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 40 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 SER OG : rot 107:sc= 1.34 USER MOD Set 2.1: A 55 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot 28:sc= 0.64 USER MOD Set 3.2: A 74 THR OG1 : rot 85:sc= -0.319 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 -90:sc= -0.0137 USER MOD Single : A 25 THR OG1 : rot 39:sc= 0.179 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0737 USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0.0895 (180deg=0.067) USER MOD Single : A 46 GLN : amide:sc= -0.0252 K(o=-0.025,f=-0.72) USER MOD Single : A 52 GLN : amide:sc= -0.0196 K(o=-0.02,f=-1.4) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.42! 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 -177:sc= -0.236 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 K(o=0,f=-0.65) USER MOD Single : A 84 GLN : amide:sc= -3.12 X(o=-3.1,f=-3.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.727 F(o=-2.6!,f=-0.73) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 90 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.4!) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.746 3.617 2.931 1.00 0.00 N ATOM 106 CA ALA A 11 4.491 3.188 2.326 1.00 0.00 C ATOM 107 C ALA A 11 3.726 4.374 1.748 1.00 0.00 C ATOM 108 O ALA A 11 3.010 4.240 0.757 1.00 0.00 O ATOM 109 CB ALA A 11 3.636 2.454 3.349 1.00 0.00 C ATOM 0 HA ALA A 11 4.725 2.507 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.702 2.139 2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.174 1.578 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.419 3.118 4.185 1.00 0.00 H new ATOM 115 N GLY A 12 3.883 5.536 2.376 1.00 0.00 N ATOM 116 CA GLY A 12 3.201 6.729 1.910 1.00 0.00 C ATOM 117 C GLY A 12 2.227 7.277 2.934 1.00 0.00 C ATOM 118 O GLY A 12 1.955 6.653 3.959 1.00 0.00 O ATOM 0 H GLY A 12 4.470 5.672 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.938 7.494 1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.665 6.501 0.989 1.00 0.00 H new ATOM 122 N PRO A 13 1.685 8.473 2.660 1.00 0.00 N ATOM 123 CA PRO A 13 0.729 9.133 3.554 1.00 0.00 C ATOM 124 C PRO A 13 -0.619 8.421 3.588 1.00 0.00 C ATOM 125 O PRO A 13 -0.798 7.380 2.955 1.00 0.00 O ATOM 126 CB PRO A 13 0.581 10.530 2.947 1.00 0.00 C ATOM 127 CG PRO A 13 0.921 10.355 1.507 1.00 0.00 C ATOM 128 CD PRO A 13 1.965 9.274 1.456 1.00 0.00 C ATOM 0 HA PRO A 13 1.074 9.138 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.433 10.910 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.250 11.244 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.040 10.074 0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.300 11.284 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.882 8.677 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.973 9.688 1.474 1.00 0.00 H new ATOM 136 N ASP A 14 -1.564 8.988 4.329 1.00 0.00 N ATOM 137 CA ASP A 14 -2.897 8.408 4.444 1.00 0.00 C ATOM 138 C ASP A 14 -3.597 8.384 3.089 1.00 0.00 C ATOM 139 O ASP A 14 -3.308 9.199 2.213 1.00 0.00 O ATOM 140 CB ASP A 14 -3.735 9.197 5.451 1.00 0.00 C ATOM 141 CG ASP A 14 -4.084 10.585 4.952 1.00 0.00 C ATOM 142 OD1 ASP A 14 -4.979 10.699 4.088 1.00 0.00 O ATOM 143 OD2 ASP A 14 -3.463 11.559 5.426 1.00 0.00 O ATOM 0 H ASP A 14 -1.432 9.849 4.859 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.791 7.382 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.653 8.649 5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.188 9.279 6.390 1.00 0.00 H new ATOM 148 N LYS A 15 -4.520 7.442 2.922 1.00 0.00 N ATOM 149 CA LYS A 15 -5.263 7.310 1.674 1.00 0.00 C ATOM 150 C LYS A 15 -6.761 7.469 1.914 1.00 0.00 C ATOM 151 O LYS A 15 -7.349 6.750 2.721 1.00 0.00 O ATOM 152 CB LYS A 15 -4.980 5.952 1.030 1.00 0.00 C ATOM 153 CG LYS A 15 -3.679 5.909 0.247 1.00 0.00 C ATOM 154 CD LYS A 15 -3.874 6.373 -1.186 1.00 0.00 C ATOM 155 CE LYS A 15 -2.609 7.005 -1.745 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.860 7.697 -3.040 1.00 0.00 N ATOM 0 H LYS A 15 -4.771 6.758 3.636 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.935 8.100 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.951 5.189 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.804 5.697 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.938 6.540 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.285 4.893 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.164 5.526 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.691 7.093 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.210 7.718 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.850 6.235 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.973 8.115 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.217 7.012 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.565 8.448 -2.901 1.00 0.00 H new ATOM 170 N GLU A 16 -7.372 8.414 1.206 1.00 0.00 N ATOM 171 CA GLU A 16 -8.802 8.666 1.342 1.00 0.00 C ATOM 172 C GLU A 16 -9.512 8.507 0.001 1.00 0.00 C ATOM 173 O GLU A 16 -9.362 9.337 -0.896 1.00 0.00 O ATOM 174 CB GLU A 16 -9.045 10.071 1.897 1.00 0.00 C ATOM 175 CG GLU A 16 -10.323 10.192 2.710 1.00 0.00 C ATOM 176 CD GLU A 16 -10.912 11.588 2.666 1.00 0.00 C ATOM 177 OE1 GLU A 16 -11.614 11.906 1.684 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.671 12.363 3.615 1.00 0.00 O ATOM 0 H GLU A 16 -6.899 9.017 0.533 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.209 7.933 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.199 10.357 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.083 10.778 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.057 9.480 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.118 9.921 3.746 1.00 0.00 H new ATOM 185 N LEU A 17 -10.286 7.435 -0.128 1.00 0.00 N ATOM 186 CA LEU A 17 -11.020 7.165 -1.360 1.00 0.00 C ATOM 187 C LEU A 17 -12.517 7.381 -1.160 1.00 0.00 C ATOM 188 O LEU A 17 -13.028 7.268 -0.045 1.00 0.00 O ATOM 189 CB LEU A 17 -10.758 5.733 -1.830 1.00 0.00 C ATOM 190 CG LEU A 17 -9.291 5.305 -1.892 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.173 3.792 -1.805 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.639 5.820 -3.167 1.00 0.00 C ATOM 0 H LEU A 17 -10.422 6.739 0.605 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.670 7.861 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.287 5.051 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.193 5.612 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.769 5.739 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.122 3.506 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.602 3.447 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.710 3.337 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.596 5.506 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.163 5.415 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.691 6.909 -3.188 1.00 0.00 H new ATOM 204 N THR A 18 -13.216 7.690 -2.248 1.00 0.00 N ATOM 205 CA THR A 18 -14.654 7.920 -2.192 1.00 0.00 C ATOM 206 C THR A 18 -15.381 7.116 -3.263 1.00 0.00 C ATOM 207 O THR A 18 -15.162 7.314 -4.459 1.00 0.00 O ATOM 208 CB THR A 18 -14.991 9.413 -2.370 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.090 10.214 -1.598 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.423 9.698 -1.945 1.00 0.00 C ATOM 0 H THR A 18 -12.809 7.787 -3.178 1.00 0.00 H new ATOM 0 HA THR A 18 -14.988 7.594 -1.207 1.00 0.00 H new ATOM 0 HB THR A 18 -14.885 9.664 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.310 11.161 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.638 10.758 -2.079 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.108 9.108 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.551 9.432 -0.896 1.00 0.00 H new ATOM 218 N LEU A 19 -16.248 6.208 -2.828 1.00 0.00 N ATOM 219 CA LEU A 19 -17.009 5.373 -3.751 1.00 0.00 C ATOM 220 C LEU A 19 -17.514 6.190 -4.935 1.00 0.00 C ATOM 221 O LEU A 19 -17.680 7.408 -4.855 1.00 0.00 O ATOM 222 CB LEU A 19 -18.188 4.721 -3.026 1.00 0.00 C ATOM 223 CG LEU A 19 -17.848 3.535 -2.123 1.00 0.00 C ATOM 224 CD1 LEU A 19 -19.064 3.118 -1.309 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.332 2.366 -2.950 1.00 0.00 C ATOM 0 H LEU A 19 -16.441 6.031 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.346 4.594 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.683 5.482 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.909 4.388 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.062 3.842 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.803 2.273 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.390 3.953 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.871 2.830 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.095 1.531 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.097 2.060 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.434 2.669 -3.488 1.00 0.00 H new ATOM 237 N PRO A 20 -17.767 5.507 -6.061 1.00 0.00 N ATOM 238 CA PRO A 20 -17.572 4.058 -6.169 1.00 0.00 C ATOM 239 C PRO A 20 -16.098 3.668 -6.147 1.00 0.00 C ATOM 240 O PRO A 20 -15.758 2.486 -6.189 1.00 0.00 O ATOM 241 CB PRO A 20 -18.196 3.716 -7.524 1.00 0.00 C ATOM 242 CG PRO A 20 -18.109 4.979 -8.311 1.00 0.00 C ATOM 243 CD PRO A 20 -18.262 6.097 -7.317 1.00 0.00 C ATOM 0 HA PRO A 20 -18.019 3.523 -5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.657 2.906 -8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.230 3.389 -7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.155 5.049 -8.833 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.891 5.021 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.682 6.973 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.300 6.417 -7.229 1.00 0.00 H new ATOM 251 N VAL A 21 -15.227 4.670 -6.080 1.00 0.00 N ATOM 252 CA VAL A 21 -13.789 4.431 -6.051 1.00 0.00 C ATOM 253 C VAL A 21 -13.424 3.403 -4.986 1.00 0.00 C ATOM 254 O VAL A 21 -13.318 3.731 -3.804 1.00 0.00 O ATOM 255 CB VAL A 21 -13.009 5.732 -5.783 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.511 5.468 -5.793 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.379 6.795 -6.805 1.00 0.00 C ATOM 0 H VAL A 21 -15.492 5.654 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.512 4.046 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.281 6.102 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.976 6.398 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.264 4.742 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.217 5.074 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.819 7.707 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.137 6.437 -7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.447 7.004 -6.743 1.00 0.00 H new ATOM 267 N ASP A 22 -13.233 2.160 -5.412 1.00 0.00 N ATOM 268 CA ASP A 22 -12.878 1.083 -4.495 1.00 0.00 C ATOM 269 C ASP A 22 -11.562 0.430 -4.906 1.00 0.00 C ATOM 270 O ASP A 22 -11.377 -0.775 -4.738 1.00 0.00 O ATOM 271 CB ASP A 22 -13.990 0.034 -4.451 1.00 0.00 C ATOM 272 CG ASP A 22 -14.664 -0.152 -5.796 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.948 -0.189 -6.818 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.908 -0.261 -5.826 1.00 0.00 O ATOM 0 H ASP A 22 -13.318 1.873 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.755 1.512 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.574 -0.918 -4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.735 0.329 -3.712 1.00 0.00 H new ATOM 279 N SER A 23 -10.652 1.234 -5.447 1.00 0.00 N ATOM 280 CA SER A 23 -9.355 0.733 -5.887 1.00 0.00 C ATOM 281 C SER A 23 -8.289 1.819 -5.780 1.00 0.00 C ATOM 282 O SER A 23 -8.507 2.963 -6.181 1.00 0.00 O ATOM 283 CB SER A 23 -9.443 0.229 -7.329 1.00 0.00 C ATOM 284 OG SER A 23 -9.806 1.275 -8.214 1.00 0.00 O ATOM 0 H SER A 23 -10.789 2.234 -5.591 1.00 0.00 H new ATOM 0 HA SER A 23 -9.072 -0.095 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.483 -0.190 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.176 -0.576 -7.392 1.00 0.00 H new ATOM 0 HG SER A 23 -9.854 0.927 -9.129 1.00 0.00 H new ATOM 290 N THR A 24 -7.133 1.453 -5.235 1.00 0.00 N ATOM 291 CA THR A 24 -6.032 2.394 -5.073 1.00 0.00 C ATOM 292 C THR A 24 -4.693 1.731 -5.374 1.00 0.00 C ATOM 293 O THR A 24 -4.605 0.508 -5.489 1.00 0.00 O ATOM 294 CB THR A 24 -5.995 2.975 -3.646 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.326 4.240 -3.650 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.288 2.024 -2.693 1.00 0.00 C ATOM 0 H THR A 24 -6.935 0.511 -4.898 1.00 0.00 H new ATOM 0 HA THR A 24 -6.201 3.203 -5.783 1.00 0.00 H new ATOM 0 HB THR A 24 -7.022 3.109 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.368 4.104 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.274 2.455 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.817 1.071 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.265 1.863 -3.033 1.00 0.00 H new ATOM 304 N THR A 25 -3.650 2.545 -5.501 1.00 0.00 N ATOM 305 CA THR A 25 -2.315 2.038 -5.789 1.00 0.00 C ATOM 306 C THR A 25 -1.318 2.473 -4.721 1.00 0.00 C ATOM 307 O THR A 25 -1.103 3.666 -4.507 1.00 0.00 O ATOM 308 CB THR A 25 -1.816 2.517 -7.165 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.009 3.931 -7.290 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.551 1.799 -8.287 1.00 0.00 C ATOM 0 H THR A 25 -3.705 3.559 -5.409 1.00 0.00 H new ATOM 0 HA THR A 25 -2.386 0.950 -5.795 1.00 0.00 H new ATOM 0 HB THR A 25 -0.753 2.287 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.806 4.366 -6.436 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.182 2.154 -9.249 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.380 0.726 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.619 2.003 -8.211 1.00 0.00 H new ATOM 318 N LEU A 26 -0.712 1.498 -4.052 1.00 0.00 N ATOM 319 CA LEU A 26 0.264 1.781 -3.005 1.00 0.00 C ATOM 320 C LEU A 26 1.684 1.748 -3.560 1.00 0.00 C ATOM 321 O LEU A 26 2.326 0.697 -3.589 1.00 0.00 O ATOM 322 CB LEU A 26 0.126 0.769 -1.866 1.00 0.00 C ATOM 323 CG LEU A 26 -1.243 0.703 -1.188 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.433 -0.638 -0.497 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.402 1.845 -0.195 1.00 0.00 C ATOM 0 H LEU A 26 -0.879 0.505 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 26 0.068 2.782 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.364 -0.221 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.874 1.002 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.012 0.805 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.413 -0.666 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.364 -1.439 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.658 -0.771 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.382 1.782 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.626 1.775 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.312 2.797 -0.718 1.00 0.00 H new ATOM 337 N ASP A 27 2.169 2.904 -3.999 1.00 0.00 N ATOM 338 CA ASP A 27 3.515 3.009 -4.551 1.00 0.00 C ATOM 339 C ASP A 27 4.534 3.282 -3.449 1.00 0.00 C ATOM 340 O ASP A 27 4.346 4.175 -2.623 1.00 0.00 O ATOM 341 CB ASP A 27 3.573 4.117 -5.603 1.00 0.00 C ATOM 342 CG ASP A 27 3.899 5.470 -5.002 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.096 5.746 -4.774 1.00 0.00 O ATOM 344 OD2 ASP A 27 2.958 6.254 -4.759 1.00 0.00 O ATOM 0 H ASP A 27 1.650 3.782 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 27 3.763 2.058 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.324 3.865 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.615 4.174 -6.120 1.00 0.00 H new ATOM 349 N GLY A 28 5.614 2.507 -3.443 1.00 0.00 N ATOM 350 CA GLY A 28 6.646 2.680 -2.437 1.00 0.00 C ATOM 351 C GLY A 28 8.028 2.820 -3.044 1.00 0.00 C ATOM 352 O GLY A 28 9.031 2.529 -2.393 1.00 0.00 O ATOM 0 H GLY A 28 5.793 1.762 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.423 3.565 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.635 1.827 -1.759 1.00 0.00 H new ATOM 493 N ILE A 38 16.251 -4.190 -2.765 1.00 0.00 N ATOM 494 CA ILE A 38 16.120 -5.275 -3.730 1.00 0.00 C ATOM 495 C ILE A 38 15.011 -6.240 -3.326 1.00 0.00 C ATOM 496 O ILE A 38 15.092 -7.440 -3.590 1.00 0.00 O ATOM 497 CB ILE A 38 17.438 -6.058 -3.879 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.832 -6.694 -2.544 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.544 -5.143 -4.383 1.00 0.00 C ATOM 500 CD1 ILE A 38 17.282 -8.090 -2.354 1.00 0.00 C ATOM 0 HA ILE A 38 15.869 -4.817 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 38 17.291 -6.853 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 38 18.919 -6.728 -2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 38 17.480 -6.060 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.469 -5.711 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 38 18.263 -4.733 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.693 -4.328 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 38 17.601 -8.478 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 38 16.193 -8.060 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 38 17.655 -8.739 -3.146 1.00 0.00 H new ATOM 512 N SER A 39 13.975 -5.708 -2.685 1.00 0.00 N ATOM 513 CA SER A 39 12.850 -6.522 -2.242 1.00 0.00 C ATOM 514 C SER A 39 11.596 -5.670 -2.074 1.00 0.00 C ATOM 515 O SER A 39 11.672 -4.501 -1.695 1.00 0.00 O ATOM 516 CB SER A 39 13.186 -7.220 -0.923 1.00 0.00 C ATOM 517 OG SER A 39 12.020 -7.436 -0.148 1.00 0.00 O ATOM 0 H SER A 39 13.892 -4.716 -2.461 1.00 0.00 H new ATOM 0 HA SER A 39 12.657 -7.276 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.673 -8.174 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.895 -6.615 -0.358 1.00 0.00 H new ATOM 0 HG SER A 39 12.262 -7.885 0.689 1.00 0.00 H new ATOM 523 N TYR A 40 10.442 -6.264 -2.359 1.00 0.00 N ATOM 524 CA TYR A 40 9.171 -5.560 -2.243 1.00 0.00 C ATOM 525 C TYR A 40 8.042 -6.528 -1.900 1.00 0.00 C ATOM 526 O TYR A 40 7.832 -7.526 -2.590 1.00 0.00 O ATOM 527 CB TYR A 40 8.849 -4.826 -3.546 1.00 0.00 C ATOM 528 CG TYR A 40 9.686 -3.586 -3.764 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.553 -2.479 -2.935 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.610 -3.521 -4.800 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.316 -1.344 -3.131 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.377 -2.391 -5.003 1.00 0.00 C ATOM 533 CZ TYR A 40 11.226 -1.305 -4.166 1.00 0.00 C ATOM 534 OH TYR A 40 11.988 -0.176 -4.366 1.00 0.00 O ATOM 0 H TYR A 40 10.361 -7.231 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 40 9.260 -4.832 -1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.999 -5.507 -4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.795 -4.548 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.841 -2.506 -2.123 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.730 -4.369 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.200 -0.492 -2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.091 -2.358 -5.813 1.00 0.00 H new ATOM 0 HH TYR A 40 12.579 -0.313 -5.135 1.00 0.00 H new ATOM 544 N LEU A 41 7.317 -6.225 -0.828 1.00 0.00 N ATOM 545 CA LEU A 41 6.208 -7.066 -0.391 1.00 0.00 C ATOM 546 C LEU A 41 5.078 -6.220 0.187 1.00 0.00 C ATOM 547 O LEU A 41 5.316 -5.306 0.977 1.00 0.00 O ATOM 548 CB LEU A 41 6.689 -8.076 0.651 1.00 0.00 C ATOM 549 CG LEU A 41 5.855 -9.351 0.785 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.735 -10.054 -0.559 1.00 0.00 C ATOM 551 CD2 LEU A 41 6.466 -10.281 1.823 1.00 0.00 C ATOM 0 H LEU A 41 7.478 -5.403 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 41 5.827 -7.603 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.713 -8.359 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.718 -7.581 1.622 1.00 0.00 H new ATOM 0 HG LEU A 41 4.855 -9.075 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.138 -10.959 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.252 -9.389 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.728 -10.318 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.860 -11.183 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.478 -10.550 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.499 -9.777 2.789 1.00 0.00 H new ATOM 563 N TRP A 42 3.850 -6.532 -0.211 1.00 0.00 N ATOM 564 CA TRP A 42 2.683 -5.801 0.269 1.00 0.00 C ATOM 565 C TRP A 42 1.641 -6.756 0.842 1.00 0.00 C ATOM 566 O TRP A 42 1.183 -7.671 0.158 1.00 0.00 O ATOM 567 CB TRP A 42 2.069 -4.977 -0.864 1.00 0.00 C ATOM 568 CG TRP A 42 2.835 -3.725 -1.169 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.855 -3.586 -2.066 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.641 -2.436 -0.576 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.308 -2.289 -2.066 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.579 -1.563 -1.161 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.766 -1.935 0.391 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.665 -0.219 -0.809 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.853 -0.600 0.740 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.796 0.246 0.141 1.00 0.00 C ATOM 0 H TRP A 42 3.637 -7.286 -0.864 1.00 0.00 H new ATOM 0 HA TRP A 42 3.008 -5.128 1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.017 -5.591 -1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.045 -4.713 -0.598 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.248 -4.379 -2.685 1.00 0.00 H new ATOM 0 HE1 TRP A 42 5.064 -1.925 -2.646 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.035 -2.579 0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.392 0.434 -1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.182 -0.202 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.838 1.285 0.434 1.00 0.00 H new ATOM 587 N GLU A 43 1.271 -6.537 2.100 1.00 0.00 N ATOM 588 CA GLU A 43 0.283 -7.380 2.763 1.00 0.00 C ATOM 589 C GLU A 43 -0.610 -6.551 3.681 1.00 0.00 C ATOM 590 O GLU A 43 -0.155 -5.602 4.319 1.00 0.00 O ATOM 591 CB GLU A 43 0.977 -8.482 3.566 1.00 0.00 C ATOM 592 CG GLU A 43 1.837 -9.404 2.718 1.00 0.00 C ATOM 593 CD GLU A 43 2.342 -10.606 3.492 1.00 0.00 C ATOM 594 OE1 GLU A 43 3.379 -10.479 4.176 1.00 0.00 O ATOM 595 OE2 GLU A 43 1.700 -11.674 3.413 1.00 0.00 O ATOM 0 H GLU A 43 1.640 -5.784 2.680 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.341 -7.838 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.600 -8.023 4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.221 -9.075 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.259 -9.746 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.687 -8.845 2.328 1.00 0.00 H new ATOM 602 N LYS A 44 -1.886 -6.917 3.743 1.00 0.00 N ATOM 603 CA LYS A 44 -2.846 -6.210 4.583 1.00 0.00 C ATOM 604 C LYS A 44 -2.754 -6.683 6.030 1.00 0.00 C ATOM 605 O LYS A 44 -3.055 -7.837 6.338 1.00 0.00 O ATOM 606 CB LYS A 44 -4.267 -6.418 4.056 1.00 0.00 C ATOM 607 CG LYS A 44 -5.333 -5.731 4.892 1.00 0.00 C ATOM 608 CD LYS A 44 -6.670 -5.695 4.171 1.00 0.00 C ATOM 609 CE LYS A 44 -7.246 -7.092 3.996 1.00 0.00 C ATOM 610 NZ LYS A 44 -7.733 -7.657 5.284 1.00 0.00 N ATOM 0 H LYS A 44 -2.280 -7.700 3.221 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.606 -5.147 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.324 -6.046 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.479 -7.487 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.445 -6.254 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.016 -4.714 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.371 -5.079 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.546 -5.226 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.068 -7.059 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.484 -7.749 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.102 -8.616 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.948 -7.697 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.490 -7.053 5.664 1.00 0.00 H new ATOM 624 N THR A 45 -2.338 -5.784 6.917 1.00 0.00 N ATOM 625 CA THR A 45 -2.208 -6.109 8.331 1.00 0.00 C ATOM 626 C THR A 45 -3.567 -6.114 9.022 1.00 0.00 C ATOM 627 O THR A 45 -3.950 -7.101 9.649 1.00 0.00 O ATOM 628 CB THR A 45 -1.281 -5.113 9.054 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.383 -3.820 8.447 1.00 0.00 O ATOM 630 CG2 THR A 45 0.164 -5.588 9.008 1.00 0.00 C ATOM 0 H THR A 45 -2.085 -4.825 6.680 1.00 0.00 H new ATOM 0 HA THR A 45 -1.772 -7.106 8.387 1.00 0.00 H new ATOM 0 HB THR A 45 -1.593 -5.050 10.096 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.274 -3.713 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.800 -4.869 9.525 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.243 -6.559 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.485 -5.676 7.970 1.00 0.00 H new ATOM 638 N GLN A 46 -4.290 -5.005 8.902 1.00 0.00 N ATOM 639 CA GLN A 46 -5.607 -4.883 9.516 1.00 0.00 C ATOM 640 C GLN A 46 -6.675 -4.605 8.463 1.00 0.00 C ATOM 641 O GLN A 46 -6.386 -4.562 7.268 1.00 0.00 O ATOM 642 CB GLN A 46 -5.603 -3.768 10.563 1.00 0.00 C ATOM 643 CG GLN A 46 -5.233 -4.245 11.958 1.00 0.00 C ATOM 644 CD GLN A 46 -4.824 -3.108 12.874 1.00 0.00 C ATOM 645 OE1 GLN A 46 -4.104 -2.196 12.466 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.281 -3.157 14.120 1.00 0.00 N ATOM 0 H GLN A 46 -3.986 -4.179 8.386 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.842 -5.829 10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.900 -2.994 10.255 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.591 -3.308 10.595 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.082 -4.771 12.395 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.415 -4.962 11.888 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.875 -3.932 14.415 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.038 -2.420 14.782 1.00 0.00 H new ATOM 655 N GLY A 47 -7.910 -4.415 8.916 1.00 0.00 N ATOM 656 CA GLY A 47 -9.003 -4.144 8.000 1.00 0.00 C ATOM 657 C GLY A 47 -9.762 -5.398 7.615 1.00 0.00 C ATOM 658 O GLY A 47 -9.340 -6.518 7.904 1.00 0.00 O ATOM 0 H GLY A 47 -8.174 -4.444 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.690 -3.434 8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.610 -3.670 7.100 1.00 0.00 H new ATOM 662 N PRO A 48 -10.912 -5.217 6.948 1.00 0.00 N ATOM 663 CA PRO A 48 -11.757 -6.332 6.510 1.00 0.00 C ATOM 664 C PRO A 48 -11.117 -7.137 5.385 1.00 0.00 C ATOM 665 O PRO A 48 -10.327 -6.608 4.602 1.00 0.00 O ATOM 666 CB PRO A 48 -13.030 -5.640 6.016 1.00 0.00 C ATOM 667 CG PRO A 48 -12.590 -4.271 5.627 1.00 0.00 C ATOM 668 CD PRO A 48 -11.475 -3.910 6.570 1.00 0.00 C ATOM 0 HA PRO A 48 -11.930 -7.051 7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.466 -6.171 5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.790 -5.605 6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.248 -4.250 4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.412 -3.560 5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.731 -3.276 6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.844 -3.365 7.439 1.00 0.00 H new ATOM 676 N ASP A 49 -11.463 -8.418 5.308 1.00 0.00 N ATOM 677 CA ASP A 49 -10.923 -9.295 4.276 1.00 0.00 C ATOM 678 C ASP A 49 -11.799 -9.270 3.028 1.00 0.00 C ATOM 679 O ASP A 49 -12.976 -8.916 3.091 1.00 0.00 O ATOM 680 CB ASP A 49 -10.806 -10.726 4.804 1.00 0.00 C ATOM 681 CG ASP A 49 -9.793 -11.548 4.030 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.649 -11.076 3.865 1.00 0.00 O ATOM 683 OD2 ASP A 49 -10.145 -12.662 3.592 1.00 0.00 O ATOM 0 H ASP A 49 -12.115 -8.872 5.948 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.931 -8.932 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.521 -10.700 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.781 -11.211 4.750 1.00 0.00 H new ATOM 688 N GLY A 50 -11.217 -9.648 1.894 1.00 0.00 N ATOM 689 CA GLY A 50 -11.959 -9.660 0.647 1.00 0.00 C ATOM 690 C GLY A 50 -11.216 -8.965 -0.477 1.00 0.00 C ATOM 691 O GLY A 50 -11.111 -9.496 -1.583 1.00 0.00 O ATOM 0 H GLY A 50 -10.245 -9.946 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.164 -10.691 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.923 -9.173 0.797 1.00 0.00 H new ATOM 695 N VAL A 51 -10.699 -7.773 -0.195 1.00 0.00 N ATOM 696 CA VAL A 51 -9.962 -7.005 -1.191 1.00 0.00 C ATOM 697 C VAL A 51 -8.973 -7.887 -1.944 1.00 0.00 C ATOM 698 O VAL A 51 -8.660 -8.995 -1.510 1.00 0.00 O ATOM 699 CB VAL A 51 -9.199 -5.834 -0.544 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.170 -4.853 0.097 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.198 -6.350 0.478 1.00 0.00 C ATOM 0 H VAL A 51 -10.777 -7.319 0.715 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.697 -6.608 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.649 -5.307 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.613 -4.032 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.844 -4.459 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.750 -5.364 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.668 -5.509 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.725 -6.902 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.483 -7.009 -0.014 1.00 0.00 H new ATOM 711 N GLN A 52 -8.485 -7.387 -3.075 1.00 0.00 N ATOM 712 CA GLN A 52 -7.531 -8.130 -3.889 1.00 0.00 C ATOM 713 C GLN A 52 -6.273 -7.306 -4.143 1.00 0.00 C ATOM 714 O GLN A 52 -6.331 -6.238 -4.754 1.00 0.00 O ATOM 715 CB GLN A 52 -8.169 -8.532 -5.221 1.00 0.00 C ATOM 716 CG GLN A 52 -8.900 -9.864 -5.168 1.00 0.00 C ATOM 717 CD GLN A 52 -7.957 -11.050 -5.233 1.00 0.00 C ATOM 718 OE1 GLN A 52 -6.746 -10.887 -5.384 1.00 0.00 O ATOM 719 NE2 GLN A 52 -8.510 -12.252 -5.119 1.00 0.00 N ATOM 0 H GLN A 52 -8.735 -6.471 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.249 -9.030 -3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.869 -7.755 -5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.393 -8.583 -5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.483 -9.918 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.606 -9.920 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.519 -12.340 -4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.926 -13.088 -5.155 1.00 0.00 H new ATOM 728 N LEU A 53 -5.138 -7.809 -3.670 1.00 0.00 N ATOM 729 CA LEU A 53 -3.865 -7.119 -3.845 1.00 0.00 C ATOM 730 C LEU A 53 -3.163 -7.585 -5.117 1.00 0.00 C ATOM 731 O LEU A 53 -2.927 -8.778 -5.304 1.00 0.00 O ATOM 732 CB LEU A 53 -2.962 -7.358 -2.634 1.00 0.00 C ATOM 733 CG LEU A 53 -3.064 -6.330 -1.507 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.789 -6.983 -0.161 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.101 -5.177 -1.748 1.00 0.00 C ATOM 0 H LEU A 53 -5.073 -8.692 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.068 -6.052 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.191 -8.341 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.928 -7.389 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.079 -5.933 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.866 -6.236 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.518 -7.774 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.785 -7.408 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.187 -4.455 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.080 -5.558 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.344 -4.691 -2.693 1.00 0.00 H new ATOM 747 N GLU A 54 -2.831 -6.635 -5.986 1.00 0.00 N ATOM 748 CA GLU A 54 -2.155 -6.949 -7.239 1.00 0.00 C ATOM 749 C GLU A 54 -0.729 -6.406 -7.239 1.00 0.00 C ATOM 750 O GLU A 54 -0.476 -5.298 -6.768 1.00 0.00 O ATOM 751 CB GLU A 54 -2.933 -6.371 -8.423 1.00 0.00 C ATOM 752 CG GLU A 54 -4.003 -7.305 -8.963 1.00 0.00 C ATOM 753 CD GLU A 54 -5.134 -6.563 -9.647 1.00 0.00 C ATOM 754 OE1 GLU A 54 -4.846 -5.683 -10.486 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.308 -6.862 -9.344 1.00 0.00 O ATOM 0 H GLU A 54 -3.019 -5.642 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.112 -8.034 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.400 -5.435 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.234 -6.132 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.550 -8.000 -9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.407 -7.901 -8.144 1.00 0.00 H new ATOM 762 N ASN A 55 0.199 -7.195 -7.770 1.00 0.00 N ATOM 763 CA ASN A 55 1.600 -6.795 -7.830 1.00 0.00 C ATOM 764 C ASN A 55 2.135 -6.478 -6.438 1.00 0.00 C ATOM 765 O ASN A 55 2.901 -5.532 -6.257 1.00 0.00 O ATOM 766 CB ASN A 55 1.765 -5.577 -8.742 1.00 0.00 C ATOM 767 CG ASN A 55 1.977 -5.966 -10.193 1.00 0.00 C ATOM 768 OD1 ASN A 55 3.103 -6.219 -10.620 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.892 -6.013 -10.957 1.00 0.00 N ATOM 0 H ASN A 55 0.006 -8.115 -8.165 1.00 0.00 H new ATOM 0 HA ASN A 55 2.173 -7.627 -8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.880 -4.945 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.612 -4.983 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.972 -6.267 -11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.022 -5.795 -10.559 1.00 0.00 H new ATOM 776 N ALA A 56 1.727 -7.276 -5.457 1.00 0.00 N ATOM 777 CA ALA A 56 2.168 -7.082 -4.081 1.00 0.00 C ATOM 778 C ALA A 56 3.665 -7.339 -3.943 1.00 0.00 C ATOM 779 O ALA A 56 4.314 -6.811 -3.041 1.00 0.00 O ATOM 780 CB ALA A 56 1.386 -7.990 -3.143 1.00 0.00 C ATOM 0 H ALA A 56 1.092 -8.063 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 56 1.977 -6.044 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.726 -7.835 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.324 -7.756 -3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.548 -9.030 -3.425 1.00 0.00 H new ATOM 786 N ASN A 57 4.206 -8.155 -4.842 1.00 0.00 N ATOM 787 CA ASN A 57 5.627 -8.483 -4.819 1.00 0.00 C ATOM 788 C ASN A 57 6.444 -7.414 -5.538 1.00 0.00 C ATOM 789 O ASN A 57 7.561 -7.669 -5.987 1.00 0.00 O ATOM 790 CB ASN A 57 5.867 -9.847 -5.468 1.00 0.00 C ATOM 791 CG ASN A 57 5.421 -10.995 -4.583 1.00 0.00 C ATOM 792 OD1 ASN A 57 6.179 -11.474 -3.740 1.00 0.00 O ATOM 793 ND2 ASN A 57 4.185 -11.442 -4.773 1.00 0.00 N ATOM 0 H ASN A 57 3.682 -8.601 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 57 5.949 -8.522 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.332 -9.894 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.928 -9.957 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.829 -12.213 -4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.592 -11.014 -5.484 1.00 0.00 H new ATOM 800 N SER A 58 5.878 -6.215 -5.643 1.00 0.00 N ATOM 801 CA SER A 58 6.552 -5.108 -6.310 1.00 0.00 C ATOM 802 C SER A 58 6.499 -3.845 -5.455 1.00 0.00 C ATOM 803 O SER A 58 5.887 -3.831 -4.387 1.00 0.00 O ATOM 804 CB SER A 58 5.912 -4.841 -7.674 1.00 0.00 C ATOM 805 OG SER A 58 6.130 -5.925 -8.560 1.00 0.00 O ATOM 0 H SER A 58 4.955 -5.986 -5.275 1.00 0.00 H new ATOM 0 HA SER A 58 7.596 -5.385 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.841 -4.677 -7.551 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.327 -3.928 -8.102 1.00 0.00 H new ATOM 0 HG SER A 58 5.710 -5.731 -9.424 1.00 0.00 H new ATOM 811 N SER A 59 7.145 -2.787 -5.933 1.00 0.00 N ATOM 812 CA SER A 59 7.176 -1.520 -5.212 1.00 0.00 C ATOM 813 C SER A 59 5.848 -0.782 -5.354 1.00 0.00 C ATOM 814 O SER A 59 5.505 0.066 -4.530 1.00 0.00 O ATOM 815 CB SER A 59 8.318 -0.642 -5.729 1.00 0.00 C ATOM 816 OG SER A 59 8.758 0.262 -4.731 1.00 0.00 O ATOM 0 H SER A 59 7.654 -2.782 -6.817 1.00 0.00 H new ATOM 0 HA SER A 59 7.342 -1.735 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.150 -1.271 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.986 -0.087 -6.606 1.00 0.00 H new ATOM 0 HG SER A 59 9.631 -0.025 -4.391 1.00 0.00 H new ATOM 822 N VAL A 60 5.105 -1.111 -6.405 1.00 0.00 N ATOM 823 CA VAL A 60 3.814 -0.481 -6.656 1.00 0.00 C ATOM 824 C VAL A 60 2.699 -1.519 -6.717 1.00 0.00 C ATOM 825 O VAL A 60 2.564 -2.243 -7.703 1.00 0.00 O ATOM 826 CB VAL A 60 3.826 0.321 -7.971 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.472 0.970 -8.214 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.931 1.366 -7.947 1.00 0.00 C ATOM 0 H VAL A 60 5.375 -1.810 -7.097 1.00 0.00 H new ATOM 0 HA VAL A 60 3.628 0.200 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 60 4.025 -0.366 -8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.500 1.532 -9.147 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.705 0.198 -8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.239 1.645 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.925 1.923 -8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.766 2.051 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.895 0.873 -7.824 1.00 0.00 H new ATOM 838 N ALA A 61 1.901 -1.586 -5.656 1.00 0.00 N ATOM 839 CA ALA A 61 0.795 -2.533 -5.590 1.00 0.00 C ATOM 840 C ALA A 61 -0.535 -1.846 -5.876 1.00 0.00 C ATOM 841 O ALA A 61 -0.627 -0.617 -5.864 1.00 0.00 O ATOM 842 CB ALA A 61 0.760 -3.209 -4.227 1.00 0.00 C ATOM 0 H ALA A 61 2.000 -0.995 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 61 0.953 -3.292 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.071 -3.914 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.696 -3.743 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.630 -2.455 -3.450 1.00 0.00 H new ATOM 848 N THR A 62 -1.566 -2.645 -6.135 1.00 0.00 N ATOM 849 CA THR A 62 -2.891 -2.113 -6.426 1.00 0.00 C ATOM 850 C THR A 62 -3.980 -2.979 -5.804 1.00 0.00 C ATOM 851 O THR A 62 -4.179 -4.126 -6.204 1.00 0.00 O ATOM 852 CB THR A 62 -3.135 -2.012 -7.944 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.091 -1.249 -8.559 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.481 -1.366 -8.234 1.00 0.00 C ATOM 0 H THR A 62 -1.508 -3.663 -6.149 1.00 0.00 H new ATOM 0 HA THR A 62 -2.933 -1.114 -5.992 1.00 0.00 H new ATOM 0 HB THR A 62 -3.138 -3.021 -8.357 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.253 -1.191 -9.524 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.631 -1.306 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.276 -1.966 -7.790 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.503 -0.363 -7.808 1.00 0.00 H new ATOM 862 N VAL A 63 -4.684 -2.423 -4.823 1.00 0.00 N ATOM 863 CA VAL A 63 -5.755 -3.144 -4.147 1.00 0.00 C ATOM 864 C VAL A 63 -7.117 -2.774 -4.723 1.00 0.00 C ATOM 865 O VAL A 63 -7.424 -1.596 -4.914 1.00 0.00 O ATOM 866 CB VAL A 63 -5.756 -2.859 -2.633 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.044 -3.357 -1.996 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.543 -3.496 -1.971 1.00 0.00 C ATOM 0 H VAL A 63 -4.531 -1.475 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.572 -4.206 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.699 -1.781 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.026 -3.147 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.895 -2.850 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.136 -4.432 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.559 -3.285 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.567 -4.574 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.633 -3.086 -2.408 1.00 0.00 H new ATOM 878 N THR A 64 -7.933 -3.787 -4.999 1.00 0.00 N ATOM 879 CA THR A 64 -9.262 -3.568 -5.554 1.00 0.00 C ATOM 880 C THR A 64 -10.332 -4.242 -4.702 1.00 0.00 C ATOM 881 O THR A 64 -10.043 -5.166 -3.943 1.00 0.00 O ATOM 882 CB THR A 64 -9.363 -4.098 -6.997 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.316 -5.529 -6.998 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.233 -3.548 -7.855 1.00 0.00 C ATOM 0 H THR A 64 -7.696 -4.767 -4.847 1.00 0.00 H new ATOM 0 HA THR A 64 -9.429 -2.491 -5.558 1.00 0.00 H new ATOM 0 HB THR A 64 -10.312 -3.766 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.383 -5.858 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.325 -3.936 -8.870 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.289 -2.460 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.275 -3.854 -7.435 1.00 0.00 H new ATOM 892 N GLY A 65 -11.569 -3.774 -4.834 1.00 0.00 N ATOM 893 CA GLY A 65 -12.663 -4.344 -4.070 1.00 0.00 C ATOM 894 C GLY A 65 -12.740 -3.787 -2.662 1.00 0.00 C ATOM 895 O GLY A 65 -13.054 -4.511 -1.716 1.00 0.00 O ATOM 0 H GLY A 65 -11.833 -3.010 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.603 -4.149 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.544 -5.426 -4.023 1.00 0.00 H new ATOM 899 N LEU A 66 -12.450 -2.499 -2.521 1.00 0.00 N ATOM 900 CA LEU A 66 -12.485 -1.844 -1.218 1.00 0.00 C ATOM 901 C LEU A 66 -13.912 -1.462 -0.839 1.00 0.00 C ATOM 902 O LEU A 66 -14.786 -1.360 -1.700 1.00 0.00 O ATOM 903 CB LEU A 66 -11.596 -0.600 -1.226 1.00 0.00 C ATOM 904 CG LEU A 66 -10.114 -0.835 -1.518 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.506 0.377 -2.206 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.361 -1.155 -0.234 1.00 0.00 C ATOM 0 H LEU A 66 -12.188 -1.887 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.108 -2.547 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.986 0.096 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.681 -0.111 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.027 -1.689 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.451 0.191 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.026 0.561 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.605 1.250 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.308 -1.319 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.456 -0.321 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.779 -2.054 0.219 1.00 0.00 H new ATOM 918 N GLN A 67 -14.139 -1.249 0.453 1.00 0.00 N ATOM 919 CA GLN A 67 -15.460 -0.876 0.944 1.00 0.00 C ATOM 920 C GLN A 67 -15.351 0.099 2.112 1.00 0.00 C ATOM 921 O GLN A 67 -14.316 0.178 2.774 1.00 0.00 O ATOM 922 CB GLN A 67 -16.239 -2.120 1.374 1.00 0.00 C ATOM 923 CG GLN A 67 -16.427 -3.135 0.258 1.00 0.00 C ATOM 924 CD GLN A 67 -17.482 -4.173 0.586 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.220 -5.135 1.309 1.00 0.00 O ATOM 926 NE2 GLN A 67 -18.684 -3.985 0.054 1.00 0.00 N ATOM 0 H GLN A 67 -13.426 -1.328 1.178 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.996 -0.384 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.717 -2.597 2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.217 -1.816 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.707 -2.615 -0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.478 -3.635 0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.858 -3.174 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.434 -4.652 0.239 1.00 0.00 H new ATOM 935 N VAL A 68 -16.426 0.840 2.361 1.00 0.00 N ATOM 936 CA VAL A 68 -16.452 1.809 3.450 1.00 0.00 C ATOM 937 C VAL A 68 -15.927 1.196 4.743 1.00 0.00 C ATOM 938 O VAL A 68 -16.687 0.629 5.527 1.00 0.00 O ATOM 939 CB VAL A 68 -17.875 2.346 3.690 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.915 3.216 4.937 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.364 3.120 2.475 1.00 0.00 C ATOM 0 H VAL A 68 -17.291 0.788 1.823 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.806 2.635 3.154 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.542 1.498 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.929 3.586 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.609 2.627 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.235 4.059 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.371 3.492 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.696 3.960 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.376 2.463 1.605 1.00 0.00 H new ATOM 951 N GLY A 69 -14.620 1.315 4.961 1.00 0.00 N ATOM 952 CA GLY A 69 -14.015 0.768 6.161 1.00 0.00 C ATOM 953 C GLY A 69 -12.569 1.192 6.326 1.00 0.00 C ATOM 954 O GLY A 69 -12.106 2.121 5.663 1.00 0.00 O ATOM 0 H GLY A 69 -13.970 1.781 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.586 1.090 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.070 -0.320 6.128 1.00 0.00 H new ATOM 958 N THR A 70 -11.852 0.510 7.214 1.00 0.00 N ATOM 959 CA THR A 70 -10.451 0.822 7.466 1.00 0.00 C ATOM 960 C THR A 70 -9.539 -0.283 6.947 1.00 0.00 C ATOM 961 O THR A 70 -9.772 -1.465 7.204 1.00 0.00 O ATOM 962 CB THR A 70 -10.184 1.030 8.969 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.262 1.763 9.562 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.876 1.775 9.188 1.00 0.00 C ATOM 0 H THR A 70 -12.219 -0.262 7.771 1.00 0.00 H new ATOM 0 HA THR A 70 -10.233 1.748 6.934 1.00 0.00 H new ATOM 0 HB THR A 70 -10.109 0.050 9.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.085 1.889 10.518 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.709 1.910 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.054 1.200 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.927 2.750 8.703 1.00 0.00 H new ATOM 972 N TYR A 71 -8.500 0.107 6.218 1.00 0.00 N ATOM 973 CA TYR A 71 -7.554 -0.852 5.661 1.00 0.00 C ATOM 974 C TYR A 71 -6.117 -0.441 5.968 1.00 0.00 C ATOM 975 O TYR A 71 -5.670 0.638 5.578 1.00 0.00 O ATOM 976 CB TYR A 71 -7.749 -0.974 4.149 1.00 0.00 C ATOM 977 CG TYR A 71 -9.092 -1.545 3.755 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.218 -0.734 3.677 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.237 -2.895 3.463 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.448 -1.251 3.319 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.463 -3.421 3.103 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.565 -2.595 3.032 1.00 0.00 C ATOM 983 OH TYR A 71 -12.788 -3.115 2.675 1.00 0.00 O ATOM 0 H TYR A 71 -8.291 1.081 5.999 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.743 -1.820 6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.636 0.011 3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.961 -1.606 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.130 0.319 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.376 -3.545 3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.313 -0.607 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.558 -4.473 2.878 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.708 -4.084 2.552 1.00 0.00 H new ATOM 993 N VAL A 72 -5.397 -1.310 6.671 1.00 0.00 N ATOM 994 CA VAL A 72 -4.010 -1.039 7.030 1.00 0.00 C ATOM 995 C VAL A 72 -3.058 -1.962 6.278 1.00 0.00 C ATOM 996 O VAL A 72 -2.934 -3.143 6.603 1.00 0.00 O ATOM 997 CB VAL A 72 -3.780 -1.206 8.544 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.429 -0.633 8.945 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.903 -0.545 9.329 1.00 0.00 C ATOM 0 H VAL A 72 -5.751 -2.207 7.003 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.806 -0.005 6.750 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.781 -2.270 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.284 -0.760 10.018 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.638 -1.156 8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.396 0.428 8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.725 -0.673 10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.936 0.518 9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.854 -1.006 9.062 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.386 -1.415 5.270 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.444 -2.189 4.470 1.00 0.00 C ATOM 1011 C PHE A 73 -0.006 -1.894 4.886 1.00 0.00 C ATOM 1012 O PHE A 73 0.416 -0.737 4.931 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.630 -1.879 2.983 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.022 -2.143 2.486 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.374 -3.394 2.004 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.979 -1.141 2.499 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.655 -3.641 1.546 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.261 -1.382 2.042 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.599 -2.633 1.564 1.00 0.00 C ATOM 0 H PHE A 73 -2.476 -0.439 4.988 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.644 -3.247 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.381 -0.833 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.926 -2.478 2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.639 -4.185 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.720 -0.160 2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.917 -4.621 1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.998 -0.593 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.600 -2.823 1.205 1.00 0.00 H new ATOM 1029 N THR A 74 0.744 -2.948 5.192 1.00 0.00 N ATOM 1030 CA THR A 74 2.134 -2.804 5.606 1.00 0.00 C ATOM 1031 C THR A 74 3.083 -3.345 4.544 1.00 0.00 C ATOM 1032 O THR A 74 3.028 -4.524 4.191 1.00 0.00 O ATOM 1033 CB THR A 74 2.401 -3.531 6.937 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.744 -2.847 8.010 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.894 -3.612 7.219 1.00 0.00 C ATOM 0 H THR A 74 0.411 -3.912 5.161 1.00 0.00 H new ATOM 0 HA THR A 74 2.315 -1.738 5.740 1.00 0.00 H new ATOM 0 HB THR A 74 2.007 -4.544 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.814 -3.151 8.071 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.058 -4.130 8.164 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.387 -4.159 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.308 -2.605 7.280 1.00 0.00 H new ATOM 1043 N LEU A 75 3.955 -2.479 4.039 1.00 0.00 N ATOM 1044 CA LEU A 75 4.918 -2.871 3.017 1.00 0.00 C ATOM 1045 C LEU A 75 6.219 -3.353 3.651 1.00 0.00 C ATOM 1046 O LEU A 75 6.933 -2.581 4.292 1.00 0.00 O ATOM 1047 CB LEU A 75 5.200 -1.698 2.076 1.00 0.00 C ATOM 1048 CG LEU A 75 6.530 -1.746 1.323 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.525 -2.872 0.301 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.808 -0.411 0.647 1.00 0.00 C ATOM 0 H LEU A 75 4.015 -1.501 4.321 1.00 0.00 H new ATOM 0 HA LEU A 75 4.488 -3.693 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.393 -1.643 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.167 -0.776 2.657 1.00 0.00 H new ATOM 0 HG LEU A 75 7.326 -1.940 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.480 -2.890 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.372 -3.824 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.719 -2.710 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.758 -0.463 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.009 -0.188 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.856 0.375 1.400 1.00 0.00 H new ATOM 1062 N THR A 76 6.524 -4.634 3.465 1.00 0.00 N ATOM 1063 CA THR A 76 7.739 -5.218 4.018 1.00 0.00 C ATOM 1064 C THR A 76 8.802 -5.398 2.940 1.00 0.00 C ATOM 1065 O THR A 76 8.632 -6.187 2.012 1.00 0.00 O ATOM 1066 CB THR A 76 7.457 -6.581 4.677 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.346 -6.472 5.574 1.00 0.00 O ATOM 1068 CG2 THR A 76 8.679 -7.079 5.435 1.00 0.00 C ATOM 0 H THR A 76 5.946 -5.286 2.935 1.00 0.00 H new ATOM 0 HA THR A 76 8.107 -4.526 4.775 1.00 0.00 H new ATOM 0 HB THR A 76 7.219 -7.297 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.173 -7.343 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.456 -8.043 5.892 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.515 -7.190 4.745 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.942 -6.362 6.212 1.00 0.00 H new ATOM 1076 N VAL A 77 9.900 -4.660 3.070 1.00 0.00 N ATOM 1077 CA VAL A 77 10.993 -4.740 2.108 1.00 0.00 C ATOM 1078 C VAL A 77 12.331 -4.942 2.811 1.00 0.00 C ATOM 1079 O VAL A 77 12.529 -4.486 3.937 1.00 0.00 O ATOM 1080 CB VAL A 77 11.069 -3.470 1.239 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.677 -3.033 0.808 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.778 -2.353 1.990 1.00 0.00 C ATOM 0 H VAL A 77 10.056 -4.000 3.832 1.00 0.00 H new ATOM 0 HA VAL A 77 10.789 -5.598 1.468 1.00 0.00 H new ATOM 0 HB VAL A 77 11.646 -3.698 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.751 -2.135 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.209 -3.829 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.073 -2.822 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.823 -1.463 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.230 -2.124 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.790 -2.670 2.243 1.00 0.00 H new ATOM 1092 N LYS A 78 13.248 -5.629 2.138 1.00 0.00 N ATOM 1093 CA LYS A 78 14.569 -5.892 2.696 1.00 0.00 C ATOM 1094 C LYS A 78 15.662 -5.337 1.789 1.00 0.00 C ATOM 1095 O LYS A 78 15.597 -5.473 0.567 1.00 0.00 O ATOM 1096 CB LYS A 78 14.771 -7.396 2.895 1.00 0.00 C ATOM 1097 CG LYS A 78 14.336 -7.892 4.263 1.00 0.00 C ATOM 1098 CD LYS A 78 14.512 -9.396 4.392 1.00 0.00 C ATOM 1099 CE LYS A 78 13.620 -10.147 3.416 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.731 -11.622 3.585 1.00 0.00 N ATOM 0 H LYS A 78 13.100 -6.014 1.205 1.00 0.00 H new ATOM 0 HA LYS A 78 14.634 -5.392 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.213 -7.934 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.824 -7.635 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.918 -7.389 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.291 -7.631 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.554 -9.658 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.279 -9.705 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.584 -9.842 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.891 -9.877 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.108 -12.098 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.715 -11.917 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.448 -11.883 4.551 1.00 0.00 H new ATOM 1114 N ASP A 79 16.666 -4.713 2.394 1.00 0.00 N ATOM 1115 CA ASP A 79 17.776 -4.139 1.641 1.00 0.00 C ATOM 1116 C ASP A 79 18.845 -5.191 1.362 1.00 0.00 C ATOM 1117 O ASP A 79 18.755 -6.322 1.840 1.00 0.00 O ATOM 1118 CB ASP A 79 18.386 -2.964 2.406 1.00 0.00 C ATOM 1119 CG ASP A 79 19.171 -2.031 1.505 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.542 -1.330 0.686 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.415 -2.003 1.618 1.00 0.00 O ATOM 0 H ASP A 79 16.735 -4.591 3.404 1.00 0.00 H new ATOM 0 HA ASP A 79 17.389 -3.779 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.592 -2.404 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.042 -3.345 3.189 1.00 0.00 H new ATOM 1126 N GLU A 80 19.854 -4.811 0.585 1.00 0.00 N ATOM 1127 CA GLU A 80 20.939 -5.723 0.242 1.00 0.00 C ATOM 1128 C GLU A 80 21.609 -6.269 1.499 1.00 0.00 C ATOM 1129 O GLU A 80 22.151 -7.374 1.497 1.00 0.00 O ATOM 1130 CB GLU A 80 21.973 -5.014 -0.635 1.00 0.00 C ATOM 1131 CG GLU A 80 21.383 -4.390 -1.888 1.00 0.00 C ATOM 1132 CD GLU A 80 22.420 -3.658 -2.719 1.00 0.00 C ATOM 1133 OE1 GLU A 80 23.409 -4.299 -3.131 1.00 0.00 O ATOM 1134 OE2 GLU A 80 22.242 -2.445 -2.956 1.00 0.00 O ATOM 0 H GLU A 80 19.943 -3.879 0.181 1.00 0.00 H new ATOM 0 HA GLU A 80 20.515 -6.559 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.463 -4.237 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.744 -5.729 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.921 -5.169 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.592 -3.695 -1.606 1.00 0.00 H new ATOM 1141 N ARG A 81 21.569 -5.485 2.572 1.00 0.00 N ATOM 1142 CA ARG A 81 22.175 -5.887 3.835 1.00 0.00 C ATOM 1143 C ARG A 81 21.190 -6.695 4.677 1.00 0.00 C ATOM 1144 O ARG A 81 21.373 -6.853 5.883 1.00 0.00 O ATOM 1145 CB ARG A 81 22.641 -4.658 4.617 1.00 0.00 C ATOM 1146 CG ARG A 81 23.849 -3.968 4.004 1.00 0.00 C ATOM 1147 CD ARG A 81 24.541 -3.060 5.008 1.00 0.00 C ATOM 1148 NE ARG A 81 25.893 -2.706 4.584 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.594 -1.713 5.119 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.074 -0.980 6.094 1.00 0.00 N ATOM 1151 NH2 ARG A 81 27.819 -1.451 4.680 1.00 0.00 N ATOM 0 H ARG A 81 21.123 -4.568 2.591 1.00 0.00 H new ATOM 0 HA ARG A 81 23.038 -6.515 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.819 -3.945 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.883 -4.957 5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.554 -4.718 3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.535 -3.384 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.953 -2.152 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.583 -3.557 5.977 1.00 0.00 H new ATOM 0 HE ARG A 81 26.322 -3.251 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.133 -1.178 6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.615 -0.218 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 81 28.223 -2.013 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 81 28.356 -0.688 5.092 1.00 0.00 H new ATOM 1165 N ASN A 82 20.146 -7.203 4.031 1.00 0.00 N ATOM 1166 CA ASN A 82 19.132 -7.994 4.719 1.00 0.00 C ATOM 1167 C ASN A 82 18.432 -7.164 5.792 1.00 0.00 C ATOM 1168 O ASN A 82 17.913 -7.705 6.770 1.00 0.00 O ATOM 1169 CB ASN A 82 19.765 -9.235 5.351 1.00 0.00 C ATOM 1170 CG ASN A 82 19.956 -10.359 4.351 1.00 0.00 C ATOM 1171 OD1 ASN A 82 20.321 -10.125 3.199 1.00 0.00 O ATOM 1172 ND2 ASN A 82 19.708 -11.588 4.788 1.00 0.00 N ATOM 0 H ASN A 82 19.980 -7.081 3.032 1.00 0.00 H new ATOM 0 HA ASN A 82 18.390 -8.307 3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.730 -8.968 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.136 -9.584 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.818 -12.384 4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.407 -11.736 5.751 1.00 0.00 H new ATOM 1179 N LEU A 83 18.421 -5.850 5.602 1.00 0.00 N ATOM 1180 CA LEU A 83 17.785 -4.945 6.553 1.00 0.00 C ATOM 1181 C LEU A 83 16.266 -5.071 6.492 1.00 0.00 C ATOM 1182 O LEU A 83 15.646 -4.730 5.485 1.00 0.00 O ATOM 1183 CB LEU A 83 18.199 -3.500 6.268 1.00 0.00 C ATOM 1184 CG LEU A 83 19.546 -3.062 6.846 1.00 0.00 C ATOM 1185 CD1 LEU A 83 19.985 -1.742 6.233 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.465 -2.949 8.361 1.00 0.00 C ATOM 0 H LEU A 83 18.845 -5.387 4.798 1.00 0.00 H new ATOM 0 HA LEU A 83 18.115 -5.220 7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.226 -3.357 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.426 -2.838 6.658 1.00 0.00 H new ATOM 0 HG LEU A 83 20.290 -3.819 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.945 -1.446 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.084 -1.857 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.241 -0.975 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.432 -2.636 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.708 -2.213 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.197 -3.917 8.784 1.00 0.00 H new ATOM 1198 N GLN A 84 15.674 -5.562 7.576 1.00 0.00 N ATOM 1199 CA GLN A 84 14.227 -5.731 7.645 1.00 0.00 C ATOM 1200 C GLN A 84 13.550 -4.446 8.109 1.00 0.00 C ATOM 1201 O GLN A 84 13.886 -3.901 9.160 1.00 0.00 O ATOM 1202 CB GLN A 84 13.872 -6.880 8.591 1.00 0.00 C ATOM 1203 CG GLN A 84 12.586 -7.600 8.218 1.00 0.00 C ATOM 1204 CD GLN A 84 12.822 -8.765 7.277 1.00 0.00 C ATOM 1205 OE1 GLN A 84 13.678 -9.614 7.525 1.00 0.00 O ATOM 1206 NE2 GLN A 84 12.061 -8.812 6.190 1.00 0.00 N ATOM 0 H GLN A 84 16.173 -5.850 8.418 1.00 0.00 H new ATOM 0 HA GLN A 84 13.866 -5.968 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.691 -7.599 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.779 -6.490 9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.101 -7.962 9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.901 -6.893 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.363 -8.087 6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.174 -9.574 5.521 1.00 0.00 H new ATOM 1215 N SER A 85 12.595 -3.967 7.318 1.00 0.00 N ATOM 1216 CA SER A 85 11.873 -2.743 7.646 1.00 0.00 C ATOM 1217 C SER A 85 10.552 -2.672 6.887 1.00 0.00 C ATOM 1218 O SER A 85 10.431 -3.196 5.780 1.00 0.00 O ATOM 1219 CB SER A 85 12.729 -1.518 7.319 1.00 0.00 C ATOM 1220 OG SER A 85 12.410 -0.431 8.170 1.00 0.00 O ATOM 0 H SER A 85 12.303 -4.408 6.446 1.00 0.00 H new ATOM 0 HA SER A 85 11.658 -2.752 8.715 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.784 -1.769 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.573 -1.228 6.280 1.00 0.00 H new ATOM 0 HG SER A 85 12.972 0.339 7.942 1.00 0.00 H new ATOM 1226 N GLN A 86 9.564 -2.019 7.491 1.00 0.00 N ATOM 1227 CA GLN A 86 8.251 -1.880 6.873 1.00 0.00 C ATOM 1228 C GLN A 86 7.480 -0.717 7.489 1.00 0.00 C ATOM 1229 O GLN A 86 7.848 -0.207 8.547 1.00 0.00 O ATOM 1230 CB GLN A 86 7.452 -3.175 7.025 1.00 0.00 C ATOM 1231 CG GLN A 86 7.002 -3.449 8.451 1.00 0.00 C ATOM 1232 CD GLN A 86 6.885 -4.930 8.752 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.719 -5.346 9.232 1.00 0.00 O flip ATOM 1234 NE2 GLN A 86 7.832 -5.692 8.556 1.00 0.00 N flip ATOM 0 H GLN A 86 9.648 -1.578 8.407 1.00 0.00 H new ATOM 0 HA GLN A 86 8.397 -1.674 5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.575 -3.129 6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.060 -4.010 6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.710 -2.996 9.145 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.038 -2.970 8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.710 -5.329 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.738 -6.686 8.764 1.00 0.00 H new ATOM 1243 N SER A 87 6.408 -0.304 6.821 1.00 0.00 N ATOM 1244 CA SER A 87 5.587 0.801 7.301 1.00 0.00 C ATOM 1245 C SER A 87 4.118 0.578 6.952 1.00 0.00 C ATOM 1246 O SER A 87 3.794 0.056 5.886 1.00 0.00 O ATOM 1247 CB SER A 87 6.070 2.122 6.700 1.00 0.00 C ATOM 1248 OG SER A 87 5.280 3.208 7.153 1.00 0.00 O ATOM 0 H SER A 87 6.088 -0.718 5.946 1.00 0.00 H new ATOM 0 HA SER A 87 5.682 0.847 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.113 2.289 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.028 2.067 5.612 1.00 0.00 H new ATOM 0 HG SER A 87 5.610 4.041 6.756 1.00 0.00 H new ATOM 1254 N SER A 88 3.234 0.978 7.860 1.00 0.00 N ATOM 1255 CA SER A 88 1.799 0.819 7.652 1.00 0.00 C ATOM 1256 C SER A 88 1.167 2.132 7.201 1.00 0.00 C ATOM 1257 O SER A 88 1.608 3.214 7.592 1.00 0.00 O ATOM 1258 CB SER A 88 1.127 0.331 8.937 1.00 0.00 C ATOM 1259 OG SER A 88 1.730 0.912 10.080 1.00 0.00 O ATOM 0 H SER A 88 3.486 1.415 8.747 1.00 0.00 H new ATOM 0 HA SER A 88 1.650 0.076 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.066 0.582 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.197 -0.755 8.998 1.00 0.00 H new ATOM 0 HG SER A 88 1.282 0.586 10.888 1.00 0.00 H new ATOM 1265 N VAL A 89 0.130 2.030 6.376 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.565 3.208 5.871 1.00 0.00 C ATOM 1267 C VAL A 89 -2.065 3.111 6.123 1.00 0.00 C ATOM 1268 O VAL A 89 -2.687 2.086 5.845 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.320 3.402 4.363 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.788 2.181 3.585 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.017 4.659 3.867 1.00 0.00 C ATOM 0 H VAL A 89 -0.248 1.143 6.043 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.164 4.067 6.409 1.00 0.00 H new ATOM 0 HB VAL A 89 0.751 3.520 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.607 2.336 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.239 1.302 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.854 2.029 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.833 4.780 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.089 4.574 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.629 5.526 4.403 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.642 4.186 6.652 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.071 4.222 6.941 1.00 0.00 C ATOM 1283 C ASN A 90 -4.875 4.513 5.678 1.00 0.00 C ATOM 1284 O ASN A 90 -4.769 5.592 5.096 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.370 5.281 8.005 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.186 4.753 9.414 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.415 3.573 9.682 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.770 5.627 10.323 1.00 0.00 N ATOM 0 H ASN A 90 -2.142 5.043 6.889 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.365 3.243 7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.716 6.139 7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.394 5.635 7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.628 5.330 11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.593 6.595 10.056 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.680 3.541 5.259 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.504 3.693 4.066 1.00 0.00 C ATOM 1297 C VAL A 91 -7.986 3.737 4.423 1.00 0.00 C ATOM 1298 O VAL A 91 -8.600 2.705 4.695 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.262 2.546 3.067 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.190 2.676 1.869 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.807 2.523 2.625 1.00 0.00 C ATOM 0 H VAL A 91 -5.779 2.641 5.728 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.217 4.636 3.602 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.482 1.602 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.004 1.857 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.226 2.639 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.006 3.626 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.654 1.706 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.558 3.469 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.165 2.377 3.494 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.554 4.938 4.419 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.964 5.116 4.741 1.00 0.00 C ATOM 1313 C ILE A 92 -10.805 5.249 3.475 1.00 0.00 C ATOM 1314 O ILE A 92 -10.444 5.979 2.552 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.188 6.357 5.625 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.372 6.245 6.914 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.667 6.524 5.940 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.957 7.584 7.485 1.00 0.00 C ATOM 0 H ILE A 92 -8.060 5.802 4.196 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.276 4.228 5.290 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.852 7.239 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.957 5.707 7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.480 5.650 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.809 7.405 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.225 6.644 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.028 5.642 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.382 7.428 8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.345 8.116 6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.845 8.174 7.712 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.928 4.540 3.440 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.822 4.581 2.289 1.00 0.00 C ATOM 1332 C VAL A 93 -14.176 5.174 2.665 1.00 0.00 C ATOM 1333 O VAL A 93 -14.757 4.821 3.692 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.037 3.176 1.695 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.073 3.220 0.582 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.721 2.606 1.188 1.00 0.00 C ATOM 0 H VAL A 93 -12.241 3.930 4.195 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.346 5.215 1.541 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.412 2.521 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.212 2.219 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.020 3.584 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.731 3.889 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.891 1.613 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.315 3.259 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.012 2.537 2.013 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.673 6.077 1.827 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.960 6.719 2.069 1.00 0.00 C ATOM 1348 C LYS A 94 -16.977 6.318 1.005 1.00 0.00 C ATOM 1349 O LYS A 94 -16.648 5.606 0.057 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.798 8.241 2.088 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.496 8.804 3.466 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.069 8.502 3.891 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.701 9.238 5.171 1.00 0.00 C ATOM 1354 NZ LYS A 94 -14.267 8.572 6.376 1.00 0.00 N ATOM 0 H LYS A 94 -14.204 6.381 0.974 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.327 6.387 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.995 8.521 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.711 8.700 1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.655 9.882 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.190 8.382 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.952 7.429 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.382 8.789 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.616 9.290 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.066 10.264 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.786 8.927 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.284 8.779 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.127 7.544 6.303 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.212 6.782 1.169 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.275 6.471 0.221 1.00 0.00 C ATOM 1370 C GLU A 95 -19.648 7.702 -0.601 1.00 0.00 C ATOM 1371 O GLU A 95 -19.393 8.834 -0.192 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.508 5.944 0.959 1.00 0.00 C ATOM 1373 CG GLU A 95 -21.074 6.923 1.974 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.493 6.580 2.386 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -23.343 6.397 1.489 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.754 6.496 3.604 1.00 0.00 O ATOM 0 H GLU A 95 -18.500 7.374 1.948 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.909 5.700 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.281 5.702 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.247 5.016 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.436 6.934 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.055 7.928 1.554 1.00 0.00 H new