USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 560 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 373 CYS SG : rot 168:sc= -1.35 USER MOD Set 1.2: A 376 CYS SG : rot 103:sc= -0.185 USER MOD Set 1.3: A 393 CYS SG : rot 95:sc= -19.7! USER MOD Set 1.4: A 396 CYS SG : rot 145:sc= -18.3! USER MOD Set 2.1: A 392 MET CE :methyl 162:sc= -4.85 (180deg=-6.32!) USER MOD Set 2.2: A 408 CYS SG : rot -142:sc= -5.71! USER MOD Set 3.1: A 388 CYS SG : rot 174:sc= -1.63! USER MOD Set 3.2: A 390 HIS : no HE2:sc= -5.41! C(o=-5.2!,f=-16!) USER MOD Set 3.3: A 411 CYS SG : rot -156:sc= 1.84 USER MOD Set 4.1: A 368 SER OG : rot 180:sc= -0.116 USER MOD Set 4.2: A 374 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -69:sc= 0.601 USER MOD Single : A 352 HIS : no HE2:sc= -2.49! C(o=-2.5!,f=-4!) USER MOD Single : A 354 LYS NZ :NH3+ 140:sc= 0.812 (180deg=0.0801) USER MOD Single : A 356 THR OG1 : rot 176:sc= -1.41 USER MOD Single : A 357 GLN : amide:sc= -0.896 X(o=-0.9,f=-0.88) USER MOD Single : A 359 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 180:sc= -0.0613 USER MOD Single : A 366 MET CE :methyl -121:sc= 0 (180deg=-0.152) USER MOD Single : A 369 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 371 GLN : amide:sc= -7.45! C(o=-7.4!,f=-6!) USER MOD Single : A 379 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.5) USER MOD Single : A 381 LYS NZ :NH3+ 173:sc= 0.806 (180deg=0.753) USER MOD Single : A 384 LYS NZ :NH3+ 175:sc= -0.304 (180deg=-0.341) USER MOD Single : A 394 THR OG1 : rot 124:sc= 0.0267 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.7!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= -2.04 K(o=-2,f=-3.5!) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 47:sc= 0.0185 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 0.064 9.606 -1.363 1.00 55.41 N ATOM 64 CA SER A 350 -0.702 10.228 -0.296 1.00 54.34 C ATOM 65 C SER A 350 -2.098 10.600 -0.802 1.00 43.23 C ATOM 66 O SER A 350 -2.250 11.058 -1.934 1.00 0.33 O ATOM 67 CB SER A 350 0.013 11.467 0.246 1.00 43.04 C ATOM 68 OG SER A 350 1.217 11.131 0.931 1.00 14.13 O ATOM 0 HA SER A 350 -0.797 9.511 0.519 1.00 54.34 H new ATOM 0 HB2 SER A 350 0.241 12.143 -0.578 1.00 43.04 H new ATOM 0 HB3 SER A 350 -0.652 12.002 0.923 1.00 43.04 H new ATOM 0 HG SER A 350 1.000 10.667 1.766 1.00 14.13 H new ATOM 74 N ASP A 351 -3.081 10.389 0.061 1.00 43.35 N ATOM 75 CA ASP A 351 -4.458 10.697 -0.285 1.00 33.34 C ATOM 76 C ASP A 351 -4.817 12.083 0.253 1.00 11.35 C ATOM 77 O ASP A 351 -3.959 12.790 0.780 1.00 61.11 O ATOM 78 CB ASP A 351 -5.421 9.684 0.338 1.00 12.13 C ATOM 79 CG ASP A 351 -6.714 9.453 -0.447 1.00 43.02 C ATOM 80 OD1 ASP A 351 -6.812 9.803 -1.633 1.00 22.13 O ATOM 81 OD2 ASP A 351 -7.660 8.880 0.216 1.00 21.24 O ATOM 0 H ASP A 351 -2.951 10.009 0.999 1.00 43.35 H new ATOM 0 HA ASP A 351 -4.549 10.662 -1.371 1.00 33.34 H new ATOM 0 HB2 ASP A 351 -4.903 8.731 0.444 1.00 12.13 H new ATOM 0 HB3 ASP A 351 -5.679 10.020 1.342 1.00 12.13 H new ATOM 87 N HIS A 352 -6.087 12.431 0.103 1.00 44.13 N ATOM 88 CA HIS A 352 -6.570 13.721 0.567 1.00 65.51 C ATOM 89 C HIS A 352 -7.942 13.549 1.220 1.00 13.44 C ATOM 90 O HIS A 352 -8.771 12.778 0.739 1.00 11.24 O ATOM 91 CB HIS A 352 -6.579 14.740 -0.574 1.00 22.11 C ATOM 92 CG HIS A 352 -5.251 15.423 -0.798 1.00 64.32 C ATOM 93 ND1 HIS A 352 -4.595 16.131 0.194 1.00 41.14 N ATOM 94 CD2 HIS A 352 -4.463 15.497 -1.909 1.00 71.14 C ATOM 95 CE1 HIS A 352 -3.465 16.607 -0.309 1.00 72.34 C ATOM 96 NE2 HIS A 352 -3.386 16.213 -1.613 1.00 4.01 N ATOM 0 H HIS A 352 -6.796 11.842 -0.333 1.00 44.13 H new ATOM 0 HA HIS A 352 -5.893 14.117 1.324 1.00 65.51 H new ATOM 0 HB2 HIS A 352 -6.877 14.237 -1.494 1.00 22.11 H new ATOM 0 HB3 HIS A 352 -7.335 15.497 -0.365 1.00 22.11 H new ATOM 0 HD1 HIS A 352 -4.925 16.264 1.150 1.00 41.14 H new ATOM 0 HD2 HIS A 352 -4.679 15.049 -2.867 1.00 71.14 H new ATOM 0 HE1 HIS A 352 -2.735 17.202 0.220 1.00 72.34 H new ATOM 104 N ILE A 353 -8.140 14.282 2.307 1.00 73.43 N ATOM 105 CA ILE A 353 -9.398 14.221 3.031 1.00 33.33 C ATOM 106 C ILE A 353 -10.014 15.620 3.095 1.00 43.14 C ATOM 107 O ILE A 353 -9.304 16.619 2.989 1.00 54.45 O ATOM 108 CB ILE A 353 -9.196 13.575 4.404 1.00 45.44 C ATOM 109 CG1 ILE A 353 -9.017 12.061 4.277 1.00 53.14 C ATOM 110 CG2 ILE A 353 -10.337 13.940 5.355 1.00 3.52 C ATOM 111 CD1 ILE A 353 -10.372 11.354 4.207 1.00 71.41 C ATOM 0 H ILE A 353 -7.450 14.921 2.703 1.00 73.43 H new ATOM 0 HA ILE A 353 -10.109 13.583 2.505 1.00 33.33 H new ATOM 0 HB ILE A 353 -8.278 13.972 4.836 1.00 45.44 H new ATOM 0 HG12 ILE A 353 -8.437 11.833 3.383 1.00 53.14 H new ATOM 0 HG13 ILE A 353 -8.450 11.685 5.129 1.00 53.14 H new ATOM 0 HG21 ILE A 353 -10.169 13.468 6.323 1.00 3.52 H new ATOM 0 HG22 ILE A 353 -10.374 15.022 5.480 1.00 3.52 H new ATOM 0 HG23 ILE A 353 -11.282 13.590 4.940 1.00 3.52 H new ATOM 0 HD11 ILE A 353 -10.217 10.279 4.117 1.00 71.41 H new ATOM 0 HD12 ILE A 353 -10.939 11.564 5.114 1.00 71.41 H new ATOM 0 HD13 ILE A 353 -10.926 11.715 3.340 1.00 71.41 H new ATOM 123 N LYS A 354 -11.327 15.647 3.267 1.00 30.11 N ATOM 124 CA LYS A 354 -12.046 16.907 3.346 1.00 41.22 C ATOM 125 C LYS A 354 -12.800 16.977 4.675 1.00 1.23 C ATOM 126 O LYS A 354 -13.382 15.987 5.116 1.00 44.00 O ATOM 127 CB LYS A 354 -12.943 17.090 2.120 1.00 61.22 C ATOM 128 CG LYS A 354 -13.108 18.572 1.777 1.00 35.15 C ATOM 129 CD LYS A 354 -14.106 19.245 2.722 1.00 32.34 C ATOM 130 CE LYS A 354 -14.826 20.402 2.027 1.00 63.24 C ATOM 131 NZ LYS A 354 -15.954 20.884 2.855 1.00 65.21 N ATOM 0 H LYS A 354 -11.912 14.816 3.354 1.00 30.11 H new ATOM 0 HA LYS A 354 -11.349 17.745 3.330 1.00 41.22 H new ATOM 0 HB2 LYS A 354 -12.514 16.562 1.269 1.00 61.22 H new ATOM 0 HB3 LYS A 354 -13.920 16.646 2.311 1.00 61.22 H new ATOM 0 HG2 LYS A 354 -12.143 19.074 1.844 1.00 35.15 H new ATOM 0 HG3 LYS A 354 -13.450 18.675 0.747 1.00 35.15 H new ATOM 0 HD2 LYS A 354 -14.836 18.513 3.067 1.00 32.34 H new ATOM 0 HD3 LYS A 354 -13.584 19.615 3.604 1.00 32.34 H new ATOM 0 HE2 LYS A 354 -14.126 21.217 1.846 1.00 63.24 H new ATOM 0 HE3 LYS A 354 -15.195 20.077 1.054 1.00 63.24 H new ATOM 0 HZ1 LYS A 354 -15.997 21.922 2.812 1.00 65.21 H new ATOM 0 HZ2 LYS A 354 -16.844 20.485 2.495 1.00 65.21 H new ATOM 0 HZ3 LYS A 354 -15.814 20.584 3.841 1.00 65.21 H new ATOM 144 N VAL A 355 -12.765 18.157 5.277 1.00 33.02 N ATOM 145 CA VAL A 355 -13.438 18.369 6.547 1.00 11.15 C ATOM 146 C VAL A 355 -14.803 19.014 6.296 1.00 64.45 C ATOM 147 O VAL A 355 -14.970 19.766 5.337 1.00 12.11 O ATOM 148 CB VAL A 355 -12.549 19.196 7.479 1.00 72.22 C ATOM 149 CG1 VAL A 355 -13.350 19.734 8.666 1.00 21.44 C ATOM 150 CG2 VAL A 355 -11.345 18.381 7.954 1.00 63.54 C ATOM 0 H VAL A 355 -12.281 18.976 4.909 1.00 33.02 H new ATOM 0 HA VAL A 355 -13.615 17.417 7.048 1.00 11.15 H new ATOM 0 HB VAL A 355 -12.174 20.049 6.914 1.00 72.22 H new ATOM 0 HG11 VAL A 355 -12.695 20.318 9.312 1.00 21.44 H new ATOM 0 HG12 VAL A 355 -14.159 20.367 8.302 1.00 21.44 H new ATOM 0 HG13 VAL A 355 -13.768 18.901 9.231 1.00 21.44 H new ATOM 0 HG21 VAL A 355 -10.730 18.992 8.615 1.00 63.54 H new ATOM 0 HG22 VAL A 355 -11.692 17.500 8.493 1.00 63.54 H new ATOM 0 HG23 VAL A 355 -10.754 18.070 7.093 1.00 63.54 H new ATOM 160 N THR A 356 -15.743 18.695 7.173 1.00 61.02 N ATOM 161 CA THR A 356 -17.088 19.234 7.058 1.00 65.44 C ATOM 162 C THR A 356 -17.346 20.262 8.160 1.00 34.14 C ATOM 163 O THR A 356 -16.906 20.085 9.295 1.00 24.11 O ATOM 164 CB THR A 356 -18.070 18.061 7.077 1.00 21.14 C ATOM 165 OG1 THR A 356 -17.524 17.167 8.043 1.00 24.30 O ATOM 166 CG2 THR A 356 -18.051 17.259 5.774 1.00 0.04 C ATOM 0 H THR A 356 -15.600 18.070 7.966 1.00 61.02 H new ATOM 0 HA THR A 356 -17.221 19.772 6.119 1.00 65.44 H new ATOM 0 HB THR A 356 -19.078 18.435 7.258 1.00 21.14 H new ATOM 0 HG1 THR A 356 -18.129 16.405 8.162 1.00 24.30 H new ATOM 0 HG21 THR A 356 -18.766 16.439 5.841 1.00 0.04 H new ATOM 0 HG22 THR A 356 -18.322 17.909 4.942 1.00 0.04 H new ATOM 0 HG23 THR A 356 -17.052 16.857 5.609 1.00 0.04 H new ATOM 174 N GLN A 357 -18.060 21.314 7.788 1.00 13.14 N ATOM 175 CA GLN A 357 -18.383 22.371 8.732 1.00 72.01 C ATOM 176 C GLN A 357 -18.723 21.776 10.100 1.00 65.21 C ATOM 177 O GLN A 357 -18.443 22.384 11.132 1.00 64.40 O ATOM 178 CB GLN A 357 -19.531 23.239 8.212 1.00 61.34 C ATOM 179 CG GLN A 357 -19.009 24.343 7.290 1.00 11.35 C ATOM 180 CD GLN A 357 -19.923 25.570 7.333 1.00 61.31 C ATOM 181 OE1 GLN A 357 -20.517 25.968 6.344 1.00 4.13 O ATOM 182 NE2 GLN A 357 -20.002 26.144 8.530 1.00 54.01 N ATOM 0 H GLN A 357 -18.424 21.457 6.846 1.00 13.14 H new ATOM 0 HA GLN A 357 -17.508 23.011 8.843 1.00 72.01 H new ATOM 0 HB2 GLN A 357 -20.246 22.618 7.673 1.00 61.34 H new ATOM 0 HB3 GLN A 357 -20.065 23.684 9.052 1.00 61.34 H new ATOM 0 HG2 GLN A 357 -18.000 24.626 7.590 1.00 11.35 H new ATOM 0 HG3 GLN A 357 -18.944 23.969 6.268 1.00 11.35 H new ATOM 0 HE21 GLN A 357 -19.478 25.759 9.316 1.00 54.01 H new ATOM 0 HE22 GLN A 357 -20.587 26.969 8.662 1.00 54.01 H new ATOM 191 N GLU A 358 -19.321 20.594 10.064 1.00 43.13 N ATOM 192 CA GLU A 358 -19.701 19.910 11.288 1.00 51.11 C ATOM 193 C GLU A 358 -18.478 19.707 12.185 1.00 52.24 C ATOM 194 O GLU A 358 -18.491 20.090 13.353 1.00 3.15 O ATOM 195 CB GLU A 358 -20.383 18.575 10.981 1.00 53.51 C ATOM 196 CG GLU A 358 -19.452 17.652 10.192 1.00 14.42 C ATOM 197 CD GLU A 358 -20.244 16.554 9.479 1.00 11.24 C ATOM 198 OE1 GLU A 358 -20.972 15.792 10.132 1.00 32.33 O ATOM 199 OE2 GLU A 358 -20.084 16.509 8.200 1.00 2.12 O ATOM 0 H GLU A 358 -19.552 20.093 9.206 1.00 43.13 H new ATOM 0 HA GLU A 358 -20.419 20.533 11.821 1.00 51.11 H new ATOM 0 HB2 GLU A 358 -20.678 18.091 11.912 1.00 53.51 H new ATOM 0 HB3 GLU A 358 -21.295 18.751 10.411 1.00 53.51 H new ATOM 0 HG2 GLU A 358 -18.891 18.234 9.461 1.00 14.42 H new ATOM 0 HG3 GLU A 358 -18.724 17.201 10.866 1.00 14.42 H new ATOM 207 N GLN A 359 -17.451 19.105 11.603 1.00 10.31 N ATOM 208 CA GLN A 359 -16.223 18.847 12.335 1.00 64.00 C ATOM 209 C GLN A 359 -15.535 20.164 12.700 1.00 12.21 C ATOM 210 O GLN A 359 -14.744 20.216 13.640 1.00 23.31 O ATOM 211 CB GLN A 359 -15.285 17.944 11.531 1.00 32.32 C ATOM 212 CG GLN A 359 -16.039 16.741 10.960 1.00 41.01 C ATOM 213 CD GLN A 359 -15.107 15.539 10.794 1.00 35.53 C ATOM 214 OE1 GLN A 359 -15.405 14.429 11.205 1.00 30.12 O ATOM 215 NE2 GLN A 359 -13.967 15.820 10.171 1.00 23.40 N ATOM 0 H GLN A 359 -17.444 18.789 10.633 1.00 10.31 H new ATOM 0 HA GLN A 359 -16.476 18.324 13.257 1.00 64.00 H new ATOM 0 HB2 GLN A 359 -14.833 18.514 10.719 1.00 32.32 H new ATOM 0 HB3 GLN A 359 -14.471 17.599 12.169 1.00 32.32 H new ATOM 0 HG2 GLN A 359 -16.864 16.477 11.621 1.00 41.01 H new ATOM 0 HG3 GLN A 359 -16.474 17.004 9.996 1.00 41.01 H new ATOM 0 HE21 GLN A 359 -13.781 16.771 9.853 1.00 23.40 H new ATOM 0 HE22 GLN A 359 -13.278 15.085 10.011 1.00 23.40 H new ATOM 224 N TYR A 360 -15.863 21.197 11.937 1.00 23.14 N ATOM 225 CA TYR A 360 -15.287 22.511 12.169 1.00 63.31 C ATOM 226 C TYR A 360 -16.100 23.292 13.203 1.00 31.40 C ATOM 227 O TYR A 360 -15.580 24.198 13.851 1.00 2.15 O ATOM 228 CB TYR A 360 -15.353 23.243 10.827 1.00 71.40 C ATOM 229 CG TYR A 360 -14.570 24.557 10.796 1.00 74.34 C ATOM 230 CD1 TYR A 360 -13.287 24.608 11.301 1.00 12.04 C ATOM 231 CD2 TYR A 360 -15.147 25.691 10.262 1.00 73.05 C ATOM 232 CE1 TYR A 360 -12.550 25.845 11.272 1.00 75.11 C ATOM 233 CE2 TYR A 360 -14.411 26.928 10.232 1.00 65.10 C ATOM 234 CZ TYR A 360 -13.148 26.944 10.739 1.00 75.24 C ATOM 235 OH TYR A 360 -12.453 28.112 10.711 1.00 64.03 O ATOM 0 H TYR A 360 -16.520 21.151 11.158 1.00 23.14 H new ATOM 0 HA TYR A 360 -14.269 22.422 12.547 1.00 63.31 H new ATOM 0 HB2 TYR A 360 -14.970 22.585 10.047 1.00 71.40 H new ATOM 0 HB3 TYR A 360 -16.396 23.448 10.587 1.00 71.40 H new ATOM 0 HD1 TYR A 360 -12.835 23.720 11.718 1.00 12.04 H new ATOM 0 HD2 TYR A 360 -16.151 25.651 9.866 1.00 73.05 H new ATOM 0 HE1 TYR A 360 -11.545 25.899 11.665 1.00 75.11 H new ATOM 0 HE2 TYR A 360 -14.851 27.823 9.817 1.00 65.10 H new ATOM 0 HH TYR A 360 -13.004 28.811 10.301 1.00 64.03 H new ATOM 245 N GLU A 361 -17.363 22.911 13.325 1.00 55.42 N ATOM 246 CA GLU A 361 -18.254 23.565 14.269 1.00 21.31 C ATOM 247 C GLU A 361 -18.094 22.950 15.661 1.00 15.53 C ATOM 248 O GLU A 361 -17.917 23.669 16.644 1.00 62.31 O ATOM 249 CB GLU A 361 -19.707 23.485 13.798 1.00 72.43 C ATOM 250 CG GLU A 361 -19.981 24.504 12.690 1.00 15.13 C ATOM 251 CD GLU A 361 -20.519 25.813 13.271 1.00 12.43 C ATOM 252 OE1 GLU A 361 -19.954 26.340 14.241 1.00 22.44 O ATOM 253 OE2 GLU A 361 -21.563 26.285 12.678 1.00 41.31 O ATOM 0 H GLU A 361 -17.791 22.158 12.786 1.00 55.42 H new ATOM 0 HA GLU A 361 -17.983 24.619 14.325 1.00 21.31 H new ATOM 0 HB2 GLU A 361 -19.920 22.480 13.434 1.00 72.43 H new ATOM 0 HB3 GLU A 361 -20.376 23.668 14.639 1.00 72.43 H new ATOM 0 HG2 GLU A 361 -19.064 24.698 12.134 1.00 15.13 H new ATOM 0 HG3 GLU A 361 -20.701 24.093 11.982 1.00 15.13 H new ATOM 261 N LEU A 362 -18.164 21.628 15.701 1.00 23.01 N ATOM 262 CA LEU A 362 -18.029 20.909 16.957 1.00 72.04 C ATOM 263 C LEU A 362 -16.661 21.215 17.570 1.00 33.53 C ATOM 264 O LEU A 362 -16.517 21.410 18.777 1.00 2.35 O ATOM 265 CB LEU A 362 -18.291 19.416 16.750 1.00 63.24 C ATOM 266 CG LEU A 362 -19.746 19.019 16.493 1.00 61.01 C ATOM 267 CD1 LEU A 362 -20.525 20.172 15.857 1.00 45.12 C ATOM 268 CD2 LEU A 362 -19.826 17.742 15.654 1.00 32.34 C ATOM 0 H LEU A 362 -18.312 21.035 14.884 1.00 23.01 H new ATOM 0 HA LEU A 362 -18.781 21.245 17.671 1.00 72.04 H new ATOM 0 HB2 LEU A 362 -17.688 19.075 15.908 1.00 63.24 H new ATOM 0 HB3 LEU A 362 -17.939 18.880 17.632 1.00 63.24 H new ATOM 0 HG LEU A 362 -20.216 18.804 17.453 1.00 61.01 H new ATOM 0 HD11 LEU A 362 -21.556 19.863 15.685 1.00 45.12 H new ATOM 0 HD12 LEU A 362 -20.511 21.033 16.525 1.00 45.12 H new ATOM 0 HD13 LEU A 362 -20.064 20.442 14.907 1.00 45.12 H new ATOM 0 HD21 LEU A 362 -20.871 17.482 15.486 1.00 32.34 H new ATOM 0 HD22 LEU A 362 -19.334 17.905 14.695 1.00 32.34 H new ATOM 0 HD23 LEU A 362 -19.330 16.928 16.182 1.00 32.34 H new ATOM 304 N CYS A 364 -14.933 23.830 16.747 1.00 14.34 N ATOM 305 CA CYS A 364 -14.834 25.273 16.892 1.00 32.32 C ATOM 306 C CYS A 364 -14.936 25.614 18.380 1.00 3.21 C ATOM 307 O CYS A 364 -14.074 26.305 18.922 1.00 32.33 O ATOM 308 CB CYS A 364 -15.898 25.999 16.066 1.00 21.41 C ATOM 309 SG CYS A 364 -15.097 27.118 14.859 1.00 32.55 S ATOM 0 HA CYS A 364 -13.873 25.615 16.507 1.00 32.32 H new ATOM 0 HB2 CYS A 364 -16.522 25.274 15.544 1.00 21.41 H new ATOM 0 HB3 CYS A 364 -16.554 26.569 16.723 1.00 21.41 H new ATOM 0 HG CYS A 364 -16.009 27.728 14.161 1.00 32.55 H new ATOM 315 N GLU A 365 -15.996 25.115 18.998 1.00 21.22 N ATOM 316 CA GLU A 365 -16.221 25.358 20.413 1.00 51.42 C ATOM 317 C GLU A 365 -14.915 25.198 21.194 1.00 73.43 C ATOM 318 O GLU A 365 -14.374 26.173 21.712 1.00 63.11 O ATOM 319 CB GLU A 365 -17.307 24.431 20.963 1.00 65.02 C ATOM 320 CG GLU A 365 -18.688 24.837 20.447 1.00 53.44 C ATOM 321 CD GLU A 365 -19.306 25.923 21.330 1.00 41.41 C ATOM 322 OE1 GLU A 365 -20.005 26.812 20.822 1.00 54.32 O ATOM 323 OE2 GLU A 365 -19.038 25.821 22.588 1.00 42.24 O ATOM 0 H GLU A 365 -16.709 24.543 18.545 1.00 21.22 H new ATOM 0 HA GLU A 365 -16.570 26.383 20.534 1.00 51.42 H new ATOM 0 HB2 GLU A 365 -17.094 23.403 20.671 1.00 65.02 H new ATOM 0 HB3 GLU A 365 -17.299 24.462 22.053 1.00 65.02 H new ATOM 0 HG2 GLU A 365 -18.605 25.200 19.423 1.00 53.44 H new ATOM 0 HG3 GLU A 365 -19.342 23.966 20.425 1.00 53.44 H new ATOM 331 N MET A 366 -14.447 23.960 21.253 1.00 33.43 N ATOM 332 CA MET A 366 -13.215 23.659 21.962 1.00 31.43 C ATOM 333 C MET A 366 -12.052 24.491 21.418 1.00 71.51 C ATOM 334 O MET A 366 -11.130 24.833 22.157 1.00 52.34 O ATOM 335 CB MET A 366 -12.892 22.171 21.815 1.00 64.52 C ATOM 336 CG MET A 366 -12.791 21.775 20.340 1.00 21.12 C ATOM 337 SD MET A 366 -12.253 20.079 20.199 1.00 73.35 S ATOM 338 CE MET A 366 -13.772 19.237 20.612 1.00 21.41 C ATOM 0 H MET A 366 -14.899 23.154 20.821 1.00 33.43 H new ATOM 0 HA MET A 366 -13.353 23.907 23.014 1.00 31.43 H new ATOM 0 HB2 MET A 366 -11.952 21.947 22.320 1.00 64.52 H new ATOM 0 HB3 MET A 366 -13.665 21.577 22.303 1.00 64.52 H new ATOM 0 HG2 MET A 366 -13.759 21.900 19.854 1.00 21.12 H new ATOM 0 HG3 MET A 366 -12.089 22.432 19.826 1.00 21.12 H new ATOM 0 HE1 MET A 366 -13.610 18.601 21.482 1.00 21.41 H new ATOM 0 HE2 MET A 366 -14.545 19.971 20.838 1.00 21.41 H new ATOM 0 HE3 MET A 366 -14.089 18.624 19.768 1.00 21.41 H new ATOM 348 N GLY A 367 -12.133 24.791 20.130 1.00 12.11 N ATOM 349 CA GLY A 367 -11.099 25.576 19.478 1.00 1.33 C ATOM 350 C GLY A 367 -9.915 24.696 19.074 1.00 23.32 C ATOM 351 O GLY A 367 -8.767 25.011 19.386 1.00 53.13 O ATOM 0 H GLY A 367 -12.899 24.504 19.520 1.00 12.11 H new ATOM 0 HA2 GLY A 367 -11.511 26.065 18.595 1.00 1.33 H new ATOM 0 HA3 GLY A 367 -10.758 26.364 20.149 1.00 1.33 H new ATOM 355 N SER A 368 -10.234 23.609 18.387 1.00 41.13 N ATOM 356 CA SER A 368 -9.211 22.681 17.937 1.00 64.31 C ATOM 357 C SER A 368 -9.337 22.453 16.429 1.00 32.22 C ATOM 358 O SER A 368 -10.207 23.033 15.781 1.00 44.12 O ATOM 359 CB SER A 368 -9.307 21.350 18.685 1.00 75.52 C ATOM 360 OG SER A 368 -8.048 20.687 18.761 1.00 0.33 O ATOM 0 H SER A 368 -11.187 23.350 18.131 1.00 41.13 H new ATOM 0 HA SER A 368 -8.236 23.118 18.151 1.00 64.31 H new ATOM 0 HB2 SER A 368 -9.685 21.527 19.692 1.00 75.52 H new ATOM 0 HB3 SER A 368 -10.027 20.704 18.183 1.00 75.52 H new ATOM 0 HG SER A 368 -8.152 19.843 19.247 1.00 0.33 H new ATOM 366 N THR A 369 -8.457 21.606 15.915 1.00 1.51 N ATOM 367 CA THR A 369 -8.459 21.295 14.496 1.00 72.31 C ATOM 368 C THR A 369 -8.461 19.780 14.283 1.00 72.32 C ATOM 369 O THR A 369 -7.787 19.047 15.004 1.00 24.33 O ATOM 370 CB THR A 369 -7.260 21.997 13.856 1.00 60.33 C ATOM 371 OG1 THR A 369 -6.217 21.846 14.815 1.00 41.31 O ATOM 372 CG2 THR A 369 -7.455 23.511 13.752 1.00 62.35 C ATOM 0 H THR A 369 -7.738 21.126 16.456 1.00 1.51 H new ATOM 0 HA THR A 369 -9.364 21.661 14.012 1.00 72.31 H new ATOM 0 HB THR A 369 -7.086 21.585 12.862 1.00 60.33 H new ATOM 0 HG1 THR A 369 -5.400 22.272 14.480 1.00 41.31 H new ATOM 0 HG21 THR A 369 -6.575 23.960 13.291 1.00 62.35 H new ATOM 0 HG22 THR A 369 -8.333 23.724 13.142 1.00 62.35 H new ATOM 0 HG23 THR A 369 -7.596 23.929 14.749 1.00 62.35 H new ATOM 380 N PHE A 370 -9.227 19.355 13.289 1.00 54.23 N ATOM 381 CA PHE A 370 -9.326 17.941 12.971 1.00 33.35 C ATOM 382 C PHE A 370 -7.981 17.390 12.494 1.00 3.42 C ATOM 383 O PHE A 370 -7.356 16.585 13.183 1.00 71.24 O ATOM 384 CB PHE A 370 -10.349 17.806 11.841 1.00 4.22 C ATOM 385 CG PHE A 370 -10.438 16.399 11.247 1.00 33.15 C ATOM 386 CD1 PHE A 370 -10.946 15.379 11.990 1.00 71.22 C ATOM 387 CD2 PHE A 370 -10.010 16.168 9.977 1.00 12.13 C ATOM 388 CE1 PHE A 370 -11.030 14.073 11.439 1.00 65.33 C ATOM 389 CE2 PHE A 370 -10.094 14.862 9.426 1.00 4.13 C ATOM 390 CZ PHE A 370 -10.601 13.842 10.169 1.00 74.04 C ATOM 0 H PHE A 370 -9.785 19.966 12.693 1.00 54.23 H new ATOM 0 HA PHE A 370 -9.623 17.381 13.858 1.00 33.35 H new ATOM 0 HB2 PHE A 370 -11.331 18.093 12.217 1.00 4.22 H new ATOM 0 HB3 PHE A 370 -10.094 18.509 11.048 1.00 4.22 H new ATOM 0 HD1 PHE A 370 -11.285 15.562 12.999 1.00 71.22 H new ATOM 0 HD2 PHE A 370 -9.606 16.978 9.388 1.00 12.13 H new ATOM 0 HE1 PHE A 370 -11.434 13.263 12.028 1.00 65.33 H new ATOM 0 HE2 PHE A 370 -9.755 14.679 8.417 1.00 4.13 H new ATOM 0 HZ PHE A 370 -10.663 12.848 9.751 1.00 74.04 H new ATOM 400 N GLN A 371 -7.574 17.847 11.319 1.00 1.40 N ATOM 401 CA GLN A 371 -6.314 17.411 10.742 1.00 41.03 C ATOM 402 C GLN A 371 -5.244 17.294 11.829 1.00 32.42 C ATOM 403 O GLN A 371 -4.335 16.472 11.724 1.00 21.24 O ATOM 404 CB GLN A 371 -5.863 18.359 9.629 1.00 1.41 C ATOM 405 CG GLN A 371 -5.780 19.800 10.137 1.00 1.31 C ATOM 406 CD GLN A 371 -7.122 20.517 9.975 1.00 61.00 C ATOM 407 OE1 GLN A 371 -7.431 21.085 8.940 1.00 4.03 O ATOM 408 NE2 GLN A 371 -7.900 20.459 11.052 1.00 22.22 N ATOM 0 H GLN A 371 -8.095 18.515 10.751 1.00 1.40 H new ATOM 0 HA GLN A 371 -6.462 16.427 10.298 1.00 41.03 H new ATOM 0 HB2 GLN A 371 -4.889 18.046 9.252 1.00 1.41 H new ATOM 0 HB3 GLN A 371 -6.561 18.304 8.794 1.00 1.41 H new ATOM 0 HG2 GLN A 371 -5.487 19.803 11.187 1.00 1.31 H new ATOM 0 HG3 GLN A 371 -5.007 20.339 9.589 1.00 1.31 H new ATOM 0 HE21 GLN A 371 -7.580 19.967 11.886 1.00 22.22 H new ATOM 0 HE22 GLN A 371 -8.817 20.907 11.044 1.00 22.22 H new ATOM 417 N LEU A 372 -5.388 18.127 12.849 1.00 52.43 N ATOM 418 CA LEU A 372 -4.446 18.127 13.955 1.00 45.45 C ATOM 419 C LEU A 372 -4.677 16.885 14.817 1.00 73.24 C ATOM 420 O LEU A 372 -5.806 16.508 15.129 1.00 31.24 O ATOM 421 CB LEU A 372 -4.533 19.441 14.733 1.00 13.44 C ATOM 422 CG LEU A 372 -3.902 19.438 16.127 1.00 10.41 C ATOM 423 CD1 LEU A 372 -4.867 18.861 17.165 1.00 64.34 C ATOM 424 CD2 LEU A 372 -2.560 18.703 16.120 1.00 74.02 C ATOM 0 H LEU A 372 -6.144 18.807 12.933 1.00 52.43 H new ATOM 0 HA LEU A 372 -3.423 18.071 13.583 1.00 45.45 H new ATOM 0 HB2 LEU A 372 -4.056 20.223 14.142 1.00 13.44 H new ATOM 0 HB3 LEU A 372 -5.584 19.713 14.832 1.00 13.44 H new ATOM 0 HG LEU A 372 -3.702 20.470 16.413 1.00 10.41 H new ATOM 0 HD11 LEU A 372 -4.394 18.870 18.147 1.00 64.34 H new ATOM 0 HD12 LEU A 372 -5.774 19.465 17.194 1.00 64.34 H new ATOM 0 HD13 LEU A 372 -5.122 17.836 16.895 1.00 64.34 H new ATOM 0 HD21 LEU A 372 -2.133 18.716 17.123 1.00 74.02 H new ATOM 0 HD22 LEU A 372 -2.712 17.671 15.803 1.00 74.02 H new ATOM 0 HD23 LEU A 372 -1.878 19.198 15.429 1.00 74.02 H new ATOM 436 N CYS A 373 -3.572 16.251 15.197 1.00 33.11 N ATOM 437 CA CYS A 373 -3.625 15.050 16.021 1.00 22.24 C ATOM 438 C CYS A 373 -4.128 15.374 17.425 1.00 20.21 C ATOM 439 O CYS A 373 -3.638 16.322 18.036 1.00 2.20 O ATOM 440 CB CYS A 373 -2.242 14.400 16.101 1.00 34.51 C ATOM 441 SG CYS A 373 -1.005 15.391 16.999 1.00 14.11 S ATOM 0 H CYS A 373 -2.629 16.550 14.947 1.00 33.11 H new ATOM 0 HA CYS A 373 -4.322 14.352 15.557 1.00 22.24 H new ATOM 0 HB2 CYS A 373 -2.336 13.429 16.587 1.00 34.51 H new ATOM 0 HB3 CYS A 373 -1.880 14.216 15.090 1.00 34.51 H new ATOM 0 HG CYS A 373 0.044 14.662 17.239 1.00 14.11 H new ATOM 446 N LYS A 374 -5.084 14.589 17.899 1.00 14.35 N ATOM 447 CA LYS A 374 -5.640 14.804 19.225 1.00 54.44 C ATOM 448 C LYS A 374 -4.886 13.940 20.236 1.00 25.32 C ATOM 449 O LYS A 374 -5.451 13.524 21.247 1.00 65.04 O ATOM 450 CB LYS A 374 -7.151 14.565 19.217 1.00 35.30 C ATOM 451 CG LYS A 374 -7.837 15.419 18.149 1.00 42.04 C ATOM 452 CD LYS A 374 -7.615 16.910 18.413 1.00 64.42 C ATOM 453 CE LYS A 374 -8.369 17.765 17.393 1.00 2.43 C ATOM 454 NZ LYS A 374 -9.774 17.958 17.816 1.00 20.43 N ATOM 0 H LYS A 374 -5.488 13.803 17.389 1.00 14.35 H new ATOM 0 HA LYS A 374 -5.506 15.842 19.531 1.00 54.44 H new ATOM 0 HB2 LYS A 374 -7.355 13.511 19.030 1.00 35.30 H new ATOM 0 HB3 LYS A 374 -7.565 14.801 20.197 1.00 35.30 H new ATOM 0 HG2 LYS A 374 -7.448 15.158 17.165 1.00 42.04 H new ATOM 0 HG3 LYS A 374 -8.905 15.203 18.137 1.00 42.04 H new ATOM 0 HD2 LYS A 374 -7.950 17.159 19.420 1.00 64.42 H new ATOM 0 HD3 LYS A 374 -6.550 17.137 18.366 1.00 64.42 H new ATOM 0 HE2 LYS A 374 -7.879 18.733 17.288 1.00 2.43 H new ATOM 0 HE3 LYS A 374 -8.340 17.285 16.415 1.00 2.43 H new ATOM 0 HZ1 LYS A 374 -10.271 18.540 17.113 1.00 20.43 H new ATOM 0 HZ2 LYS A 374 -10.243 17.033 17.894 1.00 20.43 H new ATOM 0 HZ3 LYS A 374 -9.796 18.436 18.739 1.00 20.43 H new ATOM 467 N ILE A 375 -3.620 13.694 19.929 1.00 12.53 N ATOM 468 CA ILE A 375 -2.782 12.887 20.799 1.00 31.21 C ATOM 469 C ILE A 375 -1.769 13.790 21.506 1.00 33.52 C ATOM 470 O ILE A 375 -1.746 13.860 22.734 1.00 21.41 O ATOM 471 CB ILE A 375 -2.141 11.741 20.013 1.00 53.31 C ATOM 472 CG1 ILE A 375 -3.192 10.715 19.585 1.00 71.04 C ATOM 473 CG2 ILE A 375 -1.004 11.099 20.809 1.00 23.23 C ATOM 474 CD1 ILE A 375 -2.532 9.469 18.992 1.00 24.52 C ATOM 0 H ILE A 375 -3.155 14.040 19.090 1.00 12.53 H new ATOM 0 HA ILE A 375 -3.383 12.414 21.575 1.00 31.21 H new ATOM 0 HB ILE A 375 -1.704 12.153 19.103 1.00 53.31 H new ATOM 0 HG12 ILE A 375 -3.802 10.434 20.444 1.00 71.04 H new ATOM 0 HG13 ILE A 375 -3.862 11.161 18.850 1.00 71.04 H new ATOM 0 HG21 ILE A 375 -0.566 10.288 20.228 1.00 23.23 H new ATOM 0 HG22 ILE A 375 -0.240 11.847 21.021 1.00 23.23 H new ATOM 0 HG23 ILE A 375 -1.394 10.704 21.747 1.00 23.23 H new ATOM 0 HD11 ILE A 375 -3.301 8.756 18.696 1.00 24.52 H new ATOM 0 HD12 ILE A 375 -1.942 9.750 18.119 1.00 24.52 H new ATOM 0 HD13 ILE A 375 -1.881 9.012 19.738 1.00 24.52 H new ATOM 486 N CYS A 376 -0.957 14.458 20.701 1.00 62.22 N ATOM 487 CA CYS A 376 0.056 15.353 21.234 1.00 13.21 C ATOM 488 C CYS A 376 -0.382 16.793 20.957 1.00 61.22 C ATOM 489 O CYS A 376 0.046 17.719 21.644 1.00 65.22 O ATOM 490 CB CYS A 376 1.438 15.055 20.651 1.00 25.32 C ATOM 491 SG CYS A 376 1.810 13.277 20.429 1.00 20.41 S ATOM 0 H CYS A 376 -0.980 14.398 19.683 1.00 62.22 H new ATOM 0 HA CYS A 376 0.148 15.202 22.310 1.00 13.21 H new ATOM 0 HB2 CYS A 376 1.525 15.553 19.685 1.00 25.32 H new ATOM 0 HB3 CYS A 376 2.194 15.491 21.304 1.00 25.32 H new ATOM 0 HG CYS A 376 1.680 12.960 19.175 1.00 20.41 H new ATOM 496 N ALA A 377 -1.230 16.936 19.949 1.00 63.03 N ATOM 497 CA ALA A 377 -1.730 18.247 19.572 1.00 0.21 C ATOM 498 C ALA A 377 -0.549 19.168 19.257 1.00 31.24 C ATOM 499 O ALA A 377 -0.540 20.331 19.657 1.00 35.02 O ATOM 500 CB ALA A 377 -2.615 18.797 20.692 1.00 35.12 C ATOM 0 H ALA A 377 -1.583 16.165 19.382 1.00 63.03 H new ATOM 0 HA ALA A 377 -2.344 18.180 18.674 1.00 0.21 H new ATOM 0 HB1 ALA A 377 -2.990 19.781 20.409 1.00 35.12 H new ATOM 0 HB2 ALA A 377 -3.455 18.122 20.857 1.00 35.12 H new ATOM 0 HB3 ALA A 377 -2.031 18.881 21.609 1.00 35.12 H new ATOM 506 N GLU A 378 0.419 18.612 18.544 1.00 41.33 N ATOM 507 CA GLU A 378 1.602 19.369 18.171 1.00 63.12 C ATOM 508 C GLU A 378 1.790 19.346 16.652 1.00 0.35 C ATOM 509 O GLU A 378 2.112 20.368 16.048 1.00 2.01 O ATOM 510 CB GLU A 378 2.844 18.832 18.885 1.00 62.32 C ATOM 511 CG GLU A 378 4.015 19.809 18.759 1.00 33.00 C ATOM 512 CD GLU A 378 3.780 21.058 19.611 1.00 24.35 C ATOM 513 OE1 GLU A 378 4.037 21.037 20.825 1.00 53.35 O ATOM 514 OE2 GLU A 378 3.316 22.076 18.970 1.00 15.14 O ATOM 0 H GLU A 378 0.409 17.647 18.215 1.00 41.33 H new ATOM 0 HA GLU A 378 1.461 20.403 18.485 1.00 63.12 H new ATOM 0 HB2 GLU A 378 2.618 18.664 19.938 1.00 62.32 H new ATOM 0 HB3 GLU A 378 3.123 17.868 18.461 1.00 62.32 H new ATOM 0 HG2 GLU A 378 4.937 19.319 19.072 1.00 33.00 H new ATOM 0 HG3 GLU A 378 4.144 20.095 17.715 1.00 33.00 H new ATOM 522 N ASN A 379 1.580 18.170 16.080 1.00 44.23 N ATOM 523 CA ASN A 379 1.722 18.001 14.644 1.00 45.24 C ATOM 524 C ASN A 379 0.403 17.490 14.062 1.00 61.14 C ATOM 525 O ASN A 379 -0.507 17.124 14.804 1.00 24.22 O ATOM 526 CB ASN A 379 2.812 16.979 14.314 1.00 21.14 C ATOM 527 CG ASN A 379 4.045 17.188 15.196 1.00 11.40 C ATOM 528 OD1 ASN A 379 4.370 18.292 15.601 1.00 10.32 O ATOM 529 ND2 ASN A 379 4.711 16.070 15.469 1.00 12.14 N ATOM 0 H ASN A 379 1.313 17.325 16.585 1.00 44.23 H new ATOM 0 HA ASN A 379 1.992 18.967 14.216 1.00 45.24 H new ATOM 0 HB2 ASN A 379 2.425 15.970 14.457 1.00 21.14 H new ATOM 0 HB3 ASN A 379 3.092 17.067 13.264 1.00 21.14 H new ATOM 0 HD21 ASN A 379 5.549 16.104 16.050 1.00 12.14 H new ATOM 0 HD22 ASN A 379 4.384 15.178 15.098 1.00 12.14 H new ATOM 536 N ASP A 380 0.341 17.481 12.738 1.00 10.12 N ATOM 537 CA ASP A 380 -0.852 17.021 12.048 1.00 61.30 C ATOM 538 C ASP A 380 -0.818 15.495 11.942 1.00 64.22 C ATOM 539 O ASP A 380 0.238 14.882 12.096 1.00 73.12 O ATOM 540 CB ASP A 380 -0.923 17.592 10.630 1.00 20.24 C ATOM 541 CG ASP A 380 0.349 17.417 9.798 1.00 1.34 C ATOM 542 OD1 ASP A 380 0.570 18.135 8.812 1.00 63.13 O ATOM 543 OD2 ASP A 380 1.143 16.486 10.205 1.00 22.44 O ATOM 0 H ASP A 380 1.098 17.785 12.125 1.00 10.12 H new ATOM 0 HA ASP A 380 -1.720 17.356 12.616 1.00 61.30 H new ATOM 0 HB2 ASP A 380 -1.751 17.117 10.104 1.00 20.24 H new ATOM 0 HB3 ASP A 380 -1.154 18.655 10.694 1.00 20.24 H new ATOM 549 N LYS A 381 -1.985 14.925 11.679 1.00 2.45 N ATOM 550 CA LYS A 381 -2.102 13.483 11.551 1.00 64.21 C ATOM 551 C LYS A 381 -1.289 13.015 10.342 1.00 40.42 C ATOM 552 O LYS A 381 -0.418 12.156 10.469 1.00 10.23 O ATOM 553 CB LYS A 381 -3.573 13.067 11.501 1.00 71.30 C ATOM 554 CG LYS A 381 -4.314 13.519 12.761 1.00 40.52 C ATOM 555 CD LYS A 381 -5.779 13.833 12.452 1.00 13.13 C ATOM 556 CE LYS A 381 -6.667 13.554 13.667 1.00 52.33 C ATOM 557 NZ LYS A 381 -8.083 13.851 13.353 1.00 62.22 N ATOM 0 H LYS A 381 -2.858 15.437 11.551 1.00 2.45 H new ATOM 0 HA LYS A 381 -1.684 12.988 12.428 1.00 64.21 H new ATOM 0 HB2 LYS A 381 -4.047 13.501 10.621 1.00 71.30 H new ATOM 0 HB3 LYS A 381 -3.645 11.984 11.401 1.00 71.30 H new ATOM 0 HG2 LYS A 381 -4.258 12.739 13.520 1.00 40.52 H new ATOM 0 HG3 LYS A 381 -3.829 14.402 13.176 1.00 40.52 H new ATOM 0 HD2 LYS A 381 -5.877 14.878 12.158 1.00 13.13 H new ATOM 0 HD3 LYS A 381 -6.113 13.231 11.607 1.00 13.13 H new ATOM 0 HE2 LYS A 381 -6.566 12.511 13.967 1.00 52.33 H new ATOM 0 HE3 LYS A 381 -6.340 14.162 14.511 1.00 52.33 H new ATOM 0 HZ1 LYS A 381 -8.685 13.546 14.144 1.00 62.22 H new ATOM 0 HZ2 LYS A 381 -8.198 14.874 13.204 1.00 62.22 H new ATOM 0 HZ3 LYS A 381 -8.361 13.342 12.490 1.00 62.22 H new ATOM 570 N ASP A 382 -1.603 13.602 9.196 1.00 63.32 N ATOM 571 CA ASP A 382 -0.912 13.256 7.965 1.00 54.12 C ATOM 572 C ASP A 382 -0.948 11.738 7.774 1.00 4.43 C ATOM 573 O ASP A 382 -0.078 11.172 7.114 1.00 31.31 O ATOM 574 CB ASP A 382 0.553 13.693 8.014 1.00 61.52 C ATOM 575 CG ASP A 382 1.479 12.762 8.799 1.00 21.42 C ATOM 576 OD1 ASP A 382 1.942 11.735 8.281 1.00 74.44 O ATOM 577 OD2 ASP A 382 1.725 13.132 10.010 1.00 5.10 O ATOM 0 H ASP A 382 -2.326 14.314 9.094 1.00 63.32 H new ATOM 0 HA ASP A 382 -1.413 13.767 7.142 1.00 54.12 H new ATOM 0 HB2 ASP A 382 0.926 13.776 6.993 1.00 61.52 H new ATOM 0 HB3 ASP A 382 0.605 14.689 8.454 1.00 61.52 H new ATOM 583 N VAL A 383 -1.962 11.123 8.364 1.00 1.45 N ATOM 584 CA VAL A 383 -2.122 9.682 8.268 1.00 1.41 C ATOM 585 C VAL A 383 -3.602 9.327 8.418 1.00 34.20 C ATOM 586 O VAL A 383 -4.433 10.201 8.661 1.00 21.10 O ATOM 587 CB VAL A 383 -1.232 8.987 9.301 1.00 74.13 C ATOM 588 CG1 VAL A 383 -1.981 8.781 10.619 1.00 60.20 C ATOM 589 CG2 VAL A 383 -0.699 7.659 8.759 1.00 33.13 C ATOM 0 H VAL A 383 -2.681 11.596 8.911 1.00 1.45 H new ATOM 0 HA VAL A 383 -1.800 9.326 7.289 1.00 1.41 H new ATOM 0 HB VAL A 383 -0.378 9.635 9.499 1.00 74.13 H new ATOM 0 HG11 VAL A 383 -1.326 8.285 11.336 1.00 60.20 H new ATOM 0 HG12 VAL A 383 -2.289 9.748 11.017 1.00 60.20 H new ATOM 0 HG13 VAL A 383 -2.862 8.163 10.444 1.00 60.20 H new ATOM 0 HG21 VAL A 383 -0.069 7.185 9.512 1.00 33.13 H new ATOM 0 HG22 VAL A 383 -1.535 7.002 8.519 1.00 33.13 H new ATOM 0 HG23 VAL A 383 -0.112 7.843 7.859 1.00 33.13 H new ATOM 599 N LYS A 384 -3.888 8.042 8.267 1.00 63.22 N ATOM 600 CA LYS A 384 -5.254 7.560 8.382 1.00 24.24 C ATOM 601 C LYS A 384 -5.238 6.051 8.638 1.00 4.54 C ATOM 602 O LYS A 384 -4.409 5.333 8.082 1.00 22.43 O ATOM 603 CB LYS A 384 -6.071 7.967 7.155 1.00 60.44 C ATOM 604 CG LYS A 384 -7.465 7.336 7.190 1.00 3.34 C ATOM 605 CD LYS A 384 -8.395 8.004 6.176 1.00 43.25 C ATOM 606 CE LYS A 384 -9.770 7.334 6.168 1.00 61.41 C ATOM 607 NZ LYS A 384 -10.710 8.089 5.311 1.00 52.44 N ATOM 0 H LYS A 384 -3.197 7.320 8.066 1.00 63.22 H new ATOM 0 HA LYS A 384 -5.751 8.023 9.234 1.00 24.24 H new ATOM 0 HB2 LYS A 384 -6.160 9.053 7.117 1.00 60.44 H new ATOM 0 HB3 LYS A 384 -5.551 7.658 6.248 1.00 60.44 H new ATOM 0 HG2 LYS A 384 -7.391 6.270 6.974 1.00 3.34 H new ATOM 0 HG3 LYS A 384 -7.885 7.430 8.191 1.00 3.34 H new ATOM 0 HD2 LYS A 384 -8.503 9.061 6.418 1.00 43.25 H new ATOM 0 HD3 LYS A 384 -7.954 7.948 5.181 1.00 43.25 H new ATOM 0 HE2 LYS A 384 -9.680 6.310 5.805 1.00 61.41 H new ATOM 0 HE3 LYS A 384 -10.160 7.279 7.184 1.00 61.41 H new ATOM 0 HZ1 LYS A 384 -11.612 7.575 5.249 1.00 52.44 H new ATOM 0 HZ2 LYS A 384 -10.875 9.030 5.722 1.00 52.44 H new ATOM 0 HZ3 LYS A 384 -10.305 8.193 4.359 1.00 52.44 H new ATOM 620 N ILE A 385 -6.163 5.617 9.480 1.00 34.35 N ATOM 621 CA ILE A 385 -6.266 4.207 9.817 1.00 72.10 C ATOM 622 C ILE A 385 -7.515 3.619 9.157 1.00 51.12 C ATOM 623 O ILE A 385 -8.569 4.253 9.140 1.00 72.23 O ATOM 624 CB ILE A 385 -6.224 4.014 11.334 1.00 30.32 C ATOM 625 CG1 ILE A 385 -4.949 4.616 11.928 1.00 31.13 C ATOM 626 CG2 ILE A 385 -6.387 2.538 11.704 1.00 70.13 C ATOM 627 CD1 ILE A 385 -3.749 3.696 11.697 1.00 44.15 C ATOM 0 H ILE A 385 -6.848 6.217 9.939 1.00 34.35 H new ATOM 0 HA ILE A 385 -5.409 3.659 9.425 1.00 72.10 H new ATOM 0 HB ILE A 385 -7.067 4.550 11.770 1.00 30.32 H new ATOM 0 HG12 ILE A 385 -4.758 5.589 11.476 1.00 31.13 H new ATOM 0 HG13 ILE A 385 -5.084 4.781 12.997 1.00 31.13 H new ATOM 0 HG21 ILE A 385 -6.353 2.429 12.788 1.00 70.13 H new ATOM 0 HG22 ILE A 385 -7.344 2.173 11.332 1.00 70.13 H new ATOM 0 HG23 ILE A 385 -5.579 1.959 11.256 1.00 70.13 H new ATOM 0 HD11 ILE A 385 -2.856 4.148 12.129 1.00 44.15 H new ATOM 0 HD12 ILE A 385 -3.933 2.732 12.171 1.00 44.15 H new ATOM 0 HD13 ILE A 385 -3.601 3.552 10.627 1.00 44.15 H new ATOM 639 N GLU A 386 -7.355 2.414 8.629 1.00 11.42 N ATOM 640 CA GLU A 386 -8.457 1.734 7.969 1.00 4.14 C ATOM 641 C GLU A 386 -8.476 0.254 8.358 1.00 45.32 C ATOM 642 O GLU A 386 -7.475 -0.279 8.834 1.00 64.12 O ATOM 643 CB GLU A 386 -8.374 1.901 6.451 1.00 44.31 C ATOM 644 CG GLU A 386 -9.285 3.034 5.973 1.00 21.33 C ATOM 645 CD GLU A 386 -10.290 2.528 4.937 1.00 52.25 C ATOM 646 OE1 GLU A 386 -11.409 3.056 4.849 1.00 42.11 O ATOM 647 OE2 GLU A 386 -9.874 1.551 4.204 1.00 3.24 O ATOM 0 H GLU A 386 -6.479 1.891 8.645 1.00 11.42 H new ATOM 0 HA GLU A 386 -9.390 2.189 8.301 1.00 4.14 H new ATOM 0 HB2 GLU A 386 -7.345 2.110 6.160 1.00 44.31 H new ATOM 0 HB3 GLU A 386 -8.660 0.969 5.963 1.00 44.31 H new ATOM 0 HG2 GLU A 386 -9.817 3.461 6.823 1.00 21.33 H new ATOM 0 HG3 GLU A 386 -8.682 3.833 5.541 1.00 21.33 H new ATOM 655 N PRO A 387 -9.656 -0.384 8.134 1.00 3.45 N ATOM 656 CA PRO A 387 -10.792 0.322 7.567 1.00 12.14 C ATOM 657 C PRO A 387 -11.444 1.237 8.606 1.00 4.13 C ATOM 658 O PRO A 387 -12.340 2.027 8.311 1.00 32.42 O ATOM 659 CB PRO A 387 -11.725 -0.770 7.070 1.00 41.04 C ATOM 660 CG PRO A 387 -11.300 -2.040 7.788 1.00 61.41 C ATOM 661 CD PRO A 387 -9.938 -1.788 8.415 1.00 75.21 C ATOM 0 HA PRO A 387 -10.509 0.988 6.752 1.00 12.14 H new ATOM 0 HB2 PRO A 387 -12.764 -0.526 7.290 1.00 41.04 H new ATOM 0 HB3 PRO A 387 -11.648 -0.888 5.989 1.00 41.04 H new ATOM 0 HG2 PRO A 387 -12.029 -2.308 8.553 1.00 61.41 H new ATOM 0 HG3 PRO A 387 -11.250 -2.875 7.089 1.00 61.41 H new ATOM 0 HD2 PRO A 387 -9.954 -1.982 9.487 1.00 75.21 H new ATOM 0 HD3 PRO A 387 -9.177 -2.439 7.984 1.00 75.21 H new ATOM 669 N CYS A 388 -10.968 1.113 9.842 1.00 70.44 N ATOM 670 CA CYS A 388 -11.485 1.914 10.945 1.00 65.54 C ATOM 671 C CYS A 388 -11.824 3.327 10.480 1.00 65.25 C ATOM 672 O CYS A 388 -13.003 3.651 10.349 1.00 20.22 O ATOM 673 CB CYS A 388 -10.464 1.971 12.083 1.00 71.22 C ATOM 674 SG CYS A 388 -10.955 3.049 13.467 1.00 4.21 S ATOM 0 H CYS A 388 -10.225 0.465 10.104 1.00 70.44 H new ATOM 0 HA CYS A 388 -12.398 1.441 11.307 1.00 65.54 H new ATOM 0 HB2 CYS A 388 -10.301 0.962 12.462 1.00 71.22 H new ATOM 0 HB3 CYS A 388 -9.511 2.320 11.685 1.00 71.22 H new ATOM 0 HG CYS A 388 -10.097 2.929 14.436 1.00 4.21 H new ATOM 679 N GLY A 389 -10.795 4.128 10.243 1.00 22.40 N ATOM 680 CA GLY A 389 -10.998 5.495 9.797 1.00 52.34 C ATOM 681 C GLY A 389 -10.482 6.494 10.835 1.00 63.52 C ATOM 682 O GLY A 389 -10.825 7.674 10.791 1.00 73.20 O ATOM 0 H GLY A 389 -9.818 3.856 10.352 1.00 22.40 H new ATOM 0 HA2 GLY A 389 -10.483 5.652 8.849 1.00 52.34 H new ATOM 0 HA3 GLY A 389 -12.059 5.668 9.616 1.00 52.34 H new ATOM 686 N HIS A 390 -9.665 5.983 11.744 1.00 3.13 N ATOM 687 CA HIS A 390 -9.097 6.815 12.792 1.00 55.11 C ATOM 688 C HIS A 390 -7.809 7.468 12.288 1.00 63.54 C ATOM 689 O HIS A 390 -6.945 6.793 11.729 1.00 4.51 O ATOM 690 CB HIS A 390 -8.891 6.007 14.075 1.00 44.53 C ATOM 691 CG HIS A 390 -10.165 5.724 14.834 1.00 3.12 C ATOM 692 ND1 HIS A 390 -10.273 4.703 15.762 1.00 72.32 N ATOM 693 CD2 HIS A 390 -11.382 6.339 14.794 1.00 5.15 C ATOM 694 CE1 HIS A 390 -11.504 4.711 16.251 1.00 13.32 C ATOM 695 NE2 HIS A 390 -12.190 5.726 15.650 1.00 22.21 N ATOM 0 H HIS A 390 -9.383 5.003 11.777 1.00 3.13 H new ATOM 0 HA HIS A 390 -9.793 7.615 13.044 1.00 55.11 H new ATOM 0 HB2 HIS A 390 -8.412 5.061 13.823 1.00 44.53 H new ATOM 0 HB3 HIS A 390 -8.205 6.548 14.726 1.00 44.53 H new ATOM 0 HD1 HIS A 390 -9.531 4.055 16.025 1.00 72.32 H new ATOM 0 HD2 HIS A 390 -11.644 7.182 14.171 1.00 5.15 H new ATOM 0 HE1 HIS A 390 -11.896 4.033 16.995 1.00 13.32 H new ATOM 703 N LEU A 391 -7.720 8.772 12.503 1.00 73.11 N ATOM 704 CA LEU A 391 -6.552 9.523 12.077 1.00 4.13 C ATOM 705 C LEU A 391 -5.638 9.762 13.281 1.00 30.11 C ATOM 706 O LEU A 391 -6.071 9.646 14.426 1.00 14.44 O ATOM 707 CB LEU A 391 -6.972 10.808 11.360 1.00 33.51 C ATOM 708 CG LEU A 391 -8.228 10.710 10.491 1.00 43.01 C ATOM 709 CD1 LEU A 391 -8.141 9.519 9.535 1.00 74.30 C ATOM 710 CD2 LEU A 391 -9.490 10.662 11.354 1.00 20.01 C ATOM 0 H LEU A 391 -8.438 9.328 12.967 1.00 73.11 H new ATOM 0 HA LEU A 391 -5.978 8.952 11.348 1.00 4.13 H new ATOM 0 HB2 LEU A 391 -7.132 11.583 12.109 1.00 33.51 H new ATOM 0 HB3 LEU A 391 -6.144 11.138 10.732 1.00 33.51 H new ATOM 0 HG LEU A 391 -8.291 11.610 9.879 1.00 43.01 H new ATOM 0 HD11 LEU A 391 -9.046 9.472 8.929 1.00 74.30 H new ATOM 0 HD12 LEU A 391 -7.274 9.637 8.885 1.00 74.30 H new ATOM 0 HD13 LEU A 391 -8.041 8.598 10.109 1.00 74.30 H new ATOM 0 HD21 LEU A 391 -10.368 10.593 10.711 1.00 20.01 H new ATOM 0 HD22 LEU A 391 -9.450 9.792 12.009 1.00 20.01 H new ATOM 0 HD23 LEU A 391 -9.553 11.568 11.957 1.00 20.01 H new ATOM 722 N MET A 392 -4.390 10.091 12.980 1.00 32.45 N ATOM 723 CA MET A 392 -3.412 10.347 14.024 1.00 63.43 C ATOM 724 C MET A 392 -2.089 10.832 13.428 1.00 62.15 C ATOM 725 O MET A 392 -1.930 10.868 12.208 1.00 4.54 O ATOM 726 CB MET A 392 -3.172 9.065 14.824 1.00 5.12 C ATOM 727 CG MET A 392 -2.579 7.968 13.938 1.00 64.03 C ATOM 728 SD MET A 392 -2.644 6.398 14.784 1.00 63.31 S ATOM 729 CE MET A 392 -4.409 6.228 14.987 1.00 0.35 C ATOM 0 H MET A 392 -4.034 10.186 12.029 1.00 32.45 H new ATOM 0 HA MET A 392 -3.802 11.127 14.678 1.00 63.43 H new ATOM 0 HB2 MET A 392 -2.497 9.271 15.654 1.00 5.12 H new ATOM 0 HB3 MET A 392 -4.112 8.720 15.256 1.00 5.12 H new ATOM 0 HG2 MET A 392 -3.131 7.908 13.000 1.00 64.03 H new ATOM 0 HG3 MET A 392 -1.547 8.212 13.685 1.00 64.03 H new ATOM 0 HE1 MET A 392 -4.652 5.187 15.200 1.00 0.35 H new ATOM 0 HE2 MET A 392 -4.742 6.855 15.814 1.00 0.35 H new ATOM 0 HE3 MET A 392 -4.912 6.538 14.071 1.00 0.35 H new ATOM 739 N CYS A 393 -1.174 11.192 14.315 1.00 5.40 N ATOM 740 CA CYS A 393 0.131 11.674 13.892 1.00 75.12 C ATOM 741 C CYS A 393 1.113 10.502 13.936 1.00 72.35 C ATOM 742 O CYS A 393 1.338 9.915 14.993 1.00 74.21 O ATOM 743 CB CYS A 393 0.605 12.849 14.749 1.00 23.33 C ATOM 744 SG CYS A 393 0.481 12.580 16.555 1.00 13.32 S ATOM 0 H CYS A 393 -1.310 11.160 15.325 1.00 5.40 H new ATOM 0 HA CYS A 393 0.068 12.056 12.873 1.00 75.12 H new ATOM 0 HB2 CYS A 393 1.643 13.068 14.499 1.00 23.33 H new ATOM 0 HB3 CYS A 393 0.021 13.731 14.486 1.00 23.33 H new ATOM 0 HG CYS A 393 1.623 12.159 17.010 1.00 13.32 H new ATOM 749 N THR A 394 1.672 10.196 12.774 1.00 74.21 N ATOM 750 CA THR A 394 2.625 9.104 12.666 1.00 14.22 C ATOM 751 C THR A 394 3.619 9.148 13.828 1.00 43.32 C ATOM 752 O THR A 394 3.722 8.195 14.598 1.00 24.11 O ATOM 753 CB THR A 394 3.291 9.192 11.292 1.00 51.22 C ATOM 754 OG1 THR A 394 2.199 9.199 10.376 1.00 10.14 O ATOM 755 CG2 THR A 394 4.068 7.923 10.935 1.00 11.24 C ATOM 0 H THR A 394 1.483 10.685 11.899 1.00 74.21 H new ATOM 0 HA THR A 394 2.129 8.136 12.740 1.00 14.22 H new ATOM 0 HB THR A 394 3.965 10.049 11.270 1.00 51.22 H new ATOM 0 HG1 THR A 394 2.253 9.996 9.808 1.00 10.14 H new ATOM 0 HG21 THR A 394 4.521 8.039 9.950 1.00 11.24 H new ATOM 0 HG22 THR A 394 4.849 7.754 11.676 1.00 11.24 H new ATOM 0 HG23 THR A 394 3.388 7.071 10.924 1.00 11.24 H new ATOM 763 N SER A 395 4.327 10.265 13.917 1.00 14.11 N ATOM 764 CA SER A 395 5.310 10.446 14.972 1.00 54.13 C ATOM 765 C SER A 395 4.742 9.957 16.306 1.00 61.44 C ATOM 766 O SER A 395 5.476 9.430 17.141 1.00 51.22 O ATOM 767 CB SER A 395 5.736 11.911 15.082 1.00 53.31 C ATOM 768 OG SER A 395 6.652 12.280 14.054 1.00 33.32 O ATOM 0 H SER A 395 4.239 11.053 13.276 1.00 14.11 H new ATOM 0 HA SER A 395 6.192 9.857 14.722 1.00 54.13 H new ATOM 0 HB2 SER A 395 4.854 12.550 15.028 1.00 53.31 H new ATOM 0 HB3 SER A 395 6.195 12.083 16.055 1.00 53.31 H new ATOM 0 HG SER A 395 6.898 13.223 14.158 1.00 33.32 H new ATOM 774 N CYS A 396 3.441 10.148 16.464 1.00 33.42 N ATOM 775 CA CYS A 396 2.766 9.732 17.682 1.00 3.13 C ATOM 776 C CYS A 396 2.590 8.213 17.640 1.00 65.11 C ATOM 777 O CYS A 396 3.058 7.505 18.530 1.00 5.24 O ATOM 778 CB CYS A 396 1.431 10.456 17.865 1.00 51.33 C ATOM 779 SG CYS A 396 1.377 12.151 17.176 1.00 13.04 S ATOM 0 H CYS A 396 2.836 10.585 15.769 1.00 33.42 H new ATOM 0 HA CYS A 396 3.372 10.003 18.546 1.00 3.13 H new ATOM 0 HB2 CYS A 396 0.645 9.863 17.397 1.00 51.33 H new ATOM 0 HB3 CYS A 396 1.203 10.504 18.930 1.00 51.33 H new ATOM 0 HG CYS A 396 0.189 12.391 16.706 1.00 13.04 H new ATOM 784 N LEU A 397 1.915 7.756 16.596 1.00 53.33 N ATOM 785 CA LEU A 397 1.671 6.334 16.425 1.00 23.05 C ATOM 786 C LEU A 397 2.941 5.558 16.781 1.00 32.44 C ATOM 787 O LEU A 397 2.870 4.492 17.391 1.00 23.42 O ATOM 788 CB LEU A 397 1.148 6.045 15.017 1.00 21.32 C ATOM 789 CG LEU A 397 1.107 4.571 14.606 1.00 11.44 C ATOM 790 CD1 LEU A 397 2.517 4.033 14.354 1.00 14.02 C ATOM 791 CD2 LEU A 397 0.350 3.735 15.640 1.00 24.12 C ATOM 0 H LEU A 397 1.529 8.346 15.859 1.00 53.33 H new ATOM 0 HA LEU A 397 0.889 5.997 17.105 1.00 23.05 H new ATOM 0 HB2 LEU A 397 0.141 6.453 14.934 1.00 21.32 H new ATOM 0 HB3 LEU A 397 1.770 6.584 14.302 1.00 21.32 H new ATOM 0 HG LEU A 397 0.560 4.493 13.666 1.00 11.44 H new ATOM 0 HD11 LEU A 397 2.460 2.984 14.064 1.00 14.02 H new ATOM 0 HD12 LEU A 397 2.987 4.606 13.555 1.00 14.02 H new ATOM 0 HD13 LEU A 397 3.110 4.126 15.264 1.00 14.02 H new ATOM 0 HD21 LEU A 397 0.335 2.692 15.324 1.00 24.12 H new ATOM 0 HD22 LEU A 397 0.847 3.815 16.607 1.00 24.12 H new ATOM 0 HD23 LEU A 397 -0.673 4.102 15.727 1.00 24.12 H new ATOM 803 N THR A 398 4.072 6.122 16.385 1.00 10.24 N ATOM 804 CA THR A 398 5.355 5.496 16.655 1.00 43.30 C ATOM 805 C THR A 398 5.571 5.350 18.163 1.00 41.15 C ATOM 806 O THR A 398 5.974 4.289 18.636 1.00 71.55 O ATOM 807 CB THR A 398 6.440 6.325 15.963 1.00 31.34 C ATOM 808 OG1 THR A 398 6.354 5.936 14.595 1.00 12.31 O ATOM 809 CG2 THR A 398 7.851 5.907 16.381 1.00 3.12 C ATOM 0 H THR A 398 4.127 7.006 15.879 1.00 10.24 H new ATOM 0 HA THR A 398 5.393 4.483 16.254 1.00 43.30 H new ATOM 0 HB THR A 398 6.291 7.381 16.191 1.00 31.34 H new ATOM 0 HG1 THR A 398 7.022 6.427 14.073 1.00 12.31 H new ATOM 0 HG21 THR A 398 8.583 6.526 15.862 1.00 3.12 H new ATOM 0 HG22 THR A 398 7.965 6.036 17.457 1.00 3.12 H new ATOM 0 HG23 THR A 398 8.012 4.860 16.122 1.00 3.12 H new ATOM 817 N ALA A 399 5.293 6.432 18.875 1.00 24.13 N ATOM 818 CA ALA A 399 5.452 6.437 20.320 1.00 40.53 C ATOM 819 C ALA A 399 4.573 5.343 20.929 1.00 1.42 C ATOM 820 O ALA A 399 4.811 4.906 22.054 1.00 71.00 O ATOM 821 CB ALA A 399 5.116 7.827 20.865 1.00 73.20 C ATOM 0 H ALA A 399 4.959 7.311 18.479 1.00 24.13 H new ATOM 0 HA ALA A 399 6.484 6.220 20.594 1.00 40.53 H new ATOM 0 HB1 ALA A 399 5.235 7.832 21.948 1.00 73.20 H new ATOM 0 HB2 ALA A 399 5.788 8.563 20.423 1.00 73.20 H new ATOM 0 HB3 ALA A 399 4.086 8.078 20.612 1.00 73.20 H new ATOM 827 N TRP A 400 3.576 4.933 20.160 1.00 72.13 N ATOM 828 CA TRP A 400 2.660 3.898 20.610 1.00 42.32 C ATOM 829 C TRP A 400 3.276 2.540 20.268 1.00 42.24 C ATOM 830 O TRP A 400 3.610 1.763 21.161 1.00 52.12 O ATOM 831 CB TRP A 400 1.270 4.094 20.002 1.00 51.21 C ATOM 832 CG TRP A 400 0.462 2.802 19.866 1.00 64.22 C ATOM 833 CD1 TRP A 400 0.205 2.103 18.752 1.00 52.44 C ATOM 834 CD2 TRP A 400 -0.186 2.077 20.932 1.00 55.11 C ATOM 835 NE1 TRP A 400 -0.560 0.986 19.020 1.00 4.23 N ATOM 836 CE2 TRP A 400 -0.805 0.970 20.388 1.00 21.34 C ATOM 837 CE3 TRP A 400 -0.249 2.348 22.310 1.00 4.31 C ATOM 838 CZ2 TRP A 400 -1.530 0.045 21.150 1.00 1.41 C ATOM 839 CZ3 TRP A 400 -0.977 1.415 23.058 1.00 40.14 C ATOM 840 CH2 TRP A 400 -1.605 0.295 22.525 1.00 15.35 C ATOM 0 H TRP A 400 3.382 5.298 19.228 1.00 72.13 H new ATOM 0 HA TRP A 400 2.516 3.953 21.689 1.00 42.32 H new ATOM 0 HB2 TRP A 400 0.711 4.797 20.619 1.00 51.21 H new ATOM 0 HB3 TRP A 400 1.376 4.549 19.017 1.00 51.21 H new ATOM 0 HD1 TRP A 400 0.553 2.379 17.768 1.00 52.44 H new ATOM 0 HE1 TRP A 400 -0.885 0.299 18.340 1.00 4.23 H new ATOM 0 HE3 TRP A 400 0.227 3.208 22.757 1.00 4.31 H new ATOM 0 HZ2 TRP A 400 -2.005 -0.814 20.701 1.00 1.41 H new ATOM 0 HZ3 TRP A 400 -1.056 1.576 24.123 1.00 40.14 H new ATOM 0 HH2 TRP A 400 -2.149 -0.380 23.170 1.00 15.35 H new ATOM 851 N GLN A 401 3.409 2.296 18.972 1.00 34.22 N ATOM 852 CA GLN A 401 3.979 1.045 18.501 1.00 53.11 C ATOM 853 C GLN A 401 5.326 0.787 19.179 1.00 33.10 C ATOM 854 O GLN A 401 5.821 -0.339 19.174 1.00 3.23 O ATOM 855 CB GLN A 401 4.123 1.048 16.978 1.00 62.12 C ATOM 856 CG GLN A 401 2.758 0.928 16.297 1.00 1.43 C ATOM 857 CD GLN A 401 2.516 -0.499 15.801 1.00 13.43 C ATOM 858 OE1 GLN A 401 3.429 -1.291 15.640 1.00 44.22 O ATOM 859 NE2 GLN A 401 1.237 -0.781 15.569 1.00 11.15 N ATOM 0 H GLN A 401 3.132 2.943 18.234 1.00 34.22 H new ATOM 0 HA GLN A 401 3.300 0.235 18.767 1.00 53.11 H new ATOM 0 HB2 GLN A 401 4.614 1.967 16.658 1.00 62.12 H new ATOM 0 HB3 GLN A 401 4.762 0.221 16.668 1.00 62.12 H new ATOM 0 HG2 GLN A 401 1.972 1.212 16.997 1.00 1.43 H new ATOM 0 HG3 GLN A 401 2.704 1.622 15.459 1.00 1.43 H new ATOM 0 HE21 GLN A 401 0.522 -0.071 15.725 1.00 11.15 H new ATOM 0 HE22 GLN A 401 0.971 -1.708 15.235 1.00 11.15 H new ATOM 868 N GLU A 402 5.880 1.848 19.746 1.00 52.40 N ATOM 869 CA GLU A 402 7.160 1.751 20.427 1.00 72.23 C ATOM 870 C GLU A 402 7.266 0.417 21.168 1.00 64.51 C ATOM 871 O GLU A 402 8.124 -0.407 20.851 1.00 11.45 O ATOM 872 CB GLU A 402 7.363 2.927 21.384 1.00 41.25 C ATOM 873 CG GLU A 402 8.278 3.986 20.764 1.00 14.02 C ATOM 874 CD GLU A 402 9.740 3.538 20.803 1.00 1.15 C ATOM 875 OE1 GLU A 402 10.193 2.820 19.900 1.00 71.22 O ATOM 876 OE2 GLU A 402 10.414 3.964 21.818 1.00 74.20 O ATOM 0 H GLU A 402 5.466 2.780 19.748 1.00 52.40 H new ATOM 0 HA GLU A 402 7.952 1.794 19.679 1.00 72.23 H new ATOM 0 HB2 GLU A 402 6.399 3.372 21.629 1.00 41.25 H new ATOM 0 HB3 GLU A 402 7.795 2.570 22.319 1.00 41.25 H new ATOM 0 HG2 GLU A 402 7.978 4.172 19.733 1.00 14.02 H new ATOM 0 HG3 GLU A 402 8.168 4.927 21.303 1.00 14.02 H new ATOM 884 N SER A 403 6.383 0.244 22.140 1.00 21.03 N ATOM 885 CA SER A 403 6.367 -0.976 22.929 1.00 62.30 C ATOM 886 C SER A 403 5.007 -1.666 22.799 1.00 45.31 C ATOM 887 O SER A 403 4.901 -2.877 22.984 1.00 64.13 O ATOM 888 CB SER A 403 6.677 -0.686 24.399 1.00 73.11 C ATOM 889 OG SER A 403 8.071 -0.778 24.679 1.00 32.32 O ATOM 0 H SER A 403 5.673 0.929 22.399 1.00 21.03 H new ATOM 0 HA SER A 403 7.142 -1.640 22.547 1.00 62.30 H new ATOM 0 HB2 SER A 403 6.321 0.312 24.654 1.00 73.11 H new ATOM 0 HB3 SER A 403 6.133 -1.389 25.030 1.00 73.11 H new ATOM 0 HG SER A 403 8.228 -0.584 25.627 1.00 32.32 H new ATOM 895 N ASP A 404 4.001 -0.864 22.482 1.00 64.03 N ATOM 896 CA ASP A 404 2.653 -1.382 22.325 1.00 52.33 C ATOM 897 C ASP A 404 2.504 -1.990 20.929 1.00 51.34 C ATOM 898 O ASP A 404 2.827 -3.158 20.719 1.00 42.34 O ATOM 899 CB ASP A 404 1.615 -0.267 22.468 1.00 12.01 C ATOM 900 CG ASP A 404 1.302 0.144 23.908 1.00 3.33 C ATOM 901 OD1 ASP A 404 1.635 1.258 24.341 1.00 31.30 O ATOM 902 OD2 ASP A 404 0.682 -0.745 24.607 1.00 75.23 O ATOM 0 H ASP A 404 4.093 0.140 22.330 1.00 64.03 H new ATOM 0 HA ASP A 404 2.487 -2.131 23.099 1.00 52.33 H new ATOM 0 HB2 ASP A 404 1.968 0.609 21.925 1.00 12.01 H new ATOM 0 HB3 ASP A 404 0.690 -0.588 21.989 1.00 12.01 H new ATOM 908 N GLY A 405 2.014 -1.170 20.010 1.00 2.12 N ATOM 909 CA GLY A 405 1.818 -1.612 18.640 1.00 24.31 C ATOM 910 C GLY A 405 0.672 -2.622 18.548 1.00 3.32 C ATOM 911 O GLY A 405 0.676 -3.493 17.680 1.00 52.00 O ATOM 0 H GLY A 405 1.747 -0.202 20.188 1.00 2.12 H new ATOM 0 HA2 GLY A 405 1.602 -0.753 18.004 1.00 24.31 H new ATOM 0 HA3 GLY A 405 2.736 -2.064 18.265 1.00 24.31 H new ATOM 915 N GLN A 406 -0.281 -2.471 19.456 1.00 40.42 N ATOM 916 CA GLN A 406 -1.431 -3.358 19.488 1.00 30.12 C ATOM 917 C GLN A 406 -2.574 -2.776 18.654 1.00 33.14 C ATOM 918 O GLN A 406 -3.605 -2.382 19.197 1.00 11.25 O ATOM 919 CB GLN A 406 -1.880 -3.621 20.927 1.00 74.12 C ATOM 920 CG GLN A 406 -2.479 -5.022 21.067 1.00 73.02 C ATOM 921 CD GLN A 406 -3.664 -5.210 20.116 1.00 5.52 C ATOM 922 OE1 GLN A 406 -4.605 -4.434 20.096 1.00 33.20 O ATOM 923 NE2 GLN A 406 -3.564 -6.279 19.332 1.00 22.22 N ATOM 0 H GLN A 406 -0.280 -1.748 20.175 1.00 40.42 H new ATOM 0 HA GLN A 406 -1.141 -4.314 19.052 1.00 30.12 H new ATOM 0 HB2 GLN A 406 -1.030 -3.516 21.602 1.00 74.12 H new ATOM 0 HB3 GLN A 406 -2.617 -2.875 21.224 1.00 74.12 H new ATOM 0 HG2 GLN A 406 -1.716 -5.771 20.855 1.00 73.02 H new ATOM 0 HG3 GLN A 406 -2.804 -5.181 22.095 1.00 73.02 H new ATOM 0 HE21 GLN A 406 -2.748 -6.887 19.401 1.00 22.22 H new ATOM 0 HE22 GLN A 406 -4.303 -6.491 18.662 1.00 22.22 H new ATOM 932 N GLY A 407 -2.353 -2.741 17.348 1.00 14.15 N ATOM 933 CA GLY A 407 -3.352 -2.214 16.434 1.00 13.34 C ATOM 934 C GLY A 407 -3.611 -0.729 16.701 1.00 22.43 C ATOM 935 O GLY A 407 -2.851 -0.083 17.421 1.00 50.01 O ATOM 0 H GLY A 407 -1.497 -3.069 16.901 1.00 14.15 H new ATOM 0 HA2 GLY A 407 -3.017 -2.349 15.406 1.00 13.34 H new ATOM 0 HA3 GLY A 407 -4.281 -2.774 16.543 1.00 13.34 H new ATOM 939 N CYS A 408 -4.686 -0.233 16.107 1.00 44.40 N ATOM 940 CA CYS A 408 -5.054 1.163 16.271 1.00 3.45 C ATOM 941 C CYS A 408 -5.200 1.449 17.767 1.00 22.45 C ATOM 942 O CYS A 408 -5.980 0.792 18.455 1.00 20.20 O ATOM 943 CB CYS A 408 -6.328 1.507 15.498 1.00 52.32 C ATOM 944 SG CYS A 408 -6.442 3.247 14.940 1.00 22.45 S ATOM 0 H CYS A 408 -5.314 -0.773 15.511 1.00 44.40 H new ATOM 0 HA CYS A 408 -4.272 1.799 15.855 1.00 3.45 H new ATOM 0 HB2 CYS A 408 -6.394 0.856 14.626 1.00 52.32 H new ATOM 0 HB3 CYS A 408 -7.189 1.285 16.128 1.00 52.32 H new ATOM 0 HG CYS A 408 -7.670 3.659 15.050 1.00 22.45 H new ATOM 949 N PRO A 409 -4.417 2.455 18.240 1.00 45.11 N ATOM 950 CA PRO A 409 -4.451 2.835 19.642 1.00 52.32 C ATOM 951 C PRO A 409 -5.721 3.625 19.965 1.00 51.45 C ATOM 952 O PRO A 409 -5.926 4.040 21.104 1.00 21.44 O ATOM 953 CB PRO A 409 -3.180 3.638 19.863 1.00 3.13 C ATOM 954 CG PRO A 409 -2.715 4.072 18.483 1.00 62.24 C ATOM 955 CD PRO A 409 -3.481 3.255 17.455 1.00 63.21 C ATOM 0 HA PRO A 409 -4.484 1.975 20.310 1.00 52.32 H new ATOM 0 HB2 PRO A 409 -3.370 4.502 20.501 1.00 3.13 H new ATOM 0 HB3 PRO A 409 -2.419 3.036 20.360 1.00 3.13 H new ATOM 0 HG2 PRO A 409 -2.896 5.137 18.336 1.00 62.24 H new ATOM 0 HG3 PRO A 409 -1.642 3.913 18.374 1.00 62.24 H new ATOM 0 HD2 PRO A 409 -4.006 3.899 16.749 1.00 63.21 H new ATOM 0 HD3 PRO A 409 -2.811 2.622 16.873 1.00 63.21 H new ATOM 963 N PHE A 410 -6.541 3.810 18.940 1.00 2.52 N ATOM 964 CA PHE A 410 -7.785 4.543 19.100 1.00 12.45 C ATOM 965 C PHE A 410 -8.937 3.598 19.448 1.00 53.52 C ATOM 966 O PHE A 410 -9.777 3.920 20.287 1.00 22.24 O ATOM 967 CB PHE A 410 -8.082 5.219 17.760 1.00 1.23 C ATOM 968 CG PHE A 410 -7.392 6.573 17.580 1.00 65.44 C ATOM 969 CD1 PHE A 410 -6.155 6.781 18.106 1.00 30.03 C ATOM 970 CD2 PHE A 410 -8.014 7.567 16.892 1.00 13.33 C ATOM 971 CE1 PHE A 410 -5.514 8.037 17.939 1.00 54.04 C ATOM 972 CE2 PHE A 410 -7.374 8.823 16.725 1.00 44.44 C ATOM 973 CZ PHE A 410 -6.137 9.032 17.251 1.00 31.33 C ATOM 0 H PHE A 410 -6.368 3.465 17.996 1.00 2.52 H new ATOM 0 HA PHE A 410 -7.688 5.268 19.908 1.00 12.45 H new ATOM 0 HB2 PHE A 410 -7.772 4.555 16.953 1.00 1.23 H new ATOM 0 HB3 PHE A 410 -9.159 5.356 17.665 1.00 1.23 H new ATOM 0 HD1 PHE A 410 -5.660 5.991 18.651 1.00 30.03 H new ATOM 0 HD2 PHE A 410 -8.995 7.401 16.472 1.00 13.33 H new ATOM 0 HE1 PHE A 410 -4.532 8.202 18.358 1.00 54.04 H new ATOM 0 HE2 PHE A 410 -7.869 9.613 16.180 1.00 44.44 H new ATOM 0 HZ PHE A 410 -5.650 9.987 17.123 1.00 31.33 H new ATOM 983 N CYS A 411 -8.940 2.452 18.784 1.00 34.33 N ATOM 984 CA CYS A 411 -9.976 1.458 19.012 1.00 24.13 C ATOM 985 C CYS A 411 -9.302 0.152 19.440 1.00 53.23 C ATOM 986 O CYS A 411 -9.922 -0.910 19.405 1.00 4.01 O ATOM 987 CB CYS A 411 -10.859 1.267 17.777 1.00 5.24 C ATOM 988 SG CYS A 411 -10.019 1.571 16.180 1.00 74.12 S ATOM 0 H CYS A 411 -8.242 2.189 18.088 1.00 34.33 H new ATOM 0 HA CYS A 411 -10.643 1.799 19.804 1.00 24.13 H new ATOM 0 HB2 CYS A 411 -11.248 0.249 17.779 1.00 5.24 H new ATOM 0 HB3 CYS A 411 -11.717 1.935 17.854 1.00 5.24 H new ATOM 0 HG CYS A 411 -10.902 1.881 15.277 1.00 74.12 H new ATOM 993 N ARG A 412 -8.043 0.274 19.833 1.00 40.22 N ATOM 994 CA ARG A 412 -7.279 -0.883 20.266 1.00 21.24 C ATOM 995 C ARG A 412 -7.613 -2.096 19.396 1.00 33.42 C ATOM 996 O ARG A 412 -7.555 -3.233 19.862 1.00 74.54 O ATOM 997 CB ARG A 412 -7.570 -1.219 21.730 1.00 13.54 C ATOM 998 CG ARG A 412 -6.412 -1.999 22.355 1.00 1.33 C ATOM 999 CD ARG A 412 -5.205 -1.090 22.594 1.00 5.35 C ATOM 1000 NE ARG A 412 -4.324 -1.679 23.628 1.00 72.00 N ATOM 1001 CZ ARG A 412 -4.508 -1.525 24.956 1.00 11.34 C ATOM 1002 NH1 ARG A 412 -5.544 -0.797 25.425 1.00 51.12 N ATOM 1003 NH2 ARG A 412 -3.659 -2.096 25.791 1.00 54.14 N ATOM 0 H ARG A 412 -7.533 1.157 19.861 1.00 40.22 H new ATOM 0 HA ARG A 412 -6.222 -0.639 20.164 1.00 21.24 H new ATOM 0 HB2 ARG A 412 -7.739 -0.300 22.291 1.00 13.54 H new ATOM 0 HB3 ARG A 412 -8.486 -1.806 21.797 1.00 13.54 H new ATOM 0 HG2 ARG A 412 -6.733 -2.439 23.299 1.00 1.33 H new ATOM 0 HG3 ARG A 412 -6.128 -2.822 21.700 1.00 1.33 H new ATOM 0 HD2 ARG A 412 -4.650 -0.956 21.665 1.00 5.35 H new ATOM 0 HD3 ARG A 412 -5.540 -0.102 22.910 1.00 5.35 H new ATOM 0 HE ARG A 412 -3.528 -2.236 23.317 1.00 72.00 H new ATOM 0 HH11 ARG A 412 -6.195 -0.358 24.774 1.00 51.12 H new ATOM 0 HH12 ARG A 412 -5.675 -0.686 26.430 1.00 51.12 H new ATOM 0 HH21 ARG A 412 -2.878 -2.644 25.429 1.00 54.14 H new ATOM 0 HH22 ARG A 412 -3.784 -1.989 26.798 1.00 54.14 H new ATOM 1016 N CYS A 413 -7.956 -1.813 18.148 1.00 1.11 N ATOM 1017 CA CYS A 413 -8.300 -2.867 17.209 1.00 45.24 C ATOM 1018 C CYS A 413 -7.209 -2.930 16.138 1.00 63.13 C ATOM 1019 O CYS A 413 -6.681 -1.900 15.723 1.00 42.44 O ATOM 1020 CB CYS A 413 -9.686 -2.651 16.599 1.00 51.11 C ATOM 1021 SG CYS A 413 -10.316 -4.222 15.904 1.00 22.41 S ATOM 0 H CYS A 413 -8.003 -0.869 17.765 1.00 1.11 H new ATOM 0 HA CYS A 413 -8.351 -3.822 17.732 1.00 45.24 H new ATOM 0 HB2 CYS A 413 -10.373 -2.279 17.359 1.00 51.11 H new ATOM 0 HB3 CYS A 413 -9.634 -1.893 15.817 1.00 51.11 H new ATOM 0 HG CYS A 413 -11.494 -4.028 15.391 1.00 22.41 H new ATOM 1027 N GLU A 414 -6.903 -4.150 15.721 1.00 33.21 N ATOM 1028 CA GLU A 414 -5.885 -4.361 14.706 1.00 22.44 C ATOM 1029 C GLU A 414 -6.151 -3.469 13.493 1.00 53.41 C ATOM 1030 O GLU A 414 -7.275 -3.013 13.288 1.00 74.55 O ATOM 1031 CB GLU A 414 -5.814 -5.834 14.299 1.00 74.35 C ATOM 1032 CG GLU A 414 -4.952 -6.016 13.048 1.00 70.31 C ATOM 1033 CD GLU A 414 -4.755 -7.500 12.729 1.00 54.33 C ATOM 1034 OE1 GLU A 414 -5.403 -8.028 11.812 1.00 5.31 O ATOM 1035 OE2 GLU A 414 -3.893 -8.108 13.471 1.00 12.42 O ATOM 0 H GLU A 414 -7.342 -5.003 16.068 1.00 33.21 H new ATOM 0 HA GLU A 414 -4.918 -4.087 15.127 1.00 22.44 H new ATOM 0 HB2 GLU A 414 -5.401 -6.422 15.119 1.00 74.35 H new ATOM 0 HB3 GLU A 414 -6.819 -6.212 14.111 1.00 74.35 H new ATOM 0 HG2 GLU A 414 -5.424 -5.518 12.201 1.00 70.31 H new ATOM 0 HG3 GLU A 414 -3.983 -5.541 13.198 1.00 70.31 H new ATOM 1043 N ILE A 415 -5.098 -3.245 12.720 1.00 14.34 N ATOM 1044 CA ILE A 415 -5.205 -2.414 11.533 1.00 64.43 C ATOM 1045 C ILE A 415 -5.061 -3.292 10.288 1.00 72.13 C ATOM 1046 O ILE A 415 -4.490 -4.380 10.353 1.00 51.51 O ATOM 1047 CB ILE A 415 -4.199 -1.263 11.592 1.00 11.34 C ATOM 1048 CG1 ILE A 415 -4.003 -0.781 13.031 1.00 5.51 C ATOM 1049 CG2 ILE A 415 -4.613 -0.124 10.658 1.00 72.32 C ATOM 1050 CD1 ILE A 415 -3.085 0.443 13.079 1.00 54.23 C ATOM 0 H ILE A 415 -4.167 -3.624 12.893 1.00 14.34 H new ATOM 0 HA ILE A 415 -6.188 -1.946 11.483 1.00 64.43 H new ATOM 0 HB ILE A 415 -3.236 -1.633 11.241 1.00 11.34 H new ATOM 0 HG12 ILE A 415 -4.969 -0.533 13.470 1.00 5.51 H new ATOM 0 HG13 ILE A 415 -3.576 -1.584 13.632 1.00 5.51 H new ATOM 0 HG21 ILE A 415 -3.881 0.681 10.719 1.00 72.32 H new ATOM 0 HG22 ILE A 415 -4.662 -0.493 9.634 1.00 72.32 H new ATOM 0 HG23 ILE A 415 -5.592 0.252 10.955 1.00 72.32 H new ATOM 0 HD11 ILE A 415 -2.962 0.765 14.113 1.00 54.23 H new ATOM 0 HD12 ILE A 415 -2.112 0.185 12.662 1.00 54.23 H new ATOM 0 HD13 ILE A 415 -3.526 1.252 12.497 1.00 54.23 H new ATOM 1062 N LYS A 416 -5.589 -2.787 9.183 1.00 55.13 N ATOM 1063 CA LYS A 416 -5.528 -3.511 7.925 1.00 64.34 C ATOM 1064 C LYS A 416 -4.770 -2.671 6.894 1.00 34.31 C ATOM 1065 O LYS A 416 -3.920 -3.188 6.171 1.00 52.22 O ATOM 1066 CB LYS A 416 -6.931 -3.921 7.473 1.00 63.13 C ATOM 1067 CG LYS A 416 -7.703 -4.584 8.615 1.00 1.02 C ATOM 1068 CD LYS A 416 -7.389 -6.079 8.694 1.00 25.34 C ATOM 1069 CE LYS A 416 -8.346 -6.888 7.817 1.00 61.02 C ATOM 1070 NZ LYS A 416 -8.069 -8.336 7.946 1.00 62.24 N ATOM 0 H LYS A 416 -6.061 -1.884 9.133 1.00 55.13 H new ATOM 0 HA LYS A 416 -4.974 -4.442 8.048 1.00 64.34 H new ATOM 0 HB2 LYS A 416 -7.475 -3.044 7.123 1.00 63.13 H new ATOM 0 HB3 LYS A 416 -6.859 -4.609 6.630 1.00 63.13 H new ATOM 0 HG2 LYS A 416 -7.445 -4.104 9.559 1.00 1.02 H new ATOM 0 HG3 LYS A 416 -8.773 -4.441 8.466 1.00 1.02 H new ATOM 0 HD2 LYS A 416 -6.362 -6.256 8.376 1.00 25.34 H new ATOM 0 HD3 LYS A 416 -7.465 -6.416 9.728 1.00 25.34 H new ATOM 0 HE2 LYS A 416 -9.376 -6.682 8.107 1.00 61.02 H new ATOM 0 HE3 LYS A 416 -8.240 -6.583 6.776 1.00 61.02 H new ATOM 0 HZ1 LYS A 416 -8.728 -8.870 7.344 1.00 62.24 H new ATOM 0 HZ2 LYS A 416 -7.092 -8.530 7.648 1.00 62.24 H new ATOM 0 HZ3 LYS A 416 -8.193 -8.626 8.937 1.00 62.24 H new ATOM 1083 N GLY A 417 -5.107 -1.390 6.860 1.00 24.21 N ATOM 1084 CA GLY A 417 -4.469 -0.474 5.930 1.00 11.52 C ATOM 1085 C GLY A 417 -4.078 0.831 6.628 1.00 61.05 C ATOM 1086 O GLY A 417 -4.769 1.283 7.539 1.00 22.03 O ATOM 0 H GLY A 417 -5.813 -0.965 7.461 1.00 24.21 H new ATOM 0 HA2 GLY A 417 -3.582 -0.942 5.503 1.00 11.52 H new ATOM 0 HA3 GLY A 417 -5.146 -0.260 5.103 1.00 11.52 H new ATOM 1090 N THR A 418 -2.971 1.399 6.172 1.00 52.30 N ATOM 1091 CA THR A 418 -2.480 2.643 6.741 1.00 61.04 C ATOM 1092 C THR A 418 -1.573 3.365 5.742 1.00 72.43 C ATOM 1093 O THR A 418 -0.528 2.842 5.357 1.00 52.34 O ATOM 1094 CB THR A 418 -1.786 2.316 8.065 1.00 73.15 C ATOM 1095 OG1 THR A 418 -1.105 1.091 7.806 1.00 1.43 O ATOM 1096 CG2 THR A 418 -2.779 1.963 9.174 1.00 1.22 C ATOM 0 H THR A 418 -2.401 1.021 5.416 1.00 52.30 H new ATOM 0 HA THR A 418 -3.298 3.333 6.948 1.00 61.04 H new ATOM 0 HB THR A 418 -1.180 3.166 8.377 1.00 73.15 H new ATOM 0 HG1 THR A 418 -0.627 1.156 6.953 1.00 1.43 H new ATOM 0 HG21 THR A 418 -2.235 1.739 10.092 1.00 1.22 H new ATOM 0 HG22 THR A 418 -3.448 2.806 9.345 1.00 1.22 H new ATOM 0 HG23 THR A 418 -3.362 1.091 8.876 1.00 1.22 H new ATOM 1104 N GLU A 419 -2.006 4.554 5.350 1.00 12.05 N ATOM 1105 CA GLU A 419 -1.247 5.353 4.404 1.00 63.23 C ATOM 1106 C GLU A 419 -1.242 6.822 4.832 1.00 74.33 C ATOM 1107 O GLU A 419 -2.181 7.287 5.476 1.00 31.11 O ATOM 1108 CB GLU A 419 -1.800 5.196 2.986 1.00 14.40 C ATOM 1109 CG GLU A 419 -3.248 5.685 2.906 1.00 51.32 C ATOM 1110 CD GLU A 419 -4.215 4.626 3.439 1.00 62.10 C ATOM 1111 OE1 GLU A 419 -3.820 3.466 3.628 1.00 32.34 O ATOM 1112 OE2 GLU A 419 -5.415 5.045 3.659 1.00 20.41 O ATOM 0 H GLU A 419 -2.874 4.983 5.671 1.00 12.05 H new ATOM 0 HA GLU A 419 -0.218 4.994 4.399 1.00 63.23 H new ATOM 0 HB2 GLU A 419 -1.183 5.760 2.286 1.00 14.40 H new ATOM 0 HB3 GLU A 419 -1.748 4.150 2.685 1.00 14.40 H new ATOM 0 HG2 GLU A 419 -3.357 6.605 3.481 1.00 51.32 H new ATOM 0 HG3 GLU A 419 -3.498 5.924 1.872 1.00 51.32 H new ATOM 1120 N PRO A 420 -0.147 7.530 4.446 1.00 31.40 N ATOM 1121 CA PRO A 420 -0.008 8.936 4.783 1.00 53.11 C ATOM 1122 C PRO A 420 -0.918 9.802 3.909 1.00 72.30 C ATOM 1123 O PRO A 420 -0.600 10.072 2.752 1.00 62.20 O ATOM 1124 CB PRO A 420 1.468 9.243 4.590 1.00 12.00 C ATOM 1125 CG PRO A 420 2.014 8.129 3.711 1.00 12.25 C ATOM 1126 CD PRO A 420 0.984 7.012 3.682 1.00 61.30 C ATOM 0 HA PRO A 420 -0.317 9.156 5.805 1.00 53.11 H new ATOM 0 HB2 PRO A 420 1.606 10.216 4.118 1.00 12.00 H new ATOM 0 HB3 PRO A 420 1.988 9.276 5.547 1.00 12.00 H new ATOM 0 HG2 PRO A 420 2.206 8.497 2.703 1.00 12.25 H new ATOM 0 HG3 PRO A 420 2.963 7.763 4.103 1.00 12.25 H new ATOM 0 HD2 PRO A 420 0.693 6.768 2.660 1.00 61.30 H new ATOM 0 HD3 PRO A 420 1.378 6.099 4.128 1.00 61.30 H new ATOM 1134 N ILE A 421 -2.032 10.213 4.496 1.00 35.21 N ATOM 1135 CA ILE A 421 -2.991 11.042 3.785 1.00 3.55 C ATOM 1136 C ILE A 421 -2.869 12.487 4.274 1.00 13.15 C ATOM 1137 O ILE A 421 -2.415 12.732 5.391 1.00 14.21 O ATOM 1138 CB ILE A 421 -4.401 10.465 3.918 1.00 73.13 C ATOM 1139 CG1 ILE A 421 -5.084 10.972 5.189 1.00 15.13 C ATOM 1140 CG2 ILE A 421 -4.376 8.937 3.851 1.00 74.50 C ATOM 1141 CD1 ILE A 421 -5.797 12.302 4.936 1.00 40.13 C ATOM 0 H ILE A 421 -2.292 9.988 5.456 1.00 35.21 H new ATOM 0 HA ILE A 421 -2.773 11.046 2.717 1.00 3.55 H new ATOM 0 HB ILE A 421 -4.994 10.815 3.073 1.00 73.13 H new ATOM 0 HG12 ILE A 421 -5.802 10.231 5.540 1.00 15.13 H new ATOM 0 HG13 ILE A 421 -4.343 11.097 5.979 1.00 15.13 H new ATOM 0 HG21 ILE A 421 -5.391 8.552 3.948 1.00 74.50 H new ATOM 0 HG22 ILE A 421 -3.958 8.622 2.895 1.00 74.50 H new ATOM 0 HG23 ILE A 421 -3.761 8.547 4.662 1.00 74.50 H new ATOM 0 HD11 ILE A 421 -6.274 12.640 5.856 1.00 40.13 H new ATOM 0 HD12 ILE A 421 -5.072 13.047 4.609 1.00 40.13 H new ATOM 0 HD13 ILE A 421 -6.554 12.168 4.163 1.00 40.13 H new ATOM 1153 N ILE A 422 -3.283 13.406 3.414 1.00 31.03 N ATOM 1154 CA ILE A 422 -3.226 14.820 3.745 1.00 75.13 C ATOM 1155 C ILE A 422 -4.642 15.333 4.016 1.00 31.24 C ATOM 1156 O ILE A 422 -5.427 15.521 3.088 1.00 21.40 O ATOM 1157 CB ILE A 422 -2.490 15.596 2.651 1.00 12.52 C ATOM 1158 CG1 ILE A 422 -1.048 15.106 2.506 1.00 33.34 C ATOM 1159 CG2 ILE A 422 -2.560 17.103 2.907 1.00 1.34 C ATOM 1160 CD1 ILE A 422 -0.239 16.040 1.604 1.00 73.40 C ATOM 0 H ILE A 422 -3.659 13.199 2.489 1.00 31.03 H new ATOM 0 HA ILE A 422 -2.650 14.975 4.657 1.00 75.13 H new ATOM 0 HB ILE A 422 -2.991 15.406 1.702 1.00 12.52 H new ATOM 0 HG12 ILE A 422 -0.580 15.048 3.488 1.00 33.34 H new ATOM 0 HG13 ILE A 422 -1.043 14.098 2.090 1.00 33.34 H new ATOM 0 HG21 ILE A 422 -2.029 17.632 2.115 1.00 1.34 H new ATOM 0 HG22 ILE A 422 -3.602 17.422 2.921 1.00 1.34 H new ATOM 0 HG23 ILE A 422 -2.098 17.331 3.868 1.00 1.34 H new ATOM 0 HD11 ILE A 422 0.782 15.668 1.518 1.00 73.40 H new ATOM 0 HD12 ILE A 422 -0.696 16.077 0.615 1.00 73.40 H new ATOM 0 HD13 ILE A 422 -0.226 17.041 2.035 1.00 73.40 H new ATOM 1172 N VAL A 423 -4.925 15.545 5.293 1.00 34.11 N ATOM 1173 CA VAL A 423 -6.233 16.032 5.699 1.00 42.44 C ATOM 1174 C VAL A 423 -6.326 17.531 5.407 1.00 53.41 C ATOM 1175 O VAL A 423 -5.330 18.247 5.492 1.00 2.55 O ATOM 1176 CB VAL A 423 -6.485 15.693 7.169 1.00 30.30 C ATOM 1177 CG1 VAL A 423 -7.907 16.074 7.584 1.00 54.14 C ATOM 1178 CG2 VAL A 423 -6.212 14.213 7.444 1.00 23.34 C ATOM 0 H VAL A 423 -4.271 15.389 6.060 1.00 34.11 H new ATOM 0 HA VAL A 423 -7.019 15.539 5.127 1.00 42.44 H new ATOM 0 HB VAL A 423 -5.792 16.280 7.772 1.00 30.30 H new ATOM 0 HG11 VAL A 423 -8.060 15.822 8.634 1.00 54.14 H new ATOM 0 HG12 VAL A 423 -8.053 17.145 7.443 1.00 54.14 H new ATOM 0 HG13 VAL A 423 -8.624 15.527 6.972 1.00 54.14 H new ATOM 0 HG21 VAL A 423 -6.399 13.998 8.496 1.00 23.34 H new ATOM 0 HG22 VAL A 423 -6.869 13.601 6.826 1.00 23.34 H new ATOM 0 HG23 VAL A 423 -5.173 13.984 7.206 1.00 23.34 H new ATOM 1188 N ASP A 424 -7.533 17.962 5.068 1.00 22.32 N ATOM 1189 CA ASP A 424 -7.769 19.363 4.763 1.00 34.43 C ATOM 1190 C ASP A 424 -8.978 19.856 5.561 1.00 52.53 C ATOM 1191 O ASP A 424 -9.940 19.116 5.759 1.00 20.03 O ATOM 1192 CB ASP A 424 -8.072 19.559 3.276 1.00 5.24 C ATOM 1193 CG ASP A 424 -6.840 19.642 2.372 1.00 54.41 C ATOM 1194 OD1 ASP A 424 -6.118 18.652 2.184 1.00 3.41 O ATOM 1195 OD2 ASP A 424 -6.631 20.799 1.841 1.00 53.22 O ATOM 0 H ASP A 424 -8.357 17.365 4.998 1.00 22.32 H new ATOM 0 HA ASP A 424 -6.871 19.922 5.025 1.00 34.43 H new ATOM 0 HB2 ASP A 424 -8.699 18.734 2.936 1.00 5.24 H new ATOM 0 HB3 ASP A 424 -8.654 20.473 3.156 1.00 5.24 H new ATOM 1201 N PRO A 425 -8.887 21.138 6.008 1.00 73.33 N ATOM 1202 CA PRO A 425 -9.962 21.739 6.779 1.00 43.20 C ATOM 1203 C PRO A 425 -11.146 22.100 5.880 1.00 13.24 C ATOM 1204 O PRO A 425 -11.042 22.040 4.656 1.00 13.22 O ATOM 1205 CB PRO A 425 -9.334 22.950 7.450 1.00 52.33 C ATOM 1206 CG PRO A 425 -8.065 23.249 6.668 1.00 31.20 C ATOM 1207 CD PRO A 425 -7.763 22.044 5.792 1.00 54.25 C ATOM 0 HA PRO A 425 -10.378 21.059 7.522 1.00 43.20 H new ATOM 0 HB2 PRO A 425 -10.013 23.802 7.433 1.00 52.33 H new ATOM 0 HB3 PRO A 425 -9.108 22.744 8.496 1.00 52.33 H new ATOM 0 HG2 PRO A 425 -8.195 24.142 6.057 1.00 31.20 H new ATOM 0 HG3 PRO A 425 -7.235 23.445 7.347 1.00 31.20 H new ATOM 0 HD2 PRO A 425 -7.679 22.328 4.743 1.00 54.25 H new ATOM 0 HD3 PRO A 425 -6.819 21.577 6.072 1.00 54.25 H new ATOM 1215 N PHE A 426 -12.245 22.467 6.523 1.00 12.21 N ATOM 1216 CA PHE A 426 -13.448 22.838 5.797 1.00 11.03 C ATOM 1217 C PHE A 426 -13.173 23.995 4.835 1.00 50.04 C ATOM 1218 O PHE A 426 -13.372 25.158 5.183 1.00 73.31 O ATOM 1219 CB PHE A 426 -14.477 23.289 6.837 1.00 65.54 C ATOM 1220 CG PHE A 426 -15.568 24.203 6.276 1.00 20.23 C ATOM 1221 CD1 PHE A 426 -16.298 23.809 5.199 1.00 73.41 C ATOM 1222 CD2 PHE A 426 -15.808 25.410 6.856 1.00 62.42 C ATOM 1223 CE1 PHE A 426 -17.311 24.657 4.679 1.00 53.10 C ATOM 1224 CE2 PHE A 426 -16.821 26.258 6.336 1.00 62.01 C ATOM 1225 CZ PHE A 426 -17.551 25.864 5.258 1.00 32.15 C ATOM 0 H PHE A 426 -12.328 22.515 7.539 1.00 12.21 H new ATOM 0 HA PHE A 426 -13.805 21.991 5.211 1.00 11.03 H new ATOM 0 HB2 PHE A 426 -14.945 22.408 7.276 1.00 65.54 H new ATOM 0 HB3 PHE A 426 -13.960 23.810 7.643 1.00 65.54 H new ATOM 0 HD1 PHE A 426 -16.107 22.851 4.739 1.00 73.41 H new ATOM 0 HD2 PHE A 426 -15.228 25.723 7.712 1.00 62.42 H new ATOM 0 HE1 PHE A 426 -17.891 24.344 3.824 1.00 53.10 H new ATOM 0 HE2 PHE A 426 -17.012 27.216 6.796 1.00 62.01 H new ATOM 0 HZ PHE A 426 -18.321 26.509 4.862 1.00 32.15 H new