USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 576 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 464 TYR OH : rot 180:sc= -0.0642 USER MOD Set 1.2: A 506 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 476 GLN : amide:sc= -0.971 K(o=-0.94,f=0.031) USER MOD Set 2.2: A 499 SER OG : rot 180:sc= 0.0313 USER MOD Set 3.1: A 427 THR OG1 : rot 180:sc= -2.68! USER MOD Set 3.2: A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.5) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.728 USER MOD Single : A 430 TYR OH : rot 62:sc= -0.456! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ -160:sc= 1.19 (180deg=1.15) USER MOD Single : A 435 ASN : amide:sc= -6.06! C(o=-6.1!,f=-17!) USER MOD Single : A 436 SER OG : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -7.92! C(o=-7.9!,f=-6.3!) USER MOD Single : A 441 TYR OH : rot 180:sc= -0.546 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 THR OG1 : rot -123:sc= 0.176! USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -108:sc= -6.17! (180deg=-12.3!) USER MOD Single : A 457 GLN : amide:sc= -0.0616 X(o=-0.062,f=-0.51) USER MOD Single : A 462 SER OG : rot 74:sc= 1.11 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 SER OG : rot 92:sc= 0.995 USER MOD Single : A 475 SER OG : rot 180:sc= 0.06 USER MOD Single : A 482 ASN : amide:sc= -5.55! C(o=-5.5!,f=-10!) USER MOD Single : A 495 ASN : amide:sc= -8.24! C(o=-8.2!,f=-7.9!) USER MOD Single : A 496 TYR OH : rot -64:sc= 0.113 USER MOD Single : A 497 SER OG : rot 174:sc= 0 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 503 SER OG : rot 164:sc= -1.09 USER MOD Single : A 504 THR OG1 : rot 117:sc= -1.24 USER MOD Single : A 505 TYR OH : rot -130:sc= -0.343 USER MOD Single : A 515 THR OG1 : rot 51:sc= 0.405 USER MOD Single : A 517 THR OG1 : rot 180:sc= 0 USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -10.794 -2.891 12.727 1.00 0.00 N ATOM 37 CA ASN A 424 -9.511 -2.217 12.611 1.00 0.00 C ATOM 38 C ASN A 424 -9.376 -1.626 11.206 1.00 0.00 C ATOM 39 O ASN A 424 -10.008 -2.102 10.265 1.00 0.00 O ATOM 40 CB ASN A 424 -8.354 -3.195 12.825 1.00 0.00 C ATOM 41 CG ASN A 424 -8.257 -3.616 14.293 1.00 0.00 C ATOM 42 OD1 ASN A 424 -8.301 -4.786 14.634 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.123 -2.599 15.140 1.00 0.00 N ATOM 0 HA ASN A 424 -9.470 -1.437 13.371 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.497 -4.076 12.199 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.418 -2.731 12.513 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -8.050 -2.776 16.142 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -8.093 -1.642 14.788 1.00 0.00 H new ATOM 50 N LYS A 425 -8.548 -0.596 11.110 1.00 0.00 N ATOM 51 CA LYS A 425 -8.322 0.066 9.836 1.00 0.00 C ATOM 52 C LYS A 425 -6.818 0.164 9.577 1.00 0.00 C ATOM 53 O LYS A 425 -6.033 0.334 10.509 1.00 0.00 O ATOM 54 CB LYS A 425 -9.042 1.416 9.799 1.00 0.00 C ATOM 55 CG LYS A 425 -8.913 2.068 8.420 1.00 0.00 C ATOM 56 CD LYS A 425 -10.249 2.042 7.675 1.00 0.00 C ATOM 57 CE LYS A 425 -10.176 1.128 6.450 1.00 0.00 C ATOM 58 NZ LYS A 425 -11.280 1.431 5.511 1.00 0.00 N ATOM 0 H LYS A 425 -8.026 -0.204 11.893 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.748 -0.519 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -10.095 1.277 10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.623 2.077 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -8.574 3.098 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -8.156 1.545 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -11.036 1.696 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -10.516 3.052 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.217 1.259 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -10.232 0.085 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -11.216 0.802 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -12.192 1.284 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -11.209 2.420 5.199 1.00 0.00 H new ATOM 71 N VAL A 426 -6.460 0.053 8.306 1.00 0.00 N ATOM 72 CA VAL A 426 -5.063 0.127 7.912 1.00 0.00 C ATOM 73 C VAL A 426 -4.904 1.169 6.804 1.00 0.00 C ATOM 74 O VAL A 426 -5.608 1.120 5.796 1.00 0.00 O ATOM 75 CB VAL A 426 -4.560 -1.260 7.506 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.038 -1.269 7.355 1.00 0.00 C ATOM 77 CG2 VAL A 426 -5.019 -2.324 8.505 1.00 0.00 C ATOM 0 H VAL A 426 -7.113 -0.088 7.535 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.446 0.449 8.751 1.00 0.00 H new ATOM 0 HB VAL A 426 -4.994 -1.503 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.707 -2.266 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.744 -0.553 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.577 -0.994 8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.648 -3.300 8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.628 -2.087 9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -6.108 -2.344 8.540 1.00 0.00 H new ATOM 87 N THR A 427 -3.976 2.087 7.027 1.00 0.00 N ATOM 88 CA THR A 427 -3.716 3.140 6.060 1.00 0.00 C ATOM 89 C THR A 427 -2.308 2.996 5.480 1.00 0.00 C ATOM 90 O THR A 427 -1.348 2.777 6.218 1.00 0.00 O ATOM 91 CB THR A 427 -3.955 4.485 6.749 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.357 4.503 6.999 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.728 5.672 5.811 1.00 0.00 C ATOM 0 H THR A 427 -3.394 2.124 7.864 1.00 0.00 H new ATOM 0 HA THR A 427 -4.393 3.070 5.208 1.00 0.00 H new ATOM 0 HB THR A 427 -3.295 4.573 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.599 5.341 7.446 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.911 6.602 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.700 5.658 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.411 5.603 4.965 1.00 0.00 H new ATOM 101 N ILE A 428 -2.228 3.124 4.164 1.00 0.00 N ATOM 102 CA ILE A 428 -0.953 3.010 3.476 1.00 0.00 C ATOM 103 C ILE A 428 -0.808 4.167 2.486 1.00 0.00 C ATOM 104 O ILE A 428 -1.651 4.348 1.609 1.00 0.00 O ATOM 105 CB ILE A 428 -0.813 1.628 2.834 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.319 0.598 3.851 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.086 1.688 1.597 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.339 -0.529 4.029 1.00 0.00 C ATOM 0 H ILE A 428 -3.026 3.306 3.555 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.128 3.091 4.184 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.799 1.304 2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.633 0.183 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.139 1.085 4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.169 0.693 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.346 2.371 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.076 2.042 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -0.964 -1.248 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.282 -0.113 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.498 -1.030 3.074 1.00 0.00 H new ATOM 120 N TYR A 429 0.269 4.920 2.659 1.00 0.00 N ATOM 121 CA TYR A 429 0.535 6.054 1.791 1.00 0.00 C ATOM 122 C TYR A 429 1.809 5.832 0.974 1.00 0.00 C ATOM 123 O TYR A 429 2.908 5.801 1.526 1.00 0.00 O ATOM 124 CB TYR A 429 0.741 7.254 2.718 1.00 0.00 C ATOM 125 CG TYR A 429 -0.508 7.653 3.506 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.731 7.098 3.188 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.412 8.566 4.536 1.00 0.00 C ATOM 128 CE1 TYR A 429 -2.907 7.473 3.930 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.587 8.941 5.279 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.777 8.377 4.939 1.00 0.00 C ATOM 131 OH TYR A 429 -3.887 8.731 5.640 1.00 0.00 O ATOM 0 H TYR A 429 0.967 4.767 3.387 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.287 6.202 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.543 7.025 3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.071 8.106 2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.806 6.382 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.545 9.000 4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.870 7.047 3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.525 9.654 6.088 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.644 9.383 6.330 1.00 0.00 H new ATOM 141 N TYR A 430 1.620 5.683 -0.329 1.00 0.00 N ATOM 142 CA TYR A 430 2.740 5.464 -1.228 1.00 0.00 C ATOM 143 C TYR A 430 3.032 6.717 -2.055 1.00 0.00 C ATOM 144 O TYR A 430 2.111 7.393 -2.511 1.00 0.00 O ATOM 145 CB TYR A 430 2.313 4.335 -2.168 1.00 0.00 C ATOM 146 CG TYR A 430 3.117 4.269 -3.468 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.480 4.054 -3.426 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.480 4.424 -4.682 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.237 3.992 -4.649 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.237 4.362 -5.905 1.00 0.00 C ATOM 151 CZ TYR A 430 4.578 4.149 -5.828 1.00 0.00 C ATOM 152 OH TYR A 430 5.293 4.090 -6.984 1.00 0.00 O ATOM 0 H TYR A 430 0.707 5.710 -0.784 1.00 0.00 H new ATOM 0 HA TYR A 430 3.641 5.221 -0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.410 3.384 -1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.258 4.459 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.978 3.932 -2.476 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.414 4.592 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.304 3.825 -4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.751 4.482 -6.862 1.00 0.00 H new ATOM 0 HH TYR A 430 5.706 3.205 -7.068 1.00 0.00 H new ATOM 162 N LYS A 431 4.318 6.989 -2.225 1.00 0.00 N ATOM 163 CA LYS A 431 4.743 8.150 -2.989 1.00 0.00 C ATOM 164 C LYS A 431 4.295 7.989 -4.443 1.00 0.00 C ATOM 165 O LYS A 431 4.355 6.893 -4.998 1.00 0.00 O ATOM 166 CB LYS A 431 6.248 8.374 -2.831 1.00 0.00 C ATOM 167 CG LYS A 431 6.797 9.237 -3.969 1.00 0.00 C ATOM 168 CD LYS A 431 7.778 10.285 -3.439 1.00 0.00 C ATOM 169 CE LYS A 431 8.271 11.194 -4.566 1.00 0.00 C ATOM 170 NZ LYS A 431 9.676 10.880 -4.908 1.00 0.00 N ATOM 0 H LYS A 431 5.079 6.425 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 431 4.268 9.053 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.449 8.857 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.763 7.413 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 431 7.297 8.604 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 431 5.974 9.732 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.294 10.885 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.627 9.789 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.640 11.068 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 431 8.189 12.237 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.995 11.506 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 10.277 11.023 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.745 9.890 -5.219 1.00 0.00 H new ATOM 183 N LYS A 432 3.855 9.099 -5.019 1.00 0.00 N ATOM 184 CA LYS A 432 3.396 9.095 -6.398 1.00 0.00 C ATOM 185 C LYS A 432 4.603 8.988 -7.332 1.00 0.00 C ATOM 186 O LYS A 432 5.382 9.931 -7.456 1.00 0.00 O ATOM 187 CB LYS A 432 2.512 10.313 -6.672 1.00 0.00 C ATOM 188 CG LYS A 432 1.542 10.040 -7.823 1.00 0.00 C ATOM 189 CD LYS A 432 0.369 11.021 -7.797 1.00 0.00 C ATOM 190 CE LYS A 432 -0.813 10.441 -7.018 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.054 10.524 -7.821 1.00 0.00 N ATOM 0 H LYS A 432 3.807 10.007 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 432 2.767 8.225 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.952 10.570 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.137 11.173 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 432 2.068 10.122 -8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.168 9.019 -7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.685 11.959 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 432 0.060 11.251 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.610 9.402 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -0.941 10.985 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -2.880 10.454 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.080 11.432 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -2.075 9.744 -8.508 1.00 0.00 H new ATOM 204 N GLY A 433 4.719 7.830 -7.966 1.00 0.00 N ATOM 205 CA GLY A 433 5.818 7.588 -8.885 1.00 0.00 C ATOM 206 C GLY A 433 5.300 7.147 -10.255 1.00 0.00 C ATOM 207 O GLY A 433 6.067 6.665 -11.088 1.00 0.00 O ATOM 0 H GLY A 433 4.070 7.050 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.414 8.495 -8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.476 6.821 -8.477 1.00 0.00 H new ATOM 211 N PHE A 434 4.002 7.327 -10.447 1.00 0.00 N ATOM 212 CA PHE A 434 3.372 6.953 -11.702 1.00 0.00 C ATOM 213 C PHE A 434 2.214 7.896 -12.037 1.00 0.00 C ATOM 214 O PHE A 434 2.242 8.581 -13.059 1.00 0.00 O ATOM 215 CB PHE A 434 2.824 5.536 -11.523 1.00 0.00 C ATOM 216 CG PHE A 434 3.791 4.435 -11.964 1.00 0.00 C ATOM 217 CD1 PHE A 434 3.802 4.017 -13.258 1.00 0.00 C ATOM 218 CD2 PHE A 434 4.640 3.874 -11.061 1.00 0.00 C ATOM 219 CE1 PHE A 434 4.699 2.995 -13.667 1.00 0.00 C ATOM 220 CE2 PHE A 434 5.537 2.853 -11.470 1.00 0.00 C ATOM 221 CZ PHE A 434 5.548 2.435 -12.764 1.00 0.00 C ATOM 0 H PHE A 434 3.369 7.727 -9.755 1.00 0.00 H new ATOM 0 HA PHE A 434 4.098 7.009 -12.513 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.572 5.385 -10.473 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.898 5.441 -12.090 1.00 0.00 H new ATOM 0 HD1 PHE A 434 3.128 4.463 -13.975 1.00 0.00 H new ATOM 0 HD2 PHE A 434 4.631 4.206 -10.033 1.00 0.00 H new ATOM 0 HE1 PHE A 434 4.707 2.663 -14.695 1.00 0.00 H new ATOM 0 HE2 PHE A 434 6.211 2.408 -10.753 1.00 0.00 H new ATOM 0 HZ PHE A 434 6.231 1.658 -13.075 1.00 0.00 H new ATOM 231 N ASN A 435 1.224 7.902 -11.156 1.00 0.00 N ATOM 232 CA ASN A 435 0.059 8.749 -11.346 1.00 0.00 C ATOM 233 C ASN A 435 -1.168 8.062 -10.743 1.00 0.00 C ATOM 234 O ASN A 435 -1.857 8.640 -9.903 1.00 0.00 O ATOM 235 CB ASN A 435 -0.214 8.986 -12.832 1.00 0.00 C ATOM 236 CG ASN A 435 -0.060 7.690 -13.631 1.00 0.00 C ATOM 237 OD1 ASN A 435 0.202 6.627 -13.094 1.00 0.00 O ATOM 238 ND2 ASN A 435 -0.236 7.839 -14.941 1.00 0.00 N ATOM 0 H ASN A 435 1.205 7.334 -10.309 1.00 0.00 H new ATOM 0 HA ASN A 435 0.254 9.705 -10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -1.222 9.380 -12.962 1.00 0.00 H new ATOM 0 HB3 ASN A 435 0.474 9.739 -13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 435 -0.153 7.034 -15.562 1.00 0.00 H new ATOM 0 HD22 ASN A 435 -0.454 8.759 -15.325 1.00 0.00 H new ATOM 245 N SER A 436 -1.405 6.840 -11.195 1.00 0.00 N ATOM 246 CA SER A 436 -2.538 6.069 -10.712 1.00 0.00 C ATOM 247 C SER A 436 -2.124 4.612 -10.492 1.00 0.00 C ATOM 248 O SER A 436 -2.679 3.705 -11.110 1.00 0.00 O ATOM 249 CB SER A 436 -3.713 6.145 -11.688 1.00 0.00 C ATOM 250 OG SER A 436 -4.448 7.357 -11.546 1.00 0.00 O ATOM 0 H SER A 436 -0.831 6.364 -11.891 1.00 0.00 H new ATOM 0 HA SER A 436 -2.862 6.496 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 436 -3.341 6.064 -12.710 1.00 0.00 H new ATOM 0 HB3 SER A 436 -4.377 5.297 -11.522 1.00 0.00 H new ATOM 0 HG SER A 436 -5.189 7.368 -12.188 1.00 0.00 H new ATOM 256 N PRO A 437 -1.126 4.429 -9.585 1.00 0.00 N ATOM 257 CA PRO A 437 -0.632 3.098 -9.276 1.00 0.00 C ATOM 258 C PRO A 437 -1.622 2.337 -8.392 1.00 0.00 C ATOM 259 O PRO A 437 -2.320 2.937 -7.577 1.00 0.00 O ATOM 260 CB PRO A 437 0.713 3.325 -8.603 1.00 0.00 C ATOM 261 CG PRO A 437 0.709 4.774 -8.143 1.00 0.00 C ATOM 262 CD PRO A 437 -0.446 5.480 -8.834 1.00 0.00 C ATOM 0 HA PRO A 437 -0.519 2.474 -10.163 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.847 2.648 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.533 3.137 -9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.598 4.830 -7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.655 5.256 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.115 5.946 -8.111 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.089 6.271 -9.494 1.00 0.00 H new ATOM 270 N TYR A 438 -1.650 1.026 -8.584 1.00 0.00 N ATOM 271 CA TYR A 438 -2.543 0.177 -7.814 1.00 0.00 C ATOM 272 C TYR A 438 -1.803 -0.484 -6.649 1.00 0.00 C ATOM 273 O TYR A 438 -0.590 -0.675 -6.708 1.00 0.00 O ATOM 274 CB TYR A 438 -3.026 -0.909 -8.778 1.00 0.00 C ATOM 275 CG TYR A 438 -3.828 -0.375 -9.966 1.00 0.00 C ATOM 276 CD1 TYR A 438 -3.178 0.248 -11.013 1.00 0.00 C ATOM 277 CD2 TYR A 438 -5.200 -0.517 -9.992 1.00 0.00 C ATOM 278 CE1 TYR A 438 -3.933 0.751 -12.131 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.955 -0.014 -11.111 1.00 0.00 C ATOM 280 CZ TYR A 438 -5.284 0.595 -12.125 1.00 0.00 C ATOM 281 OH TYR A 438 -5.996 1.069 -13.182 1.00 0.00 O ATOM 0 H TYR A 438 -1.069 0.532 -9.261 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.363 0.761 -7.396 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -2.162 -1.458 -9.153 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.641 -1.621 -8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -2.104 0.358 -10.993 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.708 -1.005 -9.173 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -3.438 1.241 -12.956 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -7.029 -0.118 -11.144 1.00 0.00 H new ATOM 0 HH TYR A 438 -6.949 0.887 -13.043 1.00 0.00 H new ATOM 291 N ILE A 439 -2.566 -0.814 -5.617 1.00 0.00 N ATOM 292 CA ILE A 439 -1.998 -1.449 -4.440 1.00 0.00 C ATOM 293 C ILE A 439 -2.849 -2.661 -4.059 1.00 0.00 C ATOM 294 O ILE A 439 -4.039 -2.525 -3.780 1.00 0.00 O ATOM 295 CB ILE A 439 -1.835 -0.431 -3.309 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.998 -1.011 -2.166 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.196 0.073 -2.824 1.00 0.00 C ATOM 298 CD1 ILE A 439 -1.667 -2.251 -1.571 1.00 0.00 C ATOM 0 H ILE A 439 -3.572 -0.654 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.995 -1.818 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.294 0.430 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.005 -1.270 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -0.865 -0.258 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.051 0.795 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.723 0.550 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.785 -0.767 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -1.052 -2.643 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -2.650 -1.983 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.777 -3.011 -2.344 1.00 0.00 H new ATOM 310 N HIS A 440 -2.206 -3.819 -4.058 1.00 0.00 N ATOM 311 CA HIS A 440 -2.889 -5.055 -3.716 1.00 0.00 C ATOM 312 C HIS A 440 -2.758 -5.315 -2.214 1.00 0.00 C ATOM 313 O HIS A 440 -1.652 -5.493 -1.705 1.00 0.00 O ATOM 314 CB HIS A 440 -2.370 -6.216 -4.566 1.00 0.00 C ATOM 315 CG HIS A 440 -3.348 -7.358 -4.708 1.00 0.00 C ATOM 316 ND1 HIS A 440 -4.709 -7.211 -4.501 1.00 0.00 N ATOM 317 CD2 HIS A 440 -3.149 -8.666 -5.040 1.00 0.00 C ATOM 318 CE1 HIS A 440 -5.292 -8.383 -4.700 1.00 0.00 C ATOM 319 NE2 HIS A 440 -4.324 -9.284 -5.034 1.00 0.00 N ATOM 0 H HIS A 440 -1.218 -3.928 -4.289 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.951 -4.962 -3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.117 -5.842 -5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.448 -6.593 -4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.197 -9.122 -5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -6.349 -8.589 -4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -4.478 -10.270 -5.244 1.00 0.00 H new ATOM 327 N TYR A 441 -3.902 -5.329 -1.546 1.00 0.00 N ATOM 328 CA TYR A 441 -3.929 -5.564 -0.113 1.00 0.00 C ATOM 329 C TYR A 441 -4.875 -6.715 0.237 1.00 0.00 C ATOM 330 O TYR A 441 -5.831 -6.980 -0.491 1.00 0.00 O ATOM 331 CB TYR A 441 -4.461 -4.274 0.516 1.00 0.00 C ATOM 332 CG TYR A 441 -5.896 -3.931 0.112 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.949 -4.664 0.618 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.137 -2.887 -0.758 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.300 -4.341 0.238 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.487 -2.563 -1.138 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.502 -3.306 -0.621 1.00 0.00 C ATOM 338 OH TYR A 441 -9.778 -3.000 -0.980 1.00 0.00 O ATOM 0 H TYR A 441 -4.817 -5.181 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.936 -5.829 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.411 -4.364 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.808 -3.448 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.760 -5.480 1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.312 -2.313 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -9.134 -4.908 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.689 -1.749 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.771 -2.239 -1.597 1.00 0.00 H new ATOM 348 N ARG A 442 -4.576 -7.367 1.350 1.00 0.00 N ATOM 349 CA ARG A 442 -5.387 -8.484 1.805 1.00 0.00 C ATOM 350 C ARG A 442 -5.275 -8.638 3.323 1.00 0.00 C ATOM 351 O ARG A 442 -4.175 -8.763 3.858 1.00 0.00 O ATOM 352 CB ARG A 442 -4.954 -9.788 1.133 1.00 0.00 C ATOM 353 CG ARG A 442 -5.396 -11.001 1.955 1.00 0.00 C ATOM 354 CD ARG A 442 -4.931 -12.304 1.303 1.00 0.00 C ATOM 355 NE ARG A 442 -4.212 -13.137 2.293 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.780 -14.394 2.054 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.992 -14.974 0.853 1.00 0.00 N ATOM 358 NH2 ARG A 442 -3.148 -15.047 3.011 1.00 0.00 N ATOM 0 H ARG A 442 -3.783 -7.143 1.951 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.422 -8.275 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.383 -9.846 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.870 -9.799 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.989 -10.929 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.482 -11.005 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.789 -12.850 0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -4.279 -12.085 0.458 1.00 0.00 H new ATOM 0 HE ARG A 442 -4.031 -12.736 3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -4.481 -14.462 0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.663 -15.924 0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.992 -14.602 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.815 -15.997 2.846 1.00 0.00 H new ATOM 371 N PRO A 443 -6.460 -8.623 3.991 1.00 0.00 N ATOM 372 CA PRO A 443 -6.506 -8.760 5.437 1.00 0.00 C ATOM 373 C PRO A 443 -6.245 -10.207 5.859 1.00 0.00 C ATOM 374 O PRO A 443 -6.813 -11.137 5.287 1.00 0.00 O ATOM 375 CB PRO A 443 -7.886 -8.264 5.835 1.00 0.00 C ATOM 376 CG PRO A 443 -8.726 -8.306 4.569 1.00 0.00 C ATOM 377 CD PRO A 443 -7.782 -8.477 3.390 1.00 0.00 C ATOM 0 HA PRO A 443 -5.730 -8.183 5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.319 -8.895 6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.836 -7.252 6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.438 -9.130 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.305 -7.389 4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -8.045 -9.352 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.821 -7.615 2.724 1.00 0.00 H new ATOM 385 N ALA A 444 -5.387 -10.354 6.858 1.00 0.00 N ATOM 386 CA ALA A 444 -5.044 -11.672 7.363 1.00 0.00 C ATOM 387 C ALA A 444 -6.327 -12.426 7.719 1.00 0.00 C ATOM 388 O ALA A 444 -6.928 -12.177 8.764 1.00 0.00 O ATOM 389 CB ALA A 444 -4.100 -11.531 8.558 1.00 0.00 C ATOM 0 H ALA A 444 -4.919 -9.581 7.331 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.521 -12.251 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.843 -12.520 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.192 -11.015 8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.591 -10.958 9.344 1.00 0.00 H new ATOM 395 N GLY A 445 -6.709 -13.332 6.832 1.00 0.00 N ATOM 396 CA GLY A 445 -7.909 -14.124 7.039 1.00 0.00 C ATOM 397 C GLY A 445 -9.041 -13.654 6.123 1.00 0.00 C ATOM 398 O GLY A 445 -10.167 -14.139 6.223 1.00 0.00 O ATOM 0 H GLY A 445 -6.208 -13.536 5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.693 -15.175 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -8.224 -14.049 8.080 1.00 0.00 H new ATOM 402 N GLY A 446 -8.703 -12.716 5.251 1.00 0.00 N ATOM 403 CA GLY A 446 -9.676 -12.175 4.319 1.00 0.00 C ATOM 404 C GLY A 446 -9.385 -12.640 2.890 1.00 0.00 C ATOM 405 O GLY A 446 -8.861 -13.733 2.685 1.00 0.00 O ATOM 0 H GLY A 446 -7.768 -12.317 5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.678 -12.490 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.659 -11.086 4.361 1.00 0.00 H new ATOM 409 N SER A 447 -9.737 -11.786 1.941 1.00 0.00 N ATOM 410 CA SER A 447 -9.520 -12.095 0.538 1.00 0.00 C ATOM 411 C SER A 447 -8.724 -10.972 -0.129 1.00 0.00 C ATOM 412 O SER A 447 -8.671 -9.855 0.383 1.00 0.00 O ATOM 413 CB SER A 447 -10.848 -12.309 -0.191 1.00 0.00 C ATOM 414 OG SER A 447 -11.962 -11.898 0.597 1.00 0.00 O ATOM 0 H SER A 447 -10.171 -10.880 2.116 1.00 0.00 H new ATOM 0 HA SER A 447 -8.949 -13.022 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.841 -11.752 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.955 -13.363 -0.448 1.00 0.00 H new ATOM 0 HG SER A 447 -12.791 -12.049 0.096 1.00 0.00 H new ATOM 420 N TRP A 448 -8.124 -11.307 -1.262 1.00 0.00 N ATOM 421 CA TRP A 448 -7.332 -10.341 -2.004 1.00 0.00 C ATOM 422 C TRP A 448 -8.295 -9.373 -2.696 1.00 0.00 C ATOM 423 O TRP A 448 -9.457 -9.705 -2.923 1.00 0.00 O ATOM 424 CB TRP A 448 -6.384 -11.041 -2.980 1.00 0.00 C ATOM 425 CG TRP A 448 -5.063 -11.487 -2.351 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.660 -12.735 -2.075 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.980 -10.632 -1.929 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.402 -12.746 -1.508 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.975 -11.427 -1.417 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.853 -9.232 -1.979 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.772 -10.914 -0.915 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.646 -8.736 -1.473 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.624 -9.523 -0.954 1.00 0.00 C ATOM 0 H TRP A 448 -8.171 -12.234 -1.684 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.689 -9.773 -1.332 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.888 -11.912 -3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -6.170 -10.367 -3.810 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -5.246 -13.621 -2.272 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.881 -13.571 -1.210 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.626 -8.591 -2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -1.000 -11.557 -0.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.498 -7.666 -1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.720 -9.063 -0.583 1.00 0.00 H new ATOM 444 N THR A 449 -7.774 -8.197 -3.013 1.00 0.00 N ATOM 445 CA THR A 449 -8.573 -7.179 -3.675 1.00 0.00 C ATOM 446 C THR A 449 -8.690 -7.481 -5.170 1.00 0.00 C ATOM 447 O THR A 449 -8.260 -8.538 -5.629 1.00 0.00 O ATOM 448 CB THR A 449 -7.943 -5.817 -3.378 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.246 -6.016 -2.151 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.987 -4.749 -3.044 1.00 0.00 C ATOM 0 H THR A 449 -6.809 -7.926 -2.824 1.00 0.00 H new ATOM 0 HA THR A 449 -9.595 -7.170 -3.296 1.00 0.00 H new ATOM 0 HB THR A 449 -7.355 -5.494 -4.238 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.571 -5.377 -1.483 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.487 -3.802 -2.842 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.666 -4.628 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.553 -5.056 -2.164 1.00 0.00 H new ATOM 458 N ALA A 450 -9.275 -6.534 -5.888 1.00 0.00 N ATOM 459 CA ALA A 450 -9.455 -6.686 -7.322 1.00 0.00 C ATOM 460 C ALA A 450 -8.172 -6.261 -8.040 1.00 0.00 C ATOM 461 O ALA A 450 -7.970 -5.077 -8.308 1.00 0.00 O ATOM 462 CB ALA A 450 -10.672 -5.876 -7.773 1.00 0.00 C ATOM 0 H ALA A 450 -9.631 -5.659 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.646 -7.729 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.807 -5.990 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.561 -6.236 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.516 -4.823 -7.537 1.00 0.00 H new ATOM 468 N ALA A 451 -7.340 -7.249 -8.333 1.00 0.00 N ATOM 469 CA ALA A 451 -6.083 -6.992 -9.014 1.00 0.00 C ATOM 470 C ALA A 451 -6.361 -6.260 -10.328 1.00 0.00 C ATOM 471 O ALA A 451 -7.303 -6.596 -11.043 1.00 0.00 O ATOM 472 CB ALA A 451 -5.339 -8.312 -9.229 1.00 0.00 C ATOM 0 H ALA A 451 -7.512 -8.230 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.442 -6.351 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.396 -8.119 -9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.140 -8.779 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.950 -8.980 -9.836 1.00 0.00 H new ATOM 478 N PRO A 452 -5.501 -5.246 -10.614 1.00 0.00 N ATOM 479 CA PRO A 452 -4.411 -4.913 -9.713 1.00 0.00 C ATOM 480 C PRO A 452 -4.927 -4.173 -8.477 1.00 0.00 C ATOM 481 O PRO A 452 -5.504 -3.092 -8.592 1.00 0.00 O ATOM 482 CB PRO A 452 -3.452 -4.079 -10.546 1.00 0.00 C ATOM 483 CG PRO A 452 -4.256 -3.586 -11.738 1.00 0.00 C ATOM 484 CD PRO A 452 -5.543 -4.392 -11.798 1.00 0.00 C ATOM 0 HA PRO A 452 -3.909 -5.796 -9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -3.058 -3.243 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.598 -4.673 -10.870 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.476 -2.523 -11.637 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.686 -3.708 -12.659 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.418 -3.742 -11.787 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.597 -4.984 -12.712 1.00 0.00 H new ATOM 492 N GLY A 453 -4.701 -4.784 -7.323 1.00 0.00 N ATOM 493 CA GLY A 453 -5.137 -4.197 -6.068 1.00 0.00 C ATOM 494 C GLY A 453 -6.160 -3.085 -6.308 1.00 0.00 C ATOM 495 O GLY A 453 -7.117 -3.268 -7.059 1.00 0.00 O ATOM 0 H GLY A 453 -4.222 -5.680 -7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.575 -4.968 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.277 -3.795 -5.532 1.00 0.00 H new ATOM 499 N VAL A 454 -5.923 -1.956 -5.656 1.00 0.00 N ATOM 500 CA VAL A 454 -6.812 -0.814 -5.789 1.00 0.00 C ATOM 501 C VAL A 454 -5.984 0.441 -6.072 1.00 0.00 C ATOM 502 O VAL A 454 -4.970 0.680 -5.419 1.00 0.00 O ATOM 503 CB VAL A 454 -7.687 -0.684 -4.541 1.00 0.00 C ATOM 504 CG1 VAL A 454 -6.891 -0.105 -3.371 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.931 0.159 -4.829 1.00 0.00 C ATOM 0 H VAL A 454 -5.128 -1.808 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.489 -0.953 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.018 -1.683 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.537 -0.023 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.051 -0.761 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.517 0.883 -3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.536 0.236 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.629 1.156 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.516 -0.313 -5.618 1.00 0.00 H new ATOM 515 N LYS A 455 -6.448 1.210 -7.046 1.00 0.00 N ATOM 516 CA LYS A 455 -5.762 2.434 -7.424 1.00 0.00 C ATOM 517 C LYS A 455 -5.665 3.356 -6.206 1.00 0.00 C ATOM 518 O LYS A 455 -6.661 3.944 -5.788 1.00 0.00 O ATOM 519 CB LYS A 455 -6.445 3.080 -8.631 1.00 0.00 C ATOM 520 CG LYS A 455 -5.786 4.415 -8.985 1.00 0.00 C ATOM 521 CD LYS A 455 -6.793 5.371 -9.627 1.00 0.00 C ATOM 522 CE LYS A 455 -7.312 4.811 -10.953 1.00 0.00 C ATOM 523 NZ LYS A 455 -8.757 5.096 -11.105 1.00 0.00 N ATOM 0 H LYS A 455 -7.291 1.009 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.742 2.217 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.393 2.406 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.501 3.238 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.371 4.869 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -4.955 4.244 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -7.628 5.536 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -6.323 6.340 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -6.759 5.252 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -7.141 3.735 -10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -9.094 4.709 -12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -9.282 4.655 -10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -8.912 6.124 -11.089 1.00 0.00 H new ATOM 536 N MET A 456 -4.457 3.452 -5.672 1.00 0.00 N ATOM 537 CA MET A 456 -4.217 4.292 -4.510 1.00 0.00 C ATOM 538 C MET A 456 -4.794 5.694 -4.718 1.00 0.00 C ATOM 539 O MET A 456 -4.490 6.353 -5.711 1.00 0.00 O ATOM 540 CB MET A 456 -2.712 4.392 -4.254 1.00 0.00 C ATOM 541 CG MET A 456 -2.192 3.140 -3.544 1.00 0.00 C ATOM 542 SD MET A 456 -0.428 2.998 -3.772 1.00 0.00 S ATOM 543 CE MET A 456 -0.018 1.965 -2.375 1.00 0.00 C ATOM 0 H MET A 456 -3.633 2.962 -6.022 1.00 0.00 H new ATOM 0 HA MET A 456 -4.711 3.840 -3.650 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.187 4.523 -5.200 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.500 5.273 -3.648 1.00 0.00 H new ATOM 0 HG2 MET A 456 -2.427 3.191 -2.481 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.691 2.255 -3.938 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.507 2.558 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 456 -0.932 1.559 -1.942 1.00 0.00 H new ATOM 0 HE3 MET A 456 0.622 1.146 -2.703 1.00 0.00 H new ATOM 553 N GLN A 457 -5.617 6.107 -3.766 1.00 0.00 N ATOM 554 CA GLN A 457 -6.240 7.419 -3.833 1.00 0.00 C ATOM 555 C GLN A 457 -5.174 8.505 -3.989 1.00 0.00 C ATOM 556 O GLN A 457 -3.979 8.222 -3.920 1.00 0.00 O ATOM 557 CB GLN A 457 -7.108 7.676 -2.600 1.00 0.00 C ATOM 558 CG GLN A 457 -7.939 6.441 -2.246 1.00 0.00 C ATOM 559 CD GLN A 457 -9.206 6.832 -1.483 1.00 0.00 C ATOM 560 OE1 GLN A 457 -9.908 7.767 -1.832 1.00 0.00 O ATOM 561 NE2 GLN A 457 -9.459 6.066 -0.425 1.00 0.00 N ATOM 0 H GLN A 457 -5.867 5.557 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.890 7.447 -4.707 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.475 7.947 -1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.769 8.522 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -8.209 5.907 -3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.342 5.758 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -8.830 5.299 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -10.282 6.246 0.150 1.00 0.00 H new ATOM 570 N ASP A 458 -5.645 9.726 -4.196 1.00 0.00 N ATOM 571 CA ASP A 458 -4.747 10.856 -4.363 1.00 0.00 C ATOM 572 C ASP A 458 -4.353 11.397 -2.987 1.00 0.00 C ATOM 573 O ASP A 458 -5.210 11.613 -2.132 1.00 0.00 O ATOM 574 CB ASP A 458 -5.424 11.987 -5.140 1.00 0.00 C ATOM 575 CG ASP A 458 -6.672 11.577 -5.923 1.00 0.00 C ATOM 576 OD1 ASP A 458 -6.604 10.756 -6.849 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.766 12.146 -5.543 1.00 0.00 O ATOM 0 H ASP A 458 -6.637 9.957 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.872 10.513 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.696 12.776 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.701 12.413 -5.835 1.00 0.00 H new ATOM 583 N ALA A 459 -3.055 11.599 -2.816 1.00 0.00 N ATOM 584 CA ALA A 459 -2.537 12.110 -1.559 1.00 0.00 C ATOM 585 C ALA A 459 -2.049 13.547 -1.758 1.00 0.00 C ATOM 586 O ALA A 459 -0.978 13.770 -2.321 1.00 0.00 O ATOM 587 CB ALA A 459 -1.430 11.185 -1.049 1.00 0.00 C ATOM 0 H ALA A 459 -2.347 11.418 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.321 12.130 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.041 11.569 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.834 10.184 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.625 11.142 -1.783 1.00 0.00 H new ATOM 593 N GLU A 460 -2.859 14.484 -1.287 1.00 0.00 N ATOM 594 CA GLU A 460 -2.524 15.892 -1.407 1.00 0.00 C ATOM 595 C GLU A 460 -1.186 16.180 -0.722 1.00 0.00 C ATOM 596 O GLU A 460 -0.584 17.230 -0.943 1.00 0.00 O ATOM 597 CB GLU A 460 -3.635 16.772 -0.832 1.00 0.00 C ATOM 598 CG GLU A 460 -3.753 16.586 0.682 1.00 0.00 C ATOM 599 CD GLU A 460 -4.875 17.454 1.256 1.00 0.00 C ATOM 600 OE1 GLU A 460 -5.932 16.930 1.637 1.00 0.00 O ATOM 601 OE2 GLU A 460 -4.618 18.718 1.298 1.00 0.00 O ATOM 0 H GLU A 460 -3.747 14.295 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.427 16.133 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.429 17.818 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.584 16.523 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.947 15.538 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.808 16.846 1.159 1.00 0.00 H new ATOM 609 N ILE A 461 -0.761 15.230 0.098 1.00 0.00 N ATOM 610 CA ILE A 461 0.493 15.368 0.818 1.00 0.00 C ATOM 611 C ILE A 461 1.454 16.232 -0.002 1.00 0.00 C ATOM 612 O ILE A 461 2.072 17.154 0.528 1.00 0.00 O ATOM 613 CB ILE A 461 1.058 13.993 1.180 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.045 13.180 1.988 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.398 14.125 1.906 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.774 14.085 2.911 1.00 0.00 C ATOM 0 H ILE A 461 -1.263 14.361 0.280 1.00 0.00 H new ATOM 0 HA ILE A 461 0.333 15.880 1.767 1.00 0.00 H new ATOM 0 HB ILE A 461 1.246 13.446 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.622 12.647 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.566 12.428 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.778 13.133 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.112 14.637 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.260 14.698 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.486 13.482 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 461 -0.107 14.598 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -1.313 14.821 2.314 1.00 0.00 H new ATOM 628 N SER A 462 1.550 15.902 -1.282 1.00 0.00 N ATOM 629 CA SER A 462 2.426 16.635 -2.180 1.00 0.00 C ATOM 630 C SER A 462 2.855 15.736 -3.342 1.00 0.00 C ATOM 631 O SER A 462 4.028 15.712 -3.711 1.00 0.00 O ATOM 632 CB SER A 462 3.654 17.167 -1.439 1.00 0.00 C ATOM 633 OG SER A 462 3.470 18.509 -0.996 1.00 0.00 O ATOM 0 H SER A 462 1.036 15.137 -1.718 1.00 0.00 H new ATOM 0 HA SER A 462 1.875 17.489 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 462 3.865 16.528 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.523 17.118 -2.095 1.00 0.00 H new ATOM 0 HG SER A 462 2.856 18.520 -0.232 1.00 0.00 H new ATOM 639 N GLY A 463 1.882 15.020 -3.885 1.00 0.00 N ATOM 640 CA GLY A 463 2.144 14.122 -4.997 1.00 0.00 C ATOM 641 C GLY A 463 2.341 12.686 -4.507 1.00 0.00 C ATOM 642 O GLY A 463 3.297 12.018 -4.899 1.00 0.00 O ATOM 0 H GLY A 463 0.910 15.043 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.314 14.159 -5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.033 14.452 -5.534 1.00 0.00 H new ATOM 646 N TYR A 464 1.421 12.253 -3.657 1.00 0.00 N ATOM 647 CA TYR A 464 1.482 10.909 -3.109 1.00 0.00 C ATOM 648 C TYR A 464 0.148 10.182 -3.291 1.00 0.00 C ATOM 649 O TYR A 464 -0.802 10.747 -3.830 1.00 0.00 O ATOM 650 CB TYR A 464 1.759 11.075 -1.614 1.00 0.00 C ATOM 651 CG TYR A 464 3.238 10.968 -1.239 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.147 11.871 -1.752 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.664 9.968 -0.388 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.540 11.770 -1.399 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.057 9.867 -0.036 1.00 0.00 C ATOM 656 CZ TYR A 464 5.926 10.774 -0.558 1.00 0.00 C ATOM 657 OH TYR A 464 7.241 10.678 -0.225 1.00 0.00 O ATOM 0 H TYR A 464 0.629 12.810 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 464 2.250 10.323 -3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.382 12.045 -1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.200 10.317 -1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.814 12.653 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.953 9.261 0.014 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.262 12.470 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.404 9.089 0.628 1.00 0.00 H new ATOM 0 HH TYR A 464 7.370 9.921 0.383 1.00 0.00 H new ATOM 667 N ALA A 465 0.120 8.939 -2.831 1.00 0.00 N ATOM 668 CA ALA A 465 -1.081 8.129 -2.937 1.00 0.00 C ATOM 669 C ALA A 465 -1.481 7.634 -1.546 1.00 0.00 C ATOM 670 O ALA A 465 -0.621 7.363 -0.709 1.00 0.00 O ATOM 671 CB ALA A 465 -0.837 6.980 -3.917 1.00 0.00 C ATOM 0 H ALA A 465 0.910 8.474 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.909 8.720 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.738 6.372 -3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.585 7.385 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -0.014 6.363 -3.557 1.00 0.00 H new ATOM 677 N LYS A 466 -2.786 7.530 -1.342 1.00 0.00 N ATOM 678 CA LYS A 466 -3.310 7.073 -0.067 1.00 0.00 C ATOM 679 C LYS A 466 -4.259 5.896 -0.303 1.00 0.00 C ATOM 680 O LYS A 466 -4.957 5.850 -1.314 1.00 0.00 O ATOM 681 CB LYS A 466 -3.949 8.234 0.698 1.00 0.00 C ATOM 682 CG LYS A 466 -2.896 9.267 1.106 1.00 0.00 C ATOM 683 CD LYS A 466 -3.538 10.631 1.366 1.00 0.00 C ATOM 684 CE LYS A 466 -4.395 10.601 2.634 1.00 0.00 C ATOM 685 NZ LYS A 466 -5.054 11.909 2.845 1.00 0.00 N ATOM 0 H LYS A 466 -3.496 7.755 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.502 6.710 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.708 8.709 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.455 7.855 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.378 8.928 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.147 9.358 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.761 11.389 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.154 10.916 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.148 9.817 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.773 10.358 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.631 11.871 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.331 12.650 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.663 12.126 2.031 1.00 0.00 H new ATOM 698 N ILE A 467 -4.254 4.973 0.648 1.00 0.00 N ATOM 699 CA ILE A 467 -5.106 3.799 0.556 1.00 0.00 C ATOM 700 C ILE A 467 -5.452 3.314 1.965 1.00 0.00 C ATOM 701 O ILE A 467 -4.565 3.137 2.799 1.00 0.00 O ATOM 702 CB ILE A 467 -4.451 2.730 -0.320 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.495 1.995 -1.162 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.615 1.766 0.525 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.299 2.977 -2.017 1.00 0.00 C ATOM 0 H ILE A 467 -3.674 5.014 1.486 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.047 4.048 0.065 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.771 3.226 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.001 1.267 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.168 1.439 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.160 1.016 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -2.833 2.321 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.256 1.274 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.034 2.429 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.811 3.689 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -5.626 3.513 -2.685 1.00 0.00 H new ATOM 717 N THR A 468 -6.742 3.112 2.187 1.00 0.00 N ATOM 718 CA THR A 468 -7.216 2.651 3.481 1.00 0.00 C ATOM 719 C THR A 468 -7.996 1.343 3.328 1.00 0.00 C ATOM 720 O THR A 468 -8.961 1.277 2.568 1.00 0.00 O ATOM 721 CB THR A 468 -8.036 3.777 4.113 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.330 4.963 3.756 1.00 0.00 O ATOM 723 CG2 THR A 468 -7.980 3.755 5.642 1.00 0.00 C ATOM 0 H THR A 468 -7.474 3.259 1.492 1.00 0.00 H new ATOM 0 HA THR A 468 -6.385 2.421 4.148 1.00 0.00 H new ATOM 0 HB THR A 468 -9.073 3.698 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.794 5.743 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.578 4.575 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.375 2.807 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.947 3.868 5.970 1.00 0.00 H new ATOM 731 N VAL A 469 -7.548 0.335 4.062 1.00 0.00 N ATOM 732 CA VAL A 469 -8.191 -0.967 4.017 1.00 0.00 C ATOM 733 C VAL A 469 -8.511 -1.422 5.442 1.00 0.00 C ATOM 734 O VAL A 469 -7.662 -1.341 6.329 1.00 0.00 O ATOM 735 CB VAL A 469 -7.310 -1.960 3.256 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.034 -3.293 3.057 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.858 -1.376 1.916 1.00 0.00 C ATOM 0 H VAL A 469 -6.747 0.394 4.691 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.135 -0.908 3.475 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.420 -2.148 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -7.386 -3.981 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -8.284 -3.720 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -8.948 -3.129 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.233 -2.102 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.732 -1.145 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.287 -0.464 2.091 1.00 0.00 H new ATOM 747 N ASP A 470 -9.737 -1.891 5.619 1.00 0.00 N ATOM 748 CA ASP A 470 -10.180 -2.359 6.921 1.00 0.00 C ATOM 749 C ASP A 470 -9.744 -3.813 7.111 1.00 0.00 C ATOM 750 O ASP A 470 -9.713 -4.586 6.154 1.00 0.00 O ATOM 751 CB ASP A 470 -11.704 -2.303 7.038 1.00 0.00 C ATOM 752 CG ASP A 470 -12.282 -2.970 8.288 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.606 -4.166 8.282 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.396 -2.197 9.314 1.00 0.00 O ATOM 0 H ASP A 470 -10.438 -1.957 4.881 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.737 -1.714 7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -12.016 -1.259 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -12.139 -2.777 6.158 1.00 0.00 H new ATOM 760 N ILE A 471 -9.418 -4.143 8.352 1.00 0.00 N ATOM 761 CA ILE A 471 -8.985 -5.491 8.679 1.00 0.00 C ATOM 762 C ILE A 471 -9.763 -5.990 9.898 1.00 0.00 C ATOM 763 O ILE A 471 -9.266 -6.818 10.660 1.00 0.00 O ATOM 764 CB ILE A 471 -7.466 -5.537 8.858 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.052 -4.916 10.193 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.755 -4.879 7.674 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.545 -5.056 10.419 1.00 0.00 C ATOM 0 H ILE A 471 -9.445 -3.500 9.143 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.207 -6.172 7.858 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.156 -6.582 8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.329 -3.862 10.209 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.592 -5.400 11.007 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.677 -4.925 7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -7.015 -5.405 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -7.066 -3.837 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.277 -4.606 11.375 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.275 -6.112 10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -5.008 -4.550 9.617 1.00 0.00 H new ATOM 779 N GLY A 472 -10.970 -5.464 10.046 1.00 0.00 N ATOM 780 CA GLY A 472 -11.822 -5.846 11.160 1.00 0.00 C ATOM 781 C GLY A 472 -11.957 -7.367 11.251 1.00 0.00 C ATOM 782 O GLY A 472 -12.967 -7.930 10.833 1.00 0.00 O ATOM 0 H GLY A 472 -11.378 -4.776 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.406 -5.458 12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.808 -5.396 11.039 1.00 0.00 H new ATOM 786 N SER A 473 -10.924 -7.989 11.800 1.00 0.00 N ATOM 787 CA SER A 473 -10.914 -9.434 11.951 1.00 0.00 C ATOM 788 C SER A 473 -9.485 -9.965 11.817 1.00 0.00 C ATOM 789 O SER A 473 -9.215 -11.120 12.143 1.00 0.00 O ATOM 790 CB SER A 473 -11.827 -10.102 10.920 1.00 0.00 C ATOM 791 OG SER A 473 -13.169 -10.210 11.387 1.00 0.00 O ATOM 0 H SER A 473 -10.088 -7.518 12.146 1.00 0.00 H new ATOM 0 HA SER A 473 -11.293 -9.676 12.944 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.810 -9.527 9.994 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.444 -11.095 10.685 1.00 0.00 H new ATOM 0 HG SER A 473 -13.680 -9.424 11.100 1.00 0.00 H new ATOM 797 N ALA A 474 -8.608 -9.096 11.336 1.00 0.00 N ATOM 798 CA ALA A 474 -7.214 -9.463 11.155 1.00 0.00 C ATOM 799 C ALA A 474 -6.329 -8.494 11.942 1.00 0.00 C ATOM 800 O ALA A 474 -6.574 -7.289 11.947 1.00 0.00 O ATOM 801 CB ALA A 474 -6.880 -9.476 9.662 1.00 0.00 C ATOM 0 H ALA A 474 -8.836 -8.139 11.066 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.028 -10.466 11.540 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.834 -9.751 9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.515 -10.201 9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.052 -8.485 9.242 1.00 0.00 H new ATOM 807 N SER A 475 -5.319 -9.057 12.588 1.00 0.00 N ATOM 808 CA SER A 475 -4.397 -8.258 13.377 1.00 0.00 C ATOM 809 C SER A 475 -3.341 -7.628 12.468 1.00 0.00 C ATOM 810 O SER A 475 -2.538 -6.811 12.917 1.00 0.00 O ATOM 811 CB SER A 475 -3.727 -9.103 14.463 1.00 0.00 C ATOM 812 OG SER A 475 -3.780 -10.495 14.165 1.00 0.00 O ATOM 0 H SER A 475 -5.119 -10.057 12.581 1.00 0.00 H new ATOM 0 HA SER A 475 -4.963 -7.467 13.868 1.00 0.00 H new ATOM 0 HB2 SER A 475 -2.687 -8.795 14.572 1.00 0.00 H new ATOM 0 HB3 SER A 475 -4.216 -8.918 15.419 1.00 0.00 H new ATOM 0 HG SER A 475 -3.341 -11.000 14.881 1.00 0.00 H new ATOM 818 N GLN A 476 -3.376 -8.030 11.206 1.00 0.00 N ATOM 819 CA GLN A 476 -2.431 -7.515 10.230 1.00 0.00 C ATOM 820 C GLN A 476 -3.032 -7.580 8.824 1.00 0.00 C ATOM 821 O GLN A 476 -4.001 -8.301 8.593 1.00 0.00 O ATOM 822 CB GLN A 476 -1.105 -8.276 10.295 1.00 0.00 C ATOM 823 CG GLN A 476 -0.064 -7.495 11.100 1.00 0.00 C ATOM 824 CD GLN A 476 1.347 -8.020 10.827 1.00 0.00 C ATOM 825 OE1 GLN A 476 2.322 -7.288 10.835 1.00 0.00 O ATOM 826 NE2 GLN A 476 1.400 -9.327 10.587 1.00 0.00 N ATOM 0 H GLN A 476 -4.044 -8.707 10.837 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.225 -6.472 10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.264 -9.253 10.751 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.733 -8.452 9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.118 -6.437 10.842 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.286 -7.576 12.164 1.00 0.00 H new ATOM 0 HE21 GLN A 476 0.544 -9.882 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 476 2.296 -9.774 10.394 1.00 0.00 H new ATOM 835 N LEU A 477 -2.431 -6.817 7.923 1.00 0.00 N ATOM 836 CA LEU A 477 -2.895 -6.779 6.546 1.00 0.00 C ATOM 837 C LEU A 477 -1.688 -6.797 5.605 1.00 0.00 C ATOM 838 O LEU A 477 -0.767 -5.996 5.755 1.00 0.00 O ATOM 839 CB LEU A 477 -3.827 -5.585 6.328 1.00 0.00 C ATOM 840 CG LEU A 477 -3.937 -5.075 4.890 1.00 0.00 C ATOM 841 CD1 LEU A 477 -5.095 -5.752 4.155 1.00 0.00 C ATOM 842 CD2 LEU A 477 -4.051 -3.549 4.857 1.00 0.00 C ATOM 0 H LEU A 477 -1.627 -6.220 8.119 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.490 -7.664 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.824 -5.860 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.487 -4.764 6.959 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.021 -5.341 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -5.151 -5.371 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -4.931 -6.829 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -6.030 -5.538 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -4.128 -3.212 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.939 -3.239 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -3.167 -3.108 5.317 1.00 0.00 H new ATOM 854 N GLU A 478 -1.733 -7.721 4.656 1.00 0.00 N ATOM 855 CA GLU A 478 -0.654 -7.854 3.691 1.00 0.00 C ATOM 856 C GLU A 478 -1.058 -7.229 2.354 1.00 0.00 C ATOM 857 O GLU A 478 -2.127 -7.526 1.823 1.00 0.00 O ATOM 858 CB GLU A 478 -0.257 -9.321 3.513 1.00 0.00 C ATOM 859 CG GLU A 478 0.334 -9.563 2.122 1.00 0.00 C ATOM 860 CD GLU A 478 1.600 -8.731 1.912 1.00 0.00 C ATOM 861 OE1 GLU A 478 2.614 -8.963 2.587 1.00 0.00 O ATOM 862 OE2 GLU A 478 1.507 -7.814 1.009 1.00 0.00 O ATOM 0 H GLU A 478 -2.499 -8.384 4.535 1.00 0.00 H new ATOM 0 HA GLU A 478 0.216 -7.319 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 478 0.471 -9.600 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -1.130 -9.958 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 478 0.566 -10.621 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 478 -0.403 -9.309 1.360 1.00 0.00 H new ATOM 870 N ALA A 479 -0.181 -6.373 1.849 1.00 0.00 N ATOM 871 CA ALA A 479 -0.433 -5.703 0.585 1.00 0.00 C ATOM 872 C ALA A 479 0.896 -5.467 -0.136 1.00 0.00 C ATOM 873 O ALA A 479 1.961 -5.558 0.473 1.00 0.00 O ATOM 874 CB ALA A 479 -1.197 -4.402 0.840 1.00 0.00 C ATOM 0 H ALA A 479 0.704 -6.129 2.292 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.053 -6.324 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -1.386 -3.899 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -2.146 -4.627 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 479 -0.604 -3.752 1.483 1.00 0.00 H new ATOM 880 N ALA A 480 0.790 -5.169 -1.422 1.00 0.00 N ATOM 881 CA ALA A 480 1.970 -4.919 -2.232 1.00 0.00 C ATOM 882 C ALA A 480 1.716 -3.713 -3.139 1.00 0.00 C ATOM 883 O ALA A 480 0.586 -3.239 -3.244 1.00 0.00 O ATOM 884 CB ALA A 480 2.322 -6.180 -3.025 1.00 0.00 C ATOM 0 H ALA A 480 -0.095 -5.095 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 480 2.825 -4.681 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 480 3.207 -5.992 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 480 2.523 -7.000 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 480 1.487 -6.447 -3.673 1.00 0.00 H new ATOM 890 N PHE A 481 2.786 -3.252 -3.770 1.00 0.00 N ATOM 891 CA PHE A 481 2.693 -2.110 -4.663 1.00 0.00 C ATOM 892 C PHE A 481 2.861 -2.540 -6.122 1.00 0.00 C ATOM 893 O PHE A 481 3.650 -3.434 -6.422 1.00 0.00 O ATOM 894 CB PHE A 481 3.831 -1.157 -4.290 1.00 0.00 C ATOM 895 CG PHE A 481 4.214 -0.180 -5.404 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.247 0.518 -6.059 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.521 -0.008 -5.738 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.603 1.424 -7.092 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.876 0.898 -6.772 1.00 0.00 C ATOM 900 CZ PHE A 481 4.910 1.596 -7.427 1.00 0.00 C ATOM 0 H PHE A 481 3.721 -3.649 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 481 1.716 -1.637 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.541 -0.589 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.708 -1.744 -4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.209 0.383 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.289 -0.560 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.835 1.977 -7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 481 6.914 1.033 -7.038 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.180 2.286 -8.212 1.00 0.00 H new ATOM 910 N ASN A 482 2.106 -1.882 -6.990 1.00 0.00 N ATOM 911 CA ASN A 482 2.162 -2.185 -8.410 1.00 0.00 C ATOM 912 C ASN A 482 1.560 -1.021 -9.199 1.00 0.00 C ATOM 913 O ASN A 482 0.516 -0.487 -8.826 1.00 0.00 O ATOM 914 CB ASN A 482 1.356 -3.444 -8.736 1.00 0.00 C ATOM 915 CG ASN A 482 -0.146 -3.153 -8.721 1.00 0.00 C ATOM 916 OD1 ASN A 482 -0.793 -3.040 -9.749 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.663 -3.039 -7.501 1.00 0.00 N ATOM 0 H ASN A 482 1.453 -1.141 -6.737 1.00 0.00 H new ATOM 0 HA ASN A 482 3.206 -2.345 -8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 482 1.647 -3.823 -9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.586 -4.225 -8.011 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -1.658 -2.846 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -0.065 -3.145 -6.682 1.00 0.00 H new ATOM 924 N ASP A 483 2.243 -0.662 -10.276 1.00 0.00 N ATOM 925 CA ASP A 483 1.789 0.429 -11.121 1.00 0.00 C ATOM 926 C ASP A 483 0.500 0.015 -11.834 1.00 0.00 C ATOM 927 O ASP A 483 -0.184 0.850 -12.423 1.00 0.00 O ATOM 928 CB ASP A 483 2.831 0.769 -12.188 1.00 0.00 C ATOM 929 CG ASP A 483 3.301 -0.416 -13.034 1.00 0.00 C ATOM 930 OD1 ASP A 483 2.996 -1.578 -12.730 1.00 0.00 O ATOM 931 OD2 ASP A 483 4.021 -0.103 -14.058 1.00 0.00 O ATOM 0 H ASP A 483 3.108 -1.108 -10.583 1.00 0.00 H new ATOM 0 HA ASP A 483 1.624 1.300 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.415 1.527 -12.851 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.698 1.213 -11.699 1.00 0.00 H new ATOM 1097 N ASN A 495 5.935 -9.665 -0.774 1.00 0.00 N ATOM 1098 CA ASN A 495 4.784 -8.884 -0.354 1.00 0.00 C ATOM 1099 C ASN A 495 5.099 -8.192 0.973 1.00 0.00 C ATOM 1100 O ASN A 495 5.945 -8.658 1.735 1.00 0.00 O ATOM 1101 CB ASN A 495 3.560 -9.778 -0.142 1.00 0.00 C ATOM 1102 CG ASN A 495 3.743 -10.677 1.082 1.00 0.00 C ATOM 1103 OD1 ASN A 495 4.774 -10.679 1.735 1.00 0.00 O ATOM 1104 ND2 ASN A 495 2.689 -11.440 1.356 1.00 0.00 N ATOM 0 HA ASN A 495 4.568 -8.155 -1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 495 2.671 -9.160 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 495 3.396 -10.392 -1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 495 2.713 -12.076 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 495 1.857 -11.390 0.769 1.00 0.00 H new ATOM 1111 N TYR A 496 4.402 -7.091 1.210 1.00 0.00 N ATOM 1112 CA TYR A 496 4.597 -6.329 2.432 1.00 0.00 C ATOM 1113 C TYR A 496 3.408 -6.499 3.380 1.00 0.00 C ATOM 1114 O TYR A 496 2.268 -6.621 2.936 1.00 0.00 O ATOM 1115 CB TYR A 496 4.688 -4.863 2.005 1.00 0.00 C ATOM 1116 CG TYR A 496 5.997 -4.500 1.300 1.00 0.00 C ATOM 1117 CD1 TYR A 496 7.205 -4.741 1.922 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.969 -3.932 0.043 1.00 0.00 C ATOM 1119 CE1 TYR A 496 8.437 -4.400 1.259 1.00 0.00 C ATOM 1120 CE2 TYR A 496 7.200 -3.590 -0.620 1.00 0.00 C ATOM 1121 CZ TYR A 496 8.374 -3.841 0.020 1.00 0.00 C ATOM 1122 OH TYR A 496 9.537 -3.519 -0.606 1.00 0.00 O ATOM 0 H TYR A 496 3.701 -6.708 0.576 1.00 0.00 H new ATOM 0 HA TYR A 496 5.490 -6.668 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.854 -4.636 1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.574 -4.231 2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 496 7.226 -5.185 2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 496 5.023 -3.744 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 496 9.389 -4.584 1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 496 7.192 -3.144 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 496 9.998 -2.817 -0.100 1.00 0.00 H new ATOM 1132 N SER A 497 3.716 -6.502 4.669 1.00 0.00 N ATOM 1133 CA SER A 497 2.687 -6.656 5.683 1.00 0.00 C ATOM 1134 C SER A 497 2.648 -5.418 6.581 1.00 0.00 C ATOM 1135 O SER A 497 3.684 -4.813 6.855 1.00 0.00 O ATOM 1136 CB SER A 497 2.924 -7.913 6.522 1.00 0.00 C ATOM 1137 OG SER A 497 2.255 -7.850 7.779 1.00 0.00 O ATOM 0 H SER A 497 4.663 -6.400 5.034 1.00 0.00 H new ATOM 0 HA SER A 497 1.726 -6.763 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.578 -8.787 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 497 3.994 -8.043 6.687 1.00 0.00 H new ATOM 0 HG SER A 497 2.353 -8.707 8.245 1.00 0.00 H new ATOM 1143 N PHE A 498 1.444 -5.078 7.015 1.00 0.00 N ATOM 1144 CA PHE A 498 1.257 -3.922 7.876 1.00 0.00 C ATOM 1145 C PHE A 498 0.182 -4.193 8.931 1.00 0.00 C ATOM 1146 O PHE A 498 -0.846 -4.799 8.634 1.00 0.00 O ATOM 1147 CB PHE A 498 0.798 -2.768 6.983 1.00 0.00 C ATOM 1148 CG PHE A 498 1.375 -2.811 5.566 1.00 0.00 C ATOM 1149 CD1 PHE A 498 0.759 -3.549 4.603 1.00 0.00 C ATOM 1150 CD2 PHE A 498 2.503 -2.112 5.269 1.00 0.00 C ATOM 1151 CE1 PHE A 498 1.294 -3.588 3.288 1.00 0.00 C ATOM 1152 CE2 PHE A 498 3.038 -2.151 3.955 1.00 0.00 C ATOM 1153 CZ PHE A 498 2.422 -2.889 2.992 1.00 0.00 C ATOM 0 H PHE A 498 0.587 -5.583 6.787 1.00 0.00 H new ATOM 0 HA PHE A 498 2.187 -3.690 8.394 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.290 -2.780 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 498 1.081 -1.825 7.451 1.00 0.00 H new ATOM 0 HD1 PHE A 498 -0.136 -4.105 4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 498 2.992 -1.527 6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 498 0.805 -4.173 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 498 3.934 -1.595 3.720 1.00 0.00 H new ATOM 0 HZ PHE A 498 2.829 -2.920 1.992 1.00 0.00 H new ATOM 1163 N SER A 499 0.457 -3.731 10.142 1.00 0.00 N ATOM 1164 CA SER A 499 -0.472 -3.916 11.243 1.00 0.00 C ATOM 1165 C SER A 499 -1.341 -2.667 11.410 1.00 0.00 C ATOM 1166 O SER A 499 -0.912 -1.561 11.086 1.00 0.00 O ATOM 1167 CB SER A 499 0.269 -4.225 12.545 1.00 0.00 C ATOM 1168 OG SER A 499 1.653 -3.896 12.461 1.00 0.00 O ATOM 0 H SER A 499 1.311 -3.229 10.385 1.00 0.00 H new ATOM 0 HA SER A 499 -1.111 -4.768 11.011 1.00 0.00 H new ATOM 0 HB2 SER A 499 -0.187 -3.668 13.363 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.161 -5.284 12.781 1.00 0.00 H new ATOM 0 HG SER A 499 2.091 -4.106 13.312 1.00 0.00 H new ATOM 1174 N THR A 500 -2.546 -2.887 11.915 1.00 0.00 N ATOM 1175 CA THR A 500 -3.478 -1.793 12.129 1.00 0.00 C ATOM 1176 C THR A 500 -2.720 -0.482 12.349 1.00 0.00 C ATOM 1177 O THR A 500 -1.704 -0.457 13.042 1.00 0.00 O ATOM 1178 CB THR A 500 -4.391 -2.171 13.297 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.489 -2.534 14.339 1.00 0.00 O ATOM 1180 CG2 THR A 500 -5.186 -3.450 13.028 1.00 0.00 C ATOM 0 H THR A 500 -2.898 -3.806 12.182 1.00 0.00 H new ATOM 0 HA THR A 500 -4.102 -1.627 11.251 1.00 0.00 H new ATOM 0 HB THR A 500 -5.081 -1.351 13.499 1.00 0.00 H new ATOM 0 HG1 THR A 500 -3.997 -2.792 15.136 1.00 0.00 H new ATOM 0 HG21 THR A 500 -5.818 -3.673 13.888 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.810 -3.311 12.145 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.497 -4.278 12.859 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.244 0.576 11.747 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.630 1.887 11.868 1.00 0.00 C ATOM 1190 C GLY A 501 -2.362 2.497 10.491 1.00 0.00 C ATOM 1191 O GLY A 501 -3.111 2.256 9.545 1.00 0.00 O ATOM 0 H GLY A 501 -4.087 0.552 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.282 2.546 12.441 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.695 1.805 12.421 1.00 0.00 H new ATOM 1195 N THR A 502 -1.292 3.275 10.422 1.00 0.00 N ATOM 1196 CA THR A 502 -0.917 3.922 9.176 1.00 0.00 C ATOM 1197 C THR A 502 0.565 3.683 8.876 1.00 0.00 C ATOM 1198 O THR A 502 1.403 3.758 9.774 1.00 0.00 O ATOM 1199 CB THR A 502 -1.285 5.403 9.282 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.592 5.396 9.848 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.475 6.059 7.913 1.00 0.00 C ATOM 0 H THR A 502 -0.673 3.472 11.208 1.00 0.00 H new ATOM 0 HA THR A 502 -1.460 3.498 8.331 1.00 0.00 H new ATOM 0 HB THR A 502 -0.507 5.932 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.908 6.318 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.735 7.109 8.046 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.550 5.984 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.276 5.552 7.375 1.00 0.00 H new ATOM 1209 N SER A 503 0.842 3.402 7.612 1.00 0.00 N ATOM 1210 CA SER A 503 2.208 3.152 7.183 1.00 0.00 C ATOM 1211 C SER A 503 2.501 3.923 5.894 1.00 0.00 C ATOM 1212 O SER A 503 1.609 4.127 5.073 1.00 0.00 O ATOM 1213 CB SER A 503 2.455 1.657 6.975 1.00 0.00 C ATOM 1214 OG SER A 503 1.303 0.992 6.463 1.00 0.00 O ATOM 0 H SER A 503 0.144 3.342 6.871 1.00 0.00 H new ATOM 0 HA SER A 503 2.882 3.498 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.289 1.520 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.745 1.202 7.922 1.00 0.00 H new ATOM 0 HG SER A 503 1.562 0.115 6.109 1.00 0.00 H new ATOM 1220 N THR A 504 3.755 4.329 5.758 1.00 0.00 N ATOM 1221 CA THR A 504 4.177 5.073 4.583 1.00 0.00 C ATOM 1222 C THR A 504 5.096 4.216 3.711 1.00 0.00 C ATOM 1223 O THR A 504 5.954 3.500 4.225 1.00 0.00 O ATOM 1224 CB THR A 504 4.827 6.375 5.057 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.725 7.202 5.420 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.506 7.138 3.917 1.00 0.00 C ATOM 0 H THR A 504 4.492 4.157 6.442 1.00 0.00 H new ATOM 0 HA THR A 504 3.328 5.329 3.950 1.00 0.00 H new ATOM 0 HB THR A 504 5.559 6.153 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.769 7.404 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.951 8.054 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.284 6.515 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.767 7.389 3.156 1.00 0.00 H new ATOM 1234 N TYR A 505 4.886 4.319 2.407 1.00 0.00 N ATOM 1235 CA TYR A 505 5.686 3.562 1.459 1.00 0.00 C ATOM 1236 C TYR A 505 6.392 4.493 0.471 1.00 0.00 C ATOM 1237 O TYR A 505 5.753 5.329 -0.165 1.00 0.00 O ATOM 1238 CB TYR A 505 4.702 2.676 0.692 1.00 0.00 C ATOM 1239 CG TYR A 505 5.373 1.630 -0.201 1.00 0.00 C ATOM 1240 CD1 TYR A 505 6.346 0.800 0.318 1.00 0.00 C ATOM 1241 CD2 TYR A 505 5.006 1.517 -1.527 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.978 -0.183 -0.522 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.638 0.533 -2.368 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.592 -0.269 -1.824 1.00 0.00 C ATOM 1245 OH TYR A 505 7.189 -1.198 -2.618 1.00 0.00 O ATOM 0 H TYR A 505 4.174 4.915 1.985 1.00 0.00 H new ATOM 0 HA TYR A 505 6.453 2.986 1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.054 2.168 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.063 3.309 0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.633 0.888 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.245 2.166 -1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.741 -0.838 -0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.360 0.434 -3.407 1.00 0.00 H new ATOM 0 HH TYR A 505 7.495 -0.773 -3.446 1.00 0.00 H new ATOM 1255 N THR A 506 7.701 4.316 0.374 1.00 0.00 N ATOM 1256 CA THR A 506 8.502 5.130 -0.526 1.00 0.00 C ATOM 1257 C THR A 506 9.450 4.249 -1.341 1.00 0.00 C ATOM 1258 O THR A 506 9.918 3.220 -0.856 1.00 0.00 O ATOM 1259 CB THR A 506 9.224 6.188 0.311 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.229 7.181 0.548 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.304 6.925 -0.483 1.00 0.00 C ATOM 0 H THR A 506 8.228 3.621 0.903 1.00 0.00 H new ATOM 0 HA THR A 506 7.877 5.643 -1.257 1.00 0.00 H new ATOM 0 HB THR A 506 9.674 5.716 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.611 7.905 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.785 7.664 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.048 6.210 -0.835 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.849 7.426 -1.338 1.00 0.00 H new ATOM 1269 N PRO A 507 9.712 4.696 -2.598 1.00 0.00 N ATOM 1270 CA PRO A 507 10.596 3.960 -3.486 1.00 0.00 C ATOM 1271 C PRO A 507 12.059 4.144 -3.079 1.00 0.00 C ATOM 1272 O PRO A 507 12.447 5.214 -2.611 1.00 0.00 O ATOM 1273 CB PRO A 507 10.294 4.496 -4.876 1.00 0.00 C ATOM 1274 CG PRO A 507 9.594 5.829 -4.665 1.00 0.00 C ATOM 1275 CD PRO A 507 9.175 5.910 -3.206 1.00 0.00 C ATOM 0 HA PRO A 507 10.432 2.883 -3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.210 4.623 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.660 3.805 -5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.260 6.654 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.724 5.911 -5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.577 6.803 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.090 5.956 -3.107 1.00 0.00 H new ATOM 1346 N GLY A 514 11.909 -0.264 -1.871 1.00 0.00 N ATOM 1347 CA GLY A 514 10.596 -0.234 -1.250 1.00 0.00 C ATOM 1348 C GLY A 514 10.710 -0.074 0.267 1.00 0.00 C ATOM 1349 O GLY A 514 10.790 -1.062 0.995 1.00 0.00 O ATOM 0 HA2 GLY A 514 10.013 0.589 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 514 10.059 -1.153 -1.483 1.00 0.00 H new ATOM 1353 N THR A 515 10.715 1.179 0.699 1.00 0.00 N ATOM 1354 CA THR A 515 10.819 1.481 2.116 1.00 0.00 C ATOM 1355 C THR A 515 9.427 1.652 2.729 1.00 0.00 C ATOM 1356 O THR A 515 8.545 2.253 2.117 1.00 0.00 O ATOM 1357 CB THR A 515 11.707 2.717 2.272 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.509 3.442 1.062 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.198 2.372 2.261 1.00 0.00 C ATOM 0 H THR A 515 10.649 1.996 0.092 1.00 0.00 H new ATOM 0 HA THR A 515 11.282 0.659 2.662 1.00 0.00 H new ATOM 0 HB THR A 515 11.459 3.226 3.203 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.549 3.546 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.783 3.284 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.420 1.693 3.084 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.454 1.892 1.316 1.00 0.00 H new ATOM 1367 N ILE A 516 9.273 1.112 3.929 1.00 0.00 N ATOM 1368 CA ILE A 516 8.004 1.197 4.631 1.00 0.00 C ATOM 1369 C ILE A 516 8.224 1.848 5.997 1.00 0.00 C ATOM 1370 O ILE A 516 9.206 1.556 6.677 1.00 0.00 O ATOM 1371 CB ILE A 516 7.340 -0.179 4.705 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.449 -0.914 3.367 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.890 -0.063 5.179 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.805 -2.387 3.578 1.00 0.00 C ATOM 0 H ILE A 516 10.007 0.614 4.433 1.00 0.00 H new ATOM 0 HA ILE A 516 7.308 1.832 4.084 1.00 0.00 H new ATOM 0 HB ILE A 516 7.874 -0.776 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.504 -0.838 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.209 -0.438 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.441 -1.055 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.866 0.390 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.328 0.559 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.876 -2.886 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.762 -2.460 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 516 7.031 -2.866 4.178 1.00 0.00 H new ATOM 1386 N THR A 517 7.293 2.719 6.359 1.00 0.00 N ATOM 1387 CA THR A 517 7.373 3.415 7.632 1.00 0.00 C ATOM 1388 C THR A 517 6.059 3.270 8.403 1.00 0.00 C ATOM 1389 O THR A 517 5.030 2.928 7.823 1.00 0.00 O ATOM 1390 CB THR A 517 7.757 4.869 7.353 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.901 4.925 5.937 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.148 5.220 7.884 1.00 0.00 C ATOM 0 H THR A 517 6.479 2.958 5.793 1.00 0.00 H new ATOM 0 HA THR A 517 8.139 2.979 8.273 1.00 0.00 H new ATOM 0 HB THR A 517 7.019 5.532 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 517 8.148 5.835 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.371 6.263 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.175 5.067 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.891 4.580 7.408 1.00 0.00 H new ATOM 1400 N SER A 518 6.138 3.538 9.698 1.00 0.00 N ATOM 1401 CA SER A 518 4.967 3.441 10.554 1.00 0.00 C ATOM 1402 C SER A 518 4.472 4.841 10.923 1.00 0.00 C ATOM 1403 O SER A 518 4.933 5.429 11.900 1.00 0.00 O ATOM 1404 CB SER A 518 5.275 2.637 11.819 1.00 0.00 C ATOM 1405 OG SER A 518 5.078 1.239 11.624 1.00 0.00 O ATOM 0 H SER A 518 6.994 3.822 10.175 1.00 0.00 H new ATOM 0 HA SER A 518 4.184 2.918 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 518 6.306 2.819 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.638 2.983 12.633 1.00 0.00 H new ATOM 0 HG SER A 518 5.287 0.760 12.453 1.00 0.00 H new ATOM 1411 N GLY A 519 3.539 5.334 10.121 1.00 0.00 N ATOM 1412 CA GLY A 519 2.976 6.653 10.351 1.00 0.00 C ATOM 1413 C GLY A 519 3.051 7.509 9.084 1.00 0.00 C ATOM 1414 O GLY A 519 4.091 7.565 8.430 1.00 0.00 O ATOM 0 H GLY A 519 3.159 4.843 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 519 1.938 6.559 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.515 7.146 11.160 1.00 0.00 H new ATOM 1418 N ALA A 520 1.935 8.154 8.778 1.00 0.00 N ATOM 1419 CA ALA A 520 1.861 9.004 7.602 1.00 0.00 C ATOM 1420 C ALA A 520 2.916 10.107 7.708 1.00 0.00 C ATOM 1421 O ALA A 520 3.353 10.451 8.805 1.00 0.00 O ATOM 1422 CB ALA A 520 0.444 9.565 7.465 1.00 0.00 C ATOM 0 H ALA A 520 1.075 8.105 9.324 1.00 0.00 H new ATOM 0 HA ALA A 520 2.073 8.430 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.389 10.203 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.265 8.743 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.197 10.150 8.351 1.00 0.00 H new ATOM 1428 N PRO A 521 3.306 10.646 6.521 1.00 0.00 N ATOM 1429 CA PRO A 521 4.302 11.702 6.470 1.00 0.00 C ATOM 1430 C PRO A 521 3.707 13.038 6.920 1.00 0.00 C ATOM 1431 O PRO A 521 2.521 13.293 6.719 1.00 0.00 O ATOM 1432 CB PRO A 521 4.782 11.722 5.028 1.00 0.00 C ATOM 1433 CG PRO A 521 3.714 10.998 4.224 1.00 0.00 C ATOM 1434 CD PRO A 521 2.811 10.264 5.202 1.00 0.00 C ATOM 0 HA PRO A 521 5.135 11.527 7.150 1.00 0.00 H new ATOM 0 HB2 PRO A 521 4.912 12.745 4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.748 11.226 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.137 11.707 3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.171 10.296 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.768 10.553 5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 521 2.864 9.185 5.056 1.00 0.00 H new