USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 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 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 104 SER OG : rot -140:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 16 THR OG1 : rot 123:sc= 1.16 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 11 GLN : amide:sc= -4.32! C(o=-4.3!,f=-1.4!) USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -1.34 (180deg=-2.24) USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 0.313 (180deg=0.309) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -101:sc= 0.979 USER MOD Single : A 28 SER OG : rot -39:sc= 0.105 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= -3.74! (180deg=-3.82!) USER MOD Single : A 37 SER OG : rot -76:sc= 0.258 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 1.06 (180deg=1.06) USER MOD Single : A 40 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.29) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 0.0507 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 50 GLN : amide:sc= -6.59! C(o=-6.6!,f=-10!) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= -0.656 (180deg=-0.757) USER MOD Single : A 58 GLN : amide:sc= -1.04! C(o=-1!,f=-2.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -32:sc= 0.357 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 71 GLN : amide:sc=-0.00248 X(o=-0.0025,f=-0.0025) USER MOD Single : A 74 SER OG : rot -120:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 104.029 -1.347 -0.680 1.00 0.00 N ATOM 165 CA GLN A 11 103.006 -0.432 -1.175 1.00 0.00 C ATOM 166 C GLN A 11 101.838 -1.211 -1.766 1.00 0.00 C ATOM 167 O GLN A 11 101.986 -1.895 -2.781 1.00 0.00 O ATOM 168 CB GLN A 11 103.602 0.491 -2.244 1.00 0.00 C ATOM 169 CG GLN A 11 104.888 1.142 -1.715 1.00 0.00 C ATOM 170 CD GLN A 11 106.084 0.199 -1.869 1.00 0.00 C ATOM 171 OE1 GLN A 11 107.175 0.503 -1.386 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.948 -0.933 -2.508 1.00 0.00 N ATOM 0 HA GLN A 11 102.644 0.168 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.818 -0.078 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.880 1.261 -2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 11 105.079 2.069 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 11 104.761 1.406 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.045 -1.187 -2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.745 -1.562 -2.606 1.00 0.00 H new ATOM 181 N ILE A 12 100.678 -1.113 -1.122 1.00 0.00 N ATOM 182 CA ILE A 12 99.493 -1.824 -1.592 1.00 0.00 C ATOM 183 C ILE A 12 98.887 -1.126 -2.803 1.00 0.00 C ATOM 184 O ILE A 12 99.342 -0.055 -3.207 1.00 0.00 O ATOM 185 CB ILE A 12 98.445 -1.904 -0.478 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.114 -0.489 0.018 1.00 0.00 C ATOM 187 CG2 ILE A 12 98.991 -2.745 0.681 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.761 -0.497 0.735 1.00 0.00 C ATOM 0 H ILE A 12 100.534 -0.554 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 12 99.798 -2.831 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 12 97.539 -2.371 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.893 -0.139 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 12 98.087 0.204 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.244 -2.801 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.219 -3.750 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.898 -2.283 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.529 0.509 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.985 -0.828 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.804 -1.177 1.586 1.00 0.00 H new ATOM 200 N PHE A 13 97.849 -1.736 -3.365 1.00 0.00 N ATOM 201 CA PHE A 13 97.169 -1.165 -4.519 1.00 0.00 C ATOM 202 C PHE A 13 95.697 -0.956 -4.200 1.00 0.00 C ATOM 203 O PHE A 13 95.036 -1.853 -3.681 1.00 0.00 O ATOM 204 CB PHE A 13 97.318 -2.088 -5.732 1.00 0.00 C ATOM 205 CG PHE A 13 98.596 -1.750 -6.467 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.822 -2.251 -6.009 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.555 -0.937 -7.605 1.00 0.00 C ATOM 208 CE1 PHE A 13 101.004 -1.937 -6.689 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.737 -0.622 -8.285 1.00 0.00 C ATOM 210 CZ PHE A 13 100.961 -1.123 -7.828 1.00 0.00 C ATOM 0 H PHE A 13 97.462 -2.622 -3.041 1.00 0.00 H new ATOM 0 HA PHE A 13 97.622 -0.202 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.335 -3.129 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.462 -1.974 -6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.855 -2.879 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.610 -0.552 -7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.949 -2.322 -6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 13 99.704 0.007 -9.162 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.873 -0.882 -8.354 1.00 0.00 H new ATOM 220 N ALA A 14 95.196 0.235 -4.513 1.00 0.00 N ATOM 221 CA ALA A 14 93.799 0.564 -4.258 1.00 0.00 C ATOM 222 C ALA A 14 93.113 0.966 -5.556 1.00 0.00 C ATOM 223 O ALA A 14 93.729 1.580 -6.426 1.00 0.00 O ATOM 224 CB ALA A 14 93.705 1.712 -3.251 1.00 0.00 C ATOM 0 H ALA A 14 95.736 0.986 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 14 93.302 -0.314 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.657 1.950 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.179 1.415 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.212 2.590 -3.652 1.00 0.00 H new ATOM 230 N LYS A 15 91.838 0.614 -5.679 1.00 0.00 N ATOM 231 CA LYS A 15 91.082 0.944 -6.879 1.00 0.00 C ATOM 232 C LYS A 15 89.736 1.556 -6.519 1.00 0.00 C ATOM 233 O LYS A 15 88.899 0.914 -5.884 1.00 0.00 O ATOM 234 CB LYS A 15 90.865 -0.309 -7.729 1.00 0.00 C ATOM 235 CG LYS A 15 90.325 0.096 -9.107 1.00 0.00 C ATOM 236 CD LYS A 15 91.328 -0.304 -10.196 1.00 0.00 C ATOM 237 CE LYS A 15 91.125 -1.775 -10.571 1.00 0.00 C ATOM 238 NZ LYS A 15 91.576 -2.645 -9.448 1.00 0.00 N ATOM 0 H LYS A 15 91.311 0.105 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 15 91.656 1.673 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.803 -0.854 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.163 -0.980 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.365 -0.388 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.151 1.172 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.196 0.327 -11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.347 -0.147 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 15 90.074 -1.963 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 15 91.686 -2.011 -11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 91.793 -3.595 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 92.428 -2.237 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 90.822 -2.710 -8.735 1.00 0.00 H new ATOM 252 N THR A 16 89.533 2.801 -6.941 1.00 0.00 N ATOM 253 CA THR A 16 88.281 3.495 -6.673 1.00 0.00 C ATOM 254 C THR A 16 87.130 2.794 -7.389 1.00 0.00 C ATOM 255 O THR A 16 87.350 2.011 -8.314 1.00 0.00 O ATOM 256 CB THR A 16 88.374 4.946 -7.156 1.00 0.00 C ATOM 257 OG1 THR A 16 88.794 4.962 -8.512 1.00 0.00 O ATOM 258 CG2 THR A 16 89.382 5.713 -6.297 1.00 0.00 C ATOM 0 H THR A 16 90.216 3.346 -7.467 1.00 0.00 H new ATOM 0 HA THR A 16 88.097 3.483 -5.599 1.00 0.00 H new ATOM 0 HB THR A 16 87.397 5.421 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.132 5.439 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.445 6.744 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.058 5.699 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.362 5.242 -6.378 1.00 0.00 H new ATOM 266 N LEU A 17 85.904 3.083 -6.962 1.00 0.00 N ATOM 267 CA LEU A 17 84.731 2.473 -7.578 1.00 0.00 C ATOM 268 C LEU A 17 84.563 2.977 -9.011 1.00 0.00 C ATOM 269 O LEU A 17 83.755 2.449 -9.775 1.00 0.00 O ATOM 270 CB LEU A 17 83.481 2.804 -6.754 1.00 0.00 C ATOM 271 CG LEU A 17 82.321 1.875 -7.143 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.793 0.416 -7.155 1.00 0.00 C ATOM 273 CD2 LEU A 17 81.187 2.027 -6.126 1.00 0.00 C ATOM 0 H LEU A 17 85.698 3.729 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 17 84.867 1.392 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.700 2.698 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.194 3.843 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 17 81.969 2.146 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.962 -0.233 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.600 0.301 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 17 83.152 0.142 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 17 80.362 1.369 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 81.550 1.760 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.840 3.060 -6.120 1.00 0.00 H new ATOM 285 N THR A 18 85.342 3.997 -9.364 1.00 0.00 N ATOM 286 CA THR A 18 85.288 4.570 -10.706 1.00 0.00 C ATOM 287 C THR A 18 86.251 3.840 -11.639 1.00 0.00 C ATOM 288 O THR A 18 86.157 3.963 -12.861 1.00 0.00 O ATOM 289 CB THR A 18 85.648 6.058 -10.648 1.00 0.00 C ATOM 290 OG1 THR A 18 86.952 6.207 -10.104 1.00 0.00 O ATOM 291 CG2 THR A 18 84.636 6.795 -9.768 1.00 0.00 C ATOM 0 H THR A 18 86.016 4.442 -8.741 1.00 0.00 H new ATOM 0 HA THR A 18 84.276 4.457 -11.094 1.00 0.00 H new ATOM 0 HB THR A 18 85.624 6.478 -11.653 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.185 7.158 -10.068 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.892 7.854 -9.727 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.637 6.680 -10.188 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.657 6.377 -8.761 1.00 0.00 H new ATOM 299 N GLY A 19 87.172 3.072 -11.054 1.00 0.00 N ATOM 300 CA GLY A 19 88.144 2.314 -11.839 1.00 0.00 C ATOM 301 C GLY A 19 89.506 3.004 -11.871 1.00 0.00 C ATOM 302 O GLY A 19 90.295 2.786 -12.792 1.00 0.00 O ATOM 0 H GLY A 19 87.264 2.960 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.252 1.315 -11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.774 2.192 -12.857 1.00 0.00 H new ATOM 306 N LYS A 20 89.783 3.825 -10.861 1.00 0.00 N ATOM 307 CA LYS A 20 91.062 4.530 -10.784 1.00 0.00 C ATOM 308 C LYS A 20 92.023 3.765 -9.877 1.00 0.00 C ATOM 309 O LYS A 20 91.687 3.450 -8.736 1.00 0.00 O ATOM 310 CB LYS A 20 90.847 5.947 -10.240 1.00 0.00 C ATOM 311 CG LYS A 20 91.911 6.892 -10.810 1.00 0.00 C ATOM 312 CD LYS A 20 92.760 7.460 -9.669 1.00 0.00 C ATOM 313 CE LYS A 20 93.291 8.840 -10.063 1.00 0.00 C ATOM 314 NZ LYS A 20 92.177 9.829 -10.026 1.00 0.00 N ATOM 0 H LYS A 20 89.145 4.018 -10.089 1.00 0.00 H new ATOM 0 HA LYS A 20 91.492 4.596 -11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.852 6.302 -10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.900 5.940 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.545 6.357 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.434 7.703 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.163 7.535 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.590 6.788 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 20 94.085 9.144 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.726 8.803 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 92.549 10.779 -10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 91.465 9.577 -10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 91.738 9.822 -9.083 1.00 0.00 H new ATOM 328 N THR A 21 93.216 3.463 -10.393 1.00 0.00 N ATOM 329 CA THR A 21 94.213 2.723 -9.619 1.00 0.00 C ATOM 330 C THR A 21 95.130 3.674 -8.855 1.00 0.00 C ATOM 331 O THR A 21 95.707 4.594 -9.435 1.00 0.00 O ATOM 332 CB THR A 21 95.053 1.844 -10.552 1.00 0.00 C ATOM 333 OG1 THR A 21 94.194 1.150 -11.447 1.00 0.00 O ATOM 334 CG2 THR A 21 95.855 0.834 -9.726 1.00 0.00 C ATOM 0 H THR A 21 93.513 3.717 -11.335 1.00 0.00 H new ATOM 0 HA THR A 21 93.685 2.096 -8.900 1.00 0.00 H new ATOM 0 HB THR A 21 95.740 2.472 -11.119 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.730 0.589 -12.046 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.451 0.211 -10.392 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.514 1.366 -9.041 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.171 0.205 -9.156 1.00 0.00 H new ATOM 342 N ILE A 22 95.259 3.438 -7.550 1.00 0.00 N ATOM 343 CA ILE A 22 96.110 4.272 -6.703 1.00 0.00 C ATOM 344 C ILE A 22 96.986 3.403 -5.802 1.00 0.00 C ATOM 345 O ILE A 22 96.499 2.469 -5.165 1.00 0.00 O ATOM 346 CB ILE A 22 95.248 5.200 -5.840 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.187 5.879 -6.713 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.135 6.272 -5.196 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.062 6.412 -5.827 1.00 0.00 C ATOM 0 H ILE A 22 94.787 2.679 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 22 96.752 4.872 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 22 94.758 4.614 -5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.635 6.695 -7.280 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.788 5.169 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.521 6.932 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.889 5.793 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.626 6.854 -5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.308 6.895 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.607 5.586 -5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.468 7.136 -5.120 1.00 0.00 H new ATOM 361 N THR A 23 98.278 3.720 -5.753 1.00 0.00 N ATOM 362 CA THR A 23 99.217 2.966 -4.925 1.00 0.00 C ATOM 363 C THR A 23 99.625 3.790 -3.705 1.00 0.00 C ATOM 364 O THR A 23 100.000 4.956 -3.832 1.00 0.00 O ATOM 365 CB THR A 23 100.460 2.602 -5.745 1.00 0.00 C ATOM 366 OG1 THR A 23 100.070 2.256 -7.067 1.00 0.00 O ATOM 367 CG2 THR A 23 101.177 1.414 -5.098 1.00 0.00 C ATOM 0 H THR A 23 98.697 4.490 -6.274 1.00 0.00 H new ATOM 0 HA THR A 23 98.730 2.051 -4.586 1.00 0.00 H new ATOM 0 HB THR A 23 101.135 3.457 -5.775 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.069 1.281 -7.163 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.060 1.159 -5.684 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.478 1.679 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.504 0.557 -5.064 1.00 0.00 H new ATOM 375 N LEU A 24 99.541 3.177 -2.524 1.00 0.00 N ATOM 376 CA LEU A 24 99.896 3.868 -1.283 1.00 0.00 C ATOM 377 C LEU A 24 100.815 3.007 -0.416 1.00 0.00 C ATOM 378 O LEU A 24 100.633 1.789 -0.311 1.00 0.00 O ATOM 379 CB LEU A 24 98.631 4.230 -0.488 1.00 0.00 C ATOM 380 CG LEU A 24 97.469 3.304 -0.876 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.558 3.089 0.335 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.662 3.942 -2.011 1.00 0.00 C ATOM 0 H LEU A 24 99.233 2.212 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 24 100.426 4.781 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.829 4.146 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.357 5.267 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 24 97.868 2.345 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.734 2.432 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.129 2.634 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.161 4.048 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 24 95.838 3.284 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.265 4.902 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.308 4.095 -2.876 1.00 0.00 H new ATOM 394 N GLU A 25 101.802 3.657 0.200 1.00 0.00 N ATOM 395 CA GLU A 25 102.758 2.965 1.063 1.00 0.00 C ATOM 396 C GLU A 25 102.145 2.688 2.433 1.00 0.00 C ATOM 397 O GLU A 25 101.985 3.599 3.246 1.00 0.00 O ATOM 398 CB GLU A 25 104.019 3.818 1.240 1.00 0.00 C ATOM 399 CG GLU A 25 104.651 4.110 -0.125 1.00 0.00 C ATOM 400 CD GLU A 25 106.168 3.942 -0.047 1.00 0.00 C ATOM 401 OE1 GLU A 25 106.611 2.845 0.252 1.00 0.00 O ATOM 402 OE2 GLU A 25 106.864 4.915 -0.287 1.00 0.00 O ATOM 0 H GLU A 25 101.960 4.661 0.117 1.00 0.00 H new ATOM 0 HA GLU A 25 103.018 2.018 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.768 4.753 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.734 3.297 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 25 104.241 3.435 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.405 5.124 -0.439 1.00 0.00 H new ATOM 409 N VAL A 26 101.805 1.426 2.681 1.00 0.00 N ATOM 410 CA VAL A 26 101.211 1.043 3.962 1.00 0.00 C ATOM 411 C VAL A 26 101.925 -0.165 4.563 1.00 0.00 C ATOM 412 O VAL A 26 102.949 -0.620 4.049 1.00 0.00 O ATOM 413 CB VAL A 26 99.717 0.727 3.784 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.053 1.809 2.928 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.553 -0.637 3.104 1.00 0.00 C ATOM 0 H VAL A 26 101.928 0.658 2.021 1.00 0.00 H new ATOM 0 HA VAL A 26 101.323 1.884 4.646 1.00 0.00 H new ATOM 0 HB VAL A 26 99.241 0.702 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.995 1.578 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.159 2.777 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.532 1.843 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.493 -0.857 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.036 -0.617 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.014 -1.409 3.721 1.00 0.00 H new ATOM 425 N GLU A 27 101.360 -0.678 5.654 1.00 0.00 N ATOM 426 CA GLU A 27 101.921 -1.838 6.338 1.00 0.00 C ATOM 427 C GLU A 27 100.975 -3.026 6.212 1.00 0.00 C ATOM 428 O GLU A 27 99.805 -2.862 5.871 1.00 0.00 O ATOM 429 CB GLU A 27 102.154 -1.509 7.817 1.00 0.00 C ATOM 430 CG GLU A 27 103.591 -1.014 8.014 1.00 0.00 C ATOM 431 CD GLU A 27 104.542 -2.202 8.131 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.016 -2.662 7.104 1.00 0.00 O ATOM 433 OE2 GLU A 27 104.783 -2.636 9.245 1.00 0.00 O ATOM 0 H GLU A 27 100.512 -0.307 6.083 1.00 0.00 H new ATOM 0 HA GLU A 27 102.874 -2.095 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.448 -0.747 8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 27 101.976 -2.393 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 103.885 -0.384 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.652 -0.399 8.912 1.00 0.00 H new ATOM 440 N SER A 28 101.487 -4.221 6.486 1.00 0.00 N ATOM 441 CA SER A 28 100.676 -5.430 6.394 1.00 0.00 C ATOM 442 C SER A 28 99.552 -5.418 7.429 1.00 0.00 C ATOM 443 O SER A 28 98.605 -6.194 7.325 1.00 0.00 O ATOM 444 CB SER A 28 101.558 -6.660 6.612 1.00 0.00 C ATOM 445 OG SER A 28 100.785 -7.837 6.410 1.00 0.00 O ATOM 0 H SER A 28 102.453 -4.378 6.772 1.00 0.00 H new ATOM 0 HA SER A 28 100.229 -5.466 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 28 102.402 -6.643 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 28 101.971 -6.651 7.621 1.00 0.00 H new ATOM 0 HG SER A 28 99.887 -7.706 6.779 1.00 0.00 H new ATOM 451 N SER A 29 99.688 -4.571 8.448 1.00 0.00 N ATOM 452 CA SER A 29 98.701 -4.496 9.522 1.00 0.00 C ATOM 453 C SER A 29 98.064 -3.109 9.612 1.00 0.00 C ATOM 454 O SER A 29 97.273 -2.851 10.520 1.00 0.00 O ATOM 455 CB SER A 29 99.367 -4.836 10.857 1.00 0.00 C ATOM 456 OG SER A 29 100.271 -3.797 11.213 1.00 0.00 O ATOM 0 H SER A 29 100.472 -3.927 8.552 1.00 0.00 H new ATOM 0 HA SER A 29 97.913 -5.215 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 29 98.611 -4.957 11.633 1.00 0.00 H new ATOM 0 HB3 SER A 29 99.898 -5.785 10.780 1.00 0.00 H new ATOM 0 HG SER A 29 100.697 -4.013 12.069 1.00 0.00 H new ATOM 462 N ASP A 30 98.406 -2.217 8.680 1.00 0.00 N ATOM 463 CA ASP A 30 97.847 -0.865 8.687 1.00 0.00 C ATOM 464 C ASP A 30 96.332 -0.919 8.900 1.00 0.00 C ATOM 465 O ASP A 30 95.688 -1.916 8.572 1.00 0.00 O ATOM 466 CB ASP A 30 98.194 -0.156 7.364 1.00 0.00 C ATOM 467 CG ASP A 30 96.941 0.393 6.679 1.00 0.00 C ATOM 468 OD1 ASP A 30 96.163 -0.399 6.178 1.00 0.00 O ATOM 469 OD2 ASP A 30 96.785 1.601 6.657 1.00 0.00 O ATOM 0 H ASP A 30 99.060 -2.404 7.919 1.00 0.00 H new ATOM 0 HA ASP A 30 98.281 -0.298 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.891 0.659 7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.699 -0.855 6.697 1.00 0.00 H new ATOM 474 N THR A 31 95.772 0.155 9.449 1.00 0.00 N ATOM 475 CA THR A 31 94.334 0.209 9.701 1.00 0.00 C ATOM 476 C THR A 31 93.623 0.972 8.591 1.00 0.00 C ATOM 477 O THR A 31 94.248 1.734 7.854 1.00 0.00 O ATOM 478 CB THR A 31 94.057 0.886 11.047 1.00 0.00 C ATOM 479 OG1 THR A 31 94.341 2.276 10.943 1.00 0.00 O ATOM 480 CG2 THR A 31 94.940 0.264 12.131 1.00 0.00 C ATOM 0 H THR A 31 96.285 0.992 9.726 1.00 0.00 H new ATOM 0 HA THR A 31 93.954 -0.812 9.727 1.00 0.00 H new ATOM 0 HB THR A 31 93.009 0.745 11.313 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.163 2.712 11.803 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.739 0.749 13.086 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.722 -0.801 12.212 1.00 0.00 H new ATOM 0 HG23 THR A 31 95.989 0.400 11.868 1.00 0.00 H new ATOM 488 N ILE A 32 92.312 0.765 8.482 1.00 0.00 N ATOM 489 CA ILE A 32 91.527 1.444 7.455 1.00 0.00 C ATOM 490 C ILE A 32 91.754 2.950 7.527 1.00 0.00 C ATOM 491 O ILE A 32 92.055 3.581 6.520 1.00 0.00 O ATOM 492 CB ILE A 32 90.035 1.131 7.618 1.00 0.00 C ATOM 493 CG1 ILE A 32 89.838 -0.377 7.830 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.276 1.569 6.360 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.603 -1.165 6.759 1.00 0.00 C ATOM 0 H ILE A 32 91.777 0.140 9.085 1.00 0.00 H new ATOM 0 HA ILE A 32 91.853 1.082 6.480 1.00 0.00 H new ATOM 0 HB ILE A 32 89.651 1.671 8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.189 -0.661 8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 32 88.777 -0.623 7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.216 1.345 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.406 2.641 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.665 1.033 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.456 -2.233 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.232 -0.892 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.666 -0.931 6.825 1.00 0.00 H new ATOM 507 N ASP A 33 91.613 3.520 8.723 1.00 0.00 N ATOM 508 CA ASP A 33 91.815 4.957 8.904 1.00 0.00 C ATOM 509 C ASP A 33 93.082 5.409 8.184 1.00 0.00 C ATOM 510 O ASP A 33 93.079 6.416 7.475 1.00 0.00 O ATOM 511 CB ASP A 33 91.923 5.285 10.395 1.00 0.00 C ATOM 512 CG ASP A 33 90.668 4.810 11.123 1.00 0.00 C ATOM 513 OD1 ASP A 33 89.638 5.444 10.964 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.756 3.817 11.828 1.00 0.00 O ATOM 0 H ASP A 33 91.362 3.015 9.573 1.00 0.00 H new ATOM 0 HA ASP A 33 90.961 5.485 8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 33 92.804 4.804 10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.049 6.359 10.532 1.00 0.00 H new ATOM 519 N ASN A 34 94.160 4.643 8.357 1.00 0.00 N ATOM 520 CA ASN A 34 95.424 4.961 7.704 1.00 0.00 C ATOM 521 C ASN A 34 95.266 4.835 6.191 1.00 0.00 C ATOM 522 O ASN A 34 95.818 5.626 5.430 1.00 0.00 O ATOM 523 CB ASN A 34 96.526 4.019 8.203 1.00 0.00 C ATOM 524 CG ASN A 34 97.300 4.679 9.337 1.00 0.00 C ATOM 525 OD1 ASN A 34 96.881 4.618 10.494 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.412 5.313 9.076 1.00 0.00 N ATOM 0 H ASN A 34 94.181 3.806 8.939 1.00 0.00 H new ATOM 0 HA ASN A 34 95.706 5.985 7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.087 3.083 8.548 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.203 3.772 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 34 98.934 5.758 9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.758 5.363 8.118 1.00 0.00 H new ATOM 533 N VAL A 35 94.479 3.846 5.770 1.00 0.00 N ATOM 534 CA VAL A 35 94.222 3.639 4.346 1.00 0.00 C ATOM 535 C VAL A 35 93.503 4.862 3.782 1.00 0.00 C ATOM 536 O VAL A 35 93.868 5.378 2.723 1.00 0.00 O ATOM 537 CB VAL A 35 93.369 2.382 4.122 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.069 2.222 2.628 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.129 1.148 4.616 1.00 0.00 C ATOM 0 H VAL A 35 94.013 3.182 6.388 1.00 0.00 H new ATOM 0 HA VAL A 35 95.174 3.500 3.833 1.00 0.00 H new ATOM 0 HB VAL A 35 92.435 2.482 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 35 92.464 1.329 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 35 92.525 3.096 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.005 2.127 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 35 93.521 0.258 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.065 1.052 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.343 1.254 5.679 1.00 0.00 H new ATOM 549 N LYS A 36 92.487 5.327 4.511 1.00 0.00 N ATOM 550 CA LYS A 36 91.725 6.499 4.095 1.00 0.00 C ATOM 551 C LYS A 36 92.655 7.703 3.965 1.00 0.00 C ATOM 552 O LYS A 36 92.836 8.244 2.875 1.00 0.00 O ATOM 553 CB LYS A 36 90.624 6.805 5.118 1.00 0.00 C ATOM 554 CG LYS A 36 89.800 5.544 5.400 1.00 0.00 C ATOM 555 CD LYS A 36 88.497 5.931 6.109 1.00 0.00 C ATOM 556 CE LYS A 36 87.903 4.704 6.807 1.00 0.00 C ATOM 557 NZ LYS A 36 88.793 4.285 7.927 1.00 0.00 N ATOM 0 H LYS A 36 92.176 4.910 5.388 1.00 0.00 H new ATOM 0 HA LYS A 36 91.264 6.293 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.069 7.172 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 36 89.975 7.595 4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.578 5.026 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.372 4.854 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.689 6.718 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 36 87.785 6.331 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 36 86.908 4.936 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 36 87.790 3.887 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 88.363 3.484 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 89.718 3.999 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 88.920 5.080 8.585 1.00 0.00 H new ATOM 571 N SER A 37 93.238 8.113 5.089 1.00 0.00 N ATOM 572 CA SER A 37 94.154 9.251 5.104 1.00 0.00 C ATOM 573 C SER A 37 95.208 9.108 4.007 1.00 0.00 C ATOM 574 O SER A 37 95.427 10.030 3.218 1.00 0.00 O ATOM 575 CB SER A 37 94.841 9.344 6.468 1.00 0.00 C ATOM 576 OG SER A 37 95.386 8.077 6.808 1.00 0.00 O ATOM 0 H SER A 37 93.093 7.676 5.999 1.00 0.00 H new ATOM 0 HA SER A 37 93.581 10.160 4.921 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.630 10.096 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.126 9.660 7.227 1.00 0.00 H new ATOM 0 HG SER A 37 94.666 7.477 7.093 1.00 0.00 H new ATOM 582 N LYS A 38 95.854 7.944 3.963 1.00 0.00 N ATOM 583 CA LYS A 38 96.881 7.685 2.956 1.00 0.00 C ATOM 584 C LYS A 38 96.370 8.067 1.569 1.00 0.00 C ATOM 585 O LYS A 38 97.138 8.515 0.717 1.00 0.00 O ATOM 586 CB LYS A 38 97.282 6.207 2.968 1.00 0.00 C ATOM 587 CG LYS A 38 98.252 5.947 4.127 1.00 0.00 C ATOM 588 CD LYS A 38 99.694 6.181 3.660 1.00 0.00 C ATOM 589 CE LYS A 38 100.617 6.293 4.877 1.00 0.00 C ATOM 590 NZ LYS A 38 102.036 6.184 4.437 1.00 0.00 N ATOM 0 H LYS A 38 95.686 7.171 4.607 1.00 0.00 H new ATOM 0 HA LYS A 38 97.755 8.291 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.396 5.580 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.751 5.939 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.019 6.607 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.138 4.924 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.017 5.360 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.750 7.091 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 38 100.454 7.244 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 38 100.386 5.506 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.663 6.260 5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 102.186 5.266 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 102.252 6.950 3.767 1.00 0.00 H new ATOM 604 N ILE A 39 95.068 7.894 1.357 1.00 0.00 N ATOM 605 CA ILE A 39 94.464 8.233 0.075 1.00 0.00 C ATOM 606 C ILE A 39 94.412 9.751 -0.105 1.00 0.00 C ATOM 607 O ILE A 39 94.694 10.260 -1.190 1.00 0.00 O ATOM 608 CB ILE A 39 93.054 7.618 -0.020 1.00 0.00 C ATOM 609 CG1 ILE A 39 92.959 6.762 -1.290 1.00 0.00 C ATOM 610 CG2 ILE A 39 91.975 8.712 -0.056 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.200 7.629 -2.531 1.00 0.00 C ATOM 0 H ILE A 39 94.417 7.524 2.050 1.00 0.00 H new ATOM 0 HA ILE A 39 95.076 7.820 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 39 92.885 7.000 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.693 5.958 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 39 91.976 6.294 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 39 90.990 8.250 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.034 9.311 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.135 9.352 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.130 7.011 -3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.449 8.418 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.193 8.076 -2.475 1.00 0.00 H new ATOM 623 N GLN A 40 94.051 10.468 0.961 1.00 0.00 N ATOM 624 CA GLN A 40 93.969 11.927 0.898 1.00 0.00 C ATOM 625 C GLN A 40 95.307 12.523 0.472 1.00 0.00 C ATOM 626 O GLN A 40 95.357 13.593 -0.126 1.00 0.00 O ATOM 627 CB GLN A 40 93.537 12.495 2.260 1.00 0.00 C ATOM 628 CG GLN A 40 94.757 12.962 3.066 1.00 0.00 C ATOM 629 CD GLN A 40 94.394 13.070 4.544 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.543 13.878 4.919 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.995 12.303 5.412 1.00 0.00 N ATOM 0 H GLN A 40 93.813 10.067 1.868 1.00 0.00 H new ATOM 0 HA GLN A 40 93.221 12.199 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.853 13.330 2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.994 11.734 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.580 12.260 2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.100 13.928 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 40 95.699 11.634 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.760 12.372 6.402 1.00 0.00 H new ATOM 640 N ASP A 41 96.390 11.815 0.765 1.00 0.00 N ATOM 641 CA ASP A 41 97.713 12.289 0.380 1.00 0.00 C ATOM 642 C ASP A 41 97.895 12.121 -1.126 1.00 0.00 C ATOM 643 O ASP A 41 98.662 12.846 -1.761 1.00 0.00 O ATOM 644 CB ASP A 41 98.790 11.491 1.124 1.00 0.00 C ATOM 645 CG ASP A 41 100.174 11.846 0.585 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.698 12.874 0.982 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.688 11.084 -0.217 1.00 0.00 O ATOM 0 H ASP A 41 96.381 10.924 1.261 1.00 0.00 H new ATOM 0 HA ASP A 41 97.808 13.343 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.741 11.707 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.608 10.423 1.006 1.00 0.00 H new ATOM 652 N LYS A 42 97.190 11.137 -1.676 1.00 0.00 N ATOM 653 CA LYS A 42 97.272 10.833 -3.101 1.00 0.00 C ATOM 654 C LYS A 42 96.226 11.594 -3.922 1.00 0.00 C ATOM 655 O LYS A 42 96.525 12.050 -5.027 1.00 0.00 O ATOM 656 CB LYS A 42 97.092 9.327 -3.320 1.00 0.00 C ATOM 657 CG LYS A 42 98.100 8.551 -2.463 1.00 0.00 C ATOM 658 CD LYS A 42 99.488 8.614 -3.110 1.00 0.00 C ATOM 659 CE LYS A 42 100.555 8.219 -2.083 1.00 0.00 C ATOM 660 NZ LYS A 42 101.805 8.987 -2.346 1.00 0.00 N ATOM 0 H LYS A 42 96.553 10.535 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 42 98.256 11.152 -3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.076 9.032 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.234 9.084 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.137 8.972 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.782 7.513 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.530 7.944 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.682 9.620 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.196 8.421 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.754 7.149 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 102.629 8.404 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.851 9.240 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 101.808 9.853 -1.771 1.00 0.00 H new ATOM 674 N GLU A 43 94.998 11.706 -3.408 1.00 0.00 N ATOM 675 CA GLU A 43 93.932 12.392 -4.149 1.00 0.00 C ATOM 676 C GLU A 43 93.320 13.550 -3.359 1.00 0.00 C ATOM 677 O GLU A 43 92.324 14.135 -3.790 1.00 0.00 O ATOM 678 CB GLU A 43 92.823 11.394 -4.491 1.00 0.00 C ATOM 679 CG GLU A 43 93.388 10.243 -5.326 1.00 0.00 C ATOM 680 CD GLU A 43 92.245 9.476 -5.985 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.429 8.929 -5.260 1.00 0.00 O ATOM 682 OE2 GLU A 43 92.200 9.450 -7.202 1.00 0.00 O ATOM 0 H GLU A 43 94.719 11.338 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 43 94.383 12.802 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.379 11.005 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.028 11.897 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 43 94.065 10.631 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.971 9.574 -4.693 1.00 0.00 H new ATOM 689 N GLY A 44 93.907 13.886 -2.217 1.00 0.00 N ATOM 690 CA GLY A 44 93.386 14.985 -1.401 1.00 0.00 C ATOM 691 C GLY A 44 92.099 14.576 -0.683 1.00 0.00 C ATOM 692 O GLY A 44 91.838 15.016 0.437 1.00 0.00 O ATOM 0 H GLY A 44 94.732 13.424 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.135 15.285 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.194 15.852 -2.033 1.00 0.00 H new ATOM 696 N ILE A 45 91.300 13.742 -1.350 1.00 0.00 N ATOM 697 CA ILE A 45 90.028 13.271 -0.798 1.00 0.00 C ATOM 698 C ILE A 45 90.134 13.022 0.707 1.00 0.00 C ATOM 699 O ILE A 45 90.947 12.212 1.152 1.00 0.00 O ATOM 700 CB ILE A 45 89.608 11.971 -1.495 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.662 12.155 -3.019 1.00 0.00 C ATOM 702 CG2 ILE A 45 88.184 11.596 -1.072 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.726 13.290 -3.449 1.00 0.00 C ATOM 0 H ILE A 45 91.513 13.377 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 45 89.281 14.046 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 45 90.293 11.174 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 45 90.683 12.378 -3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.373 11.228 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.888 10.672 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 45 88.151 11.454 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.498 12.395 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.773 13.410 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 45 87.704 13.050 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 45 89.034 14.218 -2.967 1.00 0.00 H new ATOM 715 N PRO A 46 89.324 13.694 1.491 1.00 0.00 N ATOM 716 CA PRO A 46 89.334 13.528 2.968 1.00 0.00 C ATOM 717 C PRO A 46 88.970 12.101 3.378 1.00 0.00 C ATOM 718 O PRO A 46 88.026 11.518 2.844 1.00 0.00 O ATOM 719 CB PRO A 46 88.309 14.536 3.499 1.00 0.00 C ATOM 720 CG PRO A 46 87.741 15.270 2.322 1.00 0.00 C ATOM 721 CD PRO A 46 88.322 14.668 1.041 1.00 0.00 C ATOM 0 HA PRO A 46 90.327 13.706 3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.519 14.025 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.781 15.232 4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.654 15.192 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.984 16.331 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.546 14.187 0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.774 15.437 0.415 1.00 0.00 H new ATOM 729 N PRO A 47 89.711 11.533 4.299 1.00 0.00 N ATOM 730 CA PRO A 47 89.482 10.141 4.781 1.00 0.00 C ATOM 731 C PRO A 47 88.016 9.868 5.121 1.00 0.00 C ATOM 732 O PRO A 47 87.527 8.752 4.940 1.00 0.00 O ATOM 733 CB PRO A 47 90.354 10.015 6.040 1.00 0.00 C ATOM 734 CG PRO A 47 91.035 11.333 6.245 1.00 0.00 C ATOM 735 CD PRO A 47 90.851 12.160 4.976 1.00 0.00 C ATOM 0 HA PRO A 47 89.738 9.416 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.744 9.759 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.088 9.218 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.610 11.852 7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.095 11.186 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.650 13.206 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.745 12.138 4.353 1.00 0.00 H new ATOM 743 N ASP A 48 87.329 10.886 5.628 1.00 0.00 N ATOM 744 CA ASP A 48 85.926 10.740 6.007 1.00 0.00 C ATOM 745 C ASP A 48 85.013 10.787 4.784 1.00 0.00 C ATOM 746 O ASP A 48 84.055 10.020 4.686 1.00 0.00 O ATOM 747 CB ASP A 48 85.536 11.855 6.980 1.00 0.00 C ATOM 748 CG ASP A 48 86.614 12.012 8.050 1.00 0.00 C ATOM 749 OD1 ASP A 48 86.536 11.315 9.049 1.00 0.00 O ATOM 750 OD2 ASP A 48 87.505 12.822 7.851 1.00 0.00 O ATOM 0 H ASP A 48 87.717 11.816 5.786 1.00 0.00 H new ATOM 0 HA ASP A 48 85.804 9.769 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.408 12.793 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.579 11.624 7.447 1.00 0.00 H new ATOM 755 N GLN A 49 85.311 11.695 3.857 1.00 0.00 N ATOM 756 CA GLN A 49 84.504 11.840 2.645 1.00 0.00 C ATOM 757 C GLN A 49 84.562 10.573 1.791 1.00 0.00 C ATOM 758 O GLN A 49 83.728 10.376 0.906 1.00 0.00 O ATOM 759 CB GLN A 49 85.010 13.033 1.827 1.00 0.00 C ATOM 760 CG GLN A 49 84.013 13.358 0.707 1.00 0.00 C ATOM 761 CD GLN A 49 84.575 14.457 -0.187 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.238 15.630 -0.018 1.00 0.00 O ATOM 763 NE2 GLN A 49 85.417 14.147 -1.135 1.00 0.00 N ATOM 0 H GLN A 49 86.100 12.338 3.920 1.00 0.00 H new ATOM 0 HA GLN A 49 83.469 12.008 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.139 13.901 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.987 12.805 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.813 12.464 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.063 13.677 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 49 85.695 13.175 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 49 85.797 14.877 -1.738 1.00 0.00 H new ATOM 772 N GLN A 50 85.548 9.721 2.058 1.00 0.00 N ATOM 773 CA GLN A 50 85.699 8.480 1.302 1.00 0.00 C ATOM 774 C GLN A 50 85.492 7.264 2.202 1.00 0.00 C ATOM 775 O GLN A 50 85.601 7.357 3.426 1.00 0.00 O ATOM 776 CB GLN A 50 87.089 8.420 0.655 1.00 0.00 C ATOM 777 CG GLN A 50 88.173 8.620 1.719 1.00 0.00 C ATOM 778 CD GLN A 50 88.873 7.297 2.001 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.950 7.037 1.466 1.00 0.00 O ATOM 780 NE2 GLN A 50 88.322 6.439 2.814 1.00 0.00 N ATOM 0 H GLN A 50 86.249 9.864 2.785 1.00 0.00 H new ATOM 0 HA GLN A 50 84.939 8.464 0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.227 7.459 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.175 9.189 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.898 9.359 1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.728 9.009 2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 50 87.429 6.657 3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 50 88.784 5.550 3.007 1.00 0.00 H new ATOM 789 N ARG A 51 85.189 6.128 1.578 1.00 0.00 N ATOM 790 CA ARG A 51 84.959 4.884 2.308 1.00 0.00 C ATOM 791 C ARG A 51 85.644 3.723 1.588 1.00 0.00 C ATOM 792 O ARG A 51 86.023 3.850 0.425 1.00 0.00 O ATOM 793 CB ARG A 51 83.451 4.630 2.409 1.00 0.00 C ATOM 794 CG ARG A 51 83.182 3.348 3.201 1.00 0.00 C ATOM 795 CD ARG A 51 81.717 3.322 3.643 1.00 0.00 C ATOM 796 NE ARG A 51 81.631 3.151 5.088 1.00 0.00 N ATOM 797 CZ ARG A 51 81.621 1.942 5.637 1.00 0.00 C ATOM 798 NH1 ARG A 51 80.502 1.281 5.737 1.00 0.00 N ATOM 799 NH2 ARG A 51 82.732 1.415 6.074 1.00 0.00 N ATOM 0 H ARG A 51 85.097 6.044 0.566 1.00 0.00 H new ATOM 0 HA ARG A 51 85.378 4.966 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 51 82.964 5.475 2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.021 4.546 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.404 2.475 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.837 3.301 4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.224 4.249 3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.192 2.509 3.141 1.00 0.00 H new ATOM 0 HE ARG A 51 81.578 3.974 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 51 79.634 1.692 5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 51 80.494 0.352 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 51 83.608 1.932 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 51 82.725 0.486 6.496 1.00 0.00 H new ATOM 813 N LEU A 52 85.810 2.595 2.282 1.00 0.00 N ATOM 814 CA LEU A 52 86.464 1.433 1.682 1.00 0.00 C ATOM 815 C LEU A 52 85.685 0.148 1.960 1.00 0.00 C ATOM 816 O LEU A 52 85.344 -0.153 3.105 1.00 0.00 O ATOM 817 CB LEU A 52 87.887 1.295 2.236 1.00 0.00 C ATOM 818 CG LEU A 52 88.853 2.161 1.417 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.513 3.197 2.328 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.932 1.272 0.790 1.00 0.00 C ATOM 0 H LEU A 52 85.505 2.463 3.246 1.00 0.00 H new ATOM 0 HA LEU A 52 86.497 1.587 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.910 1.599 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.201 0.252 2.200 1.00 0.00 H new ATOM 0 HG LEU A 52 88.299 2.672 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.199 3.811 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 52 88.746 3.832 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 52 90.065 2.688 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.618 1.888 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 52 90.484 0.759 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.463 0.536 0.137 1.00 0.00 H new ATOM 832 N ILE A 53 85.416 -0.606 0.894 1.00 0.00 N ATOM 833 CA ILE A 53 84.685 -1.871 1.001 1.00 0.00 C ATOM 834 C ILE A 53 85.553 -3.012 0.476 1.00 0.00 C ATOM 835 O ILE A 53 86.177 -2.884 -0.577 1.00 0.00 O ATOM 836 CB ILE A 53 83.377 -1.788 0.192 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.261 -1.199 1.066 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.959 -3.187 -0.276 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.602 0.241 1.455 1.00 0.00 C ATOM 0 H ILE A 53 85.694 -0.363 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 53 84.443 -2.060 2.047 1.00 0.00 H new ATOM 0 HB ILE A 53 83.542 -1.148 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.314 -1.224 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.132 -1.805 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.033 -3.118 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.743 -3.610 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.804 -3.829 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 53 81.804 0.649 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.538 0.255 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 53 82.707 0.846 0.554 1.00 0.00 H new ATOM 851 N TRP A 54 85.605 -4.124 1.213 1.00 0.00 N ATOM 852 CA TRP A 54 86.422 -5.261 0.791 1.00 0.00 C ATOM 853 C TRP A 54 85.847 -6.581 1.315 1.00 0.00 C ATOM 854 O TRP A 54 85.427 -6.676 2.467 1.00 0.00 O ATOM 855 CB TRP A 54 87.862 -5.064 1.295 1.00 0.00 C ATOM 856 CG TRP A 54 88.489 -6.382 1.632 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.526 -6.930 2.869 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.168 -7.321 0.748 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.183 -8.144 2.801 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.598 -8.430 1.516 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.451 -7.319 -0.629 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.282 -9.499 0.937 1.00 0.00 C ATOM 863 CZ3 TRP A 54 90.140 -8.393 -1.215 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.555 -9.480 -0.433 1.00 0.00 C ATOM 0 H TRP A 54 85.101 -4.260 2.089 1.00 0.00 H new ATOM 0 HA TRP A 54 86.420 -5.311 -0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.454 -4.558 0.532 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.860 -4.421 2.175 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.110 -6.490 3.763 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.342 -8.754 3.603 1.00 0.00 H new ATOM 0 HE3 TRP A 54 89.136 -6.486 -1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 90.598 -10.335 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 90.351 -8.382 -2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 54 91.086 -10.302 -0.890 1.00 0.00 H new ATOM 875 N ALA A 55 85.852 -7.595 0.449 1.00 0.00 N ATOM 876 CA ALA A 55 85.348 -8.924 0.805 1.00 0.00 C ATOM 877 C ALA A 55 83.879 -8.877 1.230 1.00 0.00 C ATOM 878 O ALA A 55 83.493 -9.479 2.233 1.00 0.00 O ATOM 879 CB ALA A 55 86.197 -9.527 1.931 1.00 0.00 C ATOM 0 H ALA A 55 86.200 -7.522 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 55 85.420 -9.553 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.813 -10.514 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 55 87.232 -9.615 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 55 86.150 -8.881 2.808 1.00 0.00 H new ATOM 885 N GLY A 56 83.064 -8.179 0.443 1.00 0.00 N ATOM 886 CA GLY A 56 81.632 -8.075 0.720 1.00 0.00 C ATOM 887 C GLY A 56 81.347 -7.366 2.043 1.00 0.00 C ATOM 888 O GLY A 56 80.189 -7.109 2.373 1.00 0.00 O ATOM 0 H GLY A 56 83.369 -7.677 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.146 -7.534 -0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.195 -9.073 0.744 1.00 0.00 H new ATOM 892 N LYS A 57 82.398 -7.057 2.798 1.00 0.00 N ATOM 893 CA LYS A 57 82.232 -6.382 4.081 1.00 0.00 C ATOM 894 C LYS A 57 82.935 -5.034 4.072 1.00 0.00 C ATOM 895 O LYS A 57 84.123 -4.942 3.769 1.00 0.00 O ATOM 896 CB LYS A 57 82.796 -7.249 5.210 1.00 0.00 C ATOM 897 CG LYS A 57 82.605 -6.535 6.553 1.00 0.00 C ATOM 898 CD LYS A 57 82.619 -7.564 7.691 1.00 0.00 C ATOM 899 CE LYS A 57 84.042 -7.721 8.233 1.00 0.00 C ATOM 900 NZ LYS A 57 84.064 -8.823 9.236 1.00 0.00 N ATOM 0 H LYS A 57 83.365 -7.261 2.546 1.00 0.00 H new ATOM 0 HA LYS A 57 81.167 -6.222 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 57 82.292 -8.215 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.855 -7.444 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 57 83.398 -5.802 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 57 81.662 -5.989 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.949 -7.245 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 57 82.250 -8.524 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 57 84.732 -7.940 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 57 84.375 -6.789 8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 85.043 -8.991 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.482 -8.558 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 83.683 -9.690 8.807 1.00 0.00 H new ATOM 914 N GLN A 58 82.191 -3.993 4.418 1.00 0.00 N ATOM 915 CA GLN A 58 82.751 -2.649 4.458 1.00 0.00 C ATOM 916 C GLN A 58 83.868 -2.581 5.494 1.00 0.00 C ATOM 917 O GLN A 58 83.683 -2.978 6.645 1.00 0.00 O ATOM 918 CB GLN A 58 81.652 -1.638 4.796 1.00 0.00 C ATOM 919 CG GLN A 58 81.076 -1.936 6.185 1.00 0.00 C ATOM 920 CD GLN A 58 79.570 -1.704 6.185 1.00 0.00 C ATOM 921 OE1 GLN A 58 79.066 -0.888 6.957 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.818 -2.377 5.359 1.00 0.00 N ATOM 0 H GLN A 58 81.205 -4.052 4.673 1.00 0.00 H new ATOM 0 HA GLN A 58 83.165 -2.405 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 58 82.057 -0.626 4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.861 -1.684 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.294 -2.967 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.551 -1.297 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 58 79.239 -3.052 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.809 -2.228 5.351 1.00 0.00 H new ATOM 931 N LEU A 59 85.032 -2.091 5.078 1.00 0.00 N ATOM 932 CA LEU A 59 86.174 -1.991 5.979 1.00 0.00 C ATOM 933 C LEU A 59 85.889 -1.006 7.105 1.00 0.00 C ATOM 934 O LEU A 59 85.728 0.193 6.871 1.00 0.00 O ATOM 935 CB LEU A 59 87.412 -1.546 5.198 1.00 0.00 C ATOM 936 CG LEU A 59 87.888 -2.694 4.302 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.709 -2.134 3.136 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.753 -3.660 5.120 1.00 0.00 C ATOM 0 H LEU A 59 85.208 -1.759 4.130 1.00 0.00 H new ATOM 0 HA LEU A 59 86.356 -2.972 6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.178 -0.670 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.205 -1.255 5.887 1.00 0.00 H new ATOM 0 HG LEU A 59 87.021 -3.226 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 59 89.046 -2.954 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.092 -1.452 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.574 -1.597 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 59 89.091 -4.476 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 59 89.618 -3.128 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 59 88.166 -4.064 5.945 1.00 0.00 H new ATOM 950 N GLU A 60 85.824 -1.527 8.328 1.00 0.00 N ATOM 951 CA GLU A 60 85.553 -0.694 9.493 1.00 0.00 C ATOM 952 C GLU A 60 86.840 -0.077 10.029 1.00 0.00 C ATOM 953 O GLU A 60 87.897 -0.703 10.000 1.00 0.00 O ATOM 954 CB GLU A 60 84.891 -1.534 10.591 1.00 0.00 C ATOM 955 CG GLU A 60 83.682 -0.785 11.159 1.00 0.00 C ATOM 956 CD GLU A 60 84.100 0.597 11.658 1.00 0.00 C ATOM 957 OE1 GLU A 60 84.837 0.658 12.630 1.00 0.00 O ATOM 958 OE2 GLU A 60 83.683 1.573 11.059 1.00 0.00 O ATOM 0 H GLU A 60 85.955 -2.517 8.536 1.00 0.00 H new ATOM 0 HA GLU A 60 84.881 0.109 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 60 84.577 -2.496 10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.608 -1.741 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 60 82.914 -0.685 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.243 -1.357 11.977 1.00 0.00 H new ATOM 965 N ASP A 61 86.736 1.158 10.506 1.00 0.00 N ATOM 966 CA ASP A 61 87.889 1.878 11.049 1.00 0.00 C ATOM 967 C ASP A 61 88.715 0.988 11.981 1.00 0.00 C ATOM 968 O ASP A 61 89.944 1.061 11.992 1.00 0.00 O ATOM 969 CB ASP A 61 87.404 3.108 11.823 1.00 0.00 C ATOM 970 CG ASP A 61 86.463 3.937 10.953 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.946 4.578 10.033 1.00 0.00 O ATOM 972 OD2 ASP A 61 85.272 3.916 11.218 1.00 0.00 O ATOM 0 H ASP A 61 85.863 1.686 10.529 1.00 0.00 H new ATOM 0 HA ASP A 61 88.522 2.181 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.891 2.796 12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 61 88.257 3.714 12.130 1.00 0.00 H new ATOM 977 N GLY A 62 88.029 0.160 12.770 1.00 0.00 N ATOM 978 CA GLY A 62 88.704 -0.729 13.717 1.00 0.00 C ATOM 979 C GLY A 62 89.335 -1.940 13.026 1.00 0.00 C ATOM 980 O GLY A 62 89.956 -2.778 13.680 1.00 0.00 O ATOM 0 H GLY A 62 87.012 0.086 12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.477 -0.172 14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 62 87.988 -1.072 14.464 1.00 0.00 H new ATOM 984 N ARG A 63 89.172 -2.030 11.708 1.00 0.00 N ATOM 985 CA ARG A 63 89.731 -3.149 10.950 1.00 0.00 C ATOM 986 C ARG A 63 91.192 -2.887 10.591 1.00 0.00 C ATOM 987 O ARG A 63 91.595 -1.743 10.379 1.00 0.00 O ATOM 988 CB ARG A 63 88.921 -3.373 9.669 1.00 0.00 C ATOM 989 CG ARG A 63 89.272 -4.737 9.060 1.00 0.00 C ATOM 990 CD ARG A 63 88.027 -5.628 9.035 1.00 0.00 C ATOM 991 NE ARG A 63 87.710 -6.088 10.384 1.00 0.00 N ATOM 992 CZ ARG A 63 86.891 -7.113 10.587 1.00 0.00 C ATOM 993 NH1 ARG A 63 87.346 -8.336 10.532 1.00 0.00 N ATOM 994 NH2 ARG A 63 85.629 -6.899 10.844 1.00 0.00 N ATOM 0 H ARG A 63 88.662 -1.348 11.146 1.00 0.00 H new ATOM 0 HA ARG A 63 89.679 -4.041 11.574 1.00 0.00 H new ATOM 0 HB2 ARG A 63 87.855 -3.327 9.890 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.132 -2.580 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.657 -4.606 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.060 -5.214 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 63 87.183 -5.075 8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.196 -6.484 8.381 1.00 0.00 H new ATOM 0 HE ARG A 63 88.126 -5.613 11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 63 88.332 -8.505 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 63 86.715 -9.122 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.272 -5.944 10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.000 -7.686 11.000 1.00 0.00 H new ATOM 1008 N THR A 64 91.973 -3.962 10.526 1.00 0.00 N ATOM 1009 CA THR A 64 93.391 -3.861 10.190 1.00 0.00 C ATOM 1010 C THR A 64 93.678 -4.570 8.870 1.00 0.00 C ATOM 1011 O THR A 64 92.770 -5.091 8.224 1.00 0.00 O ATOM 1012 CB THR A 64 94.238 -4.489 11.303 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.794 -5.819 11.539 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.101 -3.663 12.587 1.00 0.00 C ATOM 0 H THR A 64 91.648 -4.913 10.701 1.00 0.00 H new ATOM 0 HA THR A 64 93.648 -2.807 10.089 1.00 0.00 H new ATOM 0 HB THR A 64 95.284 -4.503 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.335 -6.223 12.249 1.00 0.00 H new ATOM 0 HG21 THR A 64 94.705 -4.113 13.375 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.445 -2.645 12.403 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.056 -3.643 12.897 1.00 0.00 H new ATOM 1022 N LEU A 65 94.951 -4.580 8.480 1.00 0.00 N ATOM 1023 CA LEU A 65 95.364 -5.228 7.237 1.00 0.00 C ATOM 1024 C LEU A 65 95.778 -6.677 7.503 1.00 0.00 C ATOM 1025 O LEU A 65 95.502 -7.571 6.702 1.00 0.00 O ATOM 1026 CB LEU A 65 96.534 -4.449 6.609 1.00 0.00 C ATOM 1027 CG LEU A 65 96.009 -3.420 5.598 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.178 -2.850 4.792 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.013 -4.078 4.635 1.00 0.00 C ATOM 0 H LEU A 65 95.712 -4.148 9.005 1.00 0.00 H new ATOM 0 HA LEU A 65 94.523 -5.231 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.104 -3.944 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.216 -5.140 6.113 1.00 0.00 H new ATOM 0 HG LEU A 65 95.507 -2.621 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 65 96.804 -2.120 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 65 97.884 -2.366 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.680 -3.657 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.650 -3.336 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.508 -4.885 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.173 -4.481 5.200 1.00 0.00 H new ATOM 1041 N SER A 66 96.452 -6.886 8.630 1.00 0.00 N ATOM 1042 CA SER A 66 96.928 -8.213 9.017 1.00 0.00 C ATOM 1043 C SER A 66 95.770 -9.137 9.389 1.00 0.00 C ATOM 1044 O SER A 66 95.961 -10.341 9.564 1.00 0.00 O ATOM 1045 CB SER A 66 97.887 -8.093 10.203 1.00 0.00 C ATOM 1046 OG SER A 66 98.451 -9.367 10.488 1.00 0.00 O ATOM 0 H SER A 66 96.683 -6.149 9.296 1.00 0.00 H new ATOM 0 HA SER A 66 97.446 -8.646 8.161 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.676 -7.377 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.356 -7.715 11.077 1.00 0.00 H new ATOM 0 HG SER A 66 97.802 -10.068 10.271 1.00 0.00 H new ATOM 1052 N ASP A 67 94.572 -8.571 9.503 1.00 0.00 N ATOM 1053 CA ASP A 67 93.395 -9.364 9.850 1.00 0.00 C ATOM 1054 C ASP A 67 93.266 -10.557 8.901 1.00 0.00 C ATOM 1055 O ASP A 67 93.238 -11.708 9.334 1.00 0.00 O ATOM 1056 CB ASP A 67 92.129 -8.496 9.788 1.00 0.00 C ATOM 1057 CG ASP A 67 91.841 -8.053 8.352 1.00 0.00 C ATOM 1058 OD1 ASP A 67 92.765 -7.619 7.685 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.695 -8.153 7.942 1.00 0.00 O ATOM 0 H ASP A 67 94.390 -7.577 9.362 1.00 0.00 H new ATOM 0 HA ASP A 67 93.512 -9.736 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 67 91.279 -9.057 10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.252 -7.620 10.425 1.00 0.00 H new ATOM 1064 N TYR A 68 93.192 -10.264 7.605 1.00 0.00 N ATOM 1065 CA TYR A 68 93.067 -11.305 6.592 1.00 0.00 C ATOM 1066 C TYR A 68 94.437 -11.669 6.018 1.00 0.00 C ATOM 1067 O TYR A 68 94.536 -12.513 5.127 1.00 0.00 O ATOM 1068 CB TYR A 68 92.142 -10.827 5.466 1.00 0.00 C ATOM 1069 CG TYR A 68 91.128 -11.903 5.155 1.00 0.00 C ATOM 1070 CD1 TYR A 68 91.412 -12.876 4.190 1.00 0.00 C ATOM 1071 CD2 TYR A 68 89.902 -11.928 5.834 1.00 0.00 C ATOM 1072 CE1 TYR A 68 90.473 -13.874 3.903 1.00 0.00 C ATOM 1073 CE2 TYR A 68 88.963 -12.926 5.546 1.00 0.00 C ATOM 1074 CZ TYR A 68 89.249 -13.899 4.581 1.00 0.00 C ATOM 1075 OH TYR A 68 88.324 -14.883 4.297 1.00 0.00 O ATOM 0 H TYR A 68 93.217 -9.315 7.233 1.00 0.00 H new ATOM 0 HA TYR A 68 92.641 -12.193 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.634 -9.909 5.763 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.726 -10.594 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 68 92.356 -12.857 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.682 -11.178 6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 68 90.693 -14.625 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.018 -12.945 6.068 1.00 0.00 H new ATOM 0 HH TYR A 68 87.529 -14.756 4.857 1.00 0.00 H new ATOM 1085 N ASN A 69 95.484 -11.016 6.526 1.00 0.00 N ATOM 1086 CA ASN A 69 96.851 -11.259 6.057 1.00 0.00 C ATOM 1087 C ASN A 69 97.045 -10.657 4.669 1.00 0.00 C ATOM 1088 O ASN A 69 97.753 -11.211 3.825 1.00 0.00 O ATOM 1089 CB ASN A 69 97.157 -12.763 6.026 1.00 0.00 C ATOM 1090 CG ASN A 69 96.660 -13.428 7.307 1.00 0.00 C ATOM 1091 OD1 ASN A 69 97.045 -13.029 8.405 1.00 0.00 O ATOM 1092 ND2 ASN A 69 95.821 -14.426 7.230 1.00 0.00 N ATOM 0 H ASN A 69 95.412 -10.314 7.263 1.00 0.00 H new ATOM 0 HA ASN A 69 97.542 -10.781 6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.679 -13.221 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 69 98.230 -12.921 5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 69 95.484 -14.876 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 69 95.503 -14.756 6.319 1.00 0.00 H new ATOM 1099 N ILE A 70 96.406 -9.513 4.450 1.00 0.00 N ATOM 1100 CA ILE A 70 96.494 -8.817 3.170 1.00 0.00 C ATOM 1101 C ILE A 70 97.946 -8.453 2.857 1.00 0.00 C ATOM 1102 O ILE A 70 98.594 -7.730 3.615 1.00 0.00 O ATOM 1103 CB ILE A 70 95.624 -7.556 3.213 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.150 -7.969 3.336 1.00 0.00 C ATOM 1105 CG2 ILE A 70 95.820 -6.741 1.931 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.334 -6.815 3.923 1.00 0.00 C ATOM 0 H ILE A 70 95.820 -9.047 5.143 1.00 0.00 H new ATOM 0 HA ILE A 70 96.132 -9.475 2.380 1.00 0.00 H new ATOM 0 HB ILE A 70 95.912 -6.946 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.757 -8.243 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.062 -8.849 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.198 -5.847 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.867 -6.451 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 70 95.535 -7.344 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.289 -7.114 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.720 -6.562 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.411 -5.946 3.270 1.00 0.00 H new ATOM 1118 N GLN A 71 98.448 -8.972 1.737 1.00 0.00 N ATOM 1119 CA GLN A 71 99.826 -8.716 1.321 1.00 0.00 C ATOM 1120 C GLN A 71 99.967 -7.308 0.736 1.00 0.00 C ATOM 1121 O GLN A 71 99.167 -6.421 1.032 1.00 0.00 O ATOM 1122 CB GLN A 71 100.251 -9.760 0.279 1.00 0.00 C ATOM 1123 CG GLN A 71 101.584 -10.393 0.692 1.00 0.00 C ATOM 1124 CD GLN A 71 101.349 -11.450 1.767 1.00 0.00 C ATOM 1125 OE1 GLN A 71 101.514 -11.174 2.955 1.00 0.00 O ATOM 1126 NE2 GLN A 71 100.970 -12.650 1.417 1.00 0.00 N ATOM 0 H GLN A 71 97.921 -9.572 1.102 1.00 0.00 H new ATOM 0 HA GLN A 71 100.472 -8.788 2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.485 -10.530 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 71 100.348 -9.291 -0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 71 102.065 -10.845 -0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 71 102.260 -9.625 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 71 100.834 -12.875 0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 71 100.810 -13.362 2.129 1.00 0.00 H new ATOM 1135 N ARG A 72 100.988 -7.117 -0.102 1.00 0.00 N ATOM 1136 CA ARG A 72 101.225 -5.820 -0.731 1.00 0.00 C ATOM 1137 C ARG A 72 100.661 -5.808 -2.149 1.00 0.00 C ATOM 1138 O ARG A 72 100.109 -4.805 -2.597 1.00 0.00 O ATOM 1139 CB ARG A 72 102.725 -5.510 -0.764 1.00 0.00 C ATOM 1140 CG ARG A 72 103.514 -6.772 -1.129 1.00 0.00 C ATOM 1141 CD ARG A 72 104.871 -6.375 -1.715 1.00 0.00 C ATOM 1142 NE ARG A 72 105.668 -7.564 -1.997 1.00 0.00 N ATOM 1143 CZ ARG A 72 105.365 -8.371 -3.010 1.00 0.00 C ATOM 1144 NH1 ARG A 72 105.610 -7.998 -4.237 1.00 0.00 N ATOM 1145 NH2 ARG A 72 104.823 -9.534 -2.775 1.00 0.00 N ATOM 0 H ARG A 72 101.659 -7.841 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 72 100.719 -5.054 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.926 -4.723 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.049 -5.137 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.656 -7.393 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 72 102.955 -7.367 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.726 -5.801 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.402 -5.730 -1.015 1.00 0.00 H new ATOM 0 HE ARG A 72 106.472 -7.780 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.034 -7.088 -4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.378 -8.617 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 72 104.632 -9.823 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 72 104.590 -10.154 -3.551 1.00 0.00 H new ATOM 1159 N GLU A 73 100.796 -6.932 -2.848 1.00 0.00 N ATOM 1160 CA GLU A 73 100.284 -7.038 -4.213 1.00 0.00 C ATOM 1161 C GLU A 73 98.770 -7.248 -4.192 1.00 0.00 C ATOM 1162 O GLU A 73 98.201 -7.846 -5.105 1.00 0.00 O ATOM 1163 CB GLU A 73 100.959 -8.210 -4.935 1.00 0.00 C ATOM 1164 CG GLU A 73 102.480 -8.029 -4.901 1.00 0.00 C ATOM 1165 CD GLU A 73 103.158 -9.171 -5.652 1.00 0.00 C ATOM 1166 OE1 GLU A 73 103.204 -10.264 -5.113 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.626 -8.934 -6.755 1.00 0.00 O ATOM 0 H GLU A 73 101.251 -7.775 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 73 100.507 -6.113 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.684 -9.151 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.612 -8.263 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.751 -7.074 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.829 -8.004 -3.869 1.00 0.00 H new ATOM 1174 N SER A 74 98.130 -6.750 -3.136 1.00 0.00 N ATOM 1175 CA SER A 74 96.686 -6.881 -2.985 1.00 0.00 C ATOM 1176 C SER A 74 95.964 -5.709 -3.643 1.00 0.00 C ATOM 1177 O SER A 74 96.460 -4.579 -3.643 1.00 0.00 O ATOM 1178 CB SER A 74 96.324 -6.940 -1.501 1.00 0.00 C ATOM 1179 OG SER A 74 97.200 -7.843 -0.838 1.00 0.00 O ATOM 0 H SER A 74 98.590 -6.253 -2.374 1.00 0.00 H new ATOM 0 HA SER A 74 96.371 -7.802 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.402 -5.948 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 74 95.290 -7.264 -1.380 1.00 0.00 H new ATOM 0 HG SER A 74 96.678 -8.566 -0.432 1.00 0.00 H new ATOM 1185 N THR A 75 94.784 -5.991 -4.193 1.00 0.00 N ATOM 1186 CA THR A 75 93.981 -4.966 -4.852 1.00 0.00 C ATOM 1187 C THR A 75 92.833 -4.530 -3.944 1.00 0.00 C ATOM 1188 O THR A 75 91.842 -5.245 -3.791 1.00 0.00 O ATOM 1189 CB THR A 75 93.424 -5.508 -6.174 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.470 -6.133 -6.904 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.840 -4.359 -7.001 1.00 0.00 C ATOM 0 H THR A 75 94.364 -6.921 -4.195 1.00 0.00 H new ATOM 0 HA THR A 75 94.614 -4.103 -5.058 1.00 0.00 H new ATOM 0 HB THR A 75 92.638 -6.234 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.116 -6.482 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.446 -4.750 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.037 -3.880 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.621 -3.629 -7.212 1.00 0.00 H new ATOM 1199 N LEU A 76 92.981 -3.352 -3.347 1.00 0.00 N ATOM 1200 CA LEU A 76 91.960 -2.818 -2.454 1.00 0.00 C ATOM 1201 C LEU A 76 90.859 -2.132 -3.253 1.00 0.00 C ATOM 1202 O LEU A 76 91.127 -1.481 -4.263 1.00 0.00 O ATOM 1203 CB LEU A 76 92.590 -1.808 -1.486 1.00 0.00 C ATOM 1204 CG LEU A 76 92.642 -2.401 -0.072 1.00 0.00 C ATOM 1205 CD1 LEU A 76 93.725 -3.483 -0.005 1.00 0.00 C ATOM 1206 CD2 LEU A 76 92.969 -1.293 0.933 1.00 0.00 C ATOM 0 H LEU A 76 93.796 -2.750 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 76 91.527 -3.645 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.596 -1.551 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.010 -0.885 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 76 91.675 -2.842 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 76 93.759 -3.902 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 76 93.495 -4.273 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 76 94.693 -3.045 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.006 -1.713 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.935 -0.853 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.198 -0.523 0.890 1.00 0.00 H new ATOM 1218 N HIS A 77 89.623 -2.272 -2.786 1.00 0.00 N ATOM 1219 CA HIS A 77 88.488 -1.650 -3.454 1.00 0.00 C ATOM 1220 C HIS A 77 87.988 -0.476 -2.620 1.00 0.00 C ATOM 1221 O HIS A 77 87.395 -0.666 -1.556 1.00 0.00 O ATOM 1222 CB HIS A 77 87.359 -2.667 -3.652 1.00 0.00 C ATOM 1223 CG HIS A 77 87.936 -3.984 -4.097 1.00 0.00 C ATOM 1224 ND1 HIS A 77 88.600 -4.131 -5.304 1.00 0.00 N ATOM 1225 CD2 HIS A 77 87.957 -5.222 -3.504 1.00 0.00 C ATOM 1226 CE1 HIS A 77 88.990 -5.415 -5.399 1.00 0.00 C ATOM 1227 NE2 HIS A 77 88.624 -6.124 -4.328 1.00 0.00 N ATOM 0 H HIS A 77 89.383 -2.808 -1.952 1.00 0.00 H new ATOM 0 HA HIS A 77 88.807 -1.292 -4.433 1.00 0.00 H new ATOM 0 HB2 HIS A 77 86.806 -2.797 -2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.651 -2.299 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 77 87.522 -5.460 -2.544 1.00 0.00 H new ATOM 0 HE1 HIS A 77 89.533 -5.823 -6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 77 88.796 -7.114 -4.152 1.00 0.00 H new ATOM 1235 N LEU A 78 88.232 0.737 -3.106 1.00 0.00 N ATOM 1236 CA LEU A 78 87.807 1.940 -2.398 1.00 0.00 C ATOM 1237 C LEU A 78 86.587 2.552 -3.080 1.00 0.00 C ATOM 1238 O LEU A 78 86.486 2.548 -4.307 1.00 0.00 O ATOM 1239 CB LEU A 78 88.953 2.957 -2.374 1.00 0.00 C ATOM 1240 CG LEU A 78 88.488 4.254 -1.698 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.593 4.783 -0.782 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.170 5.306 -2.765 1.00 0.00 C ATOM 0 H LEU A 78 88.720 0.913 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 78 87.540 1.672 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.807 2.543 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.286 3.166 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 78 87.594 4.049 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.259 5.704 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 78 89.820 4.039 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.488 4.984 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.840 6.226 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.064 5.507 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.380 4.935 -3.417 1.00 0.00 H new ATOM 1254 N VAL A 79 85.667 3.074 -2.276 1.00 0.00 N ATOM 1255 CA VAL A 79 84.454 3.689 -2.807 1.00 0.00 C ATOM 1256 C VAL A 79 84.363 5.149 -2.367 1.00 0.00 C ATOM 1257 O VAL A 79 84.786 5.503 -1.266 1.00 0.00 O ATOM 1258 CB VAL A 79 83.224 2.913 -2.320 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.330 1.453 -2.770 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.149 2.963 -0.790 1.00 0.00 C ATOM 0 H VAL A 79 85.737 3.084 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 79 84.489 3.657 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 79 82.327 3.366 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.456 0.901 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.379 1.410 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 79 84.231 1.007 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.273 2.410 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 79 84.048 2.515 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.073 4.000 -0.463 1.00 0.00 H new ATOM 1270 N LEU A 80 83.816 5.994 -3.239 1.00 0.00 N ATOM 1271 CA LEU A 80 83.681 7.418 -2.935 1.00 0.00 C ATOM 1272 C LEU A 80 82.211 7.810 -2.834 1.00 0.00 C ATOM 1273 O LEU A 80 81.383 7.359 -3.626 1.00 0.00 O ATOM 1274 CB LEU A 80 84.357 8.252 -4.027 1.00 0.00 C ATOM 1275 CG LEU A 80 85.866 7.975 -4.033 1.00 0.00 C ATOM 1276 CD1 LEU A 80 86.494 8.587 -5.287 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.507 8.594 -2.787 1.00 0.00 C ATOM 0 H LEU A 80 83.461 5.720 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 80 84.163 7.611 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 80 83.930 8.009 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.173 9.312 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 80 86.035 6.898 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.566 8.390 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.041 8.144 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.323 9.664 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.579 8.396 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.337 9.671 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.062 8.156 -1.893 1.00 0.00 H new ATOM 1289 N ARG A 81 81.897 8.656 -1.855 1.00 0.00 N ATOM 1290 CA ARG A 81 80.523 9.112 -1.651 1.00 0.00 C ATOM 1291 C ARG A 81 80.165 10.204 -2.658 1.00 0.00 C ATOM 1292 O ARG A 81 80.984 10.575 -3.501 1.00 0.00 O ATOM 1293 CB ARG A 81 80.361 9.649 -0.225 1.00 0.00 C ATOM 1294 CG ARG A 81 80.278 8.479 0.764 1.00 0.00 C ATOM 1295 CD ARG A 81 81.633 8.286 1.450 1.00 0.00 C ATOM 1296 NE ARG A 81 81.513 7.339 2.551 1.00 0.00 N ATOM 1297 CZ ARG A 81 81.752 7.710 3.807 1.00 0.00 C ATOM 1298 NH1 ARG A 81 80.824 8.313 4.496 1.00 0.00 N ATOM 1299 NH2 ARG A 81 82.917 7.472 4.346 1.00 0.00 N ATOM 0 H ARG A 81 82.572 9.039 -1.193 1.00 0.00 H new ATOM 0 HA ARG A 81 79.850 8.267 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 81 81.203 10.293 0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 81 79.461 10.260 -0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.507 8.674 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 81 79.992 7.567 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 81 82.365 7.924 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 81 81.999 9.243 1.823 1.00 0.00 H new ATOM 0 HE ARG A 81 81.241 6.375 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 81 79.915 8.500 4.073 1.00 0.00 H new ATOM 0 HH12 ARG A 81 81.007 8.597 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 81 83.643 7.002 3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 81 83.101 7.756 5.308 1.00 0.00 H new ATOM 1422 N ALA A 91 78.259 4.719 -9.390 1.00 0.00 N ATOM 1423 CA ALA A 91 78.413 4.864 -7.947 1.00 0.00 C ATOM 1424 C ALA A 91 78.010 6.269 -7.514 1.00 0.00 C ATOM 1425 O ALA A 91 78.151 7.226 -8.277 1.00 0.00 O ATOM 1426 CB ALA A 91 79.867 4.605 -7.552 1.00 0.00 C ATOM 0 HA ALA A 91 77.768 4.139 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.976 4.715 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.149 3.593 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.514 5.322 -8.057 1.00 0.00 H new ATOM 1432 N ASP A 92 77.512 6.387 -6.288 1.00 0.00 N ATOM 1433 CA ASP A 92 77.096 7.682 -5.767 1.00 0.00 C ATOM 1434 C ASP A 92 77.481 7.816 -4.296 1.00 0.00 C ATOM 1435 O ASP A 92 78.660 7.728 -3.951 1.00 0.00 O ATOM 1436 CB ASP A 92 75.584 7.859 -5.945 1.00 0.00 C ATOM 1437 CG ASP A 92 75.246 7.970 -7.430 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.645 8.952 -8.034 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.599 7.071 -7.941 1.00 0.00 O ATOM 0 H ASP A 92 77.388 5.608 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 92 77.608 8.465 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 92 75.056 7.013 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 92 75.249 8.753 -5.419 1.00 0.00 H new ATOM 1444 N GLU A 93 76.491 8.044 -3.434 1.00 0.00 N ATOM 1445 CA GLU A 93 76.756 8.204 -2.009 1.00 0.00 C ATOM 1446 C GLU A 93 76.478 6.913 -1.248 1.00 0.00 C ATOM 1447 O GLU A 93 77.304 6.468 -0.454 1.00 0.00 O ATOM 1448 CB GLU A 93 75.889 9.333 -1.443 1.00 0.00 C ATOM 1449 CG GLU A 93 76.392 9.725 -0.049 1.00 0.00 C ATOM 1450 CD GLU A 93 76.503 11.243 0.058 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.474 11.886 0.193 1.00 0.00 O ATOM 1452 OE2 GLU A 93 77.615 11.742 0.005 1.00 0.00 O ATOM 0 H GLU A 93 75.508 8.121 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 93 77.810 8.453 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 93 75.921 10.197 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 93 74.849 9.012 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 93 75.709 9.347 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.363 9.267 0.138 1.00 0.00 H new ATOM 1459 N GLU A 94 75.305 6.327 -1.478 1.00 0.00 N ATOM 1460 CA GLU A 94 74.928 5.092 -0.790 1.00 0.00 C ATOM 1461 C GLU A 94 75.223 3.865 -1.654 1.00 0.00 C ATOM 1462 O GLU A 94 75.808 2.893 -1.179 1.00 0.00 O ATOM 1463 CB GLU A 94 73.438 5.123 -0.427 1.00 0.00 C ATOM 1464 CG GLU A 94 72.625 5.730 -1.578 1.00 0.00 C ATOM 1465 CD GLU A 94 71.377 4.892 -1.835 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.490 3.889 -2.521 1.00 0.00 O ATOM 1467 OE2 GLU A 94 70.325 5.266 -1.342 1.00 0.00 O ATOM 0 H GLU A 94 74.604 6.682 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 94 75.522 5.021 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.086 4.113 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.289 5.708 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.341 6.754 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 94 73.235 5.775 -2.480 1.00 0.00 H new ATOM 1474 N GLU A 95 74.801 3.914 -2.917 1.00 0.00 N ATOM 1475 CA GLU A 95 75.014 2.794 -3.836 1.00 0.00 C ATOM 1476 C GLU A 95 76.462 2.319 -3.791 1.00 0.00 C ATOM 1477 O GLU A 95 76.726 1.120 -3.777 1.00 0.00 O ATOM 1478 CB GLU A 95 74.669 3.193 -5.277 1.00 0.00 C ATOM 1479 CG GLU A 95 73.716 4.388 -5.286 1.00 0.00 C ATOM 1480 CD GLU A 95 73.071 4.541 -6.662 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.772 4.371 -7.647 1.00 0.00 O ATOM 1482 OE2 GLU A 95 71.886 4.825 -6.711 1.00 0.00 O ATOM 0 H GLU A 95 74.313 4.711 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 95 74.357 1.985 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 95 75.581 3.443 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 95 74.210 2.350 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 95 72.944 4.252 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 95 74.259 5.297 -5.028 1.00 0.00 H new ATOM 1489 N LEU A 96 77.389 3.276 -3.805 1.00 0.00 N ATOM 1490 CA LEU A 96 78.824 2.985 -3.804 1.00 0.00 C ATOM 1491 C LEU A 96 79.185 1.734 -2.987 1.00 0.00 C ATOM 1492 O LEU A 96 80.177 1.069 -3.285 1.00 0.00 O ATOM 1493 CB LEU A 96 79.587 4.215 -3.274 1.00 0.00 C ATOM 1494 CG LEU A 96 79.913 4.069 -1.778 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.816 5.225 -1.341 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.621 4.105 -0.956 1.00 0.00 C ATOM 0 H LEU A 96 77.169 4.272 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 96 79.118 2.770 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.510 4.344 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.989 5.112 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 96 80.420 3.118 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 96 81.049 5.124 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.740 5.204 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.303 6.172 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.860 4.001 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 96 78.111 5.054 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.971 3.286 -1.263 1.00 0.00 H new ATOM 1508 N ILE A 97 78.391 1.418 -1.968 1.00 0.00 N ATOM 1509 CA ILE A 97 78.665 0.245 -1.141 1.00 0.00 C ATOM 1510 C ILE A 97 78.135 -1.021 -1.811 1.00 0.00 C ATOM 1511 O ILE A 97 78.903 -1.936 -2.110 1.00 0.00 O ATOM 1512 CB ILE A 97 78.044 0.424 0.253 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.037 1.174 1.149 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.736 -0.944 0.877 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.286 2.163 2.038 1.00 0.00 C ATOM 0 H ILE A 97 77.563 1.949 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 97 79.744 0.141 -1.029 1.00 0.00 H new ATOM 0 HB ILE A 97 77.117 0.989 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.592 0.466 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.766 1.703 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.296 -0.803 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.034 -1.484 0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.658 -1.518 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 97 78.996 2.693 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.751 2.879 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.574 1.623 2.662 1.00 0.00 H new ATOM 1527 N ARG A 98 76.827 -1.063 -2.063 1.00 0.00 N ATOM 1528 CA ARG A 98 76.227 -2.224 -2.718 1.00 0.00 C ATOM 1529 C ARG A 98 76.778 -2.358 -4.132 1.00 0.00 C ATOM 1530 O ARG A 98 76.854 -3.456 -4.683 1.00 0.00 O ATOM 1531 CB ARG A 98 74.703 -2.078 -2.771 1.00 0.00 C ATOM 1532 CG ARG A 98 74.332 -0.750 -3.439 1.00 0.00 C ATOM 1533 CD ARG A 98 72.816 -0.677 -3.635 1.00 0.00 C ATOM 1534 NE ARG A 98 72.137 -0.642 -2.344 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.347 -1.637 -1.955 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.139 -1.738 -2.438 1.00 0.00 N ATOM 1537 NH2 ARG A 98 71.778 -2.514 -1.091 1.00 0.00 N ATOM 0 H ARG A 98 76.171 -0.318 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 98 76.475 -3.117 -2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 98 74.268 -2.909 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.289 -2.117 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.669 0.084 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.837 -0.662 -4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.560 0.212 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.475 -1.539 -4.209 1.00 0.00 H new ATOM 0 HE ARG A 98 72.271 0.161 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 98 69.801 -1.053 -3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.533 -2.502 -2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 98 72.722 -2.436 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 98 71.171 -3.277 -0.793 1.00 0.00 H new ATOM 1551 N LYS A 99 77.168 -1.222 -4.701 1.00 0.00 N ATOM 1552 CA LYS A 99 77.726 -1.189 -6.046 1.00 0.00 C ATOM 1553 C LYS A 99 79.094 -1.850 -6.062 1.00 0.00 C ATOM 1554 O LYS A 99 79.395 -2.647 -6.941 1.00 0.00 O ATOM 1555 CB LYS A 99 77.870 0.262 -6.517 1.00 0.00 C ATOM 1556 CG LYS A 99 76.487 0.881 -6.731 1.00 0.00 C ATOM 1557 CD LYS A 99 75.930 0.450 -8.088 1.00 0.00 C ATOM 1558 CE LYS A 99 76.620 1.236 -9.208 1.00 0.00 C ATOM 1559 NZ LYS A 99 75.610 1.642 -10.225 1.00 0.00 N ATOM 0 H LYS A 99 77.107 -0.310 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 99 77.053 -1.728 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 99 78.426 0.840 -5.778 1.00 0.00 H new ATOM 0 HB3 LYS A 99 78.441 0.297 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.812 0.568 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.554 1.968 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.087 -0.619 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.854 0.622 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 99 77.113 2.117 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.394 0.625 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 76.078 2.175 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 75.159 0.794 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.887 2.240 -9.777 1.00 0.00 H new ATOM 1573 N ALA A 100 79.906 -1.520 -5.065 1.00 0.00 N ATOM 1574 CA ALA A 100 81.243 -2.080 -4.948 1.00 0.00 C ATOM 1575 C ALA A 100 81.176 -3.538 -4.517 1.00 0.00 C ATOM 1576 O ALA A 100 82.098 -4.314 -4.772 1.00 0.00 O ATOM 1577 CB ALA A 100 82.044 -1.271 -3.927 1.00 0.00 C ATOM 0 H ALA A 100 79.659 -0.864 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 100 81.734 -2.031 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 100 83.047 -1.689 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 100 82.111 -0.234 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.546 -1.313 -2.958 1.00 0.00 H new ATOM 1583 N ILE A 101 80.068 -3.907 -3.885 1.00 0.00 N ATOM 1584 CA ILE A 101 79.878 -5.281 -3.449 1.00 0.00 C ATOM 1585 C ILE A 101 79.459 -6.127 -4.646 1.00 0.00 C ATOM 1586 O ILE A 101 79.820 -7.295 -4.753 1.00 0.00 O ATOM 1587 CB ILE A 101 78.817 -5.341 -2.340 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.420 -4.781 -1.044 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.380 -6.794 -2.114 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.305 -4.363 -0.083 1.00 0.00 C ATOM 0 H ILE A 101 79.295 -3.279 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 101 80.811 -5.673 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 101 77.949 -4.750 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.053 -5.533 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.056 -3.925 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.627 -6.829 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.959 -7.195 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.242 -7.392 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.744 -3.967 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.689 -3.595 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.687 -5.228 0.155 1.00 0.00 H new ATOM 1602 N GLU A 102 78.696 -5.516 -5.547 1.00 0.00 N ATOM 1603 CA GLU A 102 78.229 -6.206 -6.745 1.00 0.00 C ATOM 1604 C GLU A 102 79.173 -5.971 -7.929 1.00 0.00 C ATOM 1605 O GLU A 102 79.042 -6.625 -8.965 1.00 0.00 O ATOM 1606 CB GLU A 102 76.825 -5.713 -7.113 1.00 0.00 C ATOM 1607 CG GLU A 102 75.805 -6.833 -6.886 1.00 0.00 C ATOM 1608 CD GLU A 102 75.736 -7.204 -5.404 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.836 -6.309 -4.578 1.00 0.00 O ATOM 1610 OE2 GLU A 102 75.582 -8.380 -5.118 1.00 0.00 O ATOM 0 H GLU A 102 78.388 -4.546 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 102 78.206 -7.274 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.565 -4.844 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.803 -5.395 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.822 -6.513 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.081 -7.709 -7.473 1.00 0.00 H new ATOM 1617 N LEU A 103 80.096 -5.013 -7.792 1.00 0.00 N ATOM 1618 CA LEU A 103 81.013 -4.687 -8.890 1.00 0.00 C ATOM 1619 C LEU A 103 82.345 -5.440 -8.803 1.00 0.00 C ATOM 1620 O LEU A 103 82.610 -6.336 -9.605 1.00 0.00 O ATOM 1621 CB LEU A 103 81.297 -3.177 -8.875 1.00 0.00 C ATOM 1622 CG LEU A 103 80.172 -2.420 -9.590 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.343 -0.916 -9.361 1.00 0.00 C ATOM 1624 CD2 LEU A 103 80.224 -2.713 -11.094 1.00 0.00 C ATOM 0 H LEU A 103 80.227 -4.458 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 103 80.526 -4.993 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.385 -2.826 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 103 82.250 -2.974 -9.364 1.00 0.00 H new ATOM 0 HG LEU A 103 79.211 -2.745 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 103 79.543 -0.377 -9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 103 80.302 -0.704 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 103 81.306 -0.595 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 103 79.423 -2.173 -11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 103 81.186 -2.392 -11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 103 80.101 -3.783 -11.261 1.00 0.00 H new ATOM 1636 N SER A 104 83.198 -5.034 -7.864 1.00 0.00 N ATOM 1637 CA SER A 104 84.527 -5.641 -7.725 1.00 0.00 C ATOM 1638 C SER A 104 84.545 -6.823 -6.761 1.00 0.00 C ATOM 1639 O SER A 104 85.538 -7.550 -6.693 1.00 0.00 O ATOM 1640 CB SER A 104 85.520 -4.584 -7.237 1.00 0.00 C ATOM 1641 OG SER A 104 85.113 -4.108 -5.960 1.00 0.00 O ATOM 0 H SER A 104 82.998 -4.294 -7.192 1.00 0.00 H new ATOM 0 HA SER A 104 84.808 -6.019 -8.708 1.00 0.00 H new ATOM 0 HB2 SER A 104 86.521 -5.010 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 104 85.568 -3.758 -7.947 1.00 0.00 H new ATOM 0 HG SER A 104 85.256 -3.140 -5.911 1.00 0.00 H new ATOM 1647 N LEU A 105 83.470 -7.013 -6.009 1.00 0.00 N ATOM 1648 CA LEU A 105 83.421 -8.112 -5.048 1.00 0.00 C ATOM 1649 C LEU A 105 82.971 -9.414 -5.713 1.00 0.00 C ATOM 1650 O LEU A 105 83.411 -10.497 -5.325 1.00 0.00 O ATOM 1651 CB LEU A 105 82.474 -7.749 -3.902 1.00 0.00 C ATOM 1652 CG LEU A 105 83.121 -8.083 -2.554 1.00 0.00 C ATOM 1653 CD1 LEU A 105 83.448 -9.578 -2.491 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.407 -7.263 -2.378 1.00 0.00 C ATOM 0 H LEU A 105 82.632 -6.433 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 105 84.425 -8.270 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.231 -6.687 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.537 -8.295 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 105 82.425 -7.835 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.908 -9.810 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 105 82.531 -10.156 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.138 -9.834 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.864 -7.504 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.104 -7.502 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.168 -6.200 -2.410 1.00 0.00 H new