USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=20 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 52 GLN : amide:sc= 0 X(o=-0.48,f=-0.48) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= -0.484 USER MOD Set 2.1: A 45 THR OG1 : rot 5:sc= 0.545 USER MOD Set 2.2: A 74 THR OG1 : rot -150:sc= -0.411 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 170:sc= -0.184 USER MOD Single : A 25 THR OG1 : rot 39:sc= 0.271 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+ -166:sc= 0.664 (180deg=0.0294) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 22:sc= 0.201 USER MOD Single : A 59 SER OG : rot 104:sc= 0.0753 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.226 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= -0.98! C(o=-0.98!,f=-1.3!) USER MOD Single : A 84 GLN : amide:sc=-0.00613 X(o=-0.0061,f=-0.15) USER MOD Single : A 85 SER OG : rot -63:sc= 0.279 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 33:sc= 0.255 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.945) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.785 3.520 3.083 1.00 0.00 N ATOM 106 CA ALA A 11 4.514 3.109 2.500 1.00 0.00 C ATOM 107 C ALA A 11 3.782 4.297 1.885 1.00 0.00 C ATOM 108 O ALA A 11 3.110 4.164 0.863 1.00 0.00 O ATOM 109 CB ALA A 11 3.644 2.436 3.551 1.00 0.00 C ATOM 0 HA ALA A 11 4.722 2.393 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.698 2.134 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.158 1.557 3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.452 3.134 4.366 1.00 0.00 H new ATOM 115 N GLY A 12 3.916 5.460 2.516 1.00 0.00 N ATOM 116 CA GLY A 12 3.261 6.655 2.017 1.00 0.00 C ATOM 117 C GLY A 12 2.265 7.226 3.006 1.00 0.00 C ATOM 118 O GLY A 12 1.982 6.633 4.048 1.00 0.00 O ATOM 0 H GLY A 12 4.467 5.596 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.014 7.409 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.749 6.422 1.084 1.00 0.00 H new ATOM 122 N PRO A 13 1.714 8.406 2.684 1.00 0.00 N ATOM 123 CA PRO A 13 0.736 9.083 3.540 1.00 0.00 C ATOM 124 C PRO A 13 -0.604 8.357 3.575 1.00 0.00 C ATOM 125 O PRO A 13 -0.780 7.326 2.926 1.00 0.00 O ATOM 126 CB PRO A 13 0.583 10.458 2.884 1.00 0.00 C ATOM 127 CG PRO A 13 0.948 10.239 1.456 1.00 0.00 C ATOM 128 CD PRO A 13 2.005 9.169 1.459 1.00 0.00 C ATOM 0 HA PRO A 13 1.063 9.125 4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.437 10.831 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.237 11.195 3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.080 9.929 0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.323 11.157 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.944 8.541 0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.008 9.595 1.480 1.00 0.00 H new ATOM 136 N ASP A 14 -1.547 8.902 4.336 1.00 0.00 N ATOM 137 CA ASP A 14 -2.873 8.307 4.455 1.00 0.00 C ATOM 138 C ASP A 14 -3.583 8.288 3.105 1.00 0.00 C ATOM 139 O ASP A 14 -3.383 9.174 2.273 1.00 0.00 O ATOM 140 CB ASP A 14 -3.712 9.078 5.476 1.00 0.00 C ATOM 141 CG ASP A 14 -4.267 10.370 4.911 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.484 11.145 4.323 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.485 10.608 5.058 1.00 0.00 O ATOM 0 H ASP A 14 -1.418 9.755 4.880 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.754 7.279 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.536 8.449 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.101 9.300 6.351 1.00 0.00 H new ATOM 148 N LYS A 15 -4.412 7.273 2.893 1.00 0.00 N ATOM 149 CA LYS A 15 -5.153 7.137 1.644 1.00 0.00 C ATOM 150 C LYS A 15 -6.650 7.319 1.877 1.00 0.00 C ATOM 151 O LYS A 15 -7.250 6.614 2.687 1.00 0.00 O ATOM 152 CB LYS A 15 -4.887 5.768 1.015 1.00 0.00 C ATOM 153 CG LYS A 15 -3.485 5.621 0.448 1.00 0.00 C ATOM 154 CD LYS A 15 -3.385 6.209 -0.950 1.00 0.00 C ATOM 155 CE LYS A 15 -1.940 6.479 -1.339 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.843 7.310 -2.571 1.00 0.00 N ATOM 0 H LYS A 15 -4.588 6.531 3.570 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.812 7.916 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.049 4.995 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.612 5.596 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.772 6.119 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.211 4.566 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.834 5.522 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.955 7.137 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.432 6.985 -0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.424 5.532 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.842 7.472 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.306 6.816 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.313 8.224 -2.411 1.00 0.00 H new ATOM 170 N GLU A 16 -7.245 8.267 1.159 1.00 0.00 N ATOM 171 CA GLU A 16 -8.672 8.539 1.289 1.00 0.00 C ATOM 172 C GLU A 16 -9.369 8.443 -0.065 1.00 0.00 C ATOM 173 O GLU A 16 -9.242 9.335 -0.906 1.00 0.00 O ATOM 174 CB GLU A 16 -8.896 9.927 1.893 1.00 0.00 C ATOM 175 CG GLU A 16 -10.180 10.040 2.698 1.00 0.00 C ATOM 176 CD GLU A 16 -10.483 11.465 3.116 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.850 11.949 4.078 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.353 12.098 2.481 1.00 0.00 O ATOM 0 H GLU A 16 -6.762 8.858 0.483 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.100 7.788 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.051 10.175 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.914 10.665 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.010 9.655 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.104 9.413 3.586 1.00 0.00 H new ATOM 185 N LEU A 17 -10.104 7.356 -0.270 1.00 0.00 N ATOM 186 CA LEU A 17 -10.822 7.143 -1.522 1.00 0.00 C ATOM 187 C LEU A 17 -12.315 7.397 -1.344 1.00 0.00 C ATOM 188 O LEU A 17 -12.836 7.352 -0.229 1.00 0.00 O ATOM 189 CB LEU A 17 -10.593 5.717 -2.027 1.00 0.00 C ATOM 190 CG LEU A 17 -9.137 5.251 -2.082 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.066 3.735 -2.193 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.411 5.907 -3.247 1.00 0.00 C ATOM 0 H LEU A 17 -10.219 6.608 0.414 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.437 7.850 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.149 5.032 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.018 5.634 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.644 5.551 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.023 3.421 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.549 3.284 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.575 3.412 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.377 5.564 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.904 5.638 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.431 6.990 -3.125 1.00 0.00 H new ATOM 204 N THR A 18 -13.001 7.663 -2.451 1.00 0.00 N ATOM 205 CA THR A 18 -14.435 7.923 -2.418 1.00 0.00 C ATOM 206 C THR A 18 -15.169 7.094 -3.466 1.00 0.00 C ATOM 207 O THR A 18 -14.932 7.239 -4.666 1.00 0.00 O ATOM 208 CB THR A 18 -14.740 9.415 -2.655 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.865 10.226 -1.864 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.187 9.732 -2.306 1.00 0.00 C ATOM 0 H THR A 18 -12.586 7.704 -3.382 1.00 0.00 H new ATOM 0 HA THR A 18 -14.785 7.640 -1.425 1.00 0.00 H new ATOM 0 HB THR A 18 -14.580 9.633 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.064 11.172 -2.022 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.380 10.790 -2.481 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.851 9.134 -2.930 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.368 9.499 -1.257 1.00 0.00 H new ATOM 218 N LEU A 19 -16.061 6.224 -3.005 1.00 0.00 N ATOM 219 CA LEU A 19 -16.831 5.371 -3.904 1.00 0.00 C ATOM 220 C LEU A 19 -17.361 6.168 -5.091 1.00 0.00 C ATOM 221 O LEU A 19 -17.490 7.391 -5.041 1.00 0.00 O ATOM 222 CB LEU A 19 -17.994 4.722 -3.150 1.00 0.00 C ATOM 223 CG LEU A 19 -17.666 3.441 -2.383 1.00 0.00 C ATOM 224 CD1 LEU A 19 -18.813 3.062 -1.460 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.358 2.305 -3.348 1.00 0.00 C ATOM 0 H LEU A 19 -16.269 6.091 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.169 4.591 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.396 5.451 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.786 4.500 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.781 3.623 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.561 2.148 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.986 3.867 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.716 2.899 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.127 1.401 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.224 2.124 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.502 2.575 -3.967 1.00 0.00 H new ATOM 237 N PRO A 20 -17.678 5.460 -6.185 1.00 0.00 N ATOM 238 CA PRO A 20 -17.529 4.003 -6.256 1.00 0.00 C ATOM 239 C PRO A 20 -16.067 3.571 -6.281 1.00 0.00 C ATOM 240 O PRO A 20 -15.761 2.378 -6.269 1.00 0.00 O ATOM 241 CB PRO A 20 -18.216 3.640 -7.575 1.00 0.00 C ATOM 242 CG PRO A 20 -18.126 4.876 -8.402 1.00 0.00 C ATOM 243 CD PRO A 20 -18.207 6.026 -7.437 1.00 0.00 C ATOM 0 HA PRO A 20 -17.958 3.506 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.719 2.801 -8.062 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.253 3.346 -7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.192 4.903 -8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.937 4.919 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.615 6.876 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.231 6.378 -7.317 1.00 0.00 H new ATOM 251 N VAL A 21 -15.166 4.548 -6.315 1.00 0.00 N ATOM 252 CA VAL A 21 -13.735 4.268 -6.340 1.00 0.00 C ATOM 253 C VAL A 21 -13.349 3.284 -5.242 1.00 0.00 C ATOM 254 O VAL A 21 -13.074 3.679 -4.109 1.00 0.00 O ATOM 255 CB VAL A 21 -12.909 5.557 -6.174 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.421 5.241 -6.172 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.249 6.554 -7.271 1.00 0.00 C ATOM 0 H VAL A 21 -15.402 5.540 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.515 3.827 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.162 6.008 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.853 6.164 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.193 4.567 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.149 4.766 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.656 7.459 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.027 6.115 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.309 6.804 -7.220 1.00 0.00 H new ATOM 267 N ASP A 22 -13.328 2.001 -5.585 1.00 0.00 N ATOM 268 CA ASP A 22 -12.974 0.959 -4.629 1.00 0.00 C ATOM 269 C ASP A 22 -11.662 0.286 -5.020 1.00 0.00 C ATOM 270 O ASP A 22 -11.533 -0.936 -4.947 1.00 0.00 O ATOM 271 CB ASP A 22 -14.089 -0.083 -4.540 1.00 0.00 C ATOM 272 CG ASP A 22 -14.388 -0.726 -5.881 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.472 -0.789 -6.726 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.539 -1.167 -6.083 1.00 0.00 O ATOM 0 H ASP A 22 -13.552 1.657 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.846 1.426 -3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.805 -0.855 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.994 0.389 -4.157 1.00 0.00 H new ATOM 279 N SER A 23 -10.690 1.092 -5.437 1.00 0.00 N ATOM 280 CA SER A 23 -9.390 0.574 -5.845 1.00 0.00 C ATOM 281 C SER A 23 -8.347 1.687 -5.874 1.00 0.00 C ATOM 282 O SER A 23 -8.609 2.789 -6.358 1.00 0.00 O ATOM 283 CB SER A 23 -9.488 -0.084 -7.223 1.00 0.00 C ATOM 284 OG SER A 23 -9.896 0.851 -8.206 1.00 0.00 O ATOM 0 H SER A 23 -10.779 2.106 -5.501 1.00 0.00 H new ATOM 0 HA SER A 23 -9.079 -0.173 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.521 -0.507 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.198 -0.910 -7.185 1.00 0.00 H new ATOM 0 HG SER A 23 -9.949 0.407 -9.078 1.00 0.00 H new ATOM 290 N THR A 24 -7.160 1.392 -5.351 1.00 0.00 N ATOM 291 CA THR A 24 -6.077 2.366 -5.315 1.00 0.00 C ATOM 292 C THR A 24 -4.731 1.702 -5.582 1.00 0.00 C ATOM 293 O THR A 24 -4.636 0.476 -5.661 1.00 0.00 O ATOM 294 CB THR A 24 -6.019 3.092 -3.958 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.114 4.199 -4.033 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.576 2.142 -2.855 1.00 0.00 C ATOM 0 H THR A 24 -6.925 0.486 -4.947 1.00 0.00 H new ATOM 0 HA THR A 24 -6.281 3.095 -6.100 1.00 0.00 H new ATOM 0 HB THR A 24 -7.019 3.456 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.202 4.749 -3.226 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.542 2.677 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.283 1.316 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.585 1.752 -3.087 1.00 0.00 H new ATOM 304 N THR A 25 -3.690 2.518 -5.719 1.00 0.00 N ATOM 305 CA THR A 25 -2.349 2.009 -5.977 1.00 0.00 C ATOM 306 C THR A 25 -1.372 2.465 -4.900 1.00 0.00 C ATOM 307 O THR A 25 -1.110 3.659 -4.750 1.00 0.00 O ATOM 308 CB THR A 25 -1.830 2.466 -7.353 1.00 0.00 C ATOM 309 OG1 THR A 25 -1.990 3.883 -7.491 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.571 1.756 -8.475 1.00 0.00 C ATOM 0 H THR A 25 -3.750 3.534 -5.655 1.00 0.00 H new ATOM 0 HA THR A 25 -2.416 0.921 -5.966 1.00 0.00 H new ATOM 0 HB THR A 25 -0.772 2.211 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.793 4.319 -6.636 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.187 2.096 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.423 0.680 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.635 1.983 -8.409 1.00 0.00 H new ATOM 318 N LEU A 26 -0.833 1.508 -4.152 1.00 0.00 N ATOM 319 CA LEU A 26 0.117 1.811 -3.088 1.00 0.00 C ATOM 320 C LEU A 26 1.547 1.813 -3.620 1.00 0.00 C ATOM 321 O LEU A 26 2.236 0.793 -3.579 1.00 0.00 O ATOM 322 CB LEU A 26 -0.016 0.795 -1.953 1.00 0.00 C ATOM 323 CG LEU A 26 -1.408 0.658 -1.335 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.594 -0.729 -0.740 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.629 1.728 -0.276 1.00 0.00 C ATOM 0 H LEU A 26 -1.038 0.515 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.110 2.806 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.291 -0.181 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.685 1.068 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.149 0.796 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.590 -0.808 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.480 -1.479 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.846 -0.896 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.625 1.615 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.881 1.622 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.540 2.714 -0.731 1.00 0.00 H new ATOM 337 N ASP A 27 1.987 2.964 -4.115 1.00 0.00 N ATOM 338 CA ASP A 27 3.337 3.099 -4.652 1.00 0.00 C ATOM 339 C ASP A 27 4.345 3.335 -3.532 1.00 0.00 C ATOM 340 O ASP A 27 4.160 4.214 -2.691 1.00 0.00 O ATOM 341 CB ASP A 27 3.395 4.249 -5.659 1.00 0.00 C ATOM 342 CG ASP A 27 4.790 4.826 -5.798 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.727 4.051 -6.083 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.945 6.052 -5.623 1.00 0.00 O ATOM 0 H ASP A 27 1.429 3.817 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 27 3.596 2.169 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.053 3.894 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.709 5.036 -5.347 1.00 0.00 H new ATOM 349 N GLY A 28 5.413 2.543 -3.528 1.00 0.00 N ATOM 350 CA GLY A 28 6.435 2.681 -2.506 1.00 0.00 C ATOM 351 C GLY A 28 7.807 2.953 -3.091 1.00 0.00 C ATOM 352 O GLY A 28 8.793 3.049 -2.360 1.00 0.00 O ATOM 0 H GLY A 28 5.589 1.809 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.163 3.493 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.472 1.770 -1.908 1.00 0.00 H new ATOM 493 N ILE A 38 15.975 -4.150 -3.227 1.00 0.00 N ATOM 494 CA ILE A 38 15.771 -5.199 -4.218 1.00 0.00 C ATOM 495 C ILE A 38 14.700 -6.184 -3.763 1.00 0.00 C ATOM 496 O ILE A 38 14.770 -7.376 -4.064 1.00 0.00 O ATOM 497 CB ILE A 38 17.074 -5.968 -4.501 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.626 -6.573 -3.208 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.103 -5.050 -5.143 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.531 -5.636 -2.440 1.00 0.00 C ATOM 0 HA ILE A 38 15.443 -4.708 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 38 16.856 -6.779 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.793 -6.865 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 38 18.178 -7.482 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.019 -5.609 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.709 -4.662 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.320 -4.220 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.885 -6.131 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.384 -5.363 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 38 17.978 -4.737 -2.168 1.00 0.00 H new ATOM 512 N SER A 39 13.708 -5.678 -3.037 1.00 0.00 N ATOM 513 CA SER A 39 12.622 -6.515 -2.539 1.00 0.00 C ATOM 514 C SER A 39 11.418 -5.664 -2.145 1.00 0.00 C ATOM 515 O SER A 39 11.566 -4.595 -1.552 1.00 0.00 O ATOM 516 CB SER A 39 13.094 -7.337 -1.338 1.00 0.00 C ATOM 517 OG SER A 39 12.077 -8.218 -0.892 1.00 0.00 O ATOM 0 H SER A 39 13.634 -4.694 -2.781 1.00 0.00 H new ATOM 0 HA SER A 39 12.321 -7.192 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.981 -7.909 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.382 -6.669 -0.527 1.00 0.00 H new ATOM 0 HG SER A 39 12.404 -8.733 -0.125 1.00 0.00 H new ATOM 523 N TYR A 40 10.227 -6.146 -2.480 1.00 0.00 N ATOM 524 CA TYR A 40 8.997 -5.430 -2.165 1.00 0.00 C ATOM 525 C TYR A 40 7.859 -6.404 -1.872 1.00 0.00 C ATOM 526 O TYR A 40 7.536 -7.265 -2.692 1.00 0.00 O ATOM 527 CB TYR A 40 8.608 -4.508 -3.321 1.00 0.00 C ATOM 528 CG TYR A 40 9.694 -3.528 -3.705 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.834 -2.319 -3.034 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.578 -3.810 -4.738 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.824 -1.420 -3.381 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.572 -2.918 -5.091 1.00 0.00 C ATOM 533 CZ TYR A 40 11.691 -1.724 -4.410 1.00 0.00 C ATOM 534 OH TYR A 40 12.678 -0.832 -4.760 1.00 0.00 O ATOM 0 H TYR A 40 10.087 -7.030 -2.970 1.00 0.00 H new ATOM 0 HA TYR A 40 9.175 -4.829 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.354 -5.115 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.710 -3.954 -3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.157 -2.078 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.487 -4.743 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.919 -0.485 -2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.252 -3.154 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 40 13.202 -1.199 -5.502 1.00 0.00 H new ATOM 544 N LEU A 41 7.255 -6.262 -0.698 1.00 0.00 N ATOM 545 CA LEU A 41 6.152 -7.128 -0.295 1.00 0.00 C ATOM 546 C LEU A 41 5.002 -6.311 0.286 1.00 0.00 C ATOM 547 O LEU A 41 5.206 -5.470 1.161 1.00 0.00 O ATOM 548 CB LEU A 41 6.632 -8.155 0.732 1.00 0.00 C ATOM 549 CG LEU A 41 5.674 -9.310 1.025 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.452 -10.149 -0.223 1.00 0.00 C ATOM 551 CD2 LEU A 41 6.208 -10.170 2.161 1.00 0.00 C ATOM 0 H LEU A 41 7.510 -5.555 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 41 5.791 -7.650 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.577 -8.573 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.839 -7.635 1.667 1.00 0.00 H new ATOM 0 HG LEU A 41 4.715 -8.893 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.768 -10.966 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.025 -9.526 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.404 -10.557 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.514 -10.987 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.180 -10.578 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.314 -9.562 3.059 1.00 0.00 H new ATOM 563 N TRP A 42 3.795 -6.566 -0.206 1.00 0.00 N ATOM 564 CA TRP A 42 2.612 -5.855 0.267 1.00 0.00 C ATOM 565 C TRP A 42 1.593 -6.825 0.854 1.00 0.00 C ATOM 566 O TRP A 42 1.158 -7.762 0.186 1.00 0.00 O ATOM 567 CB TRP A 42 1.978 -5.062 -0.877 1.00 0.00 C ATOM 568 CG TRP A 42 2.738 -3.819 -1.230 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.704 -3.693 -2.187 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.596 -2.527 -0.628 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.171 -2.401 -2.217 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.507 -1.666 -1.271 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.787 -2.014 0.389 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.630 -0.323 -0.927 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.910 -0.681 0.729 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.825 0.153 0.073 1.00 0.00 C ATOM 0 H TRP A 42 3.609 -7.259 -0.931 1.00 0.00 H new ATOM 0 HA TRP A 42 2.923 -5.164 1.051 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.910 -5.700 -1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.959 -4.790 -0.601 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.050 -4.492 -2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.895 -2.047 -2.842 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.078 -2.648 0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.335 0.321 -1.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.290 -0.274 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.897 1.191 0.362 1.00 0.00 H new ATOM 587 N GLU A 43 1.216 -6.593 2.108 1.00 0.00 N ATOM 588 CA GLU A 43 0.248 -7.448 2.785 1.00 0.00 C ATOM 589 C GLU A 43 -0.621 -6.636 3.741 1.00 0.00 C ATOM 590 O GLU A 43 -0.136 -5.733 4.424 1.00 0.00 O ATOM 591 CB GLU A 43 0.966 -8.561 3.551 1.00 0.00 C ATOM 592 CG GLU A 43 2.231 -9.052 2.869 1.00 0.00 C ATOM 593 CD GLU A 43 3.456 -8.252 3.265 1.00 0.00 C ATOM 594 OE1 GLU A 43 3.684 -7.179 2.668 1.00 0.00 O ATOM 595 OE2 GLU A 43 4.187 -8.698 4.174 1.00 0.00 O ATOM 0 H GLU A 43 1.566 -5.821 2.675 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.396 -7.895 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.218 -8.200 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.283 -9.401 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.390 -10.101 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.101 -8.998 1.788 1.00 0.00 H new ATOM 602 N LYS A 44 -1.908 -6.963 3.783 1.00 0.00 N ATOM 603 CA LYS A 44 -2.846 -6.266 4.654 1.00 0.00 C ATOM 604 C LYS A 44 -2.747 -6.783 6.086 1.00 0.00 C ATOM 605 O LYS A 44 -3.121 -7.920 6.374 1.00 0.00 O ATOM 606 CB LYS A 44 -4.277 -6.436 4.138 1.00 0.00 C ATOM 607 CG LYS A 44 -5.330 -5.844 5.058 1.00 0.00 C ATOM 608 CD LYS A 44 -6.628 -5.570 4.316 1.00 0.00 C ATOM 609 CE LYS A 44 -7.314 -6.861 3.898 1.00 0.00 C ATOM 610 NZ LYS A 44 -7.909 -7.576 5.061 1.00 0.00 N ATOM 0 H LYS A 44 -2.325 -7.707 3.224 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.588 -5.207 4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.359 -5.967 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.481 -7.498 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.520 -6.529 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.955 -4.917 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.297 -4.991 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.423 -4.963 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.095 -6.638 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.593 -7.511 3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.154 -8.548 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.222 -7.602 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.767 -7.078 5.372 1.00 0.00 H new ATOM 624 N THR A 45 -2.240 -5.940 6.981 1.00 0.00 N ATOM 625 CA THR A 45 -2.092 -6.312 8.382 1.00 0.00 C ATOM 626 C THR A 45 -3.434 -6.278 9.105 1.00 0.00 C ATOM 627 O THR A 45 -3.782 -7.211 9.829 1.00 0.00 O ATOM 628 CB THR A 45 -1.106 -5.379 9.110 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.339 -4.021 8.722 1.00 0.00 O ATOM 630 CG2 THR A 45 0.333 -5.761 8.796 1.00 0.00 C ATOM 0 H THR A 45 -1.925 -4.995 6.760 1.00 0.00 H new ATOM 0 HA THR A 45 -1.699 -7.329 8.399 1.00 0.00 H new ATOM 0 HB THR A 45 -1.267 -5.483 10.183 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.126 -3.978 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.011 -5.088 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.516 -6.786 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.504 -5.683 7.722 1.00 0.00 H new ATOM 638 N GLN A 46 -4.182 -5.198 8.904 1.00 0.00 N ATOM 639 CA GLN A 46 -5.486 -5.044 9.538 1.00 0.00 C ATOM 640 C GLN A 46 -6.550 -4.673 8.510 1.00 0.00 C ATOM 641 O GLN A 46 -6.253 -4.503 7.329 1.00 0.00 O ATOM 642 CB GLN A 46 -5.422 -3.976 10.631 1.00 0.00 C ATOM 643 CG GLN A 46 -5.068 -4.529 12.002 1.00 0.00 C ATOM 644 CD GLN A 46 -4.773 -3.439 13.013 1.00 0.00 C ATOM 645 OE1 GLN A 46 -3.903 -2.594 12.797 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.498 -3.451 14.126 1.00 0.00 N ATOM 0 H GLN A 46 -3.908 -4.417 8.308 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.758 -5.999 9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.684 -3.224 10.350 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.386 -3.470 10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.892 -5.143 12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.199 -5.181 11.913 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.209 -4.170 14.264 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.344 -2.742 14.843 1.00 0.00 H new ATOM 655 N GLY A 47 -7.792 -4.551 8.969 1.00 0.00 N ATOM 656 CA GLY A 47 -8.882 -4.202 8.077 1.00 0.00 C ATOM 657 C GLY A 47 -9.705 -5.407 7.668 1.00 0.00 C ATOM 658 O GLY A 47 -9.324 -6.554 7.903 1.00 0.00 O ATOM 0 H GLY A 47 -8.063 -4.688 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.529 -3.473 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.478 -3.722 7.185 1.00 0.00 H new ATOM 662 N PRO A 48 -10.863 -5.152 7.041 1.00 0.00 N ATOM 663 CA PRO A 48 -11.766 -6.213 6.586 1.00 0.00 C ATOM 664 C PRO A 48 -11.192 -7.001 5.414 1.00 0.00 C ATOM 665 O PRO A 48 -10.311 -6.519 4.701 1.00 0.00 O ATOM 666 CB PRO A 48 -13.021 -5.449 6.153 1.00 0.00 C ATOM 667 CG PRO A 48 -12.532 -4.087 5.802 1.00 0.00 C ATOM 668 CD PRO A 48 -11.379 -3.809 6.727 1.00 0.00 C ATOM 0 HA PRO A 48 -11.948 -6.954 7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.502 -5.929 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.758 -5.411 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.216 -4.043 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.321 -3.345 5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.621 -3.189 6.249 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.702 -3.282 7.625 1.00 0.00 H new ATOM 676 N ASP A 49 -11.696 -8.215 5.219 1.00 0.00 N ATOM 677 CA ASP A 49 -11.233 -9.070 4.132 1.00 0.00 C ATOM 678 C ASP A 49 -12.114 -8.902 2.897 1.00 0.00 C ATOM 679 O ASP A 49 -13.241 -8.419 2.987 1.00 0.00 O ATOM 680 CB ASP A 49 -11.226 -10.534 4.573 1.00 0.00 C ATOM 681 CG ASP A 49 -10.178 -10.815 5.631 1.00 0.00 C ATOM 682 OD1 ASP A 49 -10.319 -10.296 6.759 1.00 0.00 O ATOM 683 OD2 ASP A 49 -9.216 -11.553 5.332 1.00 0.00 O ATOM 0 H ASP A 49 -12.425 -8.629 5.800 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.216 -8.772 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.210 -10.798 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.044 -11.170 3.707 1.00 0.00 H new ATOM 688 N GLY A 50 -11.589 -9.304 1.743 1.00 0.00 N ATOM 689 CA GLY A 50 -12.339 -9.188 0.507 1.00 0.00 C ATOM 690 C GLY A 50 -11.530 -8.552 -0.606 1.00 0.00 C ATOM 691 O GLY A 50 -11.579 -8.999 -1.752 1.00 0.00 O ATOM 0 H GLY A 50 -10.658 -9.708 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.669 -10.178 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.236 -8.595 0.684 1.00 0.00 H new ATOM 695 N VAL A 51 -10.784 -7.505 -0.269 1.00 0.00 N ATOM 696 CA VAL A 51 -9.961 -6.806 -1.248 1.00 0.00 C ATOM 697 C VAL A 51 -9.014 -7.768 -1.957 1.00 0.00 C ATOM 698 O VAL A 51 -8.746 -8.864 -1.466 1.00 0.00 O ATOM 699 CB VAL A 51 -9.136 -5.684 -0.590 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.005 -4.867 0.355 1.00 0.00 C ATOM 701 CG2 VAL A 51 -7.937 -6.264 0.143 1.00 0.00 C ATOM 0 H VAL A 51 -10.733 -7.122 0.675 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.642 -6.367 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.768 -5.021 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.406 -4.079 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.828 -4.420 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.404 -5.516 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.366 -5.457 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.281 -6.951 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.304 -6.801 -0.563 1.00 0.00 H new ATOM 711 N GLN A 52 -8.511 -7.349 -3.114 1.00 0.00 N ATOM 712 CA GLN A 52 -7.593 -8.175 -3.891 1.00 0.00 C ATOM 713 C GLN A 52 -6.295 -7.426 -4.174 1.00 0.00 C ATOM 714 O GLN A 52 -6.280 -6.450 -4.925 1.00 0.00 O ATOM 715 CB GLN A 52 -8.247 -8.602 -5.206 1.00 0.00 C ATOM 716 CG GLN A 52 -9.383 -9.596 -5.025 1.00 0.00 C ATOM 717 CD GLN A 52 -10.125 -9.875 -6.318 1.00 0.00 C ATOM 718 OE1 GLN A 52 -10.777 -8.992 -6.876 1.00 0.00 O ATOM 719 NE2 GLN A 52 -10.030 -11.108 -6.800 1.00 0.00 N ATOM 0 H GLN A 52 -8.723 -6.444 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.358 -9.064 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.627 -7.718 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.489 -9.043 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.984 -10.530 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.084 -9.211 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.478 -11.808 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.508 -11.355 -7.666 1.00 0.00 H new ATOM 728 N LEU A 53 -5.207 -7.889 -3.569 1.00 0.00 N ATOM 729 CA LEU A 53 -3.902 -7.263 -3.756 1.00 0.00 C ATOM 730 C LEU A 53 -3.214 -7.802 -5.007 1.00 0.00 C ATOM 731 O LEU A 53 -3.051 -9.011 -5.164 1.00 0.00 O ATOM 732 CB LEU A 53 -3.019 -7.503 -2.531 1.00 0.00 C ATOM 733 CG LEU A 53 -3.084 -6.436 -1.437 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.848 -7.059 -0.070 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.070 -5.334 -1.706 1.00 0.00 C ATOM 0 H LEU A 53 -5.202 -8.696 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.055 -6.191 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.294 -8.462 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.985 -7.590 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.080 -5.994 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.898 -6.285 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.613 -7.811 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.864 -7.528 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.130 -4.584 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.067 -5.760 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.285 -4.868 -2.668 1.00 0.00 H new ATOM 747 N GLU A 54 -2.812 -6.895 -5.891 1.00 0.00 N ATOM 748 CA GLU A 54 -2.140 -7.280 -7.127 1.00 0.00 C ATOM 749 C GLU A 54 -0.708 -6.754 -7.154 1.00 0.00 C ATOM 750 O GLU A 54 -0.424 -5.671 -6.646 1.00 0.00 O ATOM 751 CB GLU A 54 -2.911 -6.753 -8.339 1.00 0.00 C ATOM 752 CG GLU A 54 -4.079 -7.636 -8.748 1.00 0.00 C ATOM 753 CD GLU A 54 -5.165 -6.867 -9.473 1.00 0.00 C ATOM 754 OE1 GLU A 54 -5.796 -5.993 -8.842 1.00 0.00 O ATOM 755 OE2 GLU A 54 -5.386 -7.138 -10.672 1.00 0.00 O ATOM 0 H GLU A 54 -2.940 -5.890 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.110 -8.369 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.283 -5.753 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.226 -6.658 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.716 -8.438 -9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.503 -8.106 -7.860 1.00 0.00 H new ATOM 762 N ASN A 55 0.190 -7.531 -7.751 1.00 0.00 N ATOM 763 CA ASN A 55 1.594 -7.145 -7.844 1.00 0.00 C ATOM 764 C ASN A 55 2.198 -6.951 -6.457 1.00 0.00 C ATOM 765 O ASN A 55 3.114 -6.150 -6.274 1.00 0.00 O ATOM 766 CB ASN A 55 1.737 -5.858 -8.659 1.00 0.00 C ATOM 767 CG ASN A 55 1.863 -6.126 -10.147 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.950 -6.417 -10.646 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.748 -6.029 -10.862 1.00 0.00 N ATOM 0 H ASN A 55 -0.029 -8.431 -8.177 1.00 0.00 H new ATOM 0 HA ASN A 55 2.133 -7.948 -8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.872 -5.220 -8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.614 -5.310 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.771 -6.199 -11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.131 -5.785 -10.406 1.00 0.00 H new ATOM 776 N ALA A 56 1.679 -7.691 -5.483 1.00 0.00 N ATOM 777 CA ALA A 56 2.168 -7.603 -4.113 1.00 0.00 C ATOM 778 C ALA A 56 3.678 -7.808 -4.055 1.00 0.00 C ATOM 779 O ALA A 56 4.347 -7.313 -3.149 1.00 0.00 O ATOM 780 CB ALA A 56 1.461 -8.624 -3.233 1.00 0.00 C ATOM 0 H ALA A 56 0.920 -8.358 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 56 1.948 -6.603 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.836 -8.547 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.388 -8.430 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.651 -9.627 -3.615 1.00 0.00 H new ATOM 786 N ASN A 57 4.209 -8.541 -5.028 1.00 0.00 N ATOM 787 CA ASN A 57 5.641 -8.812 -5.087 1.00 0.00 C ATOM 788 C ASN A 57 6.375 -7.700 -5.829 1.00 0.00 C ATOM 789 O ASN A 57 7.360 -7.949 -6.524 1.00 0.00 O ATOM 790 CB ASN A 57 5.899 -10.155 -5.773 1.00 0.00 C ATOM 791 CG ASN A 57 5.579 -11.335 -4.875 1.00 0.00 C ATOM 792 OD1 ASN A 57 6.438 -11.817 -4.136 1.00 0.00 O ATOM 793 ND2 ASN A 57 4.339 -11.804 -4.934 1.00 0.00 N ATOM 0 H ASN A 57 3.669 -8.958 -5.786 1.00 0.00 H new ATOM 0 HA ASN A 57 6.020 -8.854 -4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.297 -10.218 -6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.944 -10.208 -6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.065 -12.595 -4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.660 -11.373 -5.561 1.00 0.00 H new ATOM 800 N SER A 58 5.889 -6.473 -5.676 1.00 0.00 N ATOM 801 CA SER A 58 6.496 -5.322 -6.334 1.00 0.00 C ATOM 802 C SER A 58 6.323 -4.061 -5.493 1.00 0.00 C ATOM 803 O SER A 58 5.368 -3.940 -4.724 1.00 0.00 O ATOM 804 CB SER A 58 5.879 -5.114 -7.718 1.00 0.00 C ATOM 805 OG SER A 58 6.494 -5.952 -8.682 1.00 0.00 O ATOM 0 H SER A 58 5.076 -6.250 -5.102 1.00 0.00 H new ATOM 0 HA SER A 58 7.562 -5.520 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.810 -5.324 -7.678 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.988 -4.071 -8.015 1.00 0.00 H new ATOM 0 HG SER A 58 6.914 -6.714 -8.232 1.00 0.00 H new ATOM 811 N SER A 59 7.252 -3.123 -5.645 1.00 0.00 N ATOM 812 CA SER A 59 7.205 -1.872 -4.897 1.00 0.00 C ATOM 813 C SER A 59 5.847 -1.195 -5.056 1.00 0.00 C ATOM 814 O SER A 59 5.444 -0.384 -4.222 1.00 0.00 O ATOM 815 CB SER A 59 8.315 -0.930 -5.367 1.00 0.00 C ATOM 816 OG SER A 59 8.268 0.302 -4.670 1.00 0.00 O ATOM 0 H SER A 59 8.046 -3.205 -6.279 1.00 0.00 H new ATOM 0 HA SER A 59 7.356 -2.102 -3.842 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.286 -1.402 -5.213 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.214 -0.750 -6.437 1.00 0.00 H new ATOM 0 HG SER A 59 8.984 0.327 -4.002 1.00 0.00 H new ATOM 822 N VAL A 60 5.146 -1.534 -6.133 1.00 0.00 N ATOM 823 CA VAL A 60 3.833 -0.961 -6.402 1.00 0.00 C ATOM 824 C VAL A 60 2.758 -2.041 -6.433 1.00 0.00 C ATOM 825 O VAL A 60 2.813 -2.962 -7.247 1.00 0.00 O ATOM 826 CB VAL A 60 3.817 -0.197 -7.740 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.486 0.512 -7.934 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.972 0.791 -7.803 1.00 0.00 C ATOM 0 H VAL A 60 5.466 -2.203 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 60 3.620 -0.264 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 60 3.940 -0.915 -8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.493 1.046 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.680 -0.222 -7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.329 1.221 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.945 1.322 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.884 1.507 -6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.916 0.253 -7.714 1.00 0.00 H new ATOM 838 N ALA A 61 1.780 -1.920 -5.541 1.00 0.00 N ATOM 839 CA ALA A 61 0.690 -2.885 -5.468 1.00 0.00 C ATOM 840 C ALA A 61 -0.645 -2.232 -5.812 1.00 0.00 C ATOM 841 O ALA A 61 -0.774 -1.008 -5.789 1.00 0.00 O ATOM 842 CB ALA A 61 0.631 -3.511 -4.083 1.00 0.00 C ATOM 0 H ALA A 61 1.720 -1.164 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 61 0.882 -3.668 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.188 -4.230 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.572 -4.021 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.467 -2.732 -3.338 1.00 0.00 H new ATOM 848 N THR A 62 -1.637 -3.057 -6.134 1.00 0.00 N ATOM 849 CA THR A 62 -2.961 -2.561 -6.485 1.00 0.00 C ATOM 850 C THR A 62 -4.052 -3.353 -5.774 1.00 0.00 C ATOM 851 O THR A 62 -4.275 -4.527 -6.071 1.00 0.00 O ATOM 852 CB THR A 62 -3.201 -2.628 -8.005 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.155 -1.938 -8.697 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.546 -2.017 -8.368 1.00 0.00 C ATOM 0 H THR A 62 -1.547 -4.073 -6.159 1.00 0.00 H new ATOM 0 HA THR A 62 -3.004 -1.520 -6.163 1.00 0.00 H new ATOM 0 HB THR A 62 -3.204 -3.676 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.314 -1.987 -9.663 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.693 -2.076 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.342 -2.564 -7.863 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.568 -0.973 -8.055 1.00 0.00 H new ATOM 862 N VAL A 63 -4.731 -2.704 -4.833 1.00 0.00 N ATOM 863 CA VAL A 63 -5.801 -3.348 -4.081 1.00 0.00 C ATOM 864 C VAL A 63 -7.169 -2.953 -4.624 1.00 0.00 C ATOM 865 O VAL A 63 -7.482 -1.769 -4.749 1.00 0.00 O ATOM 866 CB VAL A 63 -5.730 -2.987 -2.585 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.894 -3.611 -1.830 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.401 -3.430 -1.992 1.00 0.00 C ATOM 0 H VAL A 63 -4.559 -1.733 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.666 -4.424 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.802 -1.904 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.828 -3.345 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.834 -3.240 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.856 -4.695 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.369 -3.167 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.296 -4.509 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.585 -2.932 -2.515 1.00 0.00 H new ATOM 878 N THR A 64 -7.984 -3.954 -4.945 1.00 0.00 N ATOM 879 CA THR A 64 -9.319 -3.712 -5.475 1.00 0.00 C ATOM 880 C THR A 64 -10.390 -4.261 -4.540 1.00 0.00 C ATOM 881 O THR A 64 -10.082 -4.899 -3.534 1.00 0.00 O ATOM 882 CB THR A 64 -9.495 -4.347 -6.868 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.373 -5.771 -6.775 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.460 -3.807 -7.843 1.00 0.00 C ATOM 0 H THR A 64 -7.742 -4.940 -4.847 1.00 0.00 H new ATOM 0 HA THR A 64 -9.434 -2.631 -5.560 1.00 0.00 H new ATOM 0 HB THR A 64 -10.488 -4.091 -7.238 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.488 -6.168 -7.664 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.604 -4.270 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.574 -2.727 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.460 -4.037 -7.476 1.00 0.00 H new ATOM 892 N GLY A 65 -11.651 -4.011 -4.879 1.00 0.00 N ATOM 893 CA GLY A 65 -12.749 -4.489 -4.059 1.00 0.00 C ATOM 894 C GLY A 65 -12.757 -3.862 -2.679 1.00 0.00 C ATOM 895 O GLY A 65 -13.005 -4.541 -1.682 1.00 0.00 O ATOM 0 H GLY A 65 -11.932 -3.486 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.693 -4.272 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.681 -5.573 -3.962 1.00 0.00 H new ATOM 899 N LEU A 66 -12.485 -2.563 -2.620 1.00 0.00 N ATOM 900 CA LEU A 66 -12.460 -1.844 -1.351 1.00 0.00 C ATOM 901 C LEU A 66 -13.862 -1.393 -0.953 1.00 0.00 C ATOM 902 O LEU A 66 -14.763 -1.330 -1.788 1.00 0.00 O ATOM 903 CB LEU A 66 -11.530 -0.633 -1.446 1.00 0.00 C ATOM 904 CG LEU A 66 -10.031 -0.937 -1.451 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.250 0.239 -2.018 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.550 -1.272 -0.047 1.00 0.00 C ATOM 0 H LEU A 66 -12.279 -1.986 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.085 -2.523 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.772 -0.084 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.743 0.030 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.857 -1.804 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.185 0.005 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.575 0.433 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.429 1.123 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.481 -1.486 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.737 -0.425 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.087 -2.146 0.323 1.00 0.00 H new ATOM 918 N GLN A 67 -14.036 -1.078 0.326 1.00 0.00 N ATOM 919 CA GLN A 67 -15.327 -0.631 0.834 1.00 0.00 C ATOM 920 C GLN A 67 -15.149 0.333 2.002 1.00 0.00 C ATOM 921 O GLN A 67 -14.049 0.485 2.533 1.00 0.00 O ATOM 922 CB GLN A 67 -16.171 -1.830 1.270 1.00 0.00 C ATOM 923 CG GLN A 67 -16.442 -2.822 0.151 1.00 0.00 C ATOM 924 CD GLN A 67 -17.671 -3.672 0.410 1.00 0.00 C ATOM 925 OE1 GLN A 67 -18.785 -3.158 0.509 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.473 -4.980 0.521 1.00 0.00 N ATOM 0 H GLN A 67 -13.299 -1.124 1.030 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.843 -0.106 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.662 -2.345 2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.122 -1.471 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.570 -2.281 -0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.575 -3.471 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.532 -5.363 0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.262 -5.602 0.695 1.00 0.00 H new ATOM 935 N VAL A 68 -16.239 0.983 2.398 1.00 0.00 N ATOM 936 CA VAL A 68 -16.204 1.932 3.505 1.00 0.00 C ATOM 937 C VAL A 68 -15.605 1.297 4.754 1.00 0.00 C ATOM 938 O VAL A 68 -16.302 0.635 5.522 1.00 0.00 O ATOM 939 CB VAL A 68 -17.612 2.461 3.836 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.557 3.432 5.005 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.234 3.120 2.614 1.00 0.00 C ATOM 0 H VAL A 68 -17.157 0.870 1.969 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.577 2.765 3.188 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.239 1.618 4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.561 3.795 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.156 2.924 5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.915 4.274 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.229 3.488 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.609 3.953 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.310 2.391 1.807 1.00 0.00 H new ATOM 951 N GLY A 69 -14.306 1.503 4.953 1.00 0.00 N ATOM 952 CA GLY A 69 -13.635 0.945 6.111 1.00 0.00 C ATOM 953 C GLY A 69 -12.171 1.335 6.177 1.00 0.00 C ATOM 954 O GLY A 69 -11.678 2.073 5.324 1.00 0.00 O ATOM 0 H GLY A 69 -13.707 2.047 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.139 1.283 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.718 -0.142 6.086 1.00 0.00 H new ATOM 958 N THR A 70 -11.474 0.840 7.195 1.00 0.00 N ATOM 959 CA THR A 70 -10.059 1.143 7.371 1.00 0.00 C ATOM 960 C THR A 70 -9.190 -0.055 7.007 1.00 0.00 C ATOM 961 O THR A 70 -9.399 -1.161 7.507 1.00 0.00 O ATOM 962 CB THR A 70 -9.751 1.564 8.820 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.886 2.226 9.390 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.543 2.487 8.871 1.00 0.00 C ATOM 0 H THR A 70 -11.866 0.228 7.910 1.00 0.00 H new ATOM 0 HA THR A 70 -9.828 1.972 6.702 1.00 0.00 H new ATOM 0 HB THR A 70 -9.527 0.666 9.395 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.682 2.489 10.312 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.345 2.771 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.674 1.971 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.743 3.382 8.281 1.00 0.00 H new ATOM 972 N TYR A 71 -8.215 0.171 6.134 1.00 0.00 N ATOM 973 CA TYR A 71 -7.315 -0.891 5.701 1.00 0.00 C ATOM 974 C TYR A 71 -5.863 -0.531 6.000 1.00 0.00 C ATOM 975 O TYR A 71 -5.367 0.509 5.566 1.00 0.00 O ATOM 976 CB TYR A 71 -7.488 -1.157 4.205 1.00 0.00 C ATOM 977 CG TYR A 71 -8.875 -1.627 3.830 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.930 -0.728 3.726 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.132 -2.970 3.580 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.199 -1.153 3.384 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.398 -3.403 3.237 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.428 -2.491 3.140 1.00 0.00 C ATOM 983 OH TYR A 71 -12.691 -2.919 2.799 1.00 0.00 O ATOM 0 H TYR A 71 -8.028 1.081 5.712 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.568 -1.795 6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.261 -0.244 3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.762 -1.907 3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.755 0.321 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.328 -3.687 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.008 -0.441 3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.580 -4.450 3.046 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.681 -3.889 2.660 1.00 0.00 H new ATOM 993 N VAL A 72 -5.186 -1.399 6.746 1.00 0.00 N ATOM 994 CA VAL A 72 -3.790 -1.175 7.103 1.00 0.00 C ATOM 995 C VAL A 72 -2.869 -2.117 6.336 1.00 0.00 C ATOM 996 O VAL A 72 -2.739 -3.292 6.681 1.00 0.00 O ATOM 997 CB VAL A 72 -3.560 -1.366 8.614 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.154 -0.933 8.998 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.601 -0.595 9.412 1.00 0.00 C ATOM 0 H VAL A 72 -5.582 -2.264 7.115 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.556 -0.145 6.835 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.665 -2.425 8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.009 -1.075 10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.426 -1.533 8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.017 0.119 8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.424 -0.741 10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.529 0.466 9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.597 -0.957 9.157 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.230 -1.594 5.295 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.320 -2.389 4.478 1.00 0.00 C ATOM 1011 C PHE A 73 0.133 -2.089 4.835 1.00 0.00 C ATOM 1012 O PHE A 73 0.578 -0.943 4.763 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.561 -2.112 2.993 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.981 -2.344 2.562 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.412 -3.611 2.204 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.884 -1.294 2.515 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.719 -3.827 1.807 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.192 -1.505 2.120 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.609 -2.773 1.764 1.00 0.00 C ATOM 0 H PHE A 73 -2.325 -0.623 4.997 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.515 -3.442 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.288 -1.079 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.902 -2.747 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.720 -4.439 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.563 -0.300 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.043 -4.820 1.531 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.887 -0.679 2.090 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.630 -2.939 1.453 1.00 0.00 H new ATOM 1029 N THR A 74 0.868 -3.128 5.220 1.00 0.00 N ATOM 1030 CA THR A 74 2.270 -2.977 5.589 1.00 0.00 C ATOM 1031 C THR A 74 3.187 -3.365 4.435 1.00 0.00 C ATOM 1032 O THR A 74 2.895 -4.295 3.682 1.00 0.00 O ATOM 1033 CB THR A 74 2.622 -3.833 6.820 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.912 -3.355 7.968 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.118 -3.800 7.093 1.00 0.00 C ATOM 0 H THR A 74 0.515 -4.083 5.284 1.00 0.00 H new ATOM 0 HA THR A 74 2.422 -1.925 5.832 1.00 0.00 H new ATOM 0 HB THR A 74 2.329 -4.863 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.438 -3.533 8.775 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.342 -4.412 7.967 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.654 -4.192 6.229 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.431 -2.773 7.279 1.00 0.00 H new ATOM 1043 N LEU A 75 4.298 -2.649 4.302 1.00 0.00 N ATOM 1044 CA LEU A 75 5.260 -2.920 3.239 1.00 0.00 C ATOM 1045 C LEU A 75 6.629 -3.265 3.818 1.00 0.00 C ATOM 1046 O LEU A 75 7.354 -2.389 4.290 1.00 0.00 O ATOM 1047 CB LEU A 75 5.377 -1.710 2.310 1.00 0.00 C ATOM 1048 CG LEU A 75 6.624 -1.661 1.426 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.458 -2.568 0.217 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.910 -0.232 0.988 1.00 0.00 C ATOM 0 H LEU A 75 4.555 -1.877 4.917 1.00 0.00 H new ATOM 0 HA LEU A 75 4.901 -3.776 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.498 -1.685 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.352 -0.806 2.919 1.00 0.00 H new ATOM 0 HG LEU A 75 7.473 -2.019 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.355 -2.520 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.302 -3.594 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.598 -2.241 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.801 -0.215 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.060 0.152 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.074 0.392 1.867 1.00 0.00 H new ATOM 1062 N THR A 76 6.977 -4.547 3.777 1.00 0.00 N ATOM 1063 CA THR A 76 8.258 -5.008 4.296 1.00 0.00 C ATOM 1064 C THR A 76 9.284 -5.155 3.178 1.00 0.00 C ATOM 1065 O THR A 76 9.210 -6.082 2.372 1.00 0.00 O ATOM 1066 CB THR A 76 8.116 -6.356 5.027 1.00 0.00 C ATOM 1067 OG1 THR A 76 7.006 -6.309 5.931 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.386 -6.693 5.793 1.00 0.00 C ATOM 0 H THR A 76 6.389 -5.285 3.389 1.00 0.00 H new ATOM 0 HA THR A 76 8.602 -4.254 5.004 1.00 0.00 H new ATOM 0 HB THR A 76 7.944 -7.132 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.922 -7.170 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.262 -7.649 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.224 -6.757 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.584 -5.914 6.529 1.00 0.00 H new ATOM 1076 N VAL A 77 10.242 -4.234 3.135 1.00 0.00 N ATOM 1077 CA VAL A 77 11.284 -4.262 2.116 1.00 0.00 C ATOM 1078 C VAL A 77 12.634 -4.629 2.721 1.00 0.00 C ATOM 1079 O VAL A 77 12.949 -4.242 3.847 1.00 0.00 O ATOM 1080 CB VAL A 77 11.407 -2.904 1.401 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.099 -2.542 0.713 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.820 -1.819 2.385 1.00 0.00 C ATOM 0 H VAL A 77 10.318 -3.459 3.794 1.00 0.00 H new ATOM 0 HA VAL A 77 10.996 -5.022 1.390 1.00 0.00 H new ATOM 0 HB VAL A 77 12.181 -2.984 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.205 -1.579 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.851 -3.307 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.303 -2.480 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.902 -0.866 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.071 -1.738 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.783 -2.075 2.826 1.00 0.00 H new ATOM 1092 N LYS A 78 13.430 -5.379 1.966 1.00 0.00 N ATOM 1093 CA LYS A 78 14.749 -5.799 2.426 1.00 0.00 C ATOM 1094 C LYS A 78 15.831 -5.367 1.442 1.00 0.00 C ATOM 1095 O LYS A 78 15.799 -5.737 0.268 1.00 0.00 O ATOM 1096 CB LYS A 78 14.788 -7.317 2.610 1.00 0.00 C ATOM 1097 CG LYS A 78 14.393 -7.772 4.004 1.00 0.00 C ATOM 1098 CD LYS A 78 14.476 -9.282 4.143 1.00 0.00 C ATOM 1099 CE LYS A 78 13.192 -9.956 3.683 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.422 -11.372 3.284 1.00 0.00 N ATOM 0 H LYS A 78 13.185 -5.709 1.032 1.00 0.00 H new ATOM 0 HA LYS A 78 14.942 -5.318 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.120 -7.780 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.794 -7.675 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.046 -7.302 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.377 -7.441 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.315 -9.657 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.672 -9.542 5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.455 -9.920 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.774 -9.405 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.524 -11.796 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.106 -11.405 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.797 -11.905 4.095 1.00 0.00 H new ATOM 1114 N ASP A 79 16.788 -4.584 1.927 1.00 0.00 N ATOM 1115 CA ASP A 79 17.881 -4.104 1.090 1.00 0.00 C ATOM 1116 C ASP A 79 18.920 -5.200 0.873 1.00 0.00 C ATOM 1117 O ASP A 79 18.733 -6.339 1.299 1.00 0.00 O ATOM 1118 CB ASP A 79 18.540 -2.879 1.727 1.00 0.00 C ATOM 1119 CG ASP A 79 19.219 -1.990 0.705 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.782 -1.990 -0.465 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.190 -1.295 1.074 1.00 0.00 O ATOM 0 H ASP A 79 16.829 -4.268 2.896 1.00 0.00 H new ATOM 0 HA ASP A 79 17.468 -3.822 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.786 -2.302 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.274 -3.207 2.464 1.00 0.00 H new ATOM 1126 N GLU A 80 20.015 -4.847 0.206 1.00 0.00 N ATOM 1127 CA GLU A 80 21.082 -5.802 -0.070 1.00 0.00 C ATOM 1128 C GLU A 80 21.723 -6.289 1.226 1.00 0.00 C ATOM 1129 O GLU A 80 22.215 -7.415 1.302 1.00 0.00 O ATOM 1130 CB GLU A 80 22.144 -5.168 -0.971 1.00 0.00 C ATOM 1131 CG GLU A 80 22.645 -3.824 -0.468 1.00 0.00 C ATOM 1132 CD GLU A 80 23.916 -3.378 -1.164 1.00 0.00 C ATOM 1133 OE1 GLU A 80 24.019 -3.575 -2.393 1.00 0.00 O ATOM 1134 OE2 GLU A 80 24.807 -2.833 -0.481 1.00 0.00 O ATOM 0 H GLU A 80 20.186 -3.908 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 80 20.645 -6.658 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.989 -5.851 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.731 -5.041 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.870 -3.072 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.825 -3.886 0.605 1.00 0.00 H new ATOM 1141 N ARG A 81 21.715 -5.433 2.242 1.00 0.00 N ATOM 1142 CA ARG A 81 22.298 -5.775 3.534 1.00 0.00 C ATOM 1143 C ARG A 81 21.333 -6.623 4.358 1.00 0.00 C ATOM 1144 O ARG A 81 21.577 -6.893 5.533 1.00 0.00 O ATOM 1145 CB ARG A 81 22.663 -4.505 4.305 1.00 0.00 C ATOM 1146 CG ARG A 81 24.057 -3.984 3.995 1.00 0.00 C ATOM 1147 CD ARG A 81 24.617 -3.169 5.150 1.00 0.00 C ATOM 1148 NE ARG A 81 25.746 -2.340 4.739 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.496 -1.646 5.587 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.238 -1.681 6.887 1.00 0.00 N ATOM 1151 NH2 ARG A 81 27.507 -0.915 5.136 1.00 0.00 N ATOM 0 H ARG A 81 21.311 -4.497 2.196 1.00 0.00 H new ATOM 0 HA ARG A 81 23.203 -6.355 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.934 -3.728 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.588 -4.705 5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.721 -4.822 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.025 -3.369 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.831 -2.534 5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.932 -3.841 5.948 1.00 0.00 H new ATOM 0 HE ARG A 81 25.971 -2.291 3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.462 -2.242 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.816 -1.147 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 81 27.709 -0.886 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 81 28.082 -0.382 5.789 1.00 0.00 H new ATOM 1165 N ASN A 82 20.237 -7.040 3.732 1.00 0.00 N ATOM 1166 CA ASN A 82 19.235 -7.856 4.407 1.00 0.00 C ATOM 1167 C ASN A 82 18.579 -7.081 5.546 1.00 0.00 C ATOM 1168 O ASN A 82 18.235 -7.651 6.583 1.00 0.00 O ATOM 1169 CB ASN A 82 19.872 -9.138 4.948 1.00 0.00 C ATOM 1170 CG ASN A 82 18.863 -10.040 5.633 1.00 0.00 C ATOM 1171 OD1 ASN A 82 18.879 -10.192 6.855 1.00 0.00 O ATOM 1172 ND2 ASN A 82 17.980 -10.644 4.847 1.00 0.00 N ATOM 0 H ASN A 82 20.021 -6.826 2.758 1.00 0.00 H new ATOM 0 HA ASN A 82 18.466 -8.118 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.343 -9.681 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.661 -8.879 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.277 -11.263 5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.004 -10.489 3.839 1.00 0.00 H new ATOM 1179 N LEU A 83 18.408 -5.779 5.346 1.00 0.00 N ATOM 1180 CA LEU A 83 17.792 -4.925 6.356 1.00 0.00 C ATOM 1181 C LEU A 83 16.274 -5.065 6.336 1.00 0.00 C ATOM 1182 O LEU A 83 15.619 -4.679 5.368 1.00 0.00 O ATOM 1183 CB LEU A 83 18.184 -3.464 6.124 1.00 0.00 C ATOM 1184 CG LEU A 83 19.549 -3.041 6.669 1.00 0.00 C ATOM 1185 CD1 LEU A 83 19.974 -1.711 6.066 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.513 -2.953 8.187 1.00 0.00 C ATOM 0 H LEU A 83 18.687 -5.292 4.494 1.00 0.00 H new ATOM 0 HA LEU A 83 18.154 -5.242 7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.167 -3.270 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.422 -2.828 6.575 1.00 0.00 H new ATOM 0 HG LEU A 83 20.282 -3.796 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.947 -1.425 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.040 -1.807 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.240 -0.946 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.493 -2.651 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.768 -2.218 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.253 -3.927 8.602 1.00 0.00 H new ATOM 1198 N GLN A 84 15.721 -5.618 7.410 1.00 0.00 N ATOM 1199 CA GLN A 84 14.279 -5.808 7.516 1.00 0.00 C ATOM 1200 C GLN A 84 13.606 -4.558 8.073 1.00 0.00 C ATOM 1201 O GLN A 84 13.953 -4.084 9.155 1.00 0.00 O ATOM 1202 CB GLN A 84 13.966 -7.011 8.406 1.00 0.00 C ATOM 1203 CG GLN A 84 13.862 -8.322 7.643 1.00 0.00 C ATOM 1204 CD GLN A 84 14.117 -9.531 8.522 1.00 0.00 C ATOM 1205 OE1 GLN A 84 15.141 -9.613 9.201 1.00 0.00 O ATOM 1206 NE2 GLN A 84 13.186 -10.477 8.513 1.00 0.00 N ATOM 0 H GLN A 84 16.250 -5.943 8.220 1.00 0.00 H new ATOM 0 HA GLN A 84 13.887 -5.994 6.516 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.743 -7.103 9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.028 -6.830 8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.869 -8.402 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.578 -8.317 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.353 -10.367 7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.304 -11.314 9.084 1.00 0.00 H new ATOM 1215 N SER A 85 12.640 -4.030 7.328 1.00 0.00 N ATOM 1216 CA SER A 85 11.920 -2.833 7.746 1.00 0.00 C ATOM 1217 C SER A 85 10.415 -3.084 7.769 1.00 0.00 C ATOM 1218 O SER A 85 9.958 -4.198 7.515 1.00 0.00 O ATOM 1219 CB SER A 85 12.240 -1.667 6.809 1.00 0.00 C ATOM 1220 OG SER A 85 11.945 -1.998 5.463 1.00 0.00 O ATOM 0 H SER A 85 12.338 -4.412 6.432 1.00 0.00 H new ATOM 0 HA SER A 85 12.243 -2.578 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.665 -0.790 7.105 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.294 -1.403 6.899 1.00 0.00 H new ATOM 0 HG SER A 85 12.510 -2.747 5.179 1.00 0.00 H new ATOM 1226 N GLN A 86 9.652 -2.040 8.075 1.00 0.00 N ATOM 1227 CA GLN A 86 8.199 -2.147 8.132 1.00 0.00 C ATOM 1228 C GLN A 86 7.549 -0.768 8.085 1.00 0.00 C ATOM 1229 O GLN A 86 8.027 0.176 8.714 1.00 0.00 O ATOM 1230 CB GLN A 86 7.770 -2.883 9.402 1.00 0.00 C ATOM 1231 CG GLN A 86 6.437 -3.601 9.269 1.00 0.00 C ATOM 1232 CD GLN A 86 5.858 -4.012 10.609 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.190 -3.223 11.277 1.00 0.00 O ATOM 1234 NE2 GLN A 86 6.113 -5.252 11.009 1.00 0.00 N ATOM 0 H GLN A 86 10.015 -1.111 8.287 1.00 0.00 H new ATOM 0 HA GLN A 86 7.868 -2.714 7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.539 -3.608 9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.708 -2.168 10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.728 -2.951 8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.566 -4.486 8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.672 -5.872 10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.750 -5.584 11.902 1.00 0.00 H new ATOM 1243 N SER A 87 6.457 -0.659 7.335 1.00 0.00 N ATOM 1244 CA SER A 87 5.744 0.606 7.202 1.00 0.00 C ATOM 1245 C SER A 87 4.280 0.369 6.843 1.00 0.00 C ATOM 1246 O SER A 87 3.971 -0.216 5.804 1.00 0.00 O ATOM 1247 CB SER A 87 6.407 1.480 6.137 1.00 0.00 C ATOM 1248 OG SER A 87 6.554 0.775 4.917 1.00 0.00 O ATOM 0 H SER A 87 6.047 -1.431 6.810 1.00 0.00 H new ATOM 0 HA SER A 87 5.786 1.121 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.808 2.376 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.384 1.810 6.490 1.00 0.00 H new ATOM 0 HG SER A 87 5.811 0.145 4.812 1.00 0.00 H new ATOM 1254 N SER A 88 3.383 0.827 7.710 1.00 0.00 N ATOM 1255 CA SER A 88 1.951 0.663 7.487 1.00 0.00 C ATOM 1256 C SER A 88 1.323 1.967 7.005 1.00 0.00 C ATOM 1257 O SER A 88 1.835 3.054 7.277 1.00 0.00 O ATOM 1258 CB SER A 88 1.264 0.196 8.771 1.00 0.00 C ATOM 1259 OG SER A 88 1.509 1.097 9.837 1.00 0.00 O ATOM 0 H SER A 88 3.622 1.315 8.573 1.00 0.00 H new ATOM 0 HA SER A 88 1.813 -0.093 6.714 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.191 0.110 8.602 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.625 -0.797 9.040 1.00 0.00 H new ATOM 0 HG SER A 88 1.058 0.777 10.646 1.00 0.00 H new ATOM 1265 N VAL A 89 0.209 1.851 6.289 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.491 3.020 5.769 1.00 0.00 C ATOM 1267 C VAL A 89 -1.991 2.920 6.024 1.00 0.00 C ATOM 1268 O VAL A 89 -2.604 1.882 5.780 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.248 3.194 4.258 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.650 1.936 3.504 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.005 4.405 3.734 1.00 0.00 C ATOM 0 H VAL A 89 -0.228 0.959 6.056 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.093 3.888 6.295 1.00 0.00 H new ATOM 0 HB VAL A 89 0.817 3.361 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.471 2.078 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.059 1.093 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.708 1.734 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.822 4.514 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.073 4.270 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.663 5.300 4.253 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.576 4.007 6.516 1.00 0.00 N ATOM 1282 CA ASN A 90 -4.005 4.042 6.804 1.00 0.00 C ATOM 1283 C ASN A 90 -4.807 4.349 5.543 1.00 0.00 C ATOM 1284 O ASN A 90 -4.678 5.425 4.959 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.304 5.089 7.879 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.070 4.562 9.281 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.150 4.995 9.975 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.905 3.620 9.706 1.00 0.00 N ATOM 0 H ASN A 90 -2.083 4.875 6.724 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.300 3.059 7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.676 5.965 7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.339 5.417 7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.797 3.227 10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.654 3.290 9.097 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.635 3.395 5.128 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.459 3.563 3.938 1.00 0.00 C ATOM 1297 C VAL A 91 -7.942 3.555 4.290 1.00 0.00 C ATOM 1298 O VAL A 91 -8.506 2.512 4.621 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.183 2.455 2.903 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.162 2.552 1.743 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.747 2.536 2.408 1.00 0.00 C ATOM 0 H VAL A 91 -5.752 2.498 5.599 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.196 4.528 3.506 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.323 1.488 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.952 1.762 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.180 2.441 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.057 3.523 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.569 1.747 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.577 3.507 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.065 2.413 3.249 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.568 4.725 4.218 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.986 4.852 4.528 1.00 0.00 C ATOM 1313 C ILE A 92 -10.813 5.028 3.258 1.00 0.00 C ATOM 1314 O ILE A 92 -10.348 5.606 2.276 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.252 6.043 5.469 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.529 5.838 6.801 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.747 6.218 5.692 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.121 6.390 6.816 1.00 0.00 C ATOM 0 H ILE A 92 -8.115 5.598 3.948 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.284 3.930 5.028 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.866 6.950 5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.105 6.313 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.495 4.772 7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.919 7.063 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.238 6.404 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.156 5.313 6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.670 6.209 7.791 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.529 5.897 6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.149 7.462 6.622 1.00 0.00 H new ATOM 1330 N VAL A 93 -12.044 4.526 3.286 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.937 4.629 2.139 1.00 0.00 C ATOM 1332 C VAL A 93 -14.227 5.353 2.510 1.00 0.00 C ATOM 1333 O VAL A 93 -14.959 4.922 3.401 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.286 3.240 1.572 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.234 3.369 0.389 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -12.021 2.495 1.175 1.00 0.00 C ATOM 0 H VAL A 93 -12.445 4.044 4.091 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.408 5.202 1.377 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.790 2.665 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.469 2.378 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.152 3.860 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.760 3.961 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.285 1.516 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.487 3.064 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.382 2.370 2.050 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.499 6.456 1.821 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.702 7.240 2.076 1.00 0.00 C ATOM 1348 C LYS A 94 -16.758 6.980 1.007 1.00 0.00 C ATOM 1349 O LYS A 94 -16.475 6.365 -0.020 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.362 8.732 2.121 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.996 9.231 3.507 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.522 9.017 3.806 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.181 9.402 5.238 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.952 10.866 5.379 1.00 0.00 N ATOM 0 H LYS A 94 -13.903 6.827 1.082 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.106 6.936 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.531 8.927 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.215 9.302 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.234 10.292 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -15.598 8.712 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.264 7.971 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.920 9.609 3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.992 9.096 5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.289 8.863 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.091 11.030 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.839 11.292 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.766 11.300 5.860 1.00 0.00 H new ATOM 1368 N GLU A 95 -17.975 7.455 1.255 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.072 7.273 0.312 1.00 0.00 C ATOM 1370 C GLU A 95 -19.116 8.416 -0.697 1.00 0.00 C ATOM 1371 O GLU A 95 -18.470 9.447 -0.512 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.405 7.184 1.058 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.784 5.770 1.462 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.135 5.700 2.146 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.280 6.295 3.234 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -23.047 5.050 1.594 1.00 0.00 O ATOM 0 H GLU A 95 -18.226 7.968 2.100 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.903 6.341 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.354 7.806 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.193 7.596 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.796 5.134 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.021 5.371 2.131 1.00 0.00 H new