 CG GLN A 46 -5.442 -4.491 11.935 1.00 0.00 C ATOM 644 CD GLN A 46 -5.115 -3.446 12.983 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.966 -2.638 13.357 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.878 -3.457 13.464 1.00 0.00 N ATOM 0 H GLN A 46 -4.170 -4.263 8.274 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.085 -5.875 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.977 -3.137 10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.694 -3.358 10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.303 -5.073 12.264 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.605 -5.183 11.844 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.205 -4.145 13.125 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.600 -2.778 14.172 1.00 0.00 H new ATOM 655 N GLY A 47 -8.093 -4.549 8.776 1.00 0.00 N ATOM 656 CA GLY A 47 -9.156 -4.170 7.863 1.00 0.00 C ATOM 657 C GLY A 47 -10.044 -5.340 7.491 1.00 0.00 C ATOM 658 O GLY A 47 -9.709 -6.502 7.725 1.00 0.00 O ATOM 0 H GLY A 47 -8.408 -4.855 9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.763 -3.388 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.720 -3.746 6.958 1.00 0.00 H new ATOM 662 N PRO A 48 -11.210 -5.038 6.899 1.00 0.00 N ATOM 663 CA PRO A 48 -12.174 -6.061 6.483 1.00 0.00 C ATOM 664 C PRO A 48 -11.673 -6.883 5.300 1.00 0.00 C ATOM 665 O PRO A 48 -11.541 -6.370 4.188 1.00 0.00 O ATOM 666 CB PRO A 48 -13.406 -5.245 6.084 1.00 0.00 C ATOM 667 CG PRO A 48 -12.869 -3.908 5.706 1.00 0.00 C ATOM 668 CD PRO A 48 -11.675 -3.676 6.590 1.00 0.00 C ATOM 0 HA PRO A 48 -12.364 -6.787 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.935 -5.709 5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.114 -5.168 6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.586 -3.885 4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.619 -3.131 5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.906 -3.094 6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.944 -3.129 7.493 1.00 0.00 H new ATOM 676 N ASP A 49 -11.398 -8.158 5.546 1.00 0.00 N ATOM 677 CA ASP A 49 -10.913 -9.052 4.500 1.00 0.00 C ATOM 678 C ASP A 49 -11.925 -9.157 3.364 1.00 0.00 C ATOM 679 O ASP A 49 -13.130 -9.039 3.579 1.00 0.00 O ATOM 680 CB ASP A 49 -10.629 -10.440 5.077 1.00 0.00 C ATOM 681 CG ASP A 49 -9.235 -10.549 5.663 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.279 -10.754 4.885 1.00 0.00 O ATOM 683 OD2 ASP A 49 -9.099 -10.430 6.899 1.00 0.00 O ATOM 0 H ASP A 49 -11.502 -8.597 6.461 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.987 -8.637 4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.364 -10.666 5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.750 -11.188 4.293 1.00 0.00 H new ATOM 688 N GLY A 50 -11.425 -9.379 2.152 1.00 0.00 N ATOM 689 CA GLY A 50 -12.299 -9.495 0.999 1.00 0.00 C ATOM 690 C GLY A 50 -11.704 -8.864 -0.245 1.00 0.00 C ATOM 691 O GLY A 50 -11.981 -9.299 -1.363 1.00 0.00 O ATOM 0 H GLY A 50 -10.431 -9.481 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.503 -10.548 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.255 -9.020 1.222 1.00 0.00 H new ATOM 695 N VAL A 51 -10.885 -7.835 -0.051 1.00 0.00 N ATOM 696 CA VAL A 51 -10.250 -7.143 -1.167 1.00 0.00 C ATOM 697 C VAL A 51 -9.224 -8.036 -1.855 1.00 0.00 C ATOM 698 O VAL A 51 -8.778 -9.035 -1.290 1.00 0.00 O ATOM 699 CB VAL A 51 -9.558 -5.848 -0.702 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.488 -5.034 0.185 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.260 -6.168 0.023 1.00 0.00 C ATOM 0 H VAL A 51 -10.646 -7.462 0.868 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.040 -6.891 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.318 -5.250 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.982 -4.123 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.387 -4.773 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.762 -5.622 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.785 -5.241 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.473 -6.788 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.591 -6.705 -0.649 1.00 0.00 H new ATOM 711 N GLN A 52 -8.853 -7.669 -3.077 1.00 0.00 N ATOM 712 CA GLN A 52 -7.879 -8.437 -3.843 1.00 0.00 C ATOM 713 C GLN A 52 -6.647 -7.594 -4.157 1.00 0.00 C ATOM 714 O GLN A 52 -6.742 -6.559 -4.818 1.00 0.00 O ATOM 715 CB GLN A 52 -8.507 -8.948 -5.140 1.00 0.00 C ATOM 716 CG GLN A 52 -9.310 -10.227 -4.965 1.00 0.00 C ATOM 717 CD GLN A 52 -8.466 -11.474 -5.138 1.00 0.00 C ATOM 718 OE1 GLN A 52 -8.442 -12.078 -6.211 1.00 0.00 O ATOM 719 NE2 GLN A 52 -7.767 -11.869 -4.080 1.00 0.00 N ATOM 0 H GLN A 52 -9.212 -6.844 -3.558 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.569 -9.289 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.157 -8.174 -5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.718 -9.121 -5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.763 -10.234 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.125 -10.241 -5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.816 -11.339 -3.210 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.181 -12.702 -4.138 1.00 0.00 H new ATOM 728 N LEU A 53 -5.491 -8.044 -3.680 1.00 0.00 N ATOM 729 CA LEU A 53 -4.240 -7.331 -3.910 1.00 0.00 C ATOM 730 C LEU A 53 -3.551 -7.835 -5.174 1.00 0.00 C ATOM 731 O LEU A 53 -3.415 -9.040 -5.380 1.00 0.00 O ATOM 732 CB LEU A 53 -3.308 -7.495 -2.708 1.00 0.00 C ATOM 733 CG LEU A 53 -3.403 -6.412 -1.633 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.099 -6.994 -0.261 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.457 -5.262 -1.948 1.00 0.00 C ATOM 0 H LEU A 53 -5.395 -8.899 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.472 -6.274 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.513 -8.459 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.281 -7.529 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.422 -6.025 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.171 -6.209 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.816 -7.782 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.091 -7.409 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.538 -4.501 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.433 -5.633 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.721 -4.827 -2.912 1.00 0.00 H new ATOM 747 N GLU A 54 -3.116 -6.903 -6.017 1.00 0.00 N ATOM 748 CA GLU A 54 -2.439 -7.253 -7.260 1.00 0.00 C ATOM 749 C GLU A 54 -1.036 -6.655 -7.303 1.00 0.00 C ATOM 750 O GLU A 54 -0.826 -5.510 -6.906 1.00 0.00 O ATOM 751 CB GLU A 54 -3.250 -6.767 -8.463 1.00 0.00 C ATOM 752 CG GLU A 54 -4.307 -7.756 -8.925 1.00 0.00 C ATOM 753 CD GLU A 54 -5.619 -7.599 -8.182 1.00 0.00 C ATOM 754 OE1 GLU A 54 -6.167 -6.476 -8.175 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.099 -8.598 -7.607 1.00 0.00 O ATOM 0 H GLU A 54 -3.221 -5.900 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.353 -8.339 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.734 -5.824 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.570 -6.562 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.481 -7.624 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.935 -8.771 -8.786 1.00 0.00 H new ATOM 762 N ASN A 55 -0.079 -7.440 -7.789 1.00 0.00 N ATOM 763 CA ASN A 55 1.304 -6.989 -7.883 1.00 0.00 C ATOM 764 C ASN A 55 1.859 -6.642 -6.505 1.00 0.00 C ATOM 765 O ASN A 55 2.565 -5.648 -6.341 1.00 0.00 O ATOM 766 CB ASN A 55 1.404 -5.773 -8.806 1.00 0.00 C ATOM 767 CG ASN A 55 1.603 -6.163 -10.258 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.684 -6.602 -10.652 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.558 -6.005 -11.062 1.00 0.00 N ATOM 0 H ASN A 55 -0.236 -8.391 -8.123 1.00 0.00 H new ATOM 0 HA ASN A 55 1.897 -7.803 -8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.497 -5.175 -8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.234 -5.144 -8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.632 -6.251 -12.049 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.319 -5.638 -10.692 1.00 0.00 H new ATOM 776 N ALA A 56 1.534 -7.469 -5.517 1.00 0.00 N ATOM 777 CA ALA A 56 2.001 -7.252 -4.154 1.00 0.00 C ATOM 778 C ALA A 56 3.511 -7.440 -4.055 1.00 0.00 C ATOM 779 O ALA A 56 4.163 -6.858 -3.188 1.00 0.00 O ATOM 780 CB ALA A 56 1.287 -8.193 -3.195 1.00 0.00 C ATOM 0 H ALA A 56 0.949 -8.296 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 56 1.770 -6.224 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.646 -8.020 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.213 -8.009 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.489 -9.225 -3.480 1.00 0.00 H new ATOM 786 N ASN A 57 4.061 -8.257 -4.947 1.00 0.00 N ATOM 787 CA ASN A 57 5.495 -8.522 -4.959 1.00 0.00 C ATOM 788 C ASN A 57 6.231 -7.497 -5.818 1.00 0.00 C ATOM 789 O ASN A 57 7.275 -7.794 -6.399 1.00 0.00 O ATOM 790 CB ASN A 57 5.770 -9.933 -5.482 1.00 0.00 C ATOM 791 CG ASN A 57 5.465 -11.002 -4.450 1.00 0.00 C ATOM 792 OD1 ASN A 57 4.210 -11.067 -4.020 1.00 0.00 O flip ATOM 793 ND2 ASN A 57 6.347 -11.759 -4.045 1.00 0.00 N flip ATOM 0 H ASN A 57 3.536 -8.747 -5.671 1.00 0.00 H new ATOM 0 HA ASN A 57 5.862 -8.443 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.169 -10.111 -6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.815 -10.009 -5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.298 -11.672 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.127 -12.473 -3.351 1.00 0.00 H new ATOM 800 N SER A 58 5.679 -6.290 -5.892 1.00 0.00 N ATOM 801 CA SER A 58 6.281 -5.222 -6.682 1.00 0.00 C ATOM 802 C SER A 58 6.330 -3.921 -5.887 1.00 0.00 C ATOM 803 O SER A 58 5.879 -3.861 -4.744 1.00 0.00 O ATOM 804 CB SER A 58 5.495 -5.013 -7.978 1.00 0.00 C ATOM 805 OG SER A 58 5.640 -6.122 -8.847 1.00 0.00 O ATOM 0 H SER A 58 4.817 -6.027 -5.415 1.00 0.00 H new ATOM 0 HA SER A 58 7.301 -5.515 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.440 -4.863 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.844 -4.108 -8.476 1.00 0.00 H new ATOM 0 HG SER A 58 5.127 -5.964 -9.667 1.00 0.00 H new ATOM 811 N SER A 59 6.881 -2.879 -6.503 1.00 0.00 N ATOM 812 CA SER A 59 6.993 -1.579 -5.853 1.00 0.00 C ATOM 813 C SER A 59 5.617 -0.951 -5.652 1.00 0.00 C ATOM 814 O SER A 59 5.367 -0.284 -4.648 1.00 0.00 O ATOM 815 CB SER A 59 7.876 -0.645 -6.683 1.00 0.00 C ATOM 816 OG SER A 59 7.248 -0.303 -7.906 1.00 0.00 O ATOM 0 H SER A 59 7.256 -2.910 -7.451 1.00 0.00 H new ATOM 0 HA SER A 59 7.451 -1.728 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.089 0.260 -6.114 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.833 -1.127 -6.884 1.00 0.00 H new ATOM 0 HG SER A 59 7.832 0.296 -8.417 1.00 0.00 H new ATOM 822 N VAL A 60 4.727 -1.170 -6.615 1.00 0.00 N ATOM 823 CA VAL A 60 3.376 -0.628 -6.545 1.00 0.00 C ATOM 824 C VAL A 60 2.334 -1.740 -6.601 1.00 0.00 C ATOM 825 O VAL A 60 2.387 -2.611 -7.469 1.00 0.00 O ATOM 826 CB VAL A 60 3.110 0.367 -7.690 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.694 0.914 -7.605 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.129 1.497 -7.660 1.00 0.00 C ATOM 0 H VAL A 60 4.918 -1.719 -7.453 1.00 0.00 H new ATOM 0 HA VAL A 60 3.294 -0.105 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 60 3.213 -0.161 -8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.525 1.615 -8.422 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.982 0.092 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.559 1.427 -6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.927 2.191 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.059 2.025 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.132 1.086 -7.774 1.00 0.00 H new ATOM 838 N ALA A 61 1.387 -1.703 -5.670 1.00 0.00 N ATOM 839 CA ALA A 61 0.331 -2.707 -5.615 1.00 0.00 C ATOM 840 C ALA A 61 -1.037 -2.077 -5.855 1.00 0.00 C ATOM 841 O ALA A 61 -1.192 -0.857 -5.788 1.00 0.00 O ATOM 842 CB ALA A 61 0.355 -3.425 -4.274 1.00 0.00 C ATOM 0 H ALA A 61 1.329 -0.989 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 61 0.512 -3.434 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.439 -4.172 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.319 -3.915 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.201 -2.703 -3.472 1.00 0.00 H new ATOM 848 N THR A 62 -2.029 -2.917 -6.136 1.00 0.00 N ATOM 849 CA THR A 62 -3.384 -2.442 -6.388 1.00 0.00 C ATOM 850 C THR A 62 -4.409 -3.278 -5.630 1.00 0.00 C ATOM 851 O THR A 62 -4.444 -4.502 -5.758 1.00 0.00 O ATOM 852 CB THR A 62 -3.720 -2.477 -7.891 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.860 -1.584 -8.606 1.00 0.00 O ATOM 854 CG2 THR A 62 -5.172 -2.090 -8.129 1.00 0.00 C ATOM 0 H THR A 62 -1.919 -3.929 -6.195 1.00 0.00 H new ATOM 0 HA THR A 62 -3.429 -1.411 -6.037 1.00 0.00 H new ATOM 0 HB THR A 62 -3.567 -3.494 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.079 -1.613 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.387 -2.122 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.825 -2.789 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.346 -1.082 -7.754 1.00 0.00 H new ATOM 862 N VAL A 63 -5.243 -2.609 -4.840 1.00 0.00 N ATOM 863 CA VAL A 63 -6.271 -3.290 -4.062 1.00 0.00 C ATOM 864 C VAL A 63 -7.663 -2.975 -4.596 1.00 0.00 C ATOM 865 O VAL A 63 -8.058 -1.812 -4.688 1.00 0.00 O ATOM 866 CB VAL A 63 -6.203 -2.895 -2.575 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.431 -3.398 -1.832 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.928 -3.431 -1.940 1.00 0.00 C ATOM 0 H VAL A 63 -5.227 -1.596 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.082 -4.359 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.187 -1.807 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.365 -3.109 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.327 -2.961 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.482 -4.484 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.896 -3.143 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.911 -4.518 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.062 -3.017 -2.456 1.00 0.00 H new ATOM 878 N THR A 64 -8.406 -4.020 -4.949 1.00 0.00 N ATOM 879 CA THR A 64 -9.755 -3.856 -5.476 1.00 0.00 C ATOM 880 C THR A 64 -10.791 -4.453 -4.530 1.00 0.00 C ATOM 881 O THR A 64 -10.456 -5.230 -3.638 1.00 0.00 O ATOM 882 CB THR A 64 -9.902 -4.514 -6.861 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.836 -5.938 -6.736 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.812 -4.032 -7.807 1.00 0.00 C ATOM 0 H THR A 64 -8.096 -4.989 -4.879 1.00 0.00 H new ATOM 0 HA THR A 64 -9.928 -2.784 -5.571 1.00 0.00 H new ATOM 0 HB THR A 64 -10.871 -4.230 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.932 -6.349 -7.621 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.936 -4.510 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.883 -2.951 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.835 -4.290 -7.398 1.00 0.00 H new ATOM 892 N GLY A 65 -12.052 -4.084 -4.732 1.00 0.00 N ATOM 893 CA GLY A 65 -13.118 -4.593 -3.889 1.00 0.00 C ATOM 894 C GLY A 65 -13.087 -4.002 -2.494 1.00 0.00 C ATOM 895 O GLY A 65 -13.176 -4.727 -1.502 1.00 0.00 O ATOM 0 H GLY A 65 -12.354 -3.442 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.080 -4.373 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.037 -5.678 -3.822 1.00 0.00 H new ATOM 899 N LEU A 66 -12.958 -2.682 -2.415 1.00 0.00 N ATOM 900 CA LEU A 66 -12.913 -1.993 -1.130 1.00 0.00 C ATOM 901 C LEU A 66 -14.308 -1.546 -0.703 1.00 0.00 C ATOM 902 O LEU A 66 -15.169 -1.284 -1.542 1.00 0.00 O ATOM 903 CB LEU A 66 -11.980 -0.784 -1.210 1.00 0.00 C ATOM 904 CG LEU A 66 -10.484 -1.093 -1.276 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.727 0.065 -1.907 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.940 -1.396 0.112 1.00 0.00 C ATOM 0 H LEU A 66 -12.883 -2.068 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.531 -2.690 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.249 -0.200 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.162 -0.152 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.342 -1.975 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.664 -0.173 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.098 0.234 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.876 0.965 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.874 -1.614 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.095 -0.533 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.461 -2.259 0.527 1.00 0.00 H new ATOM 918 N GLN A 67 -14.521 -1.460 0.606 1.00 0.00 N ATOM 919 CA GLN A 67 -15.811 -1.043 1.144 1.00 0.00 C ATOM 920 C GLN A 67 -15.629 -0.045 2.282 1.00 0.00 C ATOM 921 O GLN A 67 -14.569 0.015 2.906 1.00 0.00 O ATOM 922 CB GLN A 67 -16.599 -2.258 1.636 1.00 0.00 C ATOM 923 CG GLN A 67 -16.776 -3.337 0.580 1.00 0.00 C ATOM 924 CD GLN A 67 -17.605 -4.507 1.073 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.216 -5.207 2.009 1.00 0.00 O ATOM 926 NE2 GLN A 67 -18.754 -4.725 0.445 1.00 0.00 N ATOM 0 H GLN A 67 -13.818 -1.673 1.313 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.370 -0.556 0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.089 -2.686 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.581 -1.930 1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.253 -2.904 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.796 -3.697 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.037 -4.120 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.354 -5.498 0.733 1.00 0.00 H new ATOM 935 N VAL A 68 -16.670 0.738 2.548 1.00 0.00 N ATOM 936 CA VAL A 68 -16.625 1.734 3.612 1.00 0.00 C ATOM 937 C VAL A 68 -15.986 1.163 4.873 1.00 0.00 C ATOM 938 O VAL A 68 -16.627 0.440 5.634 1.00 0.00 O ATOM 939 CB VAL A 68 -18.034 2.253 3.954 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.985 3.176 5.162 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.646 2.962 2.756 1.00 0.00 C ATOM 0 H VAL A 68 -17.555 0.702 2.041 1.00 0.00 H new ATOM 0 HA VAL A 68 -16.019 2.563 3.245 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.665 1.400 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.990 3.533 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.591 2.631 6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.339 4.026 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.641 3.322 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.017 3.806 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.719 2.267 1.920 1.00 0.00 H new ATOM 951 N GLY A 69 -14.716 1.493 5.087 1.00 0.00 N ATOM 952 CA GLY A 69 -14.010 1.004 6.258 1.00 0.00 C ATOM 953 C GLY A 69 -12.556 1.434 6.279 1.00 0.00 C ATOM 954 O GLY A 69 -12.178 2.406 5.625 1.00 0.00 O ATOM 0 H GLY A 69 -14.163 2.090 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.507 1.369 7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.064 -0.084 6.283 1.00 0.00 H new ATOM 958 N THR A 70 -11.738 0.708 7.035 1.00 0.00 N ATOM 959 CA THR A 70 -10.318 1.021 7.141 1.00 0.00 C ATOM 960 C THR A 70 -9.460 -0.177 6.751 1.00 0.00 C ATOM 961 O THR A 70 -9.768 -1.315 7.105 1.00 0.00 O ATOM 962 CB THR A 70 -9.946 1.461 8.570 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.749 0.757 9.524 1.00 0.00 O ATOM 964 CG2 THR A 70 -10.140 2.959 8.743 1.00 0.00 C ATOM 0 H THR A 70 -12.034 -0.100 7.582 1.00 0.00 H new ATOM 0 HA THR A 70 -10.123 1.843 6.452 1.00 0.00 H new ATOM 0 HB THR A 70 -8.895 1.226 8.737 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.505 1.041 10.430 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.871 3.246 9.760 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.505 3.492 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.183 3.215 8.558 1.00 0.00 H new ATOM 972 N TYR A 71 -8.382 0.086 6.020 1.00 0.00 N ATOM 973 CA TYR A 71 -7.480 -0.972 5.580 1.00 0.00 C ATOM 974 C TYR A 71 -6.028 -0.606 5.873 1.00 0.00 C ATOM 975 O TYR A 71 -5.518 0.401 5.381 1.00 0.00 O ATOM 976 CB TYR A 71 -7.661 -1.235 4.084 1.00 0.00 C ATOM 977 CG TYR A 71 -9.063 -1.658 3.708 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.085 -0.723 3.599 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.365 -2.991 3.464 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.368 -1.105 3.256 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.644 -3.382 3.119 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.643 -2.435 3.017 1.00 0.00 C ATOM 983 OH TYR A 71 -12.919 -2.821 2.675 1.00 0.00 O ATOM 0 H TYR A 71 -8.112 1.023 5.720 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.725 -1.879 6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.403 -0.332 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.961 -2.010 3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.873 0.319 3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.586 -3.735 3.545 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.151 -0.366 3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.861 -4.423 2.930 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.942 -3.791 2.540 1.00 0.00 H new ATOM 993 N VAL A 72 -5.367 -1.432 6.677 1.00 0.00 N ATOM 994 CA VAL A 72 -3.973 -1.199 7.034 1.00 0.00 C ATOM 995 C VAL A 72 -3.042 -2.102 6.234 1.00 0.00 C ATOM 996 O VAL A 72 -2.949 -3.302 6.494 1.00 0.00 O ATOM 997 CB VAL A 72 -3.732 -1.434 8.537 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.288 -1.127 8.901 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.690 -0.593 9.368 1.00 0.00 C ATOM 0 H VAL A 72 -5.775 -2.269 7.094 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.756 -0.158 6.797 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.922 -2.485 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.137 -1.299 9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.623 -1.776 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.067 -0.086 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.506 -0.772 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.534 0.463 9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.717 -0.867 9.127 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.353 -1.518 5.260 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.428 -2.271 4.420 1.00 0.00 C ATOM 1011 C PHE A 73 0.017 -2.014 4.838 1.00 0.00 C ATOM 1012 O PHE A 73 0.504 -0.884 4.772 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.620 -1.896 2.949 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.008 -2.159 2.440 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.400 -3.441 2.089 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.921 -1.125 2.313 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.677 -3.687 1.621 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.200 -1.364 1.845 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.578 -2.647 1.498 1.00 0.00 C ATOM 0 H PHE A 73 -2.417 -0.526 5.032 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.642 -3.332 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.388 -0.839 2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.907 -2.456 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.699 -4.258 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.630 -0.120 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.970 -4.691 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.902 -0.549 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.576 -2.836 1.131 1.00 0.00 H new ATOM 1029 N THR A 74 0.700 -3.070 5.267 1.00 0.00 N ATOM 1030 CA THR A 74 2.088 -2.961 5.697 1.00 0.00 C ATOM 1031 C THR A 74 3.043 -3.380 4.585 1.00 0.00 C ATOM 1032 O THR A 74 2.879 -4.440 3.979 1.00 0.00 O ATOM 1033 CB THR A 74 2.360 -3.823 6.944 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.603 -3.330 8.055 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.841 -3.819 7.292 1.00 0.00 C ATOM 0 H THR A 74 0.314 -4.012 5.326 1.00 0.00 H new ATOM 0 HA THR A 74 2.260 -1.914 5.944 1.00 0.00 H new ATOM 0 HB THR A 74 2.057 -4.847 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.084 -3.518 8.888 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.009 -4.434 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.412 -4.222 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.165 -2.798 7.494 1.00 0.00 H new ATOM 1043 N LEU A 75 4.041 -2.543 4.321 1.00 0.00 N ATOM 1044 CA LEU A 75 5.024 -2.828 3.282 1.00 0.00 C ATOM 1045 C LEU A 75 6.329 -3.332 3.889 1.00 0.00 C ATOM 1046 O LEU A 75 6.788 -2.823 4.912 1.00 0.00 O ATOM 1047 CB LEU A 75 5.288 -1.575 2.445 1.00 0.00 C ATOM 1048 CG LEU A 75 6.524 -1.617 1.546 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.198 -2.292 0.223 1.00 0.00 C ATOM 1050 CD2 LEU A 75 7.060 -0.212 1.311 1.00 0.00 C ATOM 0 H LEU A 75 4.190 -1.662 4.812 1.00 0.00 H new ATOM 0 HA LEU A 75 4.619 -3.609 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.415 -1.389 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.383 -0.725 3.120 1.00 0.00 H new ATOM 0 HG LEU A 75 7.296 -2.200 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.089 -2.313 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.861 -3.312 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.410 -1.736 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.940 -0.261 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.293 0.394 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.332 0.238 2.266 1.00 0.00 H new ATOM 1062 N THR A 76 6.924 -4.335 3.251 1.00 0.00 N ATOM 1063 CA THR A 76 8.177 -4.907 3.728 1.00 0.00 C ATOM 1064 C THR A 76 9.228 -4.927 2.623 1.00 0.00 C ATOM 1065 O THR A 76 9.120 -5.691 1.664 1.00 0.00 O ATOM 1066 CB THR A 76 7.975 -6.341 4.255 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.983 -6.348 5.287 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.280 -6.907 4.794 1.00 0.00 C ATOM 0 H THR A 76 6.558 -4.768 2.403 1.00 0.00 H new ATOM 0 HA THR A 76 8.524 -4.273 4.544 1.00 0.00 H new ATOM 0 HB THR A 76 7.641 -6.966 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.859 -7.263 5.615 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.113 -7.920 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.024 -6.927 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.639 -6.280 5.610 1.00 0.00 H new ATOM 1076 N VAL A 77 10.244 -4.083 2.765 1.00 0.00 N ATOM 1077 CA VAL A 77 11.316 -4.005 1.779 1.00 0.00 C ATOM 1078 C VAL A 77 12.655 -4.405 2.390 1.00 0.00 C ATOM 1079 O VAL A 77 12.832 -4.362 3.608 1.00 0.00 O ATOM 1080 CB VAL A 77 11.436 -2.587 1.191 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.458 -2.402 0.041 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.206 -1.541 2.271 1.00 0.00 C ATOM 0 H VAL A 77 10.348 -3.443 3.553 1.00 0.00 H new ATOM 0 HA VAL A 77 11.062 -4.701 0.980 1.00 0.00 H new ATOM 0 HB VAL A 77 12.446 -2.458 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.557 -1.394 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.675 -3.129 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.440 -2.550 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.295 -0.545 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.208 -1.666 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.950 -1.661 3.059 1.00 0.00 H new ATOM 1092 N LYS A 78 13.596 -4.793 1.537 1.00 0.00 N ATOM 1093 CA LYS A 78 14.921 -5.199 1.991 1.00 0.00 C ATOM 1094 C LYS A 78 16.010 -4.536 1.154 1.00 0.00 C ATOM 1095 O LYS A 78 15.773 -4.138 0.013 1.00 0.00 O ATOM 1096 CB LYS A 78 15.063 -6.721 1.919 1.00 0.00 C ATOM 1097 CG LYS A 78 14.641 -7.433 3.192 1.00 0.00 C ATOM 1098 CD LYS A 78 14.609 -8.940 3.004 1.00 0.00 C ATOM 1099 CE LYS A 78 14.634 -9.669 4.339 1.00 0.00 C ATOM 1100 NZ LYS A 78 14.055 -11.037 4.236 1.00 0.00 N ATOM 0 H LYS A 78 13.466 -4.835 0.526 1.00 0.00 H new ATOM 0 HA LYS A 78 15.037 -4.878 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.464 -7.094 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.101 -6.971 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.331 -7.181 3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.655 -7.082 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.712 -9.220 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.463 -9.251 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.661 -9.736 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.076 -9.093 5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.091 -11.500 5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.067 -10.973 3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.603 -11.595 3.550 1.00 0.00 H new ATOM 1114 N ASP A 79 17.203 -4.421 1.727 1.00 0.00 N ATOM 1115 CA ASP A 79 18.329 -3.808 1.033 1.00 0.00 C ATOM 1116 C ASP A 79 19.486 -4.794 0.899 1.00 0.00 C ATOM 1117 O ASP A 79 19.419 -5.915 1.400 1.00 0.00 O ATOM 1118 CB ASP A 79 18.794 -2.555 1.776 1.00 0.00 C ATOM 1119 CG ASP A 79 17.638 -1.665 2.188 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.664 -2.188 2.769 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.707 -0.445 1.929 1.00 0.00 O ATOM 0 H ASP A 79 17.415 -4.744 2.671 1.00 0.00 H new ATOM 0 HA ASP A 79 17.998 -3.525 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.356 -2.849 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.475 -1.990 1.139 1.00 0.00 H new ATOM 1126 N GLU A 80 20.545 -4.366 0.218 1.00 0.00 N ATOM 1127 CA GLU A 80 21.715 -5.212 0.017 1.00 0.00 C ATOM 1128 C GLU A 80 22.159 -5.849 1.331 1.00 0.00 C ATOM 1129 O GLU A 80 22.584 -7.004 1.361 1.00 0.00 O ATOM 1130 CB GLU A 80 22.864 -4.398 -0.581 1.00 0.00 C ATOM 1131 CG GLU A 80 23.495 -3.424 0.400 1.00 0.00 C ATOM 1132 CD GLU A 80 24.641 -4.041 1.179 1.00 0.00 C ATOM 1133 OE1 GLU A 80 24.734 -5.286 1.212 1.00 0.00 O ATOM 1134 OE2 GLU A 80 25.444 -3.278 1.755 1.00 0.00 O ATOM 0 H GLU A 80 20.616 -3.440 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 80 21.442 -6.006 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 80 23.631 -5.081 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.495 -3.844 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 80 23.858 -2.551 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.734 -3.072 1.097 1.00 0.00 H new ATOM 1141 N ARG A 81 22.058 -5.086 2.415 1.00 0.00 N ATOM 1142 CA ARG A 81 22.450 -5.574 3.732 1.00 0.00 C ATOM 1143 C ARG A 81 21.304 -6.336 4.393 1.00 0.00 C ATOM 1144 O ARG A 81 21.230 -6.425 5.617 1.00 0.00 O ATOM 1145 CB ARG A 81 22.883 -4.409 4.623 1.00 0.00 C ATOM 1146 CG ARG A 81 24.366 -4.090 4.531 1.00 0.00 C ATOM 1147 CD ARG A 81 25.169 -4.876 5.555 1.00 0.00 C ATOM 1148 NE ARG A 81 26.607 -4.682 5.389 1.00 0.00 N ATOM 1149 CZ ARG A 81 27.520 -5.254 6.166 1.00 0.00 C ATOM 1150 NH1 ARG A 81 27.147 -6.052 7.157 1.00 0.00 N ATOM 1151 NH2 ARG A 81 28.810 -5.029 5.952 1.00 0.00 N ATOM 0 H ARG A 81 21.708 -4.128 2.407 1.00 0.00 H new ATOM 0 HA ARG A 81 23.291 -6.256 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.312 -3.522 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.634 -4.642 5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.727 -4.320 3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.520 -3.022 4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.875 -4.569 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.933 -5.936 5.464 1.00 0.00 H new ATOM 0 HE ARG A 81 26.928 -4.074 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 81 26.156 -6.228 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 27.851 -6.490 7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 81 29.101 -4.416 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 81 29.510 -5.469 6.549 1.00 0.00 H new ATOM 1165 N ASN A 82 20.413 -6.882 3.572 1.00 0.00 N ATOM 1166 CA ASN A 82 19.270 -7.635 4.077 1.00 0.00 C ATOM 1167 C ASN A 82 18.564 -6.869 5.191 1.00 0.00 C ATOM 1168 O ASN A 82 18.015 -7.466 6.119 1.00 0.00 O ATOM 1169 CB ASN A 82 19.722 -9.004 4.591 1.00 0.00 C ATOM 1170 CG ASN A 82 18.636 -10.055 4.466 1.00 0.00 C ATOM 1171 OD1 ASN A 82 17.902 -10.091 3.478 1.00 0.00 O ATOM 1172 ND2 ASN A 82 18.530 -10.918 5.470 1.00 0.00 N ATOM 0 H ASN A 82 20.460 -6.817 2.555 1.00 0.00 H new ATOM 0 HA ASN A 82 18.568 -7.776 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.602 -9.326 4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.021 -8.916 5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.818 -11.648 5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.160 -10.850 6.269 1.00 0.00 H new ATOM 1179 N LEU A 83 18.580 -5.544 5.093 1.00 0.00 N ATOM 1180 CA LEU A 83 17.940 -4.695 6.092 1.00 0.00 C ATOM 1181 C LEU A 83 16.425 -4.875 6.070 1.00 0.00 C ATOM 1182 O LEU A 83 15.771 -4.580 5.071 1.00 0.00 O ATOM 1183 CB LEU A 83 18.294 -3.228 5.845 1.00 0.00 C ATOM 1184 CG LEU A 83 19.750 -2.836 6.103 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.053 -1.477 5.491 1.00 0.00 C ATOM 1186 CD2 LEU A 83 20.044 -2.830 7.596 1.00 0.00 C ATOM 0 H LEU A 83 19.029 -5.034 4.332 1.00 0.00 H new ATOM 0 HA LEU A 83 18.308 -4.991 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.051 -2.986 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.655 -2.610 6.475 1.00 0.00 H new ATOM 0 HG LEU A 83 20.395 -3.576 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.093 -1.215 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.883 -1.516 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.401 -0.725 5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.084 -2.549 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.391 -2.112 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.868 -3.825 8.006 1.00 0.00 H new ATOM 1198 N GLN A 84 15.876 -5.359 7.179 1.00 0.00 N ATOM 1199 CA GLN A 84 14.438 -5.577 7.287 1.00 0.00 C ATOM 1200 C GLN A 84 13.730 -4.310 7.756 1.00 0.00 C ATOM 1201 O GLN A 84 13.977 -3.821 8.858 1.00 0.00 O ATOM 1202 CB GLN A 84 14.146 -6.727 8.252 1.00 0.00 C ATOM 1203 CG GLN A 84 12.847 -7.458 7.952 1.00 0.00 C ATOM 1204 CD GLN A 84 12.227 -8.078 9.188 1.00 0.00 C ATOM 1205 OE1 GLN A 84 12.927 -8.635 10.035 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.907 -7.986 9.299 1.00 0.00 N ATOM 0 H GLN A 84 16.405 -5.608 8.015 1.00 0.00 H new ATOM 0 HA GLN A 84 14.060 -5.838 6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.971 -7.439 8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.107 -6.336 9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.138 -6.762 7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.036 -8.238 7.215 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.366 -7.516 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.434 -8.386 10.110 1.00 0.00 H new ATOM 1215 N SER A 85 12.848 -3.784 6.912 1.00 0.00 N ATOM 1216 CA SER A 85 12.106 -2.572 7.239 1.00 0.00 C ATOM 1217 C SER A 85 10.612 -2.860 7.343 1.00 0.00 C ATOM 1218 O SER A 85 10.182 -4.008 7.232 1.00 0.00 O ATOM 1219 CB SER A 85 12.357 -1.494 6.182 1.00 0.00 C ATOM 1220 OG SER A 85 13.745 -1.298 5.974 1.00 0.00 O ATOM 0 H SER A 85 12.630 -4.178 5.997 1.00 0.00 H new ATOM 0 HA SER A 85 12.456 -2.211 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.883 -1.782 5.244 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.897 -0.557 6.497 1.00 0.00 H new ATOM 0 HG SER A 85 13.879 -0.606 5.293 1.00 0.00 H new ATOM 1226 N GLN A 86 9.826 -1.810 7.555 1.00 0.00 N ATOM 1227 CA GLN A 86 8.380 -1.950 7.674 1.00 0.00 C ATOM 1228 C GLN A 86 7.701 -0.584 7.698 1.00 0.00 C ATOM 1229 O GLN A 86 8.240 0.379 8.242 1.00 0.00 O ATOM 1230 CB GLN A 86 8.024 -2.731 8.941 1.00 0.00 C ATOM 1231 CG GLN A 86 6.740 -3.535 8.819 1.00 0.00 C ATOM 1232 CD GLN A 86 6.318 -4.162 10.133 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.756 -3.494 11.001 1.00 0.00 O ATOM 1234 NE2 GLN A 86 6.587 -5.453 10.286 1.00 0.00 N ATOM 0 H GLN A 86 10.166 -0.853 7.648 1.00 0.00 H new ATOM 0 HA GLN A 86 8.021 -2.499 6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.844 -3.407 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.928 -2.033 9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.942 -2.886 8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.876 -4.319 8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.055 -5.968 9.540 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.326 -5.929 11.149 1.00 0.00 H new ATOM 1243 N SER A 87 6.514 -0.509 7.103 1.00 0.00 N ATOM 1244 CA SER A 87 5.763 0.740 7.052 1.00 0.00 C ATOM 1245 C SER A 87 4.297 0.479 6.718 1.00 0.00 C ATOM 1246 O SER A 87 3.980 -0.120 5.691 1.00 0.00 O ATOM 1247 CB SER A 87 6.373 1.685 6.015 1.00 0.00 C ATOM 1248 OG SER A 87 6.073 3.036 6.317 1.00 0.00 O ATOM 0 H SER A 87 6.052 -1.298 6.650 1.00 0.00 H new ATOM 0 HA SER A 87 5.817 1.208 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.454 1.547 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.992 1.437 5.024 1.00 0.00 H new ATOM 0 HG SER A 87 5.924 3.532 5.485 1.00 0.00 H new ATOM 1254 N SER A 88 3.408 0.933 7.596 1.00 0.00 N ATOM 1255 CA SER A 88 1.975 0.746 7.398 1.00 0.00 C ATOM 1256 C SER A 88 1.308 2.055 6.986 1.00 0.00 C ATOM 1257 O SER A 88 1.813 3.140 7.275 1.00 0.00 O ATOM 1258 CB SER A 88 1.328 0.211 8.676 1.00 0.00 C ATOM 1259 OG SER A 88 1.527 1.101 9.760 1.00 0.00 O ATOM 0 H SER A 88 3.654 1.432 8.451 1.00 0.00 H new ATOM 0 HA SER A 88 1.836 0.020 6.597 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.260 0.065 8.513 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.750 -0.764 8.920 1.00 0.00 H new ATOM 0 HG SER A 88 1.102 0.737 10.565 1.00 0.00 H new ATOM 1265 N VAL A 89 0.170 1.944 6.309 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.569 3.118 5.858 1.00 0.00 C ATOM 1267 C VAL A 89 -2.063 2.957 6.110 1.00 0.00 C ATOM 1268 O VAL A 89 -2.633 1.893 5.870 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.338 3.384 4.358 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.906 2.248 3.521 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -0.953 4.715 3.953 1.00 0.00 C ATOM 0 H VAL A 89 -0.261 1.053 6.061 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.196 3.967 6.432 1.00 0.00 H new ATOM 0 HB VAL A 89 0.736 3.435 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.734 2.453 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.415 1.314 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.977 2.162 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.781 4.887 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.025 4.695 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.494 5.518 4.530 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.694 4.022 6.595 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.124 3.999 6.880 1.00 0.00 C ATOM 1283 C ASN A 90 -4.933 4.339 5.632 1.00 0.00 C ATOM 1284 O ASN A 90 -4.834 5.444 5.097 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.457 4.985 8.002 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.220 4.396 9.379 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.776 3.255 9.510 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.516 5.173 10.414 1.00 0.00 N ATOM 0 H ASN A 90 -2.238 4.911 6.799 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.390 2.991 7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.850 5.883 7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.500 5.291 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.378 4.831 11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.882 6.112 10.258 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.734 3.383 5.174 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.562 3.581 3.990 1.00 0.00 C ATOM 1297 C VAL A 91 -8.037 3.678 4.362 1.00 0.00 C ATOM 1298 O VAL A 91 -8.667 2.680 4.712 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.374 2.437 2.976 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.283 2.635 1.773 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.918 2.342 2.545 1.00 0.00 C ATOM 0 H VAL A 91 -5.827 2.463 5.605 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.243 4.518 3.533 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.649 1.499 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.136 1.817 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.322 2.649 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.043 3.581 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.803 1.529 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.614 3.280 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.292 2.149 3.417 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.583 4.887 4.282 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.985 5.115 4.608 1.00 0.00 C ATOM 1313 C ILE A 92 -10.834 5.219 3.346 1.00 0.00 C ATOM 1314 O ILE A 92 -10.425 5.830 2.358 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.168 6.396 5.443 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.430 6.271 6.778 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.647 6.672 5.673 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.931 7.593 7.318 1.00 0.00 C ATOM 0 H ILE A 92 -8.075 5.724 3.994 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.315 4.258 5.195 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.743 7.235 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.096 5.816 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.584 5.595 6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.760 7.580 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.147 6.800 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.095 5.834 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.418 7.429 8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.239 8.040 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.775 8.264 7.474 1.00 0.00 H new ATOM 1330 N VAL A 93 -12.019 4.619 3.384 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.928 4.646 2.244 1.00 0.00 C ATOM 1332 C VAL A 93 -14.262 5.281 2.620 1.00 0.00 C ATOM 1333 O VAL A 93 -14.849 4.954 3.651 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.182 3.229 1.696 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.277 3.254 0.640 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.899 2.639 1.131 1.00 0.00 C ATOM 0 H VAL A 93 -12.373 4.108 4.193 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.449 5.246 1.470 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.516 2.595 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.443 2.244 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.199 3.633 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.975 3.902 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.097 1.638 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.533 3.271 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.146 2.585 1.917 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.736 6.191 1.775 1.00 0.00 N ATOM 1347 CA LYS A 94 -16.003 6.872 2.016 1.00 0.00 C ATOM 1348 C LYS A 94 -16.973 6.640 0.862 1.00 0.00 C ATOM 1349 O LYS A 94 -16.558 6.464 -0.283 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.770 8.372 2.207 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.504 8.768 3.649 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.030 8.645 3.998 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.635 9.620 5.097 1.00 0.00 C ATOM 1354 NZ LYS A 94 -14.292 9.291 6.392 1.00 0.00 N ATOM 0 H LYS A 94 -14.262 6.474 0.917 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.442 6.460 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.924 8.681 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.643 8.916 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.833 9.794 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.091 8.135 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.815 7.626 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.427 8.833 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.553 9.604 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.906 10.633 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.984 9.968 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.325 9.347 6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.027 8.328 6.681 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.266 6.642 1.173 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.294 6.432 0.160 1.00 0.00 C ATOM 1370 C GLU A 95 -19.629 7.739 -0.554 1.00 0.00 C ATOM 1371 O GLU A 95 -19.172 8.809 -0.156 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.557 5.848 0.797 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.801 6.330 2.217 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.178 5.956 2.731 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -23.090 5.769 1.899 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.343 5.852 3.965 1.00 0.00 O ATOM 0 H GLU A 95 -18.626 6.786 2.116 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.906 5.726 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.418 6.108 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.483 4.761 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.044 5.906 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.685 7.413 2.254 1.00 0.00 H new