USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 720 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 85 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 87 THR OG1 : rot 170:sc= 0.94 USER MOD Set 2.1: A 78 SER OG : rot 25:sc= 0.13 USER MOD Set 2.2: A 82 TYR OH : rot 156:sc= 1.28 USER MOD Set 3.1: A 52 ASN : amide:sc= -1.41 X(o=-1.5,f=-1.6) USER MOD Set 3.2: A 66 GLN : amide:sc= -0.0537 X(o=-1.5,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00723) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.39) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.576 K(o=-0.58,f=-3.9!) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0505 (180deg=-0.256) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 36:sc= 0.219 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-2.4) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 141:sc= -0.198 (180deg=-1.63!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.083) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.2) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 73 ASN : amide:sc= -0.205 X(o=-0.2,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 92 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.95) USER MOD Single : A 100 ASN : amide:sc= -0.678 K(o=-0.68,f=-6.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.616 1.886 7.999 1.00 0.00 N ATOM 119 CA VAL A 11 -20.258 2.040 6.594 1.00 0.00 C ATOM 120 C VAL A 11 -20.000 0.687 5.941 1.00 0.00 C ATOM 121 O VAL A 11 -19.894 -0.334 6.622 1.00 0.00 O ATOM 122 CB VAL A 11 -19.008 2.925 6.427 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.264 4.320 6.977 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.808 2.285 7.111 1.00 0.00 C ATOM 0 HA VAL A 11 -21.104 2.522 6.103 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.787 3.015 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.370 4.931 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.095 4.777 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.511 4.254 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.933 2.923 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.017 2.164 8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.613 1.309 6.666 1.00 0.00 H new ATOM 134 N LYS A 12 -19.899 0.685 4.616 1.00 0.00 N ATOM 135 CA LYS A 12 -19.651 -0.543 3.869 1.00 0.00 C ATOM 136 C LYS A 12 -18.237 -1.057 4.121 1.00 0.00 C ATOM 137 O LYS A 12 -17.257 -0.371 3.830 1.00 0.00 O ATOM 138 CB LYS A 12 -19.859 -0.304 2.372 1.00 0.00 C ATOM 139 CG LYS A 12 -21.295 -0.502 1.919 1.00 0.00 C ATOM 140 CD LYS A 12 -21.436 -0.320 0.417 1.00 0.00 C ATOM 141 CE LYS A 12 -21.151 -1.613 -0.331 1.00 0.00 C ATOM 142 NZ LYS A 12 -22.299 -2.559 -0.261 1.00 0.00 N ATOM 0 H LYS A 12 -19.985 1.520 4.037 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.359 -1.297 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.546 0.711 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.213 -0.980 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.631 -1.500 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.941 0.208 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.445 0.021 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.750 0.456 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.929 -1.388 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.264 -2.087 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.107 -3.383 -0.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.430 -2.873 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.162 -2.082 -0.590 1.00 0.00 H new ATOM 156 N GLU A 13 -18.139 -2.267 4.662 1.00 0.00 N ATOM 157 CA GLU A 13 -16.844 -2.872 4.951 1.00 0.00 C ATOM 158 C GLU A 13 -16.134 -3.278 3.663 1.00 0.00 C ATOM 159 O GLU A 13 -16.676 -4.031 2.853 1.00 0.00 O ATOM 160 CB GLU A 13 -17.018 -4.092 5.858 1.00 0.00 C ATOM 161 CG GLU A 13 -17.846 -5.202 5.233 1.00 0.00 C ATOM 162 CD GLU A 13 -18.167 -6.314 6.213 1.00 0.00 C ATOM 163 OE1 GLU A 13 -18.993 -6.083 7.121 1.00 0.00 O ATOM 164 OE2 GLU A 13 -17.591 -7.413 6.074 1.00 0.00 O ATOM 0 H GLU A 13 -18.940 -2.848 4.909 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.231 -2.131 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.035 -4.485 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.490 -3.778 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.776 -4.783 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.306 -5.618 4.382 1.00 0.00 H new ATOM 171 N LEU A 14 -14.918 -2.774 3.481 1.00 0.00 N ATOM 172 CA LEU A 14 -14.132 -3.083 2.291 1.00 0.00 C ATOM 173 C LEU A 14 -12.921 -3.940 2.647 1.00 0.00 C ATOM 174 O LEU A 14 -12.257 -3.707 3.657 1.00 0.00 O ATOM 175 CB LEU A 14 -13.676 -1.793 1.608 1.00 0.00 C ATOM 176 CG LEU A 14 -14.780 -0.798 1.247 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.179 0.509 0.754 1.00 0.00 C ATOM 178 CD2 LEU A 14 -15.709 -1.390 0.197 1.00 0.00 C ATOM 0 H LEU A 14 -14.455 -2.150 4.142 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.763 -3.646 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.963 -1.292 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.141 -2.058 0.696 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.364 -0.590 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.979 1.205 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.556 0.941 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.571 0.319 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.488 -0.668 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.139 -1.627 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.166 -2.299 0.587 1.00 0.00 H new ATOM 190 N THR A 15 -12.637 -4.931 1.808 1.00 0.00 N ATOM 191 CA THR A 15 -11.506 -5.822 2.032 1.00 0.00 C ATOM 192 C THR A 15 -10.251 -5.303 1.338 1.00 0.00 C ATOM 193 O THR A 15 -10.021 -5.582 0.161 1.00 0.00 O ATOM 194 CB THR A 15 -11.804 -7.247 1.530 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.001 -7.741 2.140 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.647 -8.184 1.840 1.00 0.00 C ATOM 0 H THR A 15 -13.175 -5.137 0.966 1.00 0.00 H new ATOM 0 HA THR A 15 -11.337 -5.852 3.108 1.00 0.00 H new ATOM 0 HB THR A 15 -11.938 -7.206 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.184 -8.647 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.881 -9.184 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.744 -7.821 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.486 -8.219 2.917 1.00 0.00 H new ATOM 204 N VAL A 16 -9.443 -4.547 2.074 1.00 0.00 N ATOM 205 CA VAL A 16 -8.210 -3.991 1.529 1.00 0.00 C ATOM 206 C VAL A 16 -7.040 -4.947 1.730 1.00 0.00 C ATOM 207 O VAL A 16 -6.720 -5.325 2.857 1.00 0.00 O ATOM 208 CB VAL A 16 -7.870 -2.637 2.180 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.566 -2.088 1.621 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.007 -1.647 1.973 1.00 0.00 C ATOM 0 H VAL A 16 -9.620 -4.305 3.049 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.374 -3.842 0.462 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.742 -2.790 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.342 -1.131 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.758 -2.791 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.662 -1.948 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.750 -0.696 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.168 -1.496 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.918 -2.039 2.426 1.00 0.00 H new ATOM 220 N SER A 17 -6.403 -5.334 0.629 1.00 0.00 N ATOM 221 CA SER A 17 -5.269 -6.249 0.684 1.00 0.00 C ATOM 222 C SER A 17 -4.188 -5.833 -0.309 1.00 0.00 C ATOM 223 O SER A 17 -4.469 -5.577 -1.479 1.00 0.00 O ATOM 224 CB SER A 17 -5.726 -7.679 0.389 1.00 0.00 C ATOM 225 OG SER A 17 -4.691 -8.610 0.652 1.00 0.00 O ATOM 0 H SER A 17 -6.653 -5.028 -0.311 1.00 0.00 H new ATOM 0 HA SER A 17 -4.849 -6.210 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.598 -7.918 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.034 -7.758 -0.654 1.00 0.00 H new ATOM 0 HG SER A 17 -5.009 -9.516 0.457 1.00 0.00 H new ATOM 231 N ALA A 18 -2.949 -5.768 0.168 1.00 0.00 N ATOM 232 CA ALA A 18 -1.824 -5.386 -0.676 1.00 0.00 C ATOM 233 C ALA A 18 -1.323 -6.572 -1.494 1.00 0.00 C ATOM 234 O ALA A 18 -0.981 -6.429 -2.667 1.00 0.00 O ATOM 235 CB ALA A 18 -0.698 -4.814 0.172 1.00 0.00 C ATOM 0 H ALA A 18 -2.699 -5.975 1.135 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.167 -4.619 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.136 -4.533 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.056 -3.934 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.366 -5.564 0.889 1.00 0.00 H new ATOM 241 N GLY A 19 -1.283 -7.743 -0.865 1.00 0.00 N ATOM 242 CA GLY A 19 -0.822 -8.937 -1.550 1.00 0.00 C ATOM 243 C GLY A 19 -0.020 -9.851 -0.645 1.00 0.00 C ATOM 244 O GLY A 19 -0.517 -10.884 -0.198 1.00 0.00 O ATOM 0 H GLY A 19 -1.561 -7.886 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.681 -9.482 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.210 -8.649 -2.405 1.00 0.00 H new ATOM 248 N ASP A 20 1.225 -9.471 -0.377 1.00 0.00 N ATOM 249 CA ASP A 20 2.098 -10.265 0.480 1.00 0.00 C ATOM 250 C ASP A 20 3.384 -9.507 0.796 1.00 0.00 C ATOM 251 O ASP A 20 3.608 -8.407 0.292 1.00 0.00 O ATOM 252 CB ASP A 20 2.428 -11.600 -0.189 1.00 0.00 C ATOM 253 CG ASP A 20 2.996 -12.612 0.787 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.509 -12.665 1.936 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.928 -13.349 0.403 1.00 0.00 O ATOM 0 H ASP A 20 1.652 -8.619 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 20 1.572 -10.457 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.526 -12.007 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.145 -11.433 -0.993 1.00 0.00 H new ATOM 260 N ASN A 21 4.226 -10.104 1.633 1.00 0.00 N ATOM 261 CA ASN A 21 5.489 -9.485 2.017 1.00 0.00 C ATOM 262 C ASN A 21 6.438 -9.400 0.825 1.00 0.00 C ATOM 263 O ASN A 21 6.588 -10.359 0.068 1.00 0.00 O ATOM 264 CB ASN A 21 6.146 -10.277 3.150 1.00 0.00 C ATOM 265 CG ASN A 21 6.927 -11.474 2.642 1.00 0.00 C ATOM 266 OD1 ASN A 21 8.116 -11.370 2.342 1.00 0.00 O ATOM 267 ND2 ASN A 21 6.259 -12.617 2.543 1.00 0.00 N ATOM 0 H ASN A 21 4.057 -11.016 2.058 1.00 0.00 H new ATOM 0 HA ASN A 21 5.278 -8.474 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.814 -9.621 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.378 -10.616 3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.731 -13.456 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.274 -12.656 2.803 1.00 0.00 H new ATOM 274 N LEU A 22 7.076 -8.246 0.666 1.00 0.00 N ATOM 275 CA LEU A 22 8.011 -8.034 -0.434 1.00 0.00 C ATOM 276 C LEU A 22 9.431 -7.837 0.089 1.00 0.00 C ATOM 277 O LEU A 22 9.645 -7.143 1.083 1.00 0.00 O ATOM 278 CB LEU A 22 7.588 -6.821 -1.264 1.00 0.00 C ATOM 279 CG LEU A 22 6.141 -6.819 -1.759 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.728 -8.212 -2.208 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.207 -6.307 -0.672 1.00 0.00 C ATOM 0 H LEU A 22 6.963 -7.443 1.284 1.00 0.00 H new ATOM 0 HA LEU A 22 7.996 -8.921 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.748 -5.923 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.247 -6.750 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 22 6.071 -6.149 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.696 -8.191 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.378 -8.541 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.814 -8.905 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.181 -6.312 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.281 -6.951 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.489 -5.290 -0.399 1.00 0.00 H new ATOM 293 N ILE A 23 10.396 -8.450 -0.588 1.00 0.00 N ATOM 294 CA ILE A 23 11.794 -8.338 -0.194 1.00 0.00 C ATOM 295 C ILE A 23 12.683 -8.043 -1.398 1.00 0.00 C ATOM 296 O ILE A 23 12.678 -8.783 -2.382 1.00 0.00 O ATOM 297 CB ILE A 23 12.290 -9.624 0.493 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.392 -9.972 1.682 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.734 -9.462 0.942 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.728 -11.299 2.326 1.00 0.00 C ATOM 0 H ILE A 23 10.235 -9.029 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 23 11.857 -7.511 0.513 1.00 0.00 H new ATOM 0 HB ILE A 23 12.244 -10.443 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.472 -9.184 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.354 -9.991 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.070 -10.379 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.363 -9.257 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.805 -8.633 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.051 -11.480 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.620 -12.097 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.755 -11.277 2.690 1.00 0.00 H new ATOM 312 N ILE A 24 13.446 -6.959 -1.311 1.00 0.00 N ATOM 313 CA ILE A 24 14.343 -6.568 -2.392 1.00 0.00 C ATOM 314 C ILE A 24 15.802 -6.736 -1.983 1.00 0.00 C ATOM 315 O ILE A 24 16.124 -6.799 -0.796 1.00 0.00 O ATOM 316 CB ILE A 24 14.106 -5.108 -2.819 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.610 -4.280 -1.632 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.110 -5.047 -3.968 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.210 -2.869 -2.004 1.00 0.00 C ATOM 0 H ILE A 24 13.461 -6.336 -0.504 1.00 0.00 H new ATOM 0 HA ILE A 24 14.127 -7.224 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 24 15.052 -4.687 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.756 -4.784 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.393 -4.239 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.953 -4.008 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.500 -5.607 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.162 -5.483 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.869 -2.341 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.068 -2.348 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.405 -2.901 -2.738 1.00 0.00 H new ATOM 331 N THR A 25 16.685 -6.807 -2.975 1.00 0.00 N ATOM 332 CA THR A 25 18.111 -6.967 -2.720 1.00 0.00 C ATOM 333 C THR A 25 18.921 -5.889 -3.432 1.00 0.00 C ATOM 334 O THR A 25 18.858 -5.757 -4.655 1.00 0.00 O ATOM 335 CB THR A 25 18.610 -8.352 -3.173 1.00 0.00 C ATOM 336 OG1 THR A 25 17.751 -9.375 -2.658 1.00 0.00 O ATOM 337 CG2 THR A 25 20.036 -8.594 -2.700 1.00 0.00 C ATOM 0 H THR A 25 16.437 -6.756 -3.963 1.00 0.00 H new ATOM 0 HA THR A 25 18.253 -6.872 -1.643 1.00 0.00 H new ATOM 0 HB THR A 25 18.595 -8.381 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.074 -10.252 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.367 -9.578 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.692 -7.831 -3.118 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.071 -8.547 -1.612 1.00 0.00 H new ATOM 345 N LEU A 26 19.681 -5.121 -2.660 1.00 0.00 N ATOM 346 CA LEU A 26 20.506 -4.054 -3.217 1.00 0.00 C ATOM 347 C LEU A 26 21.293 -4.549 -4.426 1.00 0.00 C ATOM 348 O LEU A 26 21.564 -5.741 -4.576 1.00 0.00 O ATOM 349 CB LEU A 26 21.466 -3.517 -2.154 1.00 0.00 C ATOM 350 CG LEU A 26 20.846 -2.624 -1.079 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.916 -2.112 -0.128 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.097 -1.463 -1.717 1.00 0.00 C ATOM 0 H LEU A 26 19.743 -5.217 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 26 19.846 -3.249 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.943 -4.365 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.254 -2.954 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 26 20.134 -3.219 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.456 -1.478 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.408 -2.956 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.652 -1.534 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.662 -0.838 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.788 -0.869 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.303 -1.849 -2.357 1.00 0.00 H new ATOM 364 N PRO A 27 21.671 -3.614 -5.310 1.00 0.00 N ATOM 365 CA PRO A 27 21.353 -2.193 -5.143 1.00 0.00 C ATOM 366 C PRO A 27 19.867 -1.905 -5.326 1.00 0.00 C ATOM 367 O PRO A 27 19.362 -0.881 -4.867 1.00 0.00 O ATOM 368 CB PRO A 27 22.169 -1.515 -6.246 1.00 0.00 C ATOM 369 CG PRO A 27 22.351 -2.568 -7.284 1.00 0.00 C ATOM 370 CD PRO A 27 22.437 -3.872 -6.541 1.00 0.00 C ATOM 0 HA PRO A 27 21.589 -1.838 -4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.646 -0.648 -6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.128 -1.161 -5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.517 -2.573 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.255 -2.390 -7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.008 -4.692 -7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.470 -4.143 -6.322 1.00 0.00 H new ATOM 378 N ASP A 28 19.172 -2.815 -5.999 1.00 0.00 N ATOM 379 CA ASP A 28 17.742 -2.660 -6.242 1.00 0.00 C ATOM 380 C ASP A 28 17.028 -2.169 -4.987 1.00 0.00 C ATOM 381 O ASP A 28 16.798 -2.934 -4.052 1.00 0.00 O ATOM 382 CB ASP A 28 17.135 -3.986 -6.704 1.00 0.00 C ATOM 383 CG ASP A 28 17.235 -4.177 -8.204 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.283 -4.671 -8.670 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.266 -3.832 -8.913 1.00 0.00 O ATOM 0 H ASP A 28 19.575 -3.668 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 28 17.610 -1.916 -7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.643 -4.809 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.088 -4.027 -6.405 1.00 0.00 H new ATOM 390 N ASN A 29 16.681 -0.886 -4.973 1.00 0.00 N ATOM 391 CA ASN A 29 15.995 -0.292 -3.832 1.00 0.00 C ATOM 392 C ASN A 29 14.645 0.285 -4.249 1.00 0.00 C ATOM 393 O ASN A 29 14.150 1.233 -3.641 1.00 0.00 O ATOM 394 CB ASN A 29 16.858 0.805 -3.205 1.00 0.00 C ATOM 395 CG ASN A 29 17.288 1.851 -4.215 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.532 2.203 -5.120 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.509 2.352 -4.065 1.00 0.00 N ATOM 0 H ASN A 29 16.864 -0.238 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 29 15.824 -1.076 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.301 1.287 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.742 0.355 -2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.854 3.058 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.102 2.031 -3.300 1.00 0.00 H new ATOM 404 N GLU A 30 14.056 -0.296 -5.289 1.00 0.00 N ATOM 405 CA GLU A 30 12.763 0.161 -5.787 1.00 0.00 C ATOM 406 C GLU A 30 11.742 -0.973 -5.770 1.00 0.00 C ATOM 407 O GLU A 30 12.033 -2.092 -6.194 1.00 0.00 O ATOM 408 CB GLU A 30 12.905 0.713 -7.207 1.00 0.00 C ATOM 409 CG GLU A 30 13.972 1.787 -7.339 1.00 0.00 C ATOM 410 CD GLU A 30 13.956 2.461 -8.697 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.502 1.878 -9.656 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.396 3.573 -8.800 1.00 0.00 O ATOM 0 H GLU A 30 14.452 -1.083 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 30 12.409 0.955 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.141 -0.107 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.947 1.124 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.824 2.538 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.953 1.342 -7.170 1.00 0.00 H new ATOM 419 N VAL A 31 10.544 -0.676 -5.276 1.00 0.00 N ATOM 420 CA VAL A 31 9.479 -1.669 -5.203 1.00 0.00 C ATOM 421 C VAL A 31 8.124 -1.044 -5.515 1.00 0.00 C ATOM 422 O VAL A 31 7.843 0.085 -5.114 1.00 0.00 O ATOM 423 CB VAL A 31 9.421 -2.328 -3.812 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.422 -1.271 -2.719 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.196 -3.223 -3.699 1.00 0.00 C ATOM 0 H VAL A 31 10.287 0.245 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 31 9.704 -2.432 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 31 10.309 -2.947 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.381 -1.756 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.332 -0.675 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.554 -0.623 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.170 -3.681 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.295 -2.627 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.244 -4.003 -4.459 1.00 0.00 H new ATOM 435 N GLU A 32 7.287 -1.788 -6.232 1.00 0.00 N ATOM 436 CA GLU A 32 5.960 -1.306 -6.597 1.00 0.00 C ATOM 437 C GLU A 32 4.874 -2.131 -5.912 1.00 0.00 C ATOM 438 O GLU A 32 4.653 -3.294 -6.254 1.00 0.00 O ATOM 439 CB GLU A 32 5.774 -1.358 -8.115 1.00 0.00 C ATOM 440 CG GLU A 32 4.346 -1.097 -8.563 1.00 0.00 C ATOM 441 CD GLU A 32 4.270 -0.502 -9.955 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.045 -0.940 -10.831 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.435 0.402 -10.169 1.00 0.00 O ATOM 0 H GLU A 32 7.504 -2.725 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 32 5.872 -0.272 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.431 -0.622 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.086 -2.337 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.786 -2.032 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.866 -0.420 -7.856 1.00 0.00 H new ATOM 450 N LEU A 33 4.198 -1.521 -4.944 1.00 0.00 N ATOM 451 CA LEU A 33 3.135 -2.198 -4.210 1.00 0.00 C ATOM 452 C LEU A 33 1.774 -1.916 -4.839 1.00 0.00 C ATOM 453 O LEU A 33 1.612 -0.952 -5.587 1.00 0.00 O ATOM 454 CB LEU A 33 3.136 -1.754 -2.747 1.00 0.00 C ATOM 455 CG LEU A 33 4.492 -1.772 -2.040 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.551 -0.693 -0.970 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.759 -3.142 -1.434 1.00 0.00 C ATOM 0 H LEU A 33 4.367 -0.559 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 33 3.321 -3.271 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.735 -0.742 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.451 -2.396 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 33 5.267 -1.566 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.523 -0.721 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.406 0.284 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.766 -0.867 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.728 -3.137 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.979 -3.378 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.761 -3.895 -2.223 1.00 0.00 H new ATOM 469 N LYS A 34 0.798 -2.762 -4.528 1.00 0.00 N ATOM 470 CA LYS A 34 -0.551 -2.603 -5.059 1.00 0.00 C ATOM 471 C LYS A 34 -1.585 -2.643 -3.938 1.00 0.00 C ATOM 472 O LYS A 34 -1.368 -3.272 -2.903 1.00 0.00 O ATOM 473 CB LYS A 34 -0.851 -3.700 -6.083 1.00 0.00 C ATOM 474 CG LYS A 34 -2.172 -3.510 -6.808 1.00 0.00 C ATOM 475 CD LYS A 34 -1.996 -2.708 -8.087 1.00 0.00 C ATOM 476 CE LYS A 34 -3.023 -3.101 -9.137 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.772 -4.468 -9.674 1.00 0.00 N ATOM 0 H LYS A 34 0.916 -3.565 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.609 -1.631 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.045 -3.731 -6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.859 -4.665 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.602 -4.483 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.878 -3.000 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.088 -1.645 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.992 -2.866 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.022 -3.059 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.001 -2.380 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.223 -4.563 -10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.748 -4.622 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.170 -5.175 -9.024 1.00 0.00 H new ATOM 491 N ALA A 35 -2.710 -1.968 -4.153 1.00 0.00 N ATOM 492 CA ALA A 35 -3.778 -1.930 -3.162 1.00 0.00 C ATOM 493 C ALA A 35 -5.077 -2.488 -3.734 1.00 0.00 C ATOM 494 O ALA A 35 -5.724 -1.853 -4.566 1.00 0.00 O ATOM 495 CB ALA A 35 -3.987 -0.507 -2.665 1.00 0.00 C ATOM 0 H ALA A 35 -2.905 -1.441 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.482 -2.557 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.788 -0.494 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.066 -0.142 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.257 0.135 -3.503 1.00 0.00 H new ATOM 501 N PHE A 36 -5.453 -3.680 -3.282 1.00 0.00 N ATOM 502 CA PHE A 36 -6.674 -4.325 -3.750 1.00 0.00 C ATOM 503 C PHE A 36 -7.849 -3.994 -2.835 1.00 0.00 C ATOM 504 O PHE A 36 -7.685 -3.843 -1.624 1.00 0.00 O ATOM 505 CB PHE A 36 -6.481 -5.841 -3.822 1.00 0.00 C ATOM 506 CG PHE A 36 -5.598 -6.280 -4.955 1.00 0.00 C ATOM 507 CD1 PHE A 36 -4.245 -5.978 -4.954 1.00 0.00 C ATOM 508 CD2 PHE A 36 -6.120 -6.994 -6.021 1.00 0.00 C ATOM 509 CE1 PHE A 36 -3.431 -6.380 -5.996 1.00 0.00 C ATOM 510 CE2 PHE A 36 -5.310 -7.399 -7.065 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.964 -7.092 -7.052 1.00 0.00 C ATOM 0 H PHE A 36 -4.929 -4.219 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.895 -3.946 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.053 -6.190 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.455 -6.319 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.822 -5.422 -4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.172 -7.237 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.379 -6.137 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.730 -7.955 -7.890 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.329 -7.408 -7.866 1.00 0.00 H new ATOM 521 N VAL A 37 -9.036 -3.881 -3.423 1.00 0.00 N ATOM 522 CA VAL A 37 -10.240 -3.568 -2.662 1.00 0.00 C ATOM 523 C VAL A 37 -11.446 -4.327 -3.204 1.00 0.00 C ATOM 524 O VAL A 37 -11.761 -4.245 -4.390 1.00 0.00 O ATOM 525 CB VAL A 37 -10.543 -2.058 -2.687 1.00 0.00 C ATOM 526 CG1 VAL A 37 -11.807 -1.754 -1.897 1.00 0.00 C ATOM 527 CG2 VAL A 37 -9.362 -1.268 -2.145 1.00 0.00 C ATOM 0 H VAL A 37 -9.190 -4.002 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.053 -3.876 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.708 -1.755 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.005 -0.683 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.648 -2.291 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.675 -2.071 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.594 -0.203 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.162 -1.572 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.482 -1.462 -2.758 1.00 0.00 H new ATOM 537 N ALA A 38 -12.117 -5.065 -2.326 1.00 0.00 N ATOM 538 CA ALA A 38 -13.290 -5.837 -2.715 1.00 0.00 C ATOM 539 C ALA A 38 -14.497 -5.472 -1.858 1.00 0.00 C ATOM 540 O ALA A 38 -14.404 -5.333 -0.639 1.00 0.00 O ATOM 541 CB ALA A 38 -12.999 -7.327 -2.613 1.00 0.00 C ATOM 0 H ALA A 38 -11.868 -5.144 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.527 -5.594 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.884 -7.891 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.170 -7.582 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.734 -7.576 -1.586 1.00 0.00 H new ATOM 547 N PRO A 39 -15.659 -5.310 -2.509 1.00 0.00 N ATOM 548 CA PRO A 39 -15.782 -5.472 -3.961 1.00 0.00 C ATOM 549 C PRO A 39 -15.084 -4.356 -4.730 1.00 0.00 C ATOM 550 O PRO A 39 -14.750 -3.315 -4.165 1.00 0.00 O ATOM 551 CB PRO A 39 -17.294 -5.420 -4.197 1.00 0.00 C ATOM 552 CG PRO A 39 -17.829 -4.636 -3.048 1.00 0.00 C ATOM 553 CD PRO A 39 -16.942 -4.957 -1.878 1.00 0.00 C ATOM 0 HA PRO A 39 -15.314 -6.393 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.530 -4.941 -5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.725 -6.421 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.817 -3.568 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.864 -4.907 -2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.838 -4.105 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.339 -5.782 -1.287 1.00 0.00 H new ATOM 561 N ALA A 40 -14.866 -4.580 -6.022 1.00 0.00 N ATOM 562 CA ALA A 40 -14.210 -3.592 -6.868 1.00 0.00 C ATOM 563 C ALA A 40 -15.159 -2.450 -7.217 1.00 0.00 C ATOM 564 O ALA A 40 -16.357 -2.648 -7.422 1.00 0.00 O ATOM 565 CB ALA A 40 -13.683 -4.249 -8.136 1.00 0.00 C ATOM 0 H ALA A 40 -15.134 -5.437 -6.505 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.371 -3.175 -6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.195 -3.499 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.964 -5.025 -7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.512 -4.694 -8.686 1.00 0.00 H new ATOM 571 N PRO A 41 -14.614 -1.226 -7.286 1.00 0.00 N ATOM 572 CA PRO A 41 -15.396 -0.029 -7.609 1.00 0.00 C ATOM 573 C PRO A 41 -15.856 -0.013 -9.063 1.00 0.00 C ATOM 574 O PRO A 41 -15.186 -0.531 -9.957 1.00 0.00 O ATOM 575 CB PRO A 41 -14.416 1.116 -7.346 1.00 0.00 C ATOM 576 CG PRO A 41 -13.067 0.507 -7.517 1.00 0.00 C ATOM 577 CD PRO A 41 -13.194 -0.917 -7.053 1.00 0.00 C ATOM 0 HA PRO A 41 -16.311 0.032 -7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.571 1.938 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.542 1.523 -6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.748 0.551 -8.558 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.320 1.043 -6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.540 -1.583 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.927 -1.022 -6.001 1.00 0.00 H new ATOM 585 N PRO A 42 -17.026 0.596 -9.308 1.00 0.00 N ATOM 586 CA PRO A 42 -17.601 0.695 -10.652 1.00 0.00 C ATOM 587 C PRO A 42 -16.810 1.638 -11.553 1.00 0.00 C ATOM 588 O PRO A 42 -15.705 2.059 -11.210 1.00 0.00 O ATOM 589 CB PRO A 42 -19.004 1.251 -10.398 1.00 0.00 C ATOM 590 CG PRO A 42 -18.893 1.985 -9.107 1.00 0.00 C ATOM 591 CD PRO A 42 -17.877 1.235 -8.290 1.00 0.00 C ATOM 0 HA PRO A 42 -17.595 -0.264 -11.169 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -19.319 1.914 -11.204 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.742 0.451 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.579 3.016 -9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.855 2.022 -8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.303 1.904 -7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.349 0.498 -7.640 1.00 0.00 H new ATOM 599 N VAL A 43 -17.382 1.967 -12.706 1.00 0.00 N ATOM 600 CA VAL A 43 -16.731 2.862 -13.656 1.00 0.00 C ATOM 601 C VAL A 43 -16.863 4.316 -13.219 1.00 0.00 C ATOM 602 O VAL A 43 -16.097 5.176 -13.653 1.00 0.00 O ATOM 603 CB VAL A 43 -17.323 2.706 -15.070 1.00 0.00 C ATOM 604 CG1 VAL A 43 -18.839 2.824 -15.031 1.00 0.00 C ATOM 605 CG2 VAL A 43 -16.723 3.738 -16.013 1.00 0.00 C ATOM 0 H VAL A 43 -18.296 1.627 -13.006 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.677 2.587 -13.679 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.071 1.714 -15.444 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.239 2.711 -16.039 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -19.248 2.044 -14.389 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.118 3.801 -14.637 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.151 3.615 -17.008 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.944 4.740 -15.644 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.643 3.600 -16.064 1.00 0.00 H new ATOM 615 N GLU A 44 -17.839 4.583 -12.356 1.00 0.00 N ATOM 616 CA GLU A 44 -18.070 5.935 -11.861 1.00 0.00 C ATOM 617 C GLU A 44 -17.347 6.160 -10.536 1.00 0.00 C ATOM 618 O GLU A 44 -16.341 6.869 -10.477 1.00 0.00 O ATOM 619 CB GLU A 44 -19.569 6.188 -11.685 1.00 0.00 C ATOM 620 CG GLU A 44 -20.324 6.309 -12.998 1.00 0.00 C ATOM 621 CD GLU A 44 -19.986 7.581 -13.750 1.00 0.00 C ATOM 622 OE1 GLU A 44 -20.231 8.677 -13.202 1.00 0.00 O ATOM 623 OE2 GLU A 44 -19.478 7.482 -14.887 1.00 0.00 O ATOM 0 H GLU A 44 -18.481 3.882 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.674 6.636 -12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.000 5.375 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.709 7.103 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -20.094 5.448 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.396 6.282 -12.800 1.00 0.00 H new ATOM 630 N THR A 45 -17.866 5.552 -9.474 1.00 0.00 N ATOM 631 CA THR A 45 -17.272 5.687 -8.150 1.00 0.00 C ATOM 632 C THR A 45 -15.858 5.118 -8.121 1.00 0.00 C ATOM 633 O THR A 45 -15.639 3.953 -8.454 1.00 0.00 O ATOM 634 CB THR A 45 -18.121 4.977 -7.079 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.460 5.484 -7.099 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.520 5.172 -5.695 1.00 0.00 C ATOM 0 H THR A 45 -18.697 4.961 -9.505 1.00 0.00 H new ATOM 0 HA THR A 45 -17.236 6.753 -7.927 1.00 0.00 H new ATOM 0 HB THR A 45 -18.134 3.911 -7.305 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.993 5.026 -6.416 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.137 4.662 -4.955 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.512 4.758 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.480 6.236 -5.462 1.00 0.00 H new ATOM 644 N THR A 46 -14.899 5.948 -7.721 1.00 0.00 N ATOM 645 CA THR A 46 -13.506 5.528 -7.649 1.00 0.00 C ATOM 646 C THR A 46 -12.944 5.724 -6.246 1.00 0.00 C ATOM 647 O THR A 46 -12.827 6.851 -5.765 1.00 0.00 O ATOM 648 CB THR A 46 -12.632 6.304 -8.653 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.877 7.710 -8.530 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.918 5.857 -10.078 1.00 0.00 C ATOM 0 H THR A 46 -15.063 6.915 -7.442 1.00 0.00 H new ATOM 0 HA THR A 46 -13.483 4.468 -7.902 1.00 0.00 H new ATOM 0 HB THR A 46 -11.586 6.096 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.032 7.934 -7.589 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.289 6.419 -10.769 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.703 4.793 -10.176 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.967 6.039 -10.313 1.00 0.00 H new ATOM 658 N TYR A 47 -12.597 4.620 -5.593 1.00 0.00 N ATOM 659 CA TYR A 47 -12.048 4.670 -4.243 1.00 0.00 C ATOM 660 C TYR A 47 -10.698 5.380 -4.230 1.00 0.00 C ATOM 661 O TYR A 47 -9.945 5.323 -5.201 1.00 0.00 O ATOM 662 CB TYR A 47 -11.900 3.257 -3.677 1.00 0.00 C ATOM 663 CG TYR A 47 -13.208 2.507 -3.571 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.273 3.027 -2.846 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.380 1.278 -4.197 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.470 2.345 -2.745 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.574 0.589 -4.103 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.616 1.126 -3.375 1.00 0.00 C ATOM 669 OH TYR A 47 -16.807 0.444 -3.279 1.00 0.00 O ATOM 0 H TYR A 47 -12.686 3.679 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.740 5.233 -3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.217 2.691 -4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.444 3.316 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.163 3.981 -2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.566 0.854 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.287 2.764 -2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.691 -0.364 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.744 -0.396 -3.780 1.00 0.00 H new ATOM 679 N ASN A 48 -10.399 6.048 -3.121 1.00 0.00 N ATOM 680 CA ASN A 48 -9.139 6.770 -2.979 1.00 0.00 C ATOM 681 C ASN A 48 -8.104 5.919 -2.250 1.00 0.00 C ATOM 682 O ASN A 48 -8.421 5.238 -1.274 1.00 0.00 O ATOM 683 CB ASN A 48 -9.361 8.082 -2.225 1.00 0.00 C ATOM 684 CG ASN A 48 -9.758 9.219 -3.146 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.038 9.550 -4.089 1.00 0.00 O ATOM 686 ND2 ASN A 48 -10.909 9.824 -2.877 1.00 0.00 N ATOM 0 H ASN A 48 -11.012 6.105 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.762 6.993 -3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.138 7.939 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.448 8.351 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.228 10.596 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.474 9.517 -2.085 1.00 0.00 H new ATOM 693 N TYR A 49 -6.866 5.964 -2.728 1.00 0.00 N ATOM 694 CA TYR A 49 -5.784 5.197 -2.123 1.00 0.00 C ATOM 695 C TYR A 49 -4.819 6.112 -1.376 1.00 0.00 C ATOM 696 O TYR A 49 -4.124 6.926 -1.982 1.00 0.00 O ATOM 697 CB TYR A 49 -5.030 4.407 -3.194 1.00 0.00 C ATOM 698 CG TYR A 49 -5.931 3.579 -4.083 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.358 2.317 -3.688 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.354 4.058 -5.316 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.180 1.556 -4.497 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.177 3.305 -6.131 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.587 2.055 -5.717 1.00 0.00 C ATOM 704 OH TYR A 49 -8.406 1.301 -6.526 1.00 0.00 O ATOM 0 H TYR A 49 -6.586 6.524 -3.533 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.222 4.500 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.462 5.101 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.309 3.749 -2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.042 1.924 -2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.034 5.036 -5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.502 0.576 -4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.497 3.693 -7.087 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.601 1.797 -7.348 1.00 0.00 H new ATOM 714 N GLU A 50 -4.782 5.970 -0.054 1.00 0.00 N ATOM 715 CA GLU A 50 -3.902 6.783 0.776 1.00 0.00 C ATOM 716 C GLU A 50 -2.918 5.908 1.547 1.00 0.00 C ATOM 717 O GLU A 50 -3.295 5.217 2.494 1.00 0.00 O ATOM 718 CB GLU A 50 -4.724 7.627 1.754 1.00 0.00 C ATOM 719 CG GLU A 50 -3.883 8.335 2.802 1.00 0.00 C ATOM 720 CD GLU A 50 -4.586 9.538 3.400 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.833 9.578 3.357 1.00 0.00 O ATOM 722 OE2 GLU A 50 -3.888 10.439 3.910 1.00 0.00 O ATOM 0 H GLU A 50 -5.351 5.300 0.464 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.336 7.445 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.291 8.370 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.449 6.985 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.633 7.633 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.943 8.655 2.353 1.00 0.00 H new ATOM 729 N TRP A 51 -1.657 5.941 1.133 1.00 0.00 N ATOM 730 CA TRP A 51 -0.618 5.150 1.783 1.00 0.00 C ATOM 731 C TRP A 51 0.052 5.944 2.899 1.00 0.00 C ATOM 732 O TRP A 51 0.103 7.172 2.855 1.00 0.00 O ATOM 733 CB TRP A 51 0.428 4.704 0.759 1.00 0.00 C ATOM 734 CG TRP A 51 -0.098 3.712 -0.233 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.740 3.988 -1.407 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.028 2.285 -0.138 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.074 2.819 -2.046 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.647 1.760 -1.289 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.499 1.400 0.806 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.753 0.391 -1.518 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.393 0.042 0.578 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.228 -0.453 -0.577 1.00 0.00 C ATOM 0 H TRP A 51 -1.329 6.507 0.350 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.087 4.269 2.220 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.800 5.579 0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.277 4.267 1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.953 4.980 -1.778 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.561 2.750 -2.940 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.981 1.771 1.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.233 0.008 -2.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.796 -0.651 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.293 -1.520 -0.727 1.00 0.00 H new ATOM 753 N ASN A 52 0.563 5.234 3.899 1.00 0.00 N ATOM 754 CA ASN A 52 1.230 5.873 5.028 1.00 0.00 C ATOM 755 C ASN A 52 2.171 4.898 5.728 1.00 0.00 C ATOM 756 O ASN A 52 1.807 3.752 5.999 1.00 0.00 O ATOM 757 CB ASN A 52 0.196 6.404 6.023 1.00 0.00 C ATOM 758 CG ASN A 52 -0.424 7.712 5.570 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.239 8.749 5.542 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.702 7.669 5.214 1.00 0.00 N ATOM 0 H ASN A 52 0.528 4.216 3.951 1.00 0.00 H new ATOM 0 HA ASN A 52 1.819 6.707 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.589 5.660 6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.670 6.547 6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.173 8.518 4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.213 6.787 5.253 1.00 0.00 H new ATOM 767 N LEU A 53 3.383 5.359 6.018 1.00 0.00 N ATOM 768 CA LEU A 53 4.378 4.528 6.687 1.00 0.00 C ATOM 769 C LEU A 53 4.142 4.503 8.194 1.00 0.00 C ATOM 770 O LEU A 53 4.026 5.551 8.831 1.00 0.00 O ATOM 771 CB LEU A 53 5.787 5.043 6.388 1.00 0.00 C ATOM 772 CG LEU A 53 6.939 4.128 6.803 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.782 2.752 6.173 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.275 4.744 6.417 1.00 0.00 C ATOM 0 H LEU A 53 3.700 6.304 5.800 1.00 0.00 H new ATOM 0 HA LEU A 53 4.282 3.511 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.865 5.228 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.915 6.003 6.887 1.00 0.00 H new ATOM 0 HG LEU A 53 6.914 4.014 7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.611 2.115 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.842 2.307 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.780 2.847 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.084 4.079 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.310 4.889 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.390 5.706 6.917 1.00 0.00 H new ATOM 786 N ILE A 54 4.076 3.302 8.758 1.00 0.00 N ATOM 787 CA ILE A 54 3.858 3.142 10.190 1.00 0.00 C ATOM 788 C ILE A 54 5.014 2.390 10.841 1.00 0.00 C ATOM 789 O ILE A 54 5.547 2.817 11.865 1.00 0.00 O ATOM 790 CB ILE A 54 2.544 2.392 10.479 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.421 1.165 9.573 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.353 3.318 10.290 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.043 0.543 9.581 1.00 0.00 C ATOM 0 H ILE A 54 4.170 2.425 8.245 1.00 0.00 H new ATOM 0 HA ILE A 54 3.795 4.144 10.614 1.00 0.00 H new ATOM 0 HB ILE A 54 2.556 2.055 11.515 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.676 1.450 8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.150 0.418 9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.432 2.773 10.498 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.437 4.163 10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.335 3.683 9.263 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.030 -0.321 8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.793 0.226 10.593 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.311 1.275 9.239 1.00 0.00 H new ATOM 805 N SER A 55 5.397 1.268 10.239 1.00 0.00 N ATOM 806 CA SER A 55 6.489 0.455 10.761 1.00 0.00 C ATOM 807 C SER A 55 7.769 0.688 9.965 1.00 0.00 C ATOM 808 O SER A 55 7.914 0.200 8.844 1.00 0.00 O ATOM 809 CB SER A 55 6.113 -1.028 10.721 1.00 0.00 C ATOM 810 OG SER A 55 6.740 -1.741 11.772 1.00 0.00 O ATOM 0 H SER A 55 4.967 0.902 9.390 1.00 0.00 H new ATOM 0 HA SER A 55 6.666 0.750 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.031 -1.134 10.800 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.406 -1.455 9.762 1.00 0.00 H new ATOM 0 HG SER A 55 6.483 -2.685 11.726 1.00 0.00 H new ATOM 816 N HIS A 56 8.695 1.438 10.553 1.00 0.00 N ATOM 817 CA HIS A 56 9.965 1.737 9.899 1.00 0.00 C ATOM 818 C HIS A 56 11.008 2.187 10.918 1.00 0.00 C ATOM 819 O HIS A 56 10.688 2.773 11.953 1.00 0.00 O ATOM 820 CB HIS A 56 9.773 2.820 8.837 1.00 0.00 C ATOM 821 CG HIS A 56 9.725 4.208 9.398 1.00 0.00 C ATOM 822 ND1 HIS A 56 10.804 5.065 9.379 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.717 4.887 9.994 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.463 6.211 9.942 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.201 6.129 10.323 1.00 0.00 N ATOM 0 H HIS A 56 8.591 1.850 11.480 1.00 0.00 H new ATOM 0 HA HIS A 56 10.321 0.826 9.418 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.587 2.757 8.115 1.00 0.00 H new ATOM 0 HB3 HIS A 56 8.849 2.625 8.294 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.718 4.520 10.177 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.107 7.069 10.069 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.672 6.868 10.786 1.00 0.00 H new ATOM 834 N PRO A 57 12.285 1.906 10.622 1.00 0.00 N ATOM 835 CA PRO A 57 13.401 2.272 11.499 1.00 0.00 C ATOM 836 C PRO A 57 13.638 3.778 11.537 1.00 0.00 C ATOM 837 O PRO A 57 13.123 4.520 10.701 1.00 0.00 O ATOM 838 CB PRO A 57 14.598 1.557 10.868 1.00 0.00 C ATOM 839 CG PRO A 57 14.231 1.398 9.433 1.00 0.00 C ATOM 840 CD PRO A 57 12.739 1.209 9.406 1.00 0.00 C ATOM 0 HA PRO A 57 13.216 1.988 12.535 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.512 2.140 10.981 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.776 0.591 11.340 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.524 2.275 8.856 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.741 0.541 8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.296 1.638 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.467 0.154 9.423 1.00 0.00 H new ATOM 848 N THR A 58 14.423 4.224 12.513 1.00 0.00 N ATOM 849 CA THR A 58 14.728 5.641 12.661 1.00 0.00 C ATOM 850 C THR A 58 15.776 6.086 11.647 1.00 0.00 C ATOM 851 O THR A 58 15.765 7.229 11.190 1.00 0.00 O ATOM 852 CB THR A 58 15.234 5.962 14.080 1.00 0.00 C ATOM 853 OG1 THR A 58 15.096 7.363 14.344 1.00 0.00 O ATOM 854 CG2 THR A 58 16.690 5.552 14.241 1.00 0.00 C ATOM 0 H THR A 58 14.859 3.624 13.213 1.00 0.00 H new ATOM 0 HA THR A 58 13.800 6.184 12.483 1.00 0.00 H new ATOM 0 HB THR A 58 14.633 5.397 14.793 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.418 7.559 15.249 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.025 5.788 15.251 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.787 4.480 14.068 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.302 6.093 13.520 1.00 0.00 H new ATOM 862 N ASP A 59 16.680 5.177 11.300 1.00 0.00 N ATOM 863 CA ASP A 59 17.735 5.475 10.338 1.00 0.00 C ATOM 864 C ASP A 59 17.144 5.835 8.978 1.00 0.00 C ATOM 865 O ASP A 59 17.675 6.687 8.265 1.00 0.00 O ATOM 866 CB ASP A 59 18.680 4.281 10.198 1.00 0.00 C ATOM 867 CG ASP A 59 19.691 4.207 11.325 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.731 4.892 11.236 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.441 3.465 12.298 1.00 0.00 O ATOM 0 H ASP A 59 16.704 4.227 11.671 1.00 0.00 H new ATOM 0 HA ASP A 59 18.298 6.332 10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.097 3.360 10.176 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.206 4.348 9.246 1.00 0.00 H new ATOM 874 N TYR A 60 16.044 5.180 8.625 1.00 0.00 N ATOM 875 CA TYR A 60 15.383 5.428 7.349 1.00 0.00 C ATOM 876 C TYR A 60 15.337 6.921 7.041 1.00 0.00 C ATOM 877 O TYR A 60 15.004 7.734 7.903 1.00 0.00 O ATOM 878 CB TYR A 60 13.965 4.855 7.366 1.00 0.00 C ATOM 879 CG TYR A 60 13.221 5.042 6.063 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.789 4.657 4.854 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.951 5.605 6.039 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.114 4.827 3.661 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.268 5.777 4.851 1.00 0.00 C ATOM 884 CZ TYR A 60 11.853 5.387 3.665 1.00 0.00 C ATOM 885 OH TYR A 60 11.176 5.558 2.479 1.00 0.00 O ATOM 0 H TYR A 60 15.591 4.473 9.204 1.00 0.00 H new ATOM 0 HA TYR A 60 15.959 4.932 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.015 3.791 7.597 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.400 5.329 8.169 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.775 4.217 4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.490 5.914 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.571 4.523 2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.281 6.215 4.851 1.00 0.00 H new ATOM 0 HH TYR A 60 10.302 5.964 2.657 1.00 0.00 H new ATOM 934 N ILE A 64 7.762 9.256 1.273 1.00 0.00 N ATOM 935 CA ILE A 64 6.666 8.605 0.565 1.00 0.00 C ATOM 936 C ILE A 64 5.599 9.615 0.155 1.00 0.00 C ATOM 937 O ILE A 64 5.355 10.596 0.858 1.00 0.00 O ATOM 938 CB ILE A 64 6.014 7.506 1.424 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.058 6.468 1.842 1.00 0.00 C ATOM 940 CG2 ILE A 64 4.876 6.843 0.662 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.683 5.703 3.091 1.00 0.00 C ATOM 0 HA ILE A 64 7.094 8.150 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 64 5.604 7.965 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.205 5.763 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.012 6.970 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.425 6.068 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.123 7.590 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.263 6.395 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.468 4.985 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.565 6.399 3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.745 5.173 2.925 1.00 0.00 H new ATOM 953 N LYS A 65 4.965 9.367 -0.985 1.00 0.00 N ATOM 954 CA LYS A 65 3.920 10.252 -1.488 1.00 0.00 C ATOM 955 C LYS A 65 2.537 9.675 -1.208 1.00 0.00 C ATOM 956 O LYS A 65 1.618 9.825 -2.013 1.00 0.00 O ATOM 957 CB LYS A 65 4.096 10.478 -2.991 1.00 0.00 C ATOM 958 CG LYS A 65 5.354 11.251 -3.348 1.00 0.00 C ATOM 959 CD LYS A 65 5.220 11.944 -4.693 1.00 0.00 C ATOM 960 CE LYS A 65 5.419 10.970 -5.844 1.00 0.00 C ATOM 961 NZ LYS A 65 4.198 10.155 -6.097 1.00 0.00 N ATOM 0 H LYS A 65 5.156 8.560 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 65 4.007 11.207 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.119 9.512 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.229 11.016 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.559 11.992 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.206 10.571 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.235 12.404 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.953 12.748 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.681 11.522 -6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.257 10.310 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.068 10.033 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.304 9.223 -5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.369 10.639 -5.698 1.00 0.00 H new ATOM 975 N GLN A 66 2.396 9.016 -0.062 1.00 0.00 N ATOM 976 CA GLN A 66 1.123 8.418 0.323 1.00 0.00 C ATOM 977 C GLN A 66 0.475 7.707 -0.861 1.00 0.00 C ATOM 978 O GLN A 66 -0.745 7.564 -0.920 1.00 0.00 O ATOM 979 CB GLN A 66 0.177 9.488 0.870 1.00 0.00 C ATOM 980 CG GLN A 66 0.547 9.973 2.262 1.00 0.00 C ATOM 981 CD GLN A 66 0.164 11.421 2.497 1.00 0.00 C ATOM 982 OE1 GLN A 66 0.453 12.292 1.676 1.00 0.00 O ATOM 983 NE2 GLN A 66 -0.489 11.686 3.622 1.00 0.00 N ATOM 0 H GLN A 66 3.147 8.883 0.615 1.00 0.00 H new ATOM 0 HA GLN A 66 1.318 7.682 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.170 10.338 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.837 9.088 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.053 9.346 3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.621 9.857 2.410 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.708 10.933 4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.772 12.643 3.834 1.00 0.00 H new ATOM 992 N GLY A 67 1.302 7.263 -1.803 1.00 0.00 N ATOM 993 CA GLY A 67 0.791 6.572 -2.973 1.00 0.00 C ATOM 994 C GLY A 67 -0.563 7.095 -3.409 1.00 0.00 C ATOM 995 O GLY A 67 -1.561 6.375 -3.355 1.00 0.00 O ATOM 0 H GLY A 67 2.316 7.369 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.500 6.680 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.713 5.506 -2.757 1.00 0.00 H new ATOM 999 N HIS A 68 -0.600 8.351 -3.842 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.843 8.970 -4.288 1.00 0.00 C ATOM 1001 C HIS A 68 -2.641 8.012 -5.167 1.00 0.00 C ATOM 1002 O HIS A 68 -3.857 8.147 -5.306 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.549 10.260 -5.054 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.713 11.236 -4.286 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.985 11.598 -2.983 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.396 11.926 -4.642 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.081 12.470 -2.573 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.768 12.685 -3.561 1.00 0.00 N ATOM 0 H HIS A 68 0.217 8.960 -3.894 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.439 9.208 -3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.039 10.012 -5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.492 10.735 -5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.895 11.886 -5.599 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.043 12.929 -1.596 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.571 13.314 -3.526 1.00 0.00 H new ATOM 1017 N LYS A 69 -1.950 7.045 -5.760 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.593 6.064 -6.626 1.00 0.00 C ATOM 1019 C LYS A 69 -2.731 4.720 -5.917 1.00 0.00 C ATOM 1020 O LYS A 69 -2.341 4.577 -4.759 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.792 5.891 -7.919 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.165 6.887 -9.003 1.00 0.00 C ATOM 1023 CD LYS A 69 -3.544 6.600 -9.574 1.00 0.00 C ATOM 1024 CE LYS A 69 -3.513 5.427 -10.541 1.00 0.00 C ATOM 1025 NZ LYS A 69 -3.251 5.868 -11.939 1.00 0.00 N ATOM 0 H LYS A 69 -0.943 6.919 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.590 6.430 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.730 5.991 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.944 4.880 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.143 7.897 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.425 6.851 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.238 6.385 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.918 7.486 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.741 4.722 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.464 4.897 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.238 5.040 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.001 6.521 -12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.331 6.352 -11.984 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.286 3.739 -6.622 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.474 2.407 -6.059 1.00 0.00 C ATOM 1041 C GLN A 70 -2.134 1.707 -5.859 1.00 0.00 C ATOM 1042 O GLN A 70 -1.986 0.865 -4.973 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.371 1.568 -6.970 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.414 0.096 -6.592 1.00 0.00 C ATOM 1045 CD GLN A 70 -4.828 -0.792 -7.749 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -4.463 -0.544 -8.899 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.595 -1.834 -7.451 1.00 0.00 N ATOM 0 H GLN A 70 -3.613 3.841 -7.583 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.955 2.515 -5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.383 1.972 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.020 1.661 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.431 -0.213 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.111 -0.043 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.874 -2.002 -6.484 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.905 -2.466 -8.189 1.00 0.00 H new ATOM 1056 N THR A 71 -1.158 2.060 -6.690 1.00 0.00 N ATOM 1057 CA THR A 71 0.170 1.464 -6.607 1.00 0.00 C ATOM 1058 C THR A 71 1.187 2.461 -6.063 1.00 0.00 C ATOM 1059 O THR A 71 1.218 3.621 -6.477 1.00 0.00 O ATOM 1060 CB THR A 71 0.647 0.960 -7.982 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.310 1.912 -8.997 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.020 -0.386 -8.313 1.00 0.00 C ATOM 0 H THR A 71 -1.262 2.756 -7.428 1.00 0.00 H new ATOM 0 HA THR A 71 0.094 0.617 -5.925 1.00 0.00 H new ATOM 0 HB THR A 71 1.730 0.839 -7.944 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.618 1.585 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.372 -0.721 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.303 -1.116 -7.555 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.065 -0.287 -8.333 1.00 0.00 H new ATOM 1070 N LEU A 72 2.018 2.003 -5.133 1.00 0.00 N ATOM 1071 CA LEU A 72 3.038 2.856 -4.532 1.00 0.00 C ATOM 1072 C LEU A 72 4.434 2.427 -4.972 1.00 0.00 C ATOM 1073 O LEU A 72 4.759 1.241 -4.969 1.00 0.00 O ATOM 1074 CB LEU A 72 2.935 2.810 -3.006 1.00 0.00 C ATOM 1075 CG LEU A 72 3.905 3.710 -2.241 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.710 5.165 -2.637 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.723 3.535 -0.740 1.00 0.00 C ATOM 0 H LEU A 72 2.006 1.047 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 72 2.868 3.878 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.918 3.081 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.093 1.781 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 72 4.923 3.418 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.409 5.790 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.891 5.279 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.689 5.471 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.422 4.183 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.702 3.799 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.915 2.497 -0.469 1.00 0.00 H new ATOM 1089 N ASN A 73 5.256 3.402 -5.347 1.00 0.00 N ATOM 1090 CA ASN A 73 6.618 3.126 -5.788 1.00 0.00 C ATOM 1091 C ASN A 73 7.635 3.761 -4.844 1.00 0.00 C ATOM 1092 O ASN A 73 7.571 4.958 -4.560 1.00 0.00 O ATOM 1093 CB ASN A 73 6.832 3.647 -7.211 1.00 0.00 C ATOM 1094 CG ASN A 73 5.552 3.646 -8.025 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.159 4.670 -8.584 1.00 0.00 O ATOM 1096 ND2 ASN A 73 4.896 2.494 -8.094 1.00 0.00 N ATOM 0 H ASN A 73 5.002 4.390 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 73 6.764 2.046 -5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.231 4.660 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.579 3.031 -7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.028 2.432 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.260 1.671 -7.614 1.00 0.00 H new ATOM 1103 N LEU A 74 8.572 2.952 -4.362 1.00 0.00 N ATOM 1104 CA LEU A 74 9.604 3.434 -3.451 1.00 0.00 C ATOM 1105 C LEU A 74 10.939 3.588 -4.172 1.00 0.00 C ATOM 1106 O LEU A 74 11.228 2.864 -5.125 1.00 0.00 O ATOM 1107 CB LEU A 74 9.757 2.475 -2.269 1.00 0.00 C ATOM 1108 CG LEU A 74 8.877 2.764 -1.052 1.00 0.00 C ATOM 1109 CD1 LEU A 74 9.029 4.212 -0.614 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.420 2.449 -1.360 1.00 0.00 C ATOM 0 H LEU A 74 8.638 1.959 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 74 9.298 4.412 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.541 1.465 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.799 2.487 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 74 9.202 2.122 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.395 4.398 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.069 4.405 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.732 4.872 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.809 2.661 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.083 3.065 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.323 1.396 -1.624 1.00 0.00 H new ATOM 1122 N SER A 75 11.751 4.533 -3.709 1.00 0.00 N ATOM 1123 CA SER A 75 13.055 4.783 -4.310 1.00 0.00 C ATOM 1124 C SER A 75 14.060 5.240 -3.258 1.00 0.00 C ATOM 1125 O SER A 75 13.686 5.811 -2.234 1.00 0.00 O ATOM 1126 CB SER A 75 12.939 5.837 -5.413 1.00 0.00 C ATOM 1127 OG SER A 75 12.832 7.139 -4.864 1.00 0.00 O ATOM 0 H SER A 75 11.528 5.138 -2.919 1.00 0.00 H new ATOM 0 HA SER A 75 13.411 3.849 -4.746 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.811 5.784 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.066 5.627 -6.031 1.00 0.00 H new ATOM 0 HG SER A 75 12.761 7.795 -5.589 1.00 0.00 H new ATOM 1133 N GLN A 76 15.338 4.985 -3.518 1.00 0.00 N ATOM 1134 CA GLN A 76 16.398 5.369 -2.593 1.00 0.00 C ATOM 1135 C GLN A 76 16.207 4.698 -1.238 1.00 0.00 C ATOM 1136 O GLN A 76 16.542 5.267 -0.198 1.00 0.00 O ATOM 1137 CB GLN A 76 16.428 6.889 -2.423 1.00 0.00 C ATOM 1138 CG GLN A 76 16.644 7.643 -3.725 1.00 0.00 C ATOM 1139 CD GLN A 76 17.269 9.008 -3.513 1.00 0.00 C ATOM 1140 OE1 GLN A 76 16.601 9.951 -3.090 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.560 9.120 -3.807 1.00 0.00 N ATOM 0 H GLN A 76 15.665 4.514 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 76 17.349 5.038 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.489 7.215 -1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.222 7.152 -1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.284 7.052 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.688 7.761 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.076 8.312 -4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.035 10.014 -3.684 1.00 0.00 H new ATOM 1150 N LEU A 77 15.667 3.484 -1.255 1.00 0.00 N ATOM 1151 CA LEU A 77 15.431 2.734 -0.026 1.00 0.00 C ATOM 1152 C LEU A 77 16.737 2.172 0.528 1.00 0.00 C ATOM 1153 O LEU A 77 17.780 2.244 -0.121 1.00 0.00 O ATOM 1154 CB LEU A 77 14.441 1.596 -0.282 1.00 0.00 C ATOM 1155 CG LEU A 77 12.975 2.004 -0.430 1.00 0.00 C ATOM 1156 CD1 LEU A 77 12.140 0.828 -0.914 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.434 2.537 0.889 1.00 0.00 C ATOM 0 H LEU A 77 15.384 2.998 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 77 15.008 3.416 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.745 1.073 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.518 0.882 0.538 1.00 0.00 H new ATOM 0 HG LEU A 77 12.912 2.799 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.099 1.137 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.513 0.491 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.209 0.012 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.389 2.823 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.510 1.763 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.014 3.407 1.195 1.00 0.00 H new ATOM 1169 N SER A 78 16.670 1.610 1.730 1.00 0.00 N ATOM 1170 CA SER A 78 17.847 1.036 2.373 1.00 0.00 C ATOM 1171 C SER A 78 17.481 -0.222 3.153 1.00 0.00 C ATOM 1172 O SER A 78 16.321 -0.634 3.181 1.00 0.00 O ATOM 1173 CB SER A 78 18.494 2.060 3.307 1.00 0.00 C ATOM 1174 OG SER A 78 17.529 2.652 4.161 1.00 0.00 O ATOM 0 H SER A 78 15.813 1.540 2.279 1.00 0.00 H new ATOM 0 HA SER A 78 18.560 0.764 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.265 1.575 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.987 2.834 2.718 1.00 0.00 H new ATOM 0 HG SER A 78 16.769 2.043 4.267 1.00 0.00 H new ATOM 1180 N VAL A 79 18.479 -0.829 3.787 1.00 0.00 N ATOM 1181 CA VAL A 79 18.263 -2.040 4.570 1.00 0.00 C ATOM 1182 C VAL A 79 17.426 -1.751 5.811 1.00 0.00 C ATOM 1183 O VAL A 79 17.871 -1.060 6.726 1.00 0.00 O ATOM 1184 CB VAL A 79 19.599 -2.674 5.002 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.353 -3.933 5.820 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.462 -2.978 3.787 1.00 0.00 C ATOM 0 H VAL A 79 19.445 -0.502 3.774 1.00 0.00 H new ATOM 0 HA VAL A 79 17.727 -2.740 3.929 1.00 0.00 H new ATOM 0 HB VAL A 79 20.134 -1.961 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.308 -4.367 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.777 -3.682 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.797 -4.654 5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.402 -3.425 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.936 -3.673 3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.667 -2.054 3.246 1.00 0.00 H new ATOM 1196 N GLY A 80 16.209 -2.286 5.835 1.00 0.00 N ATOM 1197 CA GLY A 80 15.328 -2.074 6.968 1.00 0.00 C ATOM 1198 C GLY A 80 13.903 -2.508 6.684 1.00 0.00 C ATOM 1199 O GLY A 80 13.543 -2.770 5.536 1.00 0.00 O ATOM 0 H GLY A 80 15.818 -2.862 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.708 -2.626 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.336 -1.018 7.238 1.00 0.00 H new ATOM 1203 N LEU A 81 13.090 -2.586 7.732 1.00 0.00 N ATOM 1204 CA LEU A 81 11.696 -2.992 7.590 1.00 0.00 C ATOM 1205 C LEU A 81 10.799 -1.784 7.342 1.00 0.00 C ATOM 1206 O LEU A 81 10.956 -0.741 7.977 1.00 0.00 O ATOM 1207 CB LEU A 81 11.232 -3.738 8.842 1.00 0.00 C ATOM 1208 CG LEU A 81 9.794 -4.258 8.820 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.644 -5.368 7.791 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.383 -4.749 10.200 1.00 0.00 C ATOM 0 H LEU A 81 13.372 -2.374 8.689 1.00 0.00 H new ATOM 0 HA LEU A 81 11.623 -3.657 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.900 -4.583 9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.344 -3.073 9.699 1.00 0.00 H new ATOM 0 HG LEU A 81 9.135 -3.437 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.614 -5.726 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.896 -4.984 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.314 -6.190 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.357 -5.115 10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.046 -5.556 10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.451 -3.928 10.914 1.00 0.00 H new ATOM 1222 N TYR A 82 9.858 -1.933 6.416 1.00 0.00 N ATOM 1223 CA TYR A 82 8.935 -0.854 6.084 1.00 0.00 C ATOM 1224 C TYR A 82 7.529 -1.395 5.843 1.00 0.00 C ATOM 1225 O TYR A 82 7.287 -2.121 4.880 1.00 0.00 O ATOM 1226 CB TYR A 82 9.423 -0.101 4.845 1.00 0.00 C ATOM 1227 CG TYR A 82 10.913 0.158 4.841 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.466 1.161 5.628 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.767 -0.602 4.052 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.826 1.401 5.627 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.129 -0.370 4.045 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.654 0.633 4.834 1.00 0.00 C ATOM 1233 OH TYR A 82 15.010 0.868 4.831 1.00 0.00 O ATOM 0 H TYR A 82 9.714 -2.790 5.882 1.00 0.00 H new ATOM 0 HA TYR A 82 8.900 -0.166 6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.160 -0.673 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.897 0.851 4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.821 1.763 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.359 -1.388 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.239 2.186 6.244 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.779 -0.970 3.426 1.00 0.00 H new ATOM 0 HH TYR A 82 15.482 0.055 4.555 1.00 0.00 H new ATOM 1243 N VAL A 83 6.604 -1.033 6.727 1.00 0.00 N ATOM 1244 CA VAL A 83 5.221 -1.479 6.612 1.00 0.00 C ATOM 1245 C VAL A 83 4.312 -0.340 6.162 1.00 0.00 C ATOM 1246 O VAL A 83 4.072 0.609 6.909 1.00 0.00 O ATOM 1247 CB VAL A 83 4.699 -2.041 7.947 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.240 -2.453 7.820 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.555 -3.214 8.402 1.00 0.00 C ATOM 0 H VAL A 83 6.788 -0.432 7.530 1.00 0.00 H new ATOM 0 HA VAL A 83 5.205 -2.271 5.863 1.00 0.00 H new ATOM 0 HB VAL A 83 4.766 -1.257 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.889 -2.848 8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.640 -1.586 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.144 -3.221 7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.172 -3.599 9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.522 -4.002 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.585 -2.883 8.536 1.00 0.00 H new ATOM 1259 N PHE A 84 3.808 -0.442 4.937 1.00 0.00 N ATOM 1260 CA PHE A 84 2.925 0.580 4.387 1.00 0.00 C ATOM 1261 C PHE A 84 1.461 0.189 4.568 1.00 0.00 C ATOM 1262 O PHE A 84 1.075 -0.952 4.313 1.00 0.00 O ATOM 1263 CB PHE A 84 3.226 0.800 2.903 1.00 0.00 C ATOM 1264 CG PHE A 84 4.694 0.870 2.594 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.364 2.083 2.621 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.405 -0.276 2.276 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.715 2.151 2.335 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.756 -0.215 1.991 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.412 1.000 2.021 1.00 0.00 C ATOM 0 H PHE A 84 3.996 -1.221 4.306 1.00 0.00 H new ATOM 0 HA PHE A 84 3.104 1.509 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.779 -0.010 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.750 1.724 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.825 2.985 2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.897 -1.229 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.225 3.103 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.298 -1.116 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.468 1.050 1.799 1.00 0.00 H new ATOM 1279 N LYS A 85 0.650 1.144 5.010 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.772 0.902 5.225 1.00 0.00 C ATOM 1281 C LYS A 85 -1.617 1.748 4.278 1.00 0.00 C ATOM 1282 O LYS A 85 -1.681 2.970 4.411 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.149 1.210 6.675 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.643 1.381 6.893 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.960 1.731 8.337 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.970 3.237 8.556 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.323 3.819 8.340 1.00 0.00 N ATOM 0 H LYS A 85 0.953 2.094 5.227 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.971 -0.150 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.787 0.405 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.638 2.120 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.020 2.165 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.159 0.461 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.931 1.316 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.222 1.271 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.637 3.459 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.259 3.708 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.345 4.792 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.539 3.827 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.032 3.245 8.840 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.266 1.090 3.322 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.109 1.782 2.355 1.00 0.00 C ATOM 1303 C VAL A 86 -4.531 1.942 2.882 1.00 0.00 C ATOM 1304 O VAL A 86 -5.310 0.988 2.902 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.153 1.031 1.011 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.265 -0.468 1.240 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.307 1.536 0.157 1.00 0.00 C ATOM 0 H VAL A 86 -2.224 0.079 3.197 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.669 2.767 2.198 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.223 1.224 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.295 -0.982 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.403 -0.814 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.178 -0.684 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.324 0.995 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.247 1.375 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.178 2.601 -0.036 1.00 0.00 H new ATOM 1317 N THR A 87 -4.865 3.156 3.308 1.00 0.00 N ATOM 1318 CA THR A 87 -6.193 3.443 3.835 1.00 0.00 C ATOM 1319 C THR A 87 -7.147 3.864 2.724 1.00 0.00 C ATOM 1320 O THR A 87 -7.012 4.947 2.153 1.00 0.00 O ATOM 1321 CB THR A 87 -6.146 4.552 4.904 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.941 4.443 5.670 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.351 4.464 5.828 1.00 0.00 C ATOM 0 H THR A 87 -4.233 3.957 3.298 1.00 0.00 H new ATOM 0 HA THR A 87 -6.557 2.523 4.292 1.00 0.00 H new ATOM 0 HB THR A 87 -6.167 5.517 4.397 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.839 5.238 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.296 5.257 6.574 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.265 4.577 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.356 3.495 6.328 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.113 3.002 2.421 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.091 3.286 1.378 1.00 0.00 C ATOM 1333 C VAL A 88 -10.506 3.322 1.946 1.00 0.00 C ATOM 1334 O VAL A 88 -11.018 2.311 2.428 1.00 0.00 O ATOM 1335 CB VAL A 88 -9.029 2.239 0.250 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.180 2.436 -0.725 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.691 2.311 -0.470 1.00 0.00 C ATOM 0 H VAL A 88 -8.239 2.101 2.883 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.842 4.265 0.969 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.125 1.247 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.120 1.687 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.127 2.330 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.119 3.432 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.664 1.564 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.563 3.304 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.886 2.116 0.238 1.00 0.00 H new ATOM 1347 N SER A 89 -11.132 4.493 1.887 1.00 0.00 N ATOM 1348 CA SER A 89 -12.487 4.661 2.399 1.00 0.00 C ATOM 1349 C SER A 89 -13.304 5.568 1.484 1.00 0.00 C ATOM 1350 O SER A 89 -12.760 6.444 0.812 1.00 0.00 O ATOM 1351 CB SER A 89 -12.452 5.243 3.813 1.00 0.00 C ATOM 1352 OG SER A 89 -12.124 6.621 3.790 1.00 0.00 O ATOM 0 H SER A 89 -10.723 5.339 1.490 1.00 0.00 H new ATOM 0 HA SER A 89 -12.962 3.680 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.422 5.105 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.721 4.702 4.414 1.00 0.00 H new ATOM 0 HG SER A 89 -12.110 6.969 4.706 1.00 0.00 H new ATOM 1358 N SER A 90 -14.616 5.352 1.464 1.00 0.00 N ATOM 1359 CA SER A 90 -15.509 6.146 0.630 1.00 0.00 C ATOM 1360 C SER A 90 -16.607 6.791 1.470 1.00 0.00 C ATOM 1361 O SER A 90 -16.728 6.521 2.664 1.00 0.00 O ATOM 1362 CB SER A 90 -16.132 5.274 -0.462 1.00 0.00 C ATOM 1363 OG SER A 90 -16.728 6.069 -1.472 1.00 0.00 O ATOM 0 H SER A 90 -15.083 4.633 2.016 1.00 0.00 H new ATOM 0 HA SER A 90 -14.922 6.936 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.366 4.635 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.882 4.616 -0.023 1.00 0.00 H new ATOM 0 HG SER A 90 -17.117 5.488 -2.159 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.406 7.644 0.836 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.493 8.328 1.525 1.00 0.00 C ATOM 1371 C GLU A 91 -19.178 7.396 2.521 1.00 0.00 C ATOM 1372 O GLU A 91 -19.269 7.700 3.709 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.516 8.853 0.515 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.746 9.470 1.160 1.00 0.00 C ATOM 1375 CD GLU A 91 -21.725 10.020 0.140 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.554 11.183 -0.280 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -22.663 9.286 -0.237 1.00 0.00 O ATOM 0 H GLU A 91 -17.320 7.877 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.069 9.169 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.037 9.598 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.828 8.034 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.247 8.719 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.437 10.272 1.831 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.658 6.260 2.026 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.335 5.284 2.871 1.00 0.00 C ATOM 1386 C ASN A 92 -19.550 3.977 2.929 1.00 0.00 C ATOM 1387 O ASN A 92 -20.127 2.891 2.871 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.749 5.020 2.349 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.781 4.805 0.848 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -21.078 3.944 0.318 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.598 5.590 0.156 1.00 0.00 N ATOM 0 H ASN A 92 -19.591 5.993 1.044 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.398 5.695 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.159 4.142 2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.391 5.862 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.662 5.493 -0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.162 6.290 0.638 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.231 4.089 3.043 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.367 2.917 3.111 1.00 0.00 C ATOM 1400 C ALA A 93 -16.039 3.252 3.783 1.00 0.00 C ATOM 1401 O ALA A 93 -15.659 4.419 3.881 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.129 2.356 1.718 1.00 0.00 C ATOM 0 H ALA A 93 -17.737 4.980 3.090 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.869 2.161 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.482 1.481 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.082 2.070 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.652 3.114 1.097 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.339 2.222 4.244 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.054 2.407 4.908 1.00 0.00 C ATOM 1410 C PHE A 94 -13.276 1.095 4.965 1.00 0.00 C ATOM 1411 O PHE A 94 -13.830 0.047 5.292 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.261 2.952 6.323 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.116 2.662 7.251 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.816 2.976 6.888 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.339 2.074 8.486 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.760 2.711 7.739 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.287 1.807 9.341 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.996 2.125 8.967 1.00 0.00 C ATOM 0 H PHE A 94 -15.640 1.250 4.170 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.475 3.127 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.411 4.030 6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.173 2.523 6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.626 3.433 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.346 1.822 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.752 2.962 7.444 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.474 1.350 10.301 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.173 1.916 9.634 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.988 1.163 4.644 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.155 -0.025 4.664 1.00 0.00 C ATOM 1430 C GLY A 95 -9.677 0.301 4.575 1.00 0.00 C ATOM 1431 O GLY A 95 -9.301 1.391 4.145 1.00 0.00 O ATOM 0 H GLY A 95 -11.506 2.020 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.346 -0.583 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.432 -0.673 3.832 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.838 -0.645 4.984 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.394 -0.451 4.951 1.00 0.00 C ATOM 1437 C GLU A 96 -6.662 -1.785 5.065 1.00 0.00 C ATOM 1438 O GLU A 96 -7.219 -2.772 5.544 1.00 0.00 O ATOM 1439 CB GLU A 96 -6.956 0.482 6.082 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.542 0.115 7.435 1.00 0.00 C ATOM 1441 CD GLU A 96 -6.677 -0.870 8.198 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -5.500 -1.044 7.819 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.179 -1.466 9.174 1.00 0.00 O ATOM 0 H GLU A 96 -9.134 -1.553 5.342 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.137 0.004 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.868 0.470 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.248 1.502 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.667 1.020 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.534 -0.313 7.293 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.409 -1.807 4.621 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.621 -3.024 4.681 1.00 0.00 C ATOM 1452 C GLY A 97 -3.254 -2.800 5.295 1.00 0.00 C ATOM 1453 O GLY A 97 -2.969 -1.722 5.818 1.00 0.00 O ATOM 0 H GLY A 97 -4.925 -1.003 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.159 -3.773 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.502 -3.426 3.675 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.405 -3.821 5.235 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.060 -3.731 5.792 1.00 0.00 C ATOM 1459 C PHE A 98 -0.096 -4.638 5.032 1.00 0.00 C ATOM 1460 O PHE A 98 -0.326 -5.840 4.904 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.073 -4.110 7.274 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.816 -3.130 8.136 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -1.169 -2.029 8.673 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -3.163 -3.310 8.411 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -1.849 -1.125 9.467 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -3.849 -2.409 9.203 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.191 -1.316 9.733 1.00 0.00 C ATOM 0 H PHE A 98 -2.625 -4.720 4.806 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.719 -2.701 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.525 -5.095 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.046 -4.189 7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.120 -1.875 8.469 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.682 -4.164 8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.332 -0.271 9.879 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.899 -2.559 9.407 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.725 -0.612 10.354 1.00 0.00 H new ATOM 1477 N VAL A 99 0.986 -4.051 4.530 1.00 0.00 N ATOM 1478 CA VAL A 99 1.987 -4.805 3.784 1.00 0.00 C ATOM 1479 C VAL A 99 3.388 -4.542 4.324 1.00 0.00 C ATOM 1480 O VAL A 99 3.706 -3.427 4.737 1.00 0.00 O ATOM 1481 CB VAL A 99 1.952 -4.452 2.285 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.293 -2.985 2.072 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.903 -5.348 1.505 1.00 0.00 C ATOM 0 H VAL A 99 1.192 -3.057 4.626 1.00 0.00 H new ATOM 0 HA VAL A 99 1.746 -5.861 3.907 1.00 0.00 H new ATOM 0 HB VAL A 99 0.941 -4.622 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.263 -2.755 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.569 -2.363 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.292 -2.784 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.866 -5.085 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.918 -5.212 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.607 -6.389 1.631 1.00 0.00 H new ATOM 1493 N ASN A 100 4.223 -5.576 4.316 1.00 0.00 N ATOM 1494 CA ASN A 100 5.592 -5.457 4.806 1.00 0.00 C ATOM 1495 C ASN A 100 6.586 -5.469 3.648 1.00 0.00 C ATOM 1496 O ASN A 100 6.382 -6.156 2.648 1.00 0.00 O ATOM 1497 CB ASN A 100 5.909 -6.595 5.777 1.00 0.00 C ATOM 1498 CG ASN A 100 4.961 -6.626 6.961 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.867 -6.065 6.908 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.379 -7.283 8.036 1.00 0.00 N ATOM 0 H ASN A 100 3.976 -6.505 3.976 1.00 0.00 H new ATOM 0 HA ASN A 100 5.683 -4.506 5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.856 -7.546 5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.932 -6.487 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.785 -7.338 8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.294 -7.733 8.035 1.00 0.00 H new ATOM 1507 N VAL A 101 7.663 -4.703 3.793 1.00 0.00 N ATOM 1508 CA VAL A 101 8.691 -4.627 2.761 1.00 0.00 C ATOM 1509 C VAL A 101 10.084 -4.566 3.377 1.00 0.00 C ATOM 1510 O VAL A 101 10.430 -3.606 4.066 1.00 0.00 O ATOM 1511 CB VAL A 101 8.488 -3.397 1.857 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.594 -3.310 0.817 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.121 -3.447 1.191 1.00 0.00 C ATOM 0 H VAL A 101 7.846 -4.127 4.614 1.00 0.00 H new ATOM 0 HA VAL A 101 8.602 -5.531 2.158 1.00 0.00 H new ATOM 0 HB VAL A 101 8.534 -2.501 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.434 -2.435 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.558 -3.225 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.584 -4.208 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.994 -2.571 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.045 -4.349 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.344 -3.457 1.955 1.00 0.00 H new ATOM 1523 N THR A 102 10.883 -5.599 3.124 1.00 0.00 N ATOM 1524 CA THR A 102 12.239 -5.664 3.653 1.00 0.00 C ATOM 1525 C THR A 102 13.271 -5.460 2.549 1.00 0.00 C ATOM 1526 O THR A 102 13.029 -5.796 1.390 1.00 0.00 O ATOM 1527 CB THR A 102 12.507 -7.012 4.348 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.679 -7.138 5.509 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.970 -7.135 4.745 1.00 0.00 C ATOM 0 H THR A 102 10.613 -6.402 2.556 1.00 0.00 H new ATOM 0 HA THR A 102 12.331 -4.862 4.385 1.00 0.00 H new ATOM 0 HB THR A 102 12.270 -7.811 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.854 -7.998 5.944 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.135 -8.095 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.595 -7.069 3.855 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.230 -6.329 5.431 1.00 0.00 H new ATOM 1537 N VAL A 103 14.423 -4.908 2.917 1.00 0.00 N ATOM 1538 CA VAL A 103 15.493 -4.662 1.957 1.00 0.00 C ATOM 1539 C VAL A 103 16.767 -5.398 2.354 1.00 0.00 C ATOM 1540 O VAL A 103 17.494 -4.967 3.249 1.00 0.00 O ATOM 1541 CB VAL A 103 15.800 -3.157 1.834 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.958 -2.926 0.876 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.562 -2.397 1.381 1.00 0.00 C ATOM 0 H VAL A 103 14.639 -4.623 3.872 1.00 0.00 H new ATOM 0 HA VAL A 103 15.147 -5.035 0.993 1.00 0.00 H new ATOM 0 HB VAL A 103 16.091 -2.781 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.161 -1.858 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.845 -3.439 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.699 -3.316 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.796 -1.336 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.239 -2.773 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.763 -2.537 2.109 1.00 0.00 H new ATOM 1553 N LYS A 104 17.033 -6.513 1.682 1.00 0.00 N ATOM 1554 CA LYS A 104 18.221 -7.311 1.961 1.00 0.00 C ATOM 1555 C LYS A 104 19.483 -6.586 1.503 1.00 0.00 C ATOM 1556 O LYS A 104 19.473 -5.822 0.538 1.00 0.00 O ATOM 1557 CB LYS A 104 18.122 -8.672 1.269 1.00 0.00 C ATOM 1558 CG LYS A 104 16.858 -9.440 1.616 1.00 0.00 C ATOM 1559 CD LYS A 104 16.948 -10.065 2.998 1.00 0.00 C ATOM 1560 CE LYS A 104 16.392 -9.136 4.067 1.00 0.00 C ATOM 1561 NZ LYS A 104 17.071 -9.330 5.378 1.00 0.00 N ATOM 0 H LYS A 104 16.441 -6.885 0.939 1.00 0.00 H new ATOM 0 HA LYS A 104 18.281 -7.463 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.163 -8.525 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.989 -9.273 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.000 -8.769 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.689 -10.220 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.397 -11.006 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.988 -10.301 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.511 -8.101 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.323 -9.313 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.664 -8.679 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.937 -10.311 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.087 -9.136 5.275 1.00 0.00 H new ATOM 1575 N PRO A 105 20.597 -6.832 2.209 1.00 0.00 N ATOM 1576 CA PRO A 105 21.888 -6.214 1.891 1.00 0.00 C ATOM 1577 C PRO A 105 22.479 -6.744 0.589 1.00 0.00 C ATOM 1578 O PRO A 105 22.313 -7.916 0.252 1.00 0.00 O ATOM 1579 CB PRO A 105 22.771 -6.608 3.078 1.00 0.00 C ATOM 1580 CG PRO A 105 22.162 -7.861 3.604 1.00 0.00 C ATOM 1581 CD PRO A 105 20.682 -7.732 3.371 1.00 0.00 C ATOM 0 HA PRO A 105 21.800 -5.137 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.803 -6.770 2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.786 -5.826 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.563 -8.735 3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.381 -7.986 4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.222 -8.698 3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.173 -7.315 4.240 1.00 0.00 H new ATOM 1589 N ALA A 106 23.169 -5.872 -0.139 1.00 0.00 N ATOM 1590 CA ALA A 106 23.787 -6.253 -1.403 1.00 0.00 C ATOM 1591 C ALA A 106 24.767 -7.406 -1.210 1.00 0.00 C ATOM 1592 O ALA A 106 25.844 -7.228 -0.640 1.00 0.00 O ATOM 1593 CB ALA A 106 24.492 -5.058 -2.027 1.00 0.00 C ATOM 0 H ALA A 106 23.314 -4.897 0.125 1.00 0.00 H new ATOM 0 HA ALA A 106 22.999 -6.589 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 106 24.949 -5.357 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.769 -4.264 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.264 -4.696 -1.348 1.00 0.00 H new