USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 810 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 515 ASN : amide:sc= -1.99 K(o=-0.87,f=-7!) USER MOD Set 1.2: A 535 LYS NZ :NH3+ -172:sc= 1.12 (180deg=0) USER MOD Set 2.1: A 491 LYS NZ :NH3+ -127:sc= 0.304 (180deg=-0.0796) USER MOD Set 2.2: A 492 ASN : amide:sc= -1.4! C(o=-1.1!,f=-3.5!) USER MOD Set 3.1: A 477 SER OG : rot -82:sc= 0.968 USER MOD Set 3.2: A 524 GLN : amide:sc= -1.97 K(o=-1,f=-7.2!) USER MOD Set 4.1: A 463 GLN : amide:sc= 0.318 K(o=0.62,f=-0.51) USER MOD Set 4.2: A 541 SER OG : rot 180:sc= 0.301 USER MOD Single : A 450 SER OG : rot 35:sc= 0.0197 USER MOD Single : A 451 TYR OH : rot 180:sc= 0 USER MOD Single : A 452 ASN : amide:sc=-0.00375 K(o=-0.0037,f=-1.3) USER MOD Single : A 453 THR OG1 : rot 180:sc= -0.0025 USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.0767 X(o=-0.077,f=-0.072) USER MOD Single : A 465 LYS NZ :NH3+ 155:sc= 0.498 (180deg=-0.029) USER MOD Single : A 466 LYS NZ :NH3+ -147:sc= 0.453 (180deg=-0.0691) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 476 THR OG1 : rot 170:sc= 0 USER MOD Single : A 481 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 489 TYR OH : rot 180:sc= 0.32 USER MOD Single : A 501 GLN : amide:sc= -0.426 K(o=-0.43,f=-3.6!) USER MOD Single : A 506 LYS NZ :NH3+ -105:sc= 0.961 (180deg=-1.12) USER MOD Single : A 522 LYS NZ :NH3+ -143:sc= -0.302 (180deg=-2.56!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 529 SER OG : rot 79:sc= 1.16 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot 1:sc= 0.0236 USER MOD Single : A 536 MET CE :methyl 161:sc= -0.0975 (180deg=-0.61) USER MOD Single : A 539 THR OG1 : rot 180:sc= 0 USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 449 -29.513 -12.371 -17.330 1.00 23.42 N ATOM 2 CA GLY A 449 -28.228 -12.966 -16.945 1.00 53.44 C ATOM 3 C GLY A 449 -27.451 -12.047 -16.033 1.00 33.30 C ATOM 4 O GLY A 449 -27.557 -10.819 -16.141 1.00 55.11 O ATOM 0 HA2 GLY A 449 -28.401 -13.918 -16.444 1.00 53.44 H new ATOM 0 HA3 GLY A 449 -27.640 -13.178 -17.838 1.00 53.44 H new ATOM 8 N SER A 450 -26.691 -12.617 -15.130 1.00 43.33 N ATOM 9 CA SER A 450 -25.923 -11.857 -14.190 1.00 71.22 C ATOM 10 C SER A 450 -24.493 -11.597 -14.693 1.00 51.10 C ATOM 11 O SER A 450 -23.769 -12.528 -15.079 1.00 42.14 O ATOM 12 CB SER A 450 -25.923 -12.577 -12.834 1.00 21.22 C ATOM 13 OG SER A 450 -25.524 -13.937 -12.975 1.00 41.31 O ATOM 0 H SER A 450 -26.591 -13.627 -15.031 1.00 43.33 H new ATOM 0 HA SER A 450 -26.387 -10.878 -14.072 1.00 71.22 H new ATOM 0 HB2 SER A 450 -25.248 -12.066 -12.148 1.00 21.22 H new ATOM 0 HB3 SER A 450 -26.919 -12.531 -12.394 1.00 21.22 H new ATOM 0 HG SER A 450 -24.852 -14.009 -13.684 1.00 41.31 H new ATOM 19 N TYR A 451 -24.105 -10.330 -14.721 1.00 42.25 N ATOM 20 CA TYR A 451 -22.755 -9.950 -15.113 1.00 43.25 C ATOM 21 C TYR A 451 -21.905 -9.662 -13.880 1.00 0.43 C ATOM 22 O TYR A 451 -20.705 -9.375 -13.984 1.00 42.03 O ATOM 23 CB TYR A 451 -22.751 -8.719 -16.029 1.00 70.20 C ATOM 24 CG TYR A 451 -23.443 -8.903 -17.363 1.00 1.10 C ATOM 25 CD1 TYR A 451 -22.839 -9.624 -18.385 1.00 34.44 C ATOM 26 CD2 TYR A 451 -24.684 -8.334 -17.611 1.00 73.34 C ATOM 27 CE1 TYR A 451 -23.453 -9.777 -19.614 1.00 12.24 C ATOM 28 CE2 TYR A 451 -25.308 -8.485 -18.835 1.00 51.21 C ATOM 29 CZ TYR A 451 -24.687 -9.206 -19.834 1.00 45.45 C ATOM 30 OH TYR A 451 -25.309 -9.361 -21.058 1.00 5.05 O ATOM 0 H TYR A 451 -24.708 -9.545 -14.476 1.00 42.25 H new ATOM 0 HA TYR A 451 -22.333 -10.789 -15.666 1.00 43.25 H new ATOM 0 HB2 TYR A 451 -23.228 -7.893 -15.502 1.00 70.20 H new ATOM 0 HB3 TYR A 451 -21.717 -8.426 -16.212 1.00 70.20 H new ATOM 0 HD1 TYR A 451 -21.872 -10.073 -18.216 1.00 34.44 H new ATOM 0 HD2 TYR A 451 -25.171 -7.763 -16.834 1.00 73.34 H new ATOM 0 HE1 TYR A 451 -22.968 -10.341 -20.397 1.00 12.24 H new ATOM 0 HE2 TYR A 451 -26.277 -8.041 -19.009 1.00 51.21 H new ATOM 0 HH TYR A 451 -26.172 -8.897 -21.047 1.00 5.05 H new ATOM 40 N ASN A 452 -22.518 -9.729 -12.719 1.00 53.44 N ATOM 41 CA ASN A 452 -21.801 -9.477 -11.475 1.00 51.32 C ATOM 42 C ASN A 452 -20.988 -10.688 -11.077 1.00 62.24 C ATOM 43 O ASN A 452 -21.283 -11.819 -11.490 1.00 1.35 O ATOM 44 CB ASN A 452 -22.741 -9.053 -10.327 1.00 52.03 C ATOM 45 CG ASN A 452 -23.392 -7.683 -10.526 1.00 4.14 C ATOM 46 OD1 ASN A 452 -23.646 -7.238 -11.656 1.00 3.14 O ATOM 47 ND2 ASN A 452 -23.666 -7.007 -9.441 1.00 72.41 N ATOM 0 H ASN A 452 -23.506 -9.954 -12.603 1.00 53.44 H new ATOM 0 HA ASN A 452 -21.127 -8.640 -11.659 1.00 51.32 H new ATOM 0 HB2 ASN A 452 -23.524 -9.803 -10.217 1.00 52.03 H new ATOM 0 HB3 ASN A 452 -22.177 -9.043 -9.395 1.00 52.03 H new ATOM 0 HD21 ASN A 452 -24.101 -6.087 -9.510 1.00 72.41 H new ATOM 0 HD22 ASN A 452 -23.445 -7.400 -8.526 1.00 72.41 H new ATOM 54 N THR A 453 -19.959 -10.464 -10.317 1.00 61.14 N ATOM 55 CA THR A 453 -19.097 -11.517 -9.860 1.00 13.33 C ATOM 56 C THR A 453 -18.567 -11.177 -8.481 1.00 71.11 C ATOM 57 O THR A 453 -17.651 -10.343 -8.333 1.00 15.34 O ATOM 58 CB THR A 453 -17.914 -11.733 -10.835 1.00 21.22 C ATOM 59 OG1 THR A 453 -18.428 -12.041 -12.148 1.00 14.23 O ATOM 60 CG2 THR A 453 -17.009 -12.875 -10.368 1.00 42.50 C ATOM 0 H THR A 453 -19.689 -9.536 -9.992 1.00 61.14 H new ATOM 0 HA THR A 453 -19.676 -12.440 -9.817 1.00 13.33 H new ATOM 0 HB THR A 453 -17.324 -10.817 -10.863 1.00 21.22 H new ATOM 0 HG1 THR A 453 -17.681 -12.177 -12.768 1.00 14.23 H new ATOM 0 HG21 THR A 453 -16.188 -13.001 -11.074 1.00 42.50 H new ATOM 0 HG22 THR A 453 -16.607 -12.641 -9.382 1.00 42.50 H new ATOM 0 HG23 THR A 453 -17.586 -13.798 -10.314 1.00 42.50 H new ATOM 68 N LYS A 454 -19.161 -11.767 -7.478 1.00 12.34 N ATOM 69 CA LYS A 454 -18.715 -11.557 -6.140 1.00 65.32 C ATOM 70 C LYS A 454 -17.491 -12.414 -5.888 1.00 13.23 C ATOM 71 O LYS A 454 -17.583 -13.628 -5.669 1.00 31.53 O ATOM 72 CB LYS A 454 -19.832 -11.830 -5.124 1.00 65.11 C ATOM 73 CG LYS A 454 -19.434 -11.573 -3.670 1.00 21.01 C ATOM 74 CD LYS A 454 -20.607 -11.779 -2.720 1.00 21.24 C ATOM 75 CE LYS A 454 -21.733 -10.782 -2.993 1.00 63.23 C ATOM 76 NZ LYS A 454 -22.881 -10.989 -2.093 1.00 32.23 N ATOM 0 H LYS A 454 -19.957 -12.398 -7.570 1.00 12.34 H new ATOM 0 HA LYS A 454 -18.441 -10.510 -6.011 1.00 65.32 H new ATOM 0 HB2 LYS A 454 -20.691 -11.206 -5.369 1.00 65.11 H new ATOM 0 HB3 LYS A 454 -20.152 -12.867 -5.223 1.00 65.11 H new ATOM 0 HG2 LYS A 454 -18.619 -12.241 -3.392 1.00 21.01 H new ATOM 0 HG3 LYS A 454 -19.059 -10.554 -3.570 1.00 21.01 H new ATOM 0 HD2 LYS A 454 -20.987 -12.795 -2.825 1.00 21.24 H new ATOM 0 HD3 LYS A 454 -20.266 -11.671 -1.690 1.00 21.24 H new ATOM 0 HE2 LYS A 454 -21.356 -9.767 -2.872 1.00 63.23 H new ATOM 0 HE3 LYS A 454 -22.061 -10.879 -4.028 1.00 63.23 H new ATOM 0 HZ1 LYS A 454 -23.623 -10.293 -2.311 1.00 32.23 H new ATOM 0 HZ2 LYS A 454 -23.258 -11.949 -2.226 1.00 32.23 H new ATOM 0 HZ3 LYS A 454 -22.574 -10.871 -1.106 1.00 32.23 H new ATOM 90 N LYS A 455 -16.366 -11.791 -5.998 1.00 14.33 N ATOM 91 CA LYS A 455 -15.094 -12.417 -5.816 1.00 55.11 C ATOM 92 C LYS A 455 -14.577 -12.139 -4.427 1.00 55.43 C ATOM 93 O LYS A 455 -14.600 -10.993 -3.974 1.00 54.03 O ATOM 94 CB LYS A 455 -14.101 -11.880 -6.874 1.00 25.23 C ATOM 95 CG LYS A 455 -12.634 -12.301 -6.679 1.00 42.03 C ATOM 96 CD LYS A 455 -12.421 -13.815 -6.715 1.00 72.34 C ATOM 97 CE LYS A 455 -12.764 -14.425 -8.064 1.00 65.42 C ATOM 98 NZ LYS A 455 -12.494 -15.876 -8.080 1.00 42.12 N ATOM 0 H LYS A 455 -16.302 -10.799 -6.225 1.00 14.33 H new ATOM 0 HA LYS A 455 -15.199 -13.495 -5.938 1.00 55.11 H new ATOM 0 HB2 LYS A 455 -14.429 -12.215 -7.858 1.00 25.23 H new ATOM 0 HB3 LYS A 455 -14.151 -10.791 -6.875 1.00 25.23 H new ATOM 0 HG2 LYS A 455 -12.026 -11.838 -7.456 1.00 42.03 H new ATOM 0 HG3 LYS A 455 -12.278 -11.915 -5.724 1.00 42.03 H new ATOM 0 HD2 LYS A 455 -11.381 -14.037 -6.475 1.00 72.34 H new ATOM 0 HD3 LYS A 455 -13.033 -14.282 -5.944 1.00 72.34 H new ATOM 0 HE2 LYS A 455 -13.815 -14.246 -8.290 1.00 65.42 H new ATOM 0 HE3 LYS A 455 -12.182 -13.936 -8.845 1.00 65.42 H new ATOM 0 HZ1 LYS A 455 -12.738 -16.264 -9.014 1.00 42.12 H new ATOM 0 HZ2 LYS A 455 -11.486 -16.044 -7.888 1.00 42.12 H new ATOM 0 HZ3 LYS A 455 -13.068 -16.344 -7.350 1.00 42.12 H new ATOM 112 N ILE A 456 -14.159 -13.172 -3.743 1.00 51.30 N ATOM 113 CA ILE A 456 -13.516 -12.991 -2.480 1.00 43.05 C ATOM 114 C ILE A 456 -12.034 -12.687 -2.696 1.00 11.31 C ATOM 115 O ILE A 456 -11.334 -13.393 -3.433 1.00 52.44 O ATOM 116 CB ILE A 456 -13.825 -14.134 -1.428 1.00 12.25 C ATOM 117 CG1 ILE A 456 -13.603 -15.575 -1.966 1.00 20.35 C ATOM 118 CG2 ILE A 456 -15.235 -13.989 -0.883 1.00 45.44 C ATOM 119 CD1 ILE A 456 -12.167 -15.989 -2.152 1.00 4.44 C ATOM 0 H ILE A 456 -14.255 -14.142 -4.043 1.00 51.30 H new ATOM 0 HA ILE A 456 -13.952 -12.118 -1.995 1.00 43.05 H new ATOM 0 HB ILE A 456 -13.099 -13.999 -0.627 1.00 12.25 H new ATOM 0 HG12 ILE A 456 -14.078 -16.276 -1.280 1.00 20.35 H new ATOM 0 HG13 ILE A 456 -14.116 -15.669 -2.923 1.00 20.35 H new ATOM 0 HG21 ILE A 456 -15.430 -14.783 -0.162 1.00 45.44 H new ATOM 0 HG22 ILE A 456 -15.338 -13.021 -0.393 1.00 45.44 H new ATOM 0 HG23 ILE A 456 -15.951 -14.059 -1.702 1.00 45.44 H new ATOM 0 HD11 ILE A 456 -12.129 -17.010 -2.531 1.00 4.44 H new ATOM 0 HD12 ILE A 456 -11.685 -15.320 -2.864 1.00 4.44 H new ATOM 0 HD13 ILE A 456 -11.647 -15.937 -1.196 1.00 4.44 H new ATOM 131 N GLY A 457 -11.590 -11.604 -2.128 1.00 32.02 N ATOM 132 CA GLY A 457 -10.261 -11.145 -2.375 1.00 64.41 C ATOM 133 C GLY A 457 -10.318 -10.075 -3.423 1.00 61.32 C ATOM 134 O GLY A 457 -9.817 -10.242 -4.544 1.00 22.43 O ATOM 0 H GLY A 457 -12.133 -11.023 -1.489 1.00 32.02 H new ATOM 0 HA2 GLY A 457 -9.818 -10.755 -1.459 1.00 64.41 H new ATOM 0 HA3 GLY A 457 -9.631 -11.969 -2.708 1.00 64.41 H new ATOM 138 N LYS A 458 -10.939 -8.985 -3.064 1.00 72.24 N ATOM 139 CA LYS A 458 -11.178 -7.888 -3.951 1.00 1.53 C ATOM 140 C LYS A 458 -10.067 -6.901 -3.997 1.00 31.53 C ATOM 141 O LYS A 458 -9.476 -6.537 -2.980 1.00 70.03 O ATOM 142 CB LYS A 458 -12.491 -7.175 -3.620 1.00 74.35 C ATOM 143 CG LYS A 458 -13.730 -7.819 -4.215 1.00 34.45 C ATOM 144 CD LYS A 458 -13.746 -7.687 -5.747 1.00 14.44 C ATOM 145 CE LYS A 458 -13.739 -6.214 -6.192 1.00 2.35 C ATOM 146 NZ LYS A 458 -13.792 -6.071 -7.664 1.00 40.42 N ATOM 0 H LYS A 458 -11.300 -8.835 -2.122 1.00 72.24 H new ATOM 0 HA LYS A 458 -11.247 -8.335 -4.943 1.00 1.53 H new ATOM 0 HB2 LYS A 458 -12.604 -7.135 -2.537 1.00 74.35 H new ATOM 0 HB3 LYS A 458 -12.428 -6.145 -3.972 1.00 74.35 H new ATOM 0 HG2 LYS A 458 -13.764 -8.873 -3.938 1.00 34.45 H new ATOM 0 HG3 LYS A 458 -14.622 -7.351 -3.798 1.00 34.45 H new ATOM 0 HD2 LYS A 458 -12.878 -8.197 -6.165 1.00 14.44 H new ATOM 0 HD3 LYS A 458 -14.631 -8.183 -6.146 1.00 14.44 H new ATOM 0 HE2 LYS A 458 -14.591 -5.699 -5.748 1.00 2.35 H new ATOM 0 HE3 LYS A 458 -12.840 -5.727 -5.814 1.00 2.35 H new ATOM 0 HZ1 LYS A 458 -13.785 -5.062 -7.915 1.00 40.42 H new ATOM 0 HZ2 LYS A 458 -12.966 -6.539 -8.088 1.00 40.42 H new ATOM 0 HZ3 LYS A 458 -14.662 -6.512 -8.024 1.00 40.42 H new ATOM 160 N ARG A 459 -9.782 -6.496 -5.186 1.00 30.13 N ATOM 161 CA ARG A 459 -8.874 -5.440 -5.453 1.00 54.04 C ATOM 162 C ARG A 459 -9.688 -4.238 -5.862 1.00 51.23 C ATOM 163 O ARG A 459 -10.670 -4.369 -6.594 1.00 15.20 O ATOM 164 CB ARG A 459 -7.908 -5.814 -6.558 1.00 34.42 C ATOM 165 CG ARG A 459 -7.004 -6.974 -6.222 1.00 64.33 C ATOM 166 CD ARG A 459 -6.141 -7.327 -7.399 1.00 30.42 C ATOM 167 NE ARG A 459 -6.949 -7.753 -8.555 1.00 32.01 N ATOM 168 CZ ARG A 459 -6.472 -8.099 -9.758 1.00 42.03 C ATOM 169 NH1 ARG A 459 -5.155 -8.141 -9.982 1.00 31.13 N ATOM 170 NH2 ARG A 459 -7.318 -8.429 -10.726 1.00 71.23 N ATOM 0 H ARG A 459 -10.190 -6.906 -6.026 1.00 30.13 H new ATOM 0 HA ARG A 459 -8.281 -5.227 -4.564 1.00 54.04 H new ATOM 0 HB2 ARG A 459 -8.477 -6.059 -7.455 1.00 34.42 H new ATOM 0 HB3 ARG A 459 -7.293 -4.946 -6.797 1.00 34.42 H new ATOM 0 HG2 ARG A 459 -6.377 -6.718 -5.368 1.00 64.33 H new ATOM 0 HG3 ARG A 459 -7.603 -7.837 -5.931 1.00 64.33 H new ATOM 0 HD2 ARG A 459 -5.533 -6.466 -7.677 1.00 30.42 H new ATOM 0 HD3 ARG A 459 -5.454 -8.126 -7.120 1.00 30.42 H new ATOM 0 HE ARG A 459 -7.960 -7.788 -8.428 1.00 32.01 H new ATOM 0 HH11 ARG A 459 -4.503 -7.908 -9.233 1.00 31.13 H new ATOM 0 HH12 ARG A 459 -4.802 -8.406 -10.902 1.00 31.13 H new ATOM 0 HH21 ARG A 459 -8.323 -8.418 -10.551 1.00 71.23 H new ATOM 0 HH22 ARG A 459 -6.963 -8.694 -11.645 1.00 71.23 H new ATOM 184 N LEU A 460 -9.311 -3.101 -5.386 1.00 4.33 N ATOM 185 CA LEU A 460 -10.052 -1.879 -5.657 1.00 72.10 C ATOM 186 C LEU A 460 -9.172 -0.859 -6.282 1.00 21.13 C ATOM 187 O LEU A 460 -8.090 -0.557 -5.774 1.00 54.12 O ATOM 188 CB LEU A 460 -10.711 -1.262 -4.407 1.00 0.45 C ATOM 189 CG LEU A 460 -11.870 -2.012 -3.727 1.00 43.53 C ATOM 190 CD1 LEU A 460 -11.436 -3.343 -3.157 1.00 51.33 C ATOM 191 CD2 LEU A 460 -12.483 -1.144 -2.652 1.00 22.53 C ATOM 0 H LEU A 460 -8.487 -2.974 -4.799 1.00 4.33 H new ATOM 0 HA LEU A 460 -10.851 -2.171 -6.339 1.00 72.10 H new ATOM 0 HB2 LEU A 460 -9.930 -1.118 -3.661 1.00 0.45 H new ATOM 0 HB3 LEU A 460 -11.076 -0.272 -4.682 1.00 0.45 H new ATOM 0 HG LEU A 460 -12.619 -2.226 -4.490 1.00 43.53 H new ATOM 0 HD11 LEU A 460 -12.289 -3.833 -2.688 1.00 51.33 H new ATOM 0 HD12 LEU A 460 -11.050 -3.973 -3.958 1.00 51.33 H new ATOM 0 HD13 LEU A 460 -10.655 -3.183 -2.413 1.00 51.33 H new ATOM 0 HD21 LEU A 460 -13.303 -1.681 -2.175 1.00 22.53 H new ATOM 0 HD22 LEU A 460 -11.726 -0.899 -1.906 1.00 22.53 H new ATOM 0 HD23 LEU A 460 -12.862 -0.225 -3.099 1.00 22.53 H new ATOM 203 N ASN A 461 -9.623 -0.344 -7.366 1.00 2.53 N ATOM 204 CA ASN A 461 -8.908 0.687 -8.094 1.00 31.20 C ATOM 205 C ASN A 461 -9.440 2.053 -7.705 1.00 72.53 C ATOM 206 O ASN A 461 -10.612 2.376 -7.914 1.00 32.34 O ATOM 207 CB ASN A 461 -8.918 0.443 -9.626 1.00 53.04 C ATOM 208 CG ASN A 461 -10.304 0.238 -10.219 1.00 61.43 C ATOM 209 OD1 ASN A 461 -10.976 1.181 -10.636 1.00 50.24 O ATOM 210 ND2 ASN A 461 -10.735 -1.003 -10.284 1.00 43.21 N ATOM 0 H ASN A 461 -10.508 -0.617 -7.794 1.00 2.53 H new ATOM 0 HA ASN A 461 -7.856 0.647 -7.810 1.00 31.20 H new ATOM 0 HB2 ASN A 461 -8.446 1.292 -10.120 1.00 53.04 H new ATOM 0 HB3 ASN A 461 -8.308 -0.433 -9.846 1.00 53.04 H new ATOM 0 HD21 ASN A 461 -11.649 -1.205 -10.689 1.00 43.21 H new ATOM 0 HD22 ASN A 461 -10.155 -1.764 -9.930 1.00 43.21 H new ATOM 217 N ILE A 462 -8.578 2.825 -7.112 1.00 4.51 N ATOM 218 CA ILE A 462 -8.911 4.100 -6.523 1.00 33.23 C ATOM 219 C ILE A 462 -8.044 5.210 -7.126 1.00 20.34 C ATOM 220 O ILE A 462 -6.902 4.975 -7.461 1.00 60.32 O ATOM 221 CB ILE A 462 -8.629 4.042 -4.997 1.00 24.13 C ATOM 222 CG1 ILE A 462 -9.393 2.883 -4.342 1.00 44.42 C ATOM 223 CG2 ILE A 462 -8.995 5.352 -4.332 1.00 11.43 C ATOM 224 CD1 ILE A 462 -9.165 2.762 -2.850 1.00 32.11 C ATOM 0 H ILE A 462 -7.592 2.582 -7.019 1.00 4.51 H new ATOM 0 HA ILE A 462 -9.963 4.311 -6.718 1.00 33.23 H new ATOM 0 HB ILE A 462 -7.561 3.871 -4.862 1.00 24.13 H new ATOM 0 HG12 ILE A 462 -10.459 3.013 -4.527 1.00 44.42 H new ATOM 0 HG13 ILE A 462 -9.098 1.950 -4.821 1.00 44.42 H new ATOM 0 HG21 ILE A 462 -8.789 5.288 -3.264 1.00 11.43 H new ATOM 0 HG22 ILE A 462 -8.405 6.158 -4.768 1.00 11.43 H new ATOM 0 HG23 ILE A 462 -10.055 5.554 -4.486 1.00 11.43 H new ATOM 0 HD11 ILE A 462 -9.739 1.921 -2.461 1.00 32.11 H new ATOM 0 HD12 ILE A 462 -8.105 2.599 -2.656 1.00 32.11 H new ATOM 0 HD13 ILE A 462 -9.487 3.679 -2.357 1.00 32.11 H new ATOM 236 N GLN A 463 -8.603 6.391 -7.300 1.00 22.34 N ATOM 237 CA GLN A 463 -7.830 7.543 -7.742 1.00 1.44 C ATOM 238 C GLN A 463 -7.859 8.688 -6.737 1.00 11.25 C ATOM 239 O GLN A 463 -8.914 9.087 -6.255 1.00 41.33 O ATOM 240 CB GLN A 463 -8.201 8.007 -9.138 1.00 53.24 C ATOM 241 CG GLN A 463 -7.686 7.093 -10.228 1.00 43.32 C ATOM 242 CD GLN A 463 -8.058 7.556 -11.608 1.00 2.23 C ATOM 243 OE1 GLN A 463 -9.108 8.178 -11.816 1.00 32.32 O ATOM 244 NE2 GLN A 463 -7.203 7.281 -12.554 1.00 21.31 N ATOM 0 H GLN A 463 -9.592 6.582 -7.142 1.00 22.34 H new ATOM 0 HA GLN A 463 -6.798 7.197 -7.798 1.00 1.44 H new ATOM 0 HB2 GLN A 463 -9.286 8.076 -9.214 1.00 53.24 H new ATOM 0 HB3 GLN A 463 -7.805 9.010 -9.297 1.00 53.24 H new ATOM 0 HG2 GLN A 463 -6.601 7.025 -10.154 1.00 43.32 H new ATOM 0 HG3 GLN A 463 -8.080 6.089 -10.069 1.00 43.32 H new ATOM 0 HE21 GLN A 463 -6.350 6.766 -12.337 1.00 21.31 H new ATOM 0 HE22 GLN A 463 -7.387 7.581 -13.511 1.00 21.31 H new ATOM 253 N LEU A 464 -6.682 9.182 -6.423 1.00 53.23 N ATOM 254 CA LEU A 464 -6.457 10.262 -5.473 1.00 74.24 C ATOM 255 C LEU A 464 -5.856 11.445 -6.168 1.00 52.42 C ATOM 256 O LEU A 464 -5.179 11.283 -7.160 1.00 12.24 O ATOM 257 CB LEU A 464 -5.476 9.778 -4.412 1.00 33.44 C ATOM 258 CG LEU A 464 -6.046 9.151 -3.123 1.00 20.03 C ATOM 259 CD1 LEU A 464 -6.680 10.200 -2.260 1.00 43.41 C ATOM 260 CD2 LEU A 464 -7.068 8.077 -3.391 1.00 42.33 C ATOM 0 H LEU A 464 -5.818 8.832 -6.836 1.00 53.23 H new ATOM 0 HA LEU A 464 -7.408 10.550 -5.024 1.00 74.24 H new ATOM 0 HB2 LEU A 464 -4.819 9.043 -4.877 1.00 33.44 H new ATOM 0 HB3 LEU A 464 -4.854 10.625 -4.123 1.00 33.44 H new ATOM 0 HG LEU A 464 -5.197 8.694 -2.615 1.00 20.03 H new ATOM 0 HD11 LEU A 464 -7.076 9.737 -1.356 1.00 43.41 H new ATOM 0 HD12 LEU A 464 -5.934 10.947 -1.988 1.00 43.41 H new ATOM 0 HD13 LEU A 464 -7.492 10.680 -2.807 1.00 43.41 H new ATOM 0 HD21 LEU A 464 -7.431 7.676 -2.445 1.00 42.33 H new ATOM 0 HD22 LEU A 464 -7.903 8.500 -3.949 1.00 42.33 H new ATOM 0 HD23 LEU A 464 -6.611 7.277 -3.973 1.00 42.33 H new ATOM 272 N LYS A 465 -6.078 12.621 -5.652 1.00 42.31 N ATOM 273 CA LYS A 465 -5.517 13.780 -6.227 1.00 32.42 C ATOM 274 C LYS A 465 -4.519 14.343 -5.263 1.00 21.44 C ATOM 275 O LYS A 465 -4.811 14.499 -4.076 1.00 64.24 O ATOM 276 CB LYS A 465 -6.563 14.817 -6.496 1.00 11.35 C ATOM 277 CG LYS A 465 -6.067 15.933 -7.414 1.00 25.24 C ATOM 278 CD LYS A 465 -6.971 17.129 -7.357 1.00 43.32 C ATOM 279 CE LYS A 465 -6.769 17.856 -6.052 1.00 51.11 C ATOM 280 NZ LYS A 465 -5.453 18.551 -6.002 1.00 50.11 N ATOM 0 H LYS A 465 -6.652 12.788 -4.825 1.00 42.31 H new ATOM 0 HA LYS A 465 -5.050 13.512 -7.175 1.00 32.42 H new ATOM 0 HB2 LYS A 465 -7.433 14.340 -6.948 1.00 11.35 H new ATOM 0 HB3 LYS A 465 -6.891 15.249 -5.551 1.00 11.35 H new ATOM 0 HG2 LYS A 465 -5.057 16.224 -7.124 1.00 25.24 H new ATOM 0 HG3 LYS A 465 -6.011 15.566 -8.439 1.00 25.24 H new ATOM 0 HD2 LYS A 465 -6.760 17.796 -8.193 1.00 43.32 H new ATOM 0 HD3 LYS A 465 -8.011 16.816 -7.453 1.00 43.32 H new ATOM 0 HE2 LYS A 465 -7.569 18.583 -5.914 1.00 51.11 H new ATOM 0 HE3 LYS A 465 -6.837 17.147 -5.227 1.00 51.11 H new ATOM 0 HZ1 LYS A 465 -5.506 19.348 -5.336 1.00 50.11 H new ATOM 0 HZ2 LYS A 465 -4.720 17.884 -5.686 1.00 50.11 H new ATOM 0 HZ3 LYS A 465 -5.212 18.907 -6.949 1.00 50.11 H new ATOM 294 N LYS A 466 -3.360 14.598 -5.752 1.00 40.54 N ATOM 295 CA LYS A 466 -2.288 15.197 -4.986 1.00 11.12 C ATOM 296 C LYS A 466 -2.727 16.580 -4.475 1.00 52.01 C ATOM 297 O LYS A 466 -2.805 17.539 -5.245 1.00 73.23 O ATOM 298 CB LYS A 466 -1.045 15.332 -5.869 1.00 13.23 C ATOM 299 CG LYS A 466 0.195 15.798 -5.130 1.00 41.23 C ATOM 300 CD LYS A 466 1.372 15.993 -6.069 1.00 2.21 C ATOM 301 CE LYS A 466 1.755 14.732 -6.804 1.00 52.43 C ATOM 302 NZ LYS A 466 2.915 14.944 -7.702 1.00 11.22 N ATOM 0 H LYS A 466 -3.108 14.397 -6.720 1.00 40.54 H new ATOM 0 HA LYS A 466 -2.052 14.564 -4.131 1.00 11.12 H new ATOM 0 HB2 LYS A 466 -0.837 14.368 -6.334 1.00 13.23 H new ATOM 0 HB3 LYS A 466 -1.260 16.034 -6.674 1.00 13.23 H new ATOM 0 HG2 LYS A 466 -0.019 16.735 -4.616 1.00 41.23 H new ATOM 0 HG3 LYS A 466 0.458 15.068 -4.365 1.00 41.23 H new ATOM 0 HD2 LYS A 466 1.127 16.769 -6.794 1.00 2.21 H new ATOM 0 HD3 LYS A 466 2.230 16.349 -5.498 1.00 2.21 H new ATOM 0 HE2 LYS A 466 1.993 13.950 -6.083 1.00 52.43 H new ATOM 0 HE3 LYS A 466 0.904 14.380 -7.387 1.00 52.43 H new ATOM 0 HZ1 LYS A 466 2.820 14.336 -8.541 1.00 11.22 H new ATOM 0 HZ2 LYS A 466 2.947 15.940 -7.998 1.00 11.22 H new ATOM 0 HZ3 LYS A 466 3.793 14.704 -7.198 1.00 11.22 H new ATOM 316 N GLY A 467 -3.073 16.658 -3.211 1.00 44.32 N ATOM 317 CA GLY A 467 -3.506 17.905 -2.637 1.00 3.25 C ATOM 318 C GLY A 467 -3.082 18.023 -1.202 1.00 41.43 C ATOM 319 O GLY A 467 -2.942 16.996 -0.508 1.00 42.24 O ATOM 0 H GLY A 467 -3.062 15.871 -2.563 1.00 44.32 H new ATOM 0 HA2 GLY A 467 -3.092 18.735 -3.210 1.00 3.25 H new ATOM 0 HA3 GLY A 467 -4.591 17.981 -2.705 1.00 3.25 H new ATOM 323 N THR A 468 -2.864 19.252 -0.758 1.00 60.42 N ATOM 324 CA THR A 468 -2.409 19.569 0.593 1.00 20.12 C ATOM 325 C THR A 468 -0.978 19.023 0.844 1.00 21.31 C ATOM 326 O THR A 468 -0.006 19.768 0.760 1.00 1.41 O ATOM 327 CB THR A 468 -3.415 19.080 1.670 1.00 1.25 C ATOM 328 OG1 THR A 468 -4.707 19.637 1.375 1.00 11.32 O ATOM 329 CG2 THR A 468 -2.991 19.537 3.065 1.00 5.42 C ATOM 0 H THR A 468 -3.001 20.079 -1.339 1.00 60.42 H new ATOM 0 HA THR A 468 -2.363 20.655 0.679 1.00 20.12 H new ATOM 0 HB THR A 468 -3.444 17.990 1.655 1.00 1.25 H new ATOM 0 HG1 THR A 468 -5.354 19.335 2.046 1.00 11.32 H new ATOM 0 HG21 THR A 468 -3.713 19.181 3.800 1.00 5.42 H new ATOM 0 HG22 THR A 468 -2.007 19.131 3.297 1.00 5.42 H new ATOM 0 HG23 THR A 468 -2.950 20.626 3.094 1.00 5.42 H new ATOM 337 N GLU A 469 -0.860 17.737 1.107 1.00 51.41 N ATOM 338 CA GLU A 469 0.440 17.094 1.296 1.00 42.32 C ATOM 339 C GLU A 469 0.615 16.011 0.244 1.00 23.42 C ATOM 340 O GLU A 469 1.691 15.411 0.109 1.00 11.22 O ATOM 341 CB GLU A 469 0.556 16.458 2.694 1.00 51.12 C ATOM 342 CG GLU A 469 0.473 17.429 3.864 1.00 61.12 C ATOM 343 CD GLU A 469 1.554 18.482 3.830 1.00 42.35 C ATOM 344 OE1 GLU A 469 2.759 18.125 3.927 1.00 0.31 O ATOM 345 OE2 GLU A 469 1.228 19.668 3.737 1.00 41.00 O ATOM 0 H GLU A 469 -1.655 17.104 1.197 1.00 51.41 H new ATOM 0 HA GLU A 469 1.215 17.855 1.200 1.00 42.32 H new ATOM 0 HB2 GLU A 469 -0.235 15.716 2.803 1.00 51.12 H new ATOM 0 HB3 GLU A 469 1.504 15.924 2.754 1.00 51.12 H new ATOM 0 HG2 GLU A 469 -0.502 17.916 3.857 1.00 61.12 H new ATOM 0 HG3 GLU A 469 0.545 16.872 4.798 1.00 61.12 H new ATOM 352 N GLY A 470 -0.449 15.777 -0.507 1.00 70.13 N ATOM 353 CA GLY A 470 -0.472 14.715 -1.476 1.00 63.43 C ATOM 354 C GLY A 470 -0.478 13.379 -0.800 1.00 42.01 C ATOM 355 O GLY A 470 -0.952 13.292 0.306 1.00 31.33 O ATOM 0 H GLY A 470 -1.312 16.319 -0.456 1.00 70.13 H new ATOM 0 HA2 GLY A 470 -1.355 14.812 -2.108 1.00 63.43 H new ATOM 0 HA3 GLY A 470 0.397 14.793 -2.129 1.00 63.43 H new ATOM 359 N LEU A 471 0.066 12.358 -1.434 1.00 12.21 N ATOM 360 CA LEU A 471 -0.019 10.966 -0.930 1.00 10.24 C ATOM 361 C LEU A 471 0.304 10.817 0.550 1.00 12.24 C ATOM 362 O LEU A 471 1.460 10.751 0.963 1.00 41.30 O ATOM 363 CB LEU A 471 0.748 9.960 -1.808 1.00 32.31 C ATOM 364 CG LEU A 471 0.089 9.577 -3.155 1.00 50.21 C ATOM 365 CD1 LEU A 471 -0.181 10.782 -4.024 1.00 45.41 C ATOM 366 CD2 LEU A 471 0.939 8.561 -3.897 1.00 13.33 C ATOM 0 H LEU A 471 0.581 12.450 -2.310 1.00 12.21 H new ATOM 0 HA LEU A 471 -1.075 10.708 -1.016 1.00 10.24 H new ATOM 0 HB2 LEU A 471 1.735 10.372 -2.016 1.00 32.31 H new ATOM 0 HB3 LEU A 471 0.899 9.048 -1.230 1.00 32.31 H new ATOM 0 HG LEU A 471 -0.876 9.127 -2.923 1.00 50.21 H new ATOM 0 HD11 LEU A 471 -0.644 10.461 -4.957 1.00 45.41 H new ATOM 0 HD12 LEU A 471 -0.852 11.464 -3.502 1.00 45.41 H new ATOM 0 HD13 LEU A 471 0.758 11.292 -4.241 1.00 45.41 H new ATOM 0 HD21 LEU A 471 0.458 8.305 -4.841 1.00 13.33 H new ATOM 0 HD22 LEU A 471 1.924 8.985 -4.094 1.00 13.33 H new ATOM 0 HD23 LEU A 471 1.046 7.663 -3.289 1.00 13.33 H new ATOM 378 N GLY A 472 -0.765 10.762 1.331 1.00 61.45 N ATOM 379 CA GLY A 472 -0.675 10.726 2.756 1.00 54.31 C ATOM 380 C GLY A 472 -0.932 9.363 3.298 1.00 62.53 C ATOM 381 O GLY A 472 -1.665 9.193 4.259 1.00 24.33 O ATOM 0 H GLY A 472 -1.721 10.742 0.976 1.00 61.45 H new ATOM 0 HA2 GLY A 472 0.316 11.058 3.065 1.00 54.31 H new ATOM 0 HA3 GLY A 472 -1.393 11.427 3.182 1.00 54.31 H new ATOM 385 N PHE A 473 -0.363 8.402 2.667 1.00 63.23 N ATOM 386 CA PHE A 473 -0.409 7.070 3.123 1.00 3.14 C ATOM 387 C PHE A 473 0.976 6.530 3.150 1.00 45.31 C ATOM 388 O PHE A 473 1.795 6.852 2.289 1.00 5.13 O ATOM 389 CB PHE A 473 -1.403 6.183 2.325 1.00 51.20 C ATOM 390 CG PHE A 473 -1.229 6.119 0.824 1.00 21.12 C ATOM 391 CD1 PHE A 473 -1.713 7.137 0.025 1.00 64.42 C ATOM 392 CD2 PHE A 473 -0.617 5.028 0.210 1.00 53.43 C ATOM 393 CE1 PHE A 473 -1.591 7.083 -1.341 1.00 62.24 C ATOM 394 CE2 PHE A 473 -0.499 4.975 -1.175 1.00 41.03 C ATOM 395 CZ PHE A 473 -0.985 6.004 -1.935 1.00 45.22 C ATOM 0 H PHE A 473 0.159 8.527 1.799 1.00 63.23 H new ATOM 0 HA PHE A 473 -0.810 7.056 4.137 1.00 3.14 H new ATOM 0 HB2 PHE A 473 -1.336 5.167 2.715 1.00 51.20 H new ATOM 0 HB3 PHE A 473 -2.412 6.538 2.532 1.00 51.20 H new ATOM 0 HD1 PHE A 473 -2.195 7.988 0.482 1.00 64.42 H new ATOM 0 HD2 PHE A 473 -0.232 4.219 0.813 1.00 53.43 H new ATOM 0 HE1 PHE A 473 -1.972 7.890 -1.949 1.00 62.24 H new ATOM 0 HE2 PHE A 473 -0.027 4.127 -1.648 1.00 41.03 H new ATOM 0 HZ PHE A 473 -0.891 5.967 -3.010 1.00 45.22 H new ATOM 405 N SER A 474 1.243 5.761 4.130 1.00 72.31 N ATOM 406 CA SER A 474 2.531 5.216 4.348 1.00 22.32 C ATOM 407 C SER A 474 2.422 3.732 4.188 1.00 71.23 C ATOM 408 O SER A 474 1.374 3.162 4.470 1.00 0.24 O ATOM 409 CB SER A 474 2.991 5.584 5.771 1.00 44.24 C ATOM 410 OG SER A 474 4.282 5.088 6.062 1.00 5.10 O ATOM 0 H SER A 474 0.553 5.481 4.828 1.00 72.31 H new ATOM 0 HA SER A 474 3.261 5.608 3.640 1.00 22.32 H new ATOM 0 HB2 SER A 474 2.987 6.668 5.883 1.00 44.24 H new ATOM 0 HB3 SER A 474 2.280 5.186 6.495 1.00 44.24 H new ATOM 0 HG SER A 474 4.534 5.346 6.973 1.00 5.10 H new ATOM 416 N ILE A 475 3.459 3.113 3.731 1.00 44.43 N ATOM 417 CA ILE A 475 3.445 1.702 3.482 1.00 55.21 C ATOM 418 C ILE A 475 4.416 0.953 4.349 1.00 72.32 C ATOM 419 O ILE A 475 5.387 1.509 4.851 1.00 15.43 O ATOM 420 CB ILE A 475 3.739 1.377 2.009 1.00 22.51 C ATOM 421 CG1 ILE A 475 4.983 2.147 1.526 1.00 12.31 C ATOM 422 CG2 ILE A 475 2.519 1.616 1.124 1.00 24.01 C ATOM 423 CD1 ILE A 475 5.395 1.837 0.112 1.00 52.41 C ATOM 0 H ILE A 475 4.346 3.569 3.517 1.00 44.43 H new ATOM 0 HA ILE A 475 2.435 1.375 3.729 1.00 55.21 H new ATOM 0 HB ILE A 475 3.964 0.313 1.929 1.00 22.51 H new ATOM 0 HG12 ILE A 475 4.788 3.216 1.609 1.00 12.31 H new ATOM 0 HG13 ILE A 475 5.816 1.922 2.192 1.00 12.31 H new ATOM 0 HG21 ILE A 475 2.767 1.375 0.090 1.00 24.01 H new ATOM 0 HG22 ILE A 475 1.698 0.982 1.458 1.00 24.01 H new ATOM 0 HG23 ILE A 475 2.220 2.662 1.191 1.00 24.01 H new ATOM 0 HD11 ILE A 475 6.278 2.422 -0.146 1.00 52.41 H new ATOM 0 HD12 ILE A 475 5.625 0.775 0.024 1.00 52.41 H new ATOM 0 HD13 ILE A 475 4.581 2.089 -0.568 1.00 52.41 H new ATOM 435 N THR A 476 4.129 -0.291 4.525 1.00 52.44 N ATOM 436 CA THR A 476 4.962 -1.197 5.223 1.00 30.54 C ATOM 437 C THR A 476 4.960 -2.501 4.433 1.00 34.12 C ATOM 438 O THR A 476 4.078 -2.715 3.594 1.00 42.21 O ATOM 439 CB THR A 476 4.488 -1.423 6.695 1.00 72.21 C ATOM 440 OG1 THR A 476 5.404 -2.276 7.389 1.00 4.12 O ATOM 441 CG2 THR A 476 3.084 -2.029 6.746 1.00 63.21 C ATOM 0 H THR A 476 3.273 -0.717 4.171 1.00 52.44 H new ATOM 0 HA THR A 476 5.971 -0.791 5.302 1.00 30.54 H new ATOM 0 HB THR A 476 4.458 -0.448 7.182 1.00 72.21 H new ATOM 0 HG1 THR A 476 5.187 -2.280 8.345 1.00 4.12 H new ATOM 0 HG21 THR A 476 2.787 -2.172 7.785 1.00 63.21 H new ATOM 0 HG22 THR A 476 2.379 -1.356 6.257 1.00 63.21 H new ATOM 0 HG23 THR A 476 3.084 -2.991 6.233 1.00 63.21 H new ATOM 449 N SER A 477 5.929 -3.318 4.642 1.00 73.12 N ATOM 450 CA SER A 477 6.035 -4.542 3.935 1.00 31.33 C ATOM 451 C SER A 477 6.032 -5.697 4.913 1.00 73.11 C ATOM 452 O SER A 477 6.748 -5.678 5.925 1.00 4.51 O ATOM 453 CB SER A 477 7.294 -4.515 3.050 1.00 20.11 C ATOM 454 OG SER A 477 8.425 -4.087 3.797 1.00 73.10 O ATOM 0 H SER A 477 6.678 -3.154 5.315 1.00 73.12 H new ATOM 0 HA SER A 477 5.178 -4.678 3.276 1.00 31.33 H new ATOM 0 HB2 SER A 477 7.478 -5.508 2.640 1.00 20.11 H new ATOM 0 HB3 SER A 477 7.136 -3.845 2.205 1.00 20.11 H new ATOM 0 HG SER A 477 8.438 -3.108 3.839 1.00 73.10 H new ATOM 460 N ARG A 478 5.216 -6.682 4.646 1.00 14.24 N ATOM 461 CA ARG A 478 5.106 -7.812 5.514 1.00 72.50 C ATOM 462 C ARG A 478 5.530 -9.026 4.766 1.00 41.12 C ATOM 463 O ARG A 478 4.924 -9.380 3.752 1.00 2.40 O ATOM 464 CB ARG A 478 3.673 -7.989 6.046 1.00 3.12 C ATOM 465 CG ARG A 478 3.122 -6.791 6.812 1.00 43.33 C ATOM 466 CD ARG A 478 3.983 -6.444 8.004 1.00 64.52 C ATOM 467 NE ARG A 478 3.473 -5.281 8.727 1.00 1.12 N ATOM 468 CZ ARG A 478 4.207 -4.520 9.546 1.00 32.05 C ATOM 469 NH1 ARG A 478 5.496 -4.801 9.754 1.00 52.31 N ATOM 470 NH2 ARG A 478 3.655 -3.478 10.154 1.00 64.11 N ATOM 0 H ARG A 478 4.614 -6.719 3.824 1.00 14.24 H new ATOM 0 HA ARG A 478 5.750 -7.653 6.379 1.00 72.50 H new ATOM 0 HB2 ARG A 478 3.012 -8.200 5.205 1.00 3.12 H new ATOM 0 HB3 ARG A 478 3.648 -8.862 6.698 1.00 3.12 H new ATOM 0 HG2 ARG A 478 3.060 -5.931 6.146 1.00 43.33 H new ATOM 0 HG3 ARG A 478 2.108 -7.009 7.147 1.00 43.33 H new ATOM 0 HD2 ARG A 478 4.030 -7.299 8.679 1.00 64.52 H new ATOM 0 HD3 ARG A 478 5.001 -6.246 7.670 1.00 64.52 H new ATOM 0 HE ARG A 478 2.492 -5.033 8.598 1.00 1.12 H new ATOM 0 HH11 ARG A 478 5.926 -5.600 9.287 1.00 52.31 H new ATOM 0 HH12 ARG A 478 6.051 -4.217 10.380 1.00 52.31 H new ATOM 0 HH21 ARG A 478 2.672 -3.258 9.997 1.00 64.11 H new ATOM 0 HH22 ARG A 478 4.214 -2.897 10.779 1.00 64.11 H new ATOM 484 N ASP A 479 6.578 -9.641 5.240 1.00 24.14 N ATOM 485 CA ASP A 479 7.130 -10.831 4.621 1.00 42.40 C ATOM 486 C ASP A 479 6.101 -11.944 4.623 1.00 45.24 C ATOM 487 O ASP A 479 5.595 -12.325 5.679 1.00 71.21 O ATOM 488 CB ASP A 479 8.412 -11.261 5.324 1.00 74.21 C ATOM 489 CG ASP A 479 9.053 -12.445 4.661 1.00 55.31 C ATOM 490 OD1 ASP A 479 9.625 -12.283 3.568 1.00 22.42 O ATOM 491 OD2 ASP A 479 9.008 -13.544 5.218 1.00 50.22 O ATOM 0 H ASP A 479 7.082 -9.334 6.072 1.00 24.14 H new ATOM 0 HA ASP A 479 7.384 -10.603 3.586 1.00 42.40 H new ATOM 0 HB2 ASP A 479 9.115 -10.428 5.335 1.00 74.21 H new ATOM 0 HB3 ASP A 479 8.190 -11.505 6.363 1.00 74.21 H new ATOM 496 N VAL A 480 5.771 -12.441 3.453 1.00 41.20 N ATOM 497 CA VAL A 480 4.717 -13.411 3.339 1.00 20.31 C ATOM 498 C VAL A 480 5.226 -14.837 3.586 1.00 21.22 C ATOM 499 O VAL A 480 6.229 -15.271 2.993 1.00 74.13 O ATOM 500 CB VAL A 480 3.956 -13.303 1.977 1.00 1.43 C ATOM 501 CG1 VAL A 480 4.846 -13.616 0.784 1.00 61.33 C ATOM 502 CG2 VAL A 480 2.700 -14.162 1.969 1.00 54.52 C ATOM 0 H VAL A 480 6.218 -12.188 2.572 1.00 41.20 H new ATOM 0 HA VAL A 480 3.997 -13.180 4.124 1.00 20.31 H new ATOM 0 HB VAL A 480 3.650 -12.262 1.876 1.00 1.43 H new ATOM 0 HG11 VAL A 480 4.267 -13.526 -0.135 1.00 61.33 H new ATOM 0 HG12 VAL A 480 5.680 -12.914 0.758 1.00 61.33 H new ATOM 0 HG13 VAL A 480 5.230 -14.632 0.873 1.00 61.33 H new ATOM 0 HG21 VAL A 480 2.197 -14.062 1.007 1.00 54.52 H new ATOM 0 HG22 VAL A 480 2.972 -15.205 2.130 1.00 54.52 H new ATOM 0 HG23 VAL A 480 2.030 -13.835 2.764 1.00 54.52 H new ATOM 512 N THR A 481 4.551 -15.547 4.465 1.00 20.03 N ATOM 513 CA THR A 481 4.915 -16.902 4.784 1.00 53.41 C ATOM 514 C THR A 481 4.461 -17.825 3.669 1.00 5.33 C ATOM 515 O THR A 481 5.199 -18.707 3.212 1.00 72.05 O ATOM 516 CB THR A 481 4.300 -17.331 6.132 1.00 41.20 C ATOM 517 OG1 THR A 481 4.626 -16.341 7.124 1.00 53.21 O ATOM 518 CG2 THR A 481 4.863 -18.675 6.579 1.00 11.30 C ATOM 0 H THR A 481 3.739 -15.199 4.974 1.00 20.03 H new ATOM 0 HA THR A 481 5.999 -16.965 4.878 1.00 53.41 H new ATOM 0 HB THR A 481 3.220 -17.423 6.014 1.00 41.20 H new ATOM 0 HG1 THR A 481 4.239 -16.602 7.986 1.00 53.21 H new ATOM 0 HG21 THR A 481 4.416 -18.958 7.532 1.00 11.30 H new ATOM 0 HG22 THR A 481 4.633 -19.433 5.830 1.00 11.30 H new ATOM 0 HG23 THR A 481 5.944 -18.596 6.695 1.00 11.30 H new ATOM 526 N ILE A 482 3.278 -17.577 3.223 1.00 43.43 N ATOM 527 CA ILE A 482 2.673 -18.323 2.135 1.00 63.15 C ATOM 528 C ILE A 482 3.006 -17.695 0.781 1.00 4.44 C ATOM 529 O ILE A 482 2.250 -16.879 0.224 1.00 0.01 O ATOM 530 CB ILE A 482 1.139 -18.541 2.309 1.00 3.25 C ATOM 531 CG1 ILE A 482 0.415 -17.209 2.615 1.00 55.14 C ATOM 532 CG2 ILE A 482 0.868 -19.577 3.388 1.00 45.15 C ATOM 533 CD1 ILE A 482 -1.091 -17.329 2.736 1.00 34.20 C ATOM 0 H ILE A 482 2.681 -16.841 3.600 1.00 43.43 H new ATOM 0 HA ILE A 482 3.116 -19.318 2.166 1.00 63.15 H new ATOM 0 HB ILE A 482 0.740 -18.919 1.368 1.00 3.25 H new ATOM 0 HG12 ILE A 482 0.811 -16.800 3.545 1.00 55.14 H new ATOM 0 HG13 ILE A 482 0.648 -16.493 1.827 1.00 55.14 H new ATOM 0 HG21 ILE A 482 -0.208 -19.717 3.496 1.00 45.15 H new ATOM 0 HG22 ILE A 482 1.331 -20.523 3.108 1.00 45.15 H new ATOM 0 HG23 ILE A 482 1.286 -19.235 4.334 1.00 45.15 H new ATOM 0 HD11 ILE A 482 -1.518 -16.349 2.951 1.00 34.20 H new ATOM 0 HD12 ILE A 482 -1.502 -17.706 1.800 1.00 34.20 H new ATOM 0 HD13 ILE A 482 -1.337 -18.018 3.544 1.00 34.20 H new ATOM 545 N GLY A 483 4.156 -18.038 0.292 1.00 72.13 N ATOM 546 CA GLY A 483 4.641 -17.494 -0.936 1.00 2.41 C ATOM 547 C GLY A 483 6.034 -16.959 -0.747 1.00 5.34 C ATOM 548 O GLY A 483 6.736 -17.373 0.190 1.00 74.31 O ATOM 0 H GLY A 483 4.787 -18.706 0.735 1.00 72.13 H new ATOM 0 HA2 GLY A 483 4.639 -18.262 -1.709 1.00 2.41 H new ATOM 0 HA3 GLY A 483 3.980 -16.697 -1.277 1.00 2.41 H new ATOM 552 N GLY A 484 6.432 -16.053 -1.597 1.00 32.13 N ATOM 553 CA GLY A 484 7.735 -15.459 -1.511 1.00 34.21 C ATOM 554 C GLY A 484 7.810 -14.200 -2.327 1.00 20.22 C ATOM 555 O GLY A 484 8.065 -14.250 -3.529 1.00 1.14 O ATOM 0 H GLY A 484 5.861 -15.707 -2.368 1.00 32.13 H new ATOM 0 HA2 GLY A 484 7.968 -15.236 -0.470 1.00 34.21 H new ATOM 0 HA3 GLY A 484 8.485 -16.168 -1.861 1.00 34.21 H new ATOM 559 N SER A 485 7.587 -13.074 -1.679 1.00 32.02 N ATOM 560 CA SER A 485 7.587 -11.783 -2.343 1.00 62.10 C ATOM 561 C SER A 485 7.491 -10.668 -1.306 1.00 14.31 C ATOM 562 O SER A 485 8.230 -9.674 -1.382 1.00 23.31 O ATOM 563 CB SER A 485 6.409 -11.689 -3.350 1.00 62.11 C ATOM 564 OG SER A 485 6.394 -10.447 -4.030 1.00 42.11 O ATOM 0 H SER A 485 7.401 -13.027 -0.677 1.00 32.02 H new ATOM 0 HA SER A 485 8.519 -11.672 -2.897 1.00 62.10 H new ATOM 0 HB2 SER A 485 6.486 -12.499 -4.075 1.00 62.11 H new ATOM 0 HB3 SER A 485 5.466 -11.824 -2.820 1.00 62.11 H new ATOM 0 HG SER A 485 5.640 -10.426 -4.656 1.00 42.11 H new ATOM 570 N ALA A 486 6.590 -10.868 -0.328 1.00 42.04 N ATOM 571 CA ALA A 486 6.297 -9.899 0.744 1.00 75.11 C ATOM 572 C ALA A 486 5.504 -8.711 0.189 1.00 54.10 C ATOM 573 O ALA A 486 6.088 -7.768 -0.380 1.00 31.40 O ATOM 574 CB ALA A 486 7.565 -9.425 1.476 1.00 23.30 C ATOM 0 H ALA A 486 6.036 -11.721 -0.259 1.00 42.04 H new ATOM 0 HA ALA A 486 5.686 -10.414 1.486 1.00 75.11 H new ATOM 0 HB1 ALA A 486 7.291 -8.713 2.255 1.00 23.30 H new ATOM 0 HB2 ALA A 486 8.066 -10.281 1.927 1.00 23.30 H new ATOM 0 HB3 ALA A 486 8.237 -8.944 0.765 1.00 23.30 H new ATOM 580 N PRO A 487 4.161 -8.774 0.283 1.00 73.23 N ATOM 581 CA PRO A 487 3.277 -7.725 -0.219 1.00 60.33 C ATOM 582 C PRO A 487 3.413 -6.416 0.553 1.00 73.44 C ATOM 583 O PRO A 487 3.895 -6.380 1.703 1.00 74.43 O ATOM 584 CB PRO A 487 1.864 -8.303 -0.032 1.00 21.55 C ATOM 585 CG PRO A 487 2.069 -9.756 0.207 1.00 52.25 C ATOM 586 CD PRO A 487 3.398 -9.875 0.876 1.00 21.02 C ATOM 0 HA PRO A 487 3.516 -7.474 -1.252 1.00 60.33 H new ATOM 0 HB2 PRO A 487 1.354 -7.833 0.809 1.00 21.55 H new ATOM 0 HB3 PRO A 487 1.248 -8.132 -0.915 1.00 21.55 H new ATOM 0 HG2 PRO A 487 1.277 -10.164 0.835 1.00 52.25 H new ATOM 0 HG3 PRO A 487 2.052 -10.313 -0.730 1.00 52.25 H new ATOM 0 HD2 PRO A 487 3.316 -9.773 1.958 1.00 21.02 H new ATOM 0 HD3 PRO A 487 3.864 -10.841 0.681 1.00 21.02 H new ATOM 594 N ILE A 488 2.979 -5.356 -0.076 1.00 65.14 N ATOM 595 CA ILE A 488 3.057 -4.041 0.482 1.00 11.31 C ATOM 596 C ILE A 488 1.711 -3.694 1.107 1.00 40.23 C ATOM 597 O ILE A 488 0.664 -3.957 0.523 1.00 53.14 O ATOM 598 CB ILE A 488 3.403 -3.013 -0.625 1.00 12.02 C ATOM 599 CG1 ILE A 488 4.705 -3.408 -1.349 1.00 30.41 C ATOM 600 CG2 ILE A 488 3.514 -1.609 -0.058 1.00 33.22 C ATOM 601 CD1 ILE A 488 5.934 -3.492 -0.458 1.00 64.31 C ATOM 0 H ILE A 488 2.556 -5.387 -1.004 1.00 65.14 H new ATOM 0 HA ILE A 488 3.838 -4.010 1.241 1.00 11.31 H new ATOM 0 HB ILE A 488 2.589 -3.019 -1.349 1.00 12.02 H new ATOM 0 HG12 ILE A 488 4.557 -4.375 -1.830 1.00 30.41 H new ATOM 0 HG13 ILE A 488 4.897 -2.684 -2.141 1.00 30.41 H new ATOM 0 HG21 ILE A 488 3.758 -0.911 -0.859 1.00 33.22 H new ATOM 0 HG22 ILE A 488 2.565 -1.324 0.396 1.00 33.22 H new ATOM 0 HG23 ILE A 488 4.299 -1.583 0.697 1.00 33.22 H new ATOM 0 HD11 ILE A 488 6.799 -3.776 -1.057 1.00 64.31 H new ATOM 0 HD12 ILE A 488 6.116 -2.522 0.004 1.00 64.31 H new ATOM 0 HD13 ILE A 488 5.770 -4.239 0.319 1.00 64.31 H new ATOM 613 N TYR A 489 1.739 -3.135 2.279 1.00 54.24 N ATOM 614 CA TYR A 489 0.540 -2.795 2.993 1.00 12.23 C ATOM 615 C TYR A 489 0.565 -1.368 3.411 1.00 43.41 C ATOM 616 O TYR A 489 1.629 -0.777 3.540 1.00 4.12 O ATOM 617 CB TYR A 489 0.368 -3.689 4.219 1.00 24.42 C ATOM 618 CG TYR A 489 0.181 -5.129 3.870 1.00 32.54 C ATOM 619 CD1 TYR A 489 -1.050 -5.592 3.488 1.00 64.42 C ATOM 620 CD2 TYR A 489 1.236 -6.021 3.905 1.00 73.14 C ATOM 621 CE1 TYR A 489 -1.244 -6.901 3.151 1.00 15.23 C ATOM 622 CE2 TYR A 489 1.052 -7.340 3.566 1.00 23.52 C ATOM 623 CZ TYR A 489 -0.191 -7.774 3.194 1.00 11.34 C ATOM 624 OH TYR A 489 -0.385 -9.085 2.865 1.00 1.13 O ATOM 0 H TYR A 489 2.600 -2.899 2.773 1.00 54.24 H new ATOM 0 HA TYR A 489 -0.305 -2.952 2.322 1.00 12.23 H new ATOM 0 HB2 TYR A 489 1.243 -3.587 4.861 1.00 24.42 H new ATOM 0 HB3 TYR A 489 -0.492 -3.346 4.794 1.00 24.42 H new ATOM 0 HD1 TYR A 489 -1.885 -4.908 3.453 1.00 64.42 H new ATOM 0 HD2 TYR A 489 2.216 -5.678 4.202 1.00 73.14 H new ATOM 0 HE1 TYR A 489 -2.223 -7.245 2.852 1.00 15.23 H new ATOM 0 HE2 TYR A 489 1.883 -8.029 3.593 1.00 23.52 H new ATOM 0 HH TYR A 489 0.462 -9.571 2.946 1.00 1.13 H new ATOM 634 N VAL A 490 -0.591 -0.813 3.616 1.00 3.13 N ATOM 635 CA VAL A 490 -0.693 0.538 4.061 1.00 42.22 C ATOM 636 C VAL A 490 -0.516 0.541 5.568 1.00 55.32 C ATOM 637 O VAL A 490 -1.295 -0.070 6.300 1.00 14.22 O ATOM 638 CB VAL A 490 -2.060 1.164 3.700 1.00 41.41 C ATOM 639 CG1 VAL A 490 -2.085 2.645 4.055 1.00 55.14 C ATOM 640 CG2 VAL A 490 -2.382 0.958 2.231 1.00 12.14 C ATOM 0 H VAL A 490 -1.485 -1.284 3.479 1.00 3.13 H new ATOM 0 HA VAL A 490 0.074 1.134 3.567 1.00 42.22 H new ATOM 0 HB VAL A 490 -2.827 0.659 4.287 1.00 41.41 H new ATOM 0 HG11 VAL A 490 -3.056 3.066 3.793 1.00 55.14 H new ATOM 0 HG12 VAL A 490 -1.914 2.766 5.125 1.00 55.14 H new ATOM 0 HG13 VAL A 490 -1.303 3.165 3.502 1.00 55.14 H new ATOM 0 HG21 VAL A 490 -3.349 1.408 2.004 1.00 12.14 H new ATOM 0 HG22 VAL A 490 -1.611 1.427 1.620 1.00 12.14 H new ATOM 0 HG23 VAL A 490 -2.418 -0.109 2.013 1.00 12.14 H new ATOM 650 N LYS A 491 0.488 1.216 6.008 1.00 11.25 N ATOM 651 CA LYS A 491 0.845 1.277 7.394 1.00 31.04 C ATOM 652 C LYS A 491 0.040 2.364 8.075 1.00 41.21 C ATOM 653 O LYS A 491 -0.663 2.120 9.056 1.00 54.24 O ATOM 654 CB LYS A 491 2.337 1.604 7.501 1.00 73.31 C ATOM 655 CG LYS A 491 2.889 1.642 8.859 1.00 71.21 C ATOM 656 CD LYS A 491 4.335 2.024 8.784 1.00 4.32 C ATOM 657 CE LYS A 491 4.996 1.788 10.079 1.00 71.43 C ATOM 658 NZ LYS A 491 4.407 2.595 11.177 1.00 24.11 N ATOM 0 H LYS A 491 1.104 1.758 5.402 1.00 11.25 H new ATOM 0 HA LYS A 491 0.637 0.322 7.876 1.00 31.04 H new ATOM 0 HB2 LYS A 491 2.893 0.865 6.924 1.00 73.31 H new ATOM 0 HB3 LYS A 491 2.511 2.572 7.032 1.00 73.31 H new ATOM 0 HG2 LYS A 491 2.341 2.360 9.469 1.00 71.21 H new ATOM 0 HG3 LYS A 491 2.781 0.669 9.337 1.00 71.21 H new ATOM 0 HD2 LYS A 491 4.831 1.445 8.005 1.00 4.32 H new ATOM 0 HD3 LYS A 491 4.426 3.074 8.508 1.00 4.32 H new ATOM 0 HE2 LYS A 491 4.924 0.730 10.332 1.00 71.43 H new ATOM 0 HE3 LYS A 491 6.057 2.023 9.989 1.00 71.43 H new ATOM 0 HZ1 LYS A 491 5.160 3.125 11.661 1.00 24.11 H new ATOM 0 HZ2 LYS A 491 3.712 3.261 10.784 1.00 24.11 H new ATOM 0 HZ3 LYS A 491 3.936 1.965 11.857 1.00 24.11 H new ATOM 672 N ASN A 492 0.125 3.553 7.530 1.00 40.42 N ATOM 673 CA ASN A 492 -0.525 4.705 8.117 1.00 44.23 C ATOM 674 C ASN A 492 -1.200 5.565 7.096 1.00 22.01 C ATOM 675 O ASN A 492 -0.854 5.548 5.912 1.00 41.42 O ATOM 676 CB ASN A 492 0.461 5.593 8.894 1.00 43.23 C ATOM 677 CG ASN A 492 0.988 4.993 10.176 1.00 63.40 C ATOM 678 OD1 ASN A 492 2.028 4.325 10.200 1.00 61.00 O ATOM 679 ND2 ASN A 492 0.284 5.227 11.245 1.00 20.31 N ATOM 0 H ASN A 492 0.642 3.751 6.673 1.00 40.42 H new ATOM 0 HA ASN A 492 -1.270 4.290 8.796 1.00 44.23 H new ATOM 0 HB2 ASN A 492 1.306 5.826 8.245 1.00 43.23 H new ATOM 0 HB3 ASN A 492 -0.031 6.537 9.128 1.00 43.23 H new ATOM 0 HD21 ASN A 492 0.585 4.854 12.145 1.00 20.31 H new ATOM 0 HD22 ASN A 492 -0.569 5.783 11.182 1.00 20.31 H new ATOM 686 N ILE A 493 -2.154 6.305 7.576 1.00 61.21 N ATOM 687 CA ILE A 493 -2.861 7.327 6.846 1.00 33.12 C ATOM 688 C ILE A 493 -2.633 8.626 7.601 1.00 25.54 C ATOM 689 O ILE A 493 -3.017 8.746 8.773 1.00 15.14 O ATOM 690 CB ILE A 493 -4.394 7.005 6.758 1.00 53.54 C ATOM 691 CG1 ILE A 493 -4.660 5.808 5.859 1.00 1.13 C ATOM 692 CG2 ILE A 493 -5.223 8.184 6.293 1.00 31.13 C ATOM 693 CD1 ILE A 493 -4.292 6.017 4.404 1.00 42.45 C ATOM 0 H ILE A 493 -2.481 6.211 8.538 1.00 61.21 H new ATOM 0 HA ILE A 493 -2.497 7.391 5.821 1.00 33.12 H new ATOM 0 HB ILE A 493 -4.702 6.767 7.776 1.00 53.54 H new ATOM 0 HG12 ILE A 493 -4.104 4.952 6.241 1.00 1.13 H new ATOM 0 HG13 ILE A 493 -5.718 5.553 5.919 1.00 1.13 H new ATOM 0 HG21 ILE A 493 -6.274 7.897 6.253 1.00 31.13 H new ATOM 0 HG22 ILE A 493 -5.100 9.013 6.990 1.00 31.13 H new ATOM 0 HG23 ILE A 493 -4.893 8.492 5.301 1.00 31.13 H new ATOM 0 HD11 ILE A 493 -4.516 5.112 3.839 1.00 42.45 H new ATOM 0 HD12 ILE A 493 -4.867 6.850 3.999 1.00 42.45 H new ATOM 0 HD13 ILE A 493 -3.228 6.240 4.326 1.00 42.45 H new ATOM 705 N LEU A 494 -1.963 9.544 6.962 1.00 31.02 N ATOM 706 CA LEU A 494 -1.608 10.837 7.535 1.00 35.23 C ATOM 707 C LEU A 494 -2.858 11.684 7.885 1.00 4.03 C ATOM 708 O LEU A 494 -3.963 11.403 7.404 1.00 72.41 O ATOM 709 CB LEU A 494 -0.632 11.601 6.588 1.00 34.20 C ATOM 710 CG LEU A 494 0.860 11.153 6.574 1.00 63.35 C ATOM 711 CD1 LEU A 494 1.040 9.700 6.154 1.00 44.42 C ATOM 712 CD2 LEU A 494 1.680 12.070 5.678 1.00 31.40 C ATOM 0 H LEU A 494 -1.635 9.423 6.004 1.00 31.02 H new ATOM 0 HA LEU A 494 -1.092 10.655 8.478 1.00 35.23 H new ATOM 0 HB2 LEU A 494 -1.017 11.518 5.572 1.00 34.20 H new ATOM 0 HB3 LEU A 494 -0.663 12.657 6.855 1.00 34.20 H new ATOM 0 HG LEU A 494 1.221 11.230 7.600 1.00 63.35 H new ATOM 0 HD11 LEU A 494 2.100 9.447 6.164 1.00 44.42 H new ATOM 0 HD12 LEU A 494 0.506 9.052 6.849 1.00 44.42 H new ATOM 0 HD13 LEU A 494 0.643 9.560 5.149 1.00 44.42 H new ATOM 0 HD21 LEU A 494 2.720 11.744 5.679 1.00 31.40 H new ATOM 0 HD22 LEU A 494 1.288 12.031 4.662 1.00 31.40 H new ATOM 0 HD23 LEU A 494 1.620 13.092 6.051 1.00 31.40 H new ATOM 724 N PRO A 495 -2.699 12.739 8.732 1.00 1.20 N ATOM 725 CA PRO A 495 -3.828 13.622 9.183 1.00 11.03 C ATOM 726 C PRO A 495 -4.259 14.563 8.083 1.00 20.24 C ATOM 727 O PRO A 495 -5.221 15.313 8.219 1.00 3.24 O ATOM 728 CB PRO A 495 -3.128 14.470 10.238 1.00 63.35 C ATOM 729 CG PRO A 495 -1.784 14.618 9.634 1.00 71.35 C ATOM 730 CD PRO A 495 -1.420 13.213 9.331 1.00 24.15 C ATOM 0 HA PRO A 495 -4.706 13.060 9.502 1.00 11.03 H new ATOM 0 HB2 PRO A 495 -3.621 15.431 10.389 1.00 63.35 H new ATOM 0 HB3 PRO A 495 -3.092 13.975 11.208 1.00 63.35 H new ATOM 0 HG2 PRO A 495 -1.807 15.235 8.736 1.00 71.35 H new ATOM 0 HG3 PRO A 495 -1.077 15.082 10.322 1.00 71.35 H new ATOM 0 HD2 PRO A 495 -0.582 13.140 8.637 1.00 24.15 H new ATOM 0 HD3 PRO A 495 -1.145 12.652 10.224 1.00 24.15 H new ATOM 738 N ARG A 496 -3.526 14.514 7.018 1.00 30.30 N ATOM 739 CA ARG A 496 -3.637 15.387 5.916 1.00 73.03 C ATOM 740 C ARG A 496 -3.039 14.705 4.730 1.00 31.13 C ATOM 741 O ARG A 496 -2.479 13.609 4.835 1.00 12.45 O ATOM 742 CB ARG A 496 -2.921 16.709 6.168 1.00 54.31 C ATOM 743 CG ARG A 496 -3.572 17.626 7.185 1.00 62.52 C ATOM 744 CD ARG A 496 -2.805 18.911 7.335 1.00 11.42 C ATOM 745 NE ARG A 496 -3.366 19.761 8.380 1.00 12.43 N ATOM 746 CZ ARG A 496 -2.719 20.779 8.943 1.00 53.15 C ATOM 747 NH1 ARG A 496 -1.507 21.104 8.529 1.00 12.23 N ATOM 748 NH2 ARG A 496 -3.287 21.470 9.918 1.00 61.04 N ATOM 0 H ARG A 496 -2.791 13.817 6.896 1.00 30.30 H new ATOM 0 HA ARG A 496 -4.689 15.618 5.747 1.00 73.03 H new ATOM 0 HB2 ARG A 496 -1.905 16.493 6.498 1.00 54.31 H new ATOM 0 HB3 ARG A 496 -2.842 17.244 5.222 1.00 54.31 H new ATOM 0 HG2 ARG A 496 -4.595 17.845 6.878 1.00 62.52 H new ATOM 0 HG3 ARG A 496 -3.630 17.120 8.149 1.00 62.52 H new ATOM 0 HD2 ARG A 496 -1.764 18.687 7.569 1.00 11.42 H new ATOM 0 HD3 ARG A 496 -2.810 19.450 6.387 1.00 11.42 H new ATOM 0 HE ARG A 496 -4.314 19.562 8.699 1.00 12.43 H new ATOM 0 HH11 ARG A 496 -1.066 20.575 7.777 1.00 12.23 H new ATOM 0 HH12 ARG A 496 -1.013 21.884 8.961 1.00 12.23 H new ATOM 0 HH21 ARG A 496 -4.223 21.223 10.240 1.00 61.04 H new ATOM 0 HH22 ARG A 496 -2.789 22.250 10.348 1.00 61.04 H new ATOM 762 N GLY A 497 -3.170 15.324 3.651 1.00 11.01 N ATOM 763 CA GLY A 497 -2.703 14.779 2.412 1.00 22.14 C ATOM 764 C GLY A 497 -3.840 14.303 1.529 1.00 51.34 C ATOM 765 O GLY A 497 -5.007 14.428 1.887 1.00 53.51 O ATOM 0 H GLY A 497 -3.608 16.242 3.570 1.00 11.01 H new ATOM 0 HA2 GLY A 497 -2.124 15.534 1.880 1.00 22.14 H new ATOM 0 HA3 GLY A 497 -2.030 13.946 2.615 1.00 22.14 H new ATOM 769 N ALA A 498 -3.485 13.712 0.406 1.00 61.41 N ATOM 770 CA ALA A 498 -4.407 13.291 -0.592 1.00 43.14 C ATOM 771 C ALA A 498 -5.392 12.287 -0.028 1.00 45.24 C ATOM 772 O ALA A 498 -6.607 12.433 -0.165 1.00 32.32 O ATOM 773 CB ALA A 498 -3.654 12.636 -1.745 1.00 52.13 C ATOM 0 H ALA A 498 -2.513 13.512 0.170 1.00 61.41 H new ATOM 0 HA ALA A 498 -4.950 14.169 -0.942 1.00 43.14 H new ATOM 0 HB1 ALA A 498 -4.364 12.315 -2.507 1.00 52.13 H new ATOM 0 HB2 ALA A 498 -2.956 13.353 -2.178 1.00 52.13 H new ATOM 0 HB3 ALA A 498 -3.103 11.771 -1.375 1.00 52.13 H new ATOM 779 N ALA A 499 -4.835 11.289 0.668 1.00 62.14 N ATOM 780 CA ALA A 499 -5.579 10.142 1.160 1.00 70.31 C ATOM 781 C ALA A 499 -6.727 10.531 2.053 1.00 5.33 C ATOM 782 O ALA A 499 -7.786 9.939 1.969 1.00 31.33 O ATOM 783 CB ALA A 499 -4.652 9.175 1.877 1.00 15.34 C ATOM 0 H ALA A 499 -3.843 11.262 0.904 1.00 62.14 H new ATOM 0 HA ALA A 499 -6.010 9.649 0.289 1.00 70.31 H new ATOM 0 HB1 ALA A 499 -5.226 8.322 2.239 1.00 15.34 H new ATOM 0 HB2 ALA A 499 -3.883 8.829 1.187 1.00 15.34 H new ATOM 0 HB3 ALA A 499 -4.181 9.680 2.721 1.00 15.34 H new ATOM 789 N ILE A 500 -6.508 11.480 2.920 1.00 62.53 N ATOM 790 CA ILE A 500 -7.549 11.952 3.805 1.00 32.22 C ATOM 791 C ILE A 500 -8.499 12.962 3.131 1.00 23.33 C ATOM 792 O ILE A 500 -9.710 12.869 3.292 1.00 61.43 O ATOM 793 CB ILE A 500 -6.973 12.490 5.104 1.00 44.34 C ATOM 794 CG1 ILE A 500 -8.059 12.905 6.081 1.00 50.05 C ATOM 795 CG2 ILE A 500 -6.062 13.621 4.832 1.00 62.15 C ATOM 796 CD1 ILE A 500 -7.503 13.386 7.386 1.00 60.23 C ATOM 0 H ILE A 500 -5.610 11.949 3.037 1.00 62.53 H new ATOM 0 HA ILE A 500 -8.162 11.085 4.052 1.00 32.22 H new ATOM 0 HB ILE A 500 -6.409 11.682 5.571 1.00 44.34 H new ATOM 0 HG12 ILE A 500 -8.663 13.695 5.634 1.00 50.05 H new ATOM 0 HG13 ILE A 500 -8.723 12.060 6.262 1.00 50.05 H new ATOM 0 HG21 ILE A 500 -5.657 13.996 5.772 1.00 62.15 H new ATOM 0 HG22 ILE A 500 -5.245 13.285 4.193 1.00 62.15 H new ATOM 0 HG23 ILE A 500 -6.611 14.418 4.330 1.00 62.15 H new ATOM 0 HD11 ILE A 500 -8.321 13.670 8.048 1.00 60.23 H new ATOM 0 HD12 ILE A 500 -6.922 12.589 7.850 1.00 60.23 H new ATOM 0 HD13 ILE A 500 -6.861 14.249 7.212 1.00 60.23 H new ATOM 808 N GLN A 501 -7.938 13.923 2.366 1.00 35.42 N ATOM 809 CA GLN A 501 -8.744 14.927 1.672 1.00 15.44 C ATOM 810 C GLN A 501 -9.742 14.303 0.701 1.00 74.24 C ATOM 811 O GLN A 501 -10.871 14.783 0.572 1.00 15.13 O ATOM 812 CB GLN A 501 -7.880 16.015 1.001 1.00 65.03 C ATOM 813 CG GLN A 501 -7.500 17.219 1.900 1.00 33.45 C ATOM 814 CD GLN A 501 -6.746 16.896 3.184 1.00 72.42 C ATOM 815 OE1 GLN A 501 -5.515 16.855 3.216 1.00 43.35 O ATOM 816 NE2 GLN A 501 -7.473 16.702 4.253 1.00 72.40 N ATOM 0 H GLN A 501 -6.933 14.017 2.219 1.00 35.42 H new ATOM 0 HA GLN A 501 -9.332 15.429 2.440 1.00 15.44 H new ATOM 0 HB2 GLN A 501 -6.962 15.552 0.638 1.00 65.03 H new ATOM 0 HB3 GLN A 501 -8.414 16.391 0.128 1.00 65.03 H new ATOM 0 HG2 GLN A 501 -6.893 17.906 1.311 1.00 33.45 H new ATOM 0 HG3 GLN A 501 -8.415 17.749 2.165 1.00 33.45 H new ATOM 0 HE21 GLN A 501 -8.490 16.743 4.192 1.00 72.40 H new ATOM 0 HE22 GLN A 501 -7.023 16.510 5.148 1.00 72.40 H new ATOM 825 N ASP A 502 -9.345 13.247 0.028 1.00 35.43 N ATOM 826 CA ASP A 502 -10.293 12.506 -0.807 1.00 2.24 C ATOM 827 C ASP A 502 -10.958 11.431 0.009 1.00 32.50 C ATOM 828 O ASP A 502 -12.132 11.114 -0.196 1.00 23.30 O ATOM 829 CB ASP A 502 -9.653 11.888 -2.054 1.00 32.43 C ATOM 830 CG ASP A 502 -9.391 12.868 -3.182 1.00 52.44 C ATOM 831 OD1 ASP A 502 -8.329 13.516 -3.205 1.00 73.41 O ATOM 832 OD2 ASP A 502 -10.262 12.977 -4.090 1.00 70.44 O ATOM 0 H ASP A 502 -8.394 12.879 0.034 1.00 35.43 H new ATOM 0 HA ASP A 502 -11.029 13.229 -1.159 1.00 2.24 H new ATOM 0 HB2 ASP A 502 -8.710 11.422 -1.769 1.00 32.43 H new ATOM 0 HB3 ASP A 502 -10.302 11.094 -2.424 1.00 32.43 H new ATOM 837 N GLY A 503 -10.206 10.876 0.958 1.00 53.05 N ATOM 838 CA GLY A 503 -10.728 9.862 1.833 1.00 14.43 C ATOM 839 C GLY A 503 -11.161 8.612 1.120 1.00 21.21 C ATOM 840 O GLY A 503 -12.283 8.140 1.306 1.00 30.35 O ATOM 0 H GLY A 503 -9.231 11.122 1.130 1.00 53.05 H new ATOM 0 HA2 GLY A 503 -9.967 9.604 2.570 1.00 14.43 H new ATOM 0 HA3 GLY A 503 -11.578 10.270 2.381 1.00 14.43 H new ATOM 844 N ARG A 504 -10.307 8.079 0.298 1.00 31.13 N ATOM 845 CA ARG A 504 -10.671 6.889 -0.444 1.00 71.03 C ATOM 846 C ARG A 504 -9.780 5.710 -0.076 1.00 64.53 C ATOM 847 O ARG A 504 -10.133 4.565 -0.311 1.00 44.01 O ATOM 848 CB ARG A 504 -10.605 7.140 -1.952 1.00 42.33 C ATOM 849 CG ARG A 504 -11.412 8.333 -2.454 1.00 20.23 C ATOM 850 CD ARG A 504 -12.897 8.242 -2.114 1.00 0.53 C ATOM 851 NE ARG A 504 -13.634 9.438 -2.569 1.00 21.24 N ATOM 852 CZ ARG A 504 -14.831 9.844 -2.101 1.00 43.55 C ATOM 853 NH1 ARG A 504 -15.450 9.169 -1.138 1.00 35.44 N ATOM 854 NH2 ARG A 504 -15.397 10.933 -2.597 1.00 60.20 N ATOM 0 H ARG A 504 -9.368 8.434 0.120 1.00 31.13 H new ATOM 0 HA ARG A 504 -11.698 6.642 -0.173 1.00 71.03 H new ATOM 0 HB2 ARG A 504 -9.562 7.285 -2.234 1.00 42.33 H new ATOM 0 HB3 ARG A 504 -10.953 6.245 -2.467 1.00 42.33 H new ATOM 0 HG2 ARG A 504 -11.003 9.247 -2.023 1.00 20.23 H new ATOM 0 HG3 ARG A 504 -11.298 8.411 -3.535 1.00 20.23 H new ATOM 0 HD2 ARG A 504 -13.323 7.353 -2.579 1.00 0.53 H new ATOM 0 HD3 ARG A 504 -13.018 8.128 -1.037 1.00 0.53 H new ATOM 0 HE ARG A 504 -13.201 10.004 -3.299 1.00 21.24 H new ATOM 0 HH11 ARG A 504 -15.019 8.333 -0.744 1.00 35.44 H new ATOM 0 HH12 ARG A 504 -16.356 9.487 -0.793 1.00 35.44 H new ATOM 0 HH21 ARG A 504 -14.927 11.463 -3.331 1.00 60.20 H new ATOM 0 HH22 ARG A 504 -16.303 11.243 -2.245 1.00 60.20 H new ATOM 868 N LEU A 505 -8.642 5.989 0.509 1.00 73.45 N ATOM 869 CA LEU A 505 -7.693 4.947 0.851 1.00 42.12 C ATOM 870 C LEU A 505 -7.470 4.956 2.348 1.00 34.21 C ATOM 871 O LEU A 505 -7.383 6.024 2.957 1.00 10.30 O ATOM 872 CB LEU A 505 -6.375 5.168 0.050 1.00 34.21 C ATOM 873 CG LEU A 505 -5.270 4.078 0.102 1.00 62.23 C ATOM 874 CD1 LEU A 505 -4.276 4.320 -1.000 1.00 54.44 C ATOM 875 CD2 LEU A 505 -4.525 4.091 1.419 1.00 33.33 C ATOM 0 H LEU A 505 -8.345 6.932 0.761 1.00 73.45 H new ATOM 0 HA LEU A 505 -8.078 3.964 0.580 1.00 42.12 H new ATOM 0 HB2 LEU A 505 -6.646 5.312 -0.996 1.00 34.21 H new ATOM 0 HB3 LEU A 505 -5.932 6.102 0.396 1.00 34.21 H new ATOM 0 HG LEU A 505 -5.760 3.111 -0.013 1.00 62.23 H new ATOM 0 HD11 LEU A 505 -3.500 3.555 -0.964 1.00 54.44 H new ATOM 0 HD12 LEU A 505 -4.784 4.277 -1.964 1.00 54.44 H new ATOM 0 HD13 LEU A 505 -3.823 5.303 -0.872 1.00 54.44 H new ATOM 0 HD21 LEU A 505 -3.761 3.313 1.413 1.00 33.33 H new ATOM 0 HD22 LEU A 505 -4.052 5.063 1.560 1.00 33.33 H new ATOM 0 HD23 LEU A 505 -5.224 3.906 2.234 1.00 33.33 H new ATOM 887 N LYS A 506 -7.397 3.777 2.932 1.00 63.11 N ATOM 888 CA LYS A 506 -7.206 3.627 4.357 1.00 41.44 C ATOM 889 C LYS A 506 -6.110 2.624 4.721 1.00 33.53 C ATOM 890 O LYS A 506 -5.722 1.792 3.900 1.00 63.40 O ATOM 891 CB LYS A 506 -8.543 3.404 5.106 1.00 2.53 C ATOM 892 CG LYS A 506 -9.594 2.515 4.385 1.00 10.44 C ATOM 893 CD LYS A 506 -9.159 1.063 4.121 1.00 11.33 C ATOM 894 CE LYS A 506 -8.951 0.274 5.402 1.00 50.21 C ATOM 895 NZ LYS A 506 -8.689 -1.163 5.126 1.00 35.41 N ATOM 0 H LYS A 506 -7.469 2.893 2.428 1.00 63.11 H new ATOM 0 HA LYS A 506 -6.824 4.581 4.719 1.00 41.44 H new ATOM 0 HB2 LYS A 506 -8.322 2.956 6.075 1.00 2.53 H new ATOM 0 HB3 LYS A 506 -8.993 4.377 5.300 1.00 2.53 H new ATOM 0 HG2 LYS A 506 -10.505 2.501 4.984 1.00 10.44 H new ATOM 0 HG3 LYS A 506 -9.846 2.980 3.432 1.00 10.44 H new ATOM 0 HD2 LYS A 506 -9.914 0.567 3.511 1.00 11.33 H new ATOM 0 HD3 LYS A 506 -8.234 1.064 3.545 1.00 11.33 H new ATOM 0 HE2 LYS A 506 -8.114 0.696 5.958 1.00 50.21 H new ATOM 0 HE3 LYS A 506 -9.834 0.368 6.035 1.00 50.21 H new ATOM 0 HZ1 LYS A 506 -9.537 -1.720 5.352 1.00 35.41 H new ATOM 0 HZ2 LYS A 506 -8.452 -1.286 4.121 1.00 35.41 H new ATOM 0 HZ3 LYS A 506 -7.894 -1.490 5.712 1.00 35.41 H new ATOM 909 N ALA A 507 -5.620 2.726 5.949 1.00 65.43 N ATOM 910 CA ALA A 507 -4.508 1.938 6.433 1.00 24.44 C ATOM 911 C ALA A 507 -4.934 0.535 6.818 1.00 20.52 C ATOM 912 O ALA A 507 -6.129 0.242 6.929 1.00 11.44 O ATOM 913 CB ALA A 507 -3.830 2.641 7.607 1.00 61.01 C ATOM 0 H ALA A 507 -5.995 3.371 6.644 1.00 65.43 H new ATOM 0 HA ALA A 507 -3.790 1.844 5.618 1.00 24.44 H new ATOM 0 HB1 ALA A 507 -2.995 2.036 7.960 1.00 61.01 H new ATOM 0 HB2 ALA A 507 -3.461 3.615 7.284 1.00 61.01 H new ATOM 0 HB3 ALA A 507 -4.549 2.775 8.415 1.00 61.01 H new ATOM 919 N GLY A 508 -3.949 -0.331 7.008 1.00 11.32 N ATOM 920 CA GLY A 508 -4.210 -1.710 7.346 1.00 24.41 C ATOM 921 C GLY A 508 -4.726 -2.465 6.153 1.00 54.00 C ATOM 922 O GLY A 508 -5.344 -3.517 6.284 1.00 53.22 O ATOM 0 H GLY A 508 -2.960 -0.095 6.932 1.00 11.32 H new ATOM 0 HA2 GLY A 508 -3.296 -2.179 7.711 1.00 24.41 H new ATOM 0 HA3 GLY A 508 -4.938 -1.759 8.155 1.00 24.41 H new ATOM 926 N ASP A 509 -4.465 -1.925 4.987 1.00 12.15 N ATOM 927 CA ASP A 509 -4.964 -2.487 3.760 1.00 2.33 C ATOM 928 C ASP A 509 -3.768 -2.893 2.919 1.00 70.12 C ATOM 929 O ASP A 509 -2.635 -2.572 3.283 1.00 30.30 O ATOM 930 CB ASP A 509 -5.794 -1.432 3.031 1.00 10.14 C ATOM 931 CG ASP A 509 -6.812 -2.031 2.111 1.00 51.51 C ATOM 932 OD1 ASP A 509 -6.485 -2.380 0.990 1.00 13.33 O ATOM 933 OD2 ASP A 509 -7.984 -2.177 2.561 1.00 3.52 O ATOM 0 H ASP A 509 -3.901 -1.084 4.864 1.00 12.15 H new ATOM 0 HA ASP A 509 -5.595 -3.355 3.951 1.00 2.33 H new ATOM 0 HB2 ASP A 509 -6.299 -0.803 3.764 1.00 10.14 H new ATOM 0 HB3 ASP A 509 -5.129 -0.785 2.459 1.00 10.14 H new ATOM 938 N ARG A 510 -3.981 -3.563 1.820 1.00 21.30 N ATOM 939 CA ARG A 510 -2.865 -4.006 1.004 1.00 71.35 C ATOM 940 C ARG A 510 -2.767 -3.192 -0.265 1.00 21.22 C ATOM 941 O ARG A 510 -3.757 -2.955 -0.922 1.00 73.22 O ATOM 942 CB ARG A 510 -2.967 -5.505 0.638 1.00 11.14 C ATOM 943 CG ARG A 510 -1.800 -5.966 -0.241 1.00 32.02 C ATOM 944 CD ARG A 510 -1.948 -7.368 -0.811 1.00 42.22 C ATOM 945 NE ARG A 510 -1.880 -8.421 0.195 1.00 5.24 N ATOM 946 CZ ARG A 510 -1.740 -9.733 -0.078 1.00 72.40 C ATOM 947 NH1 ARG A 510 -1.687 -10.168 -1.340 1.00 3.51 N ATOM 948 NH2 ARG A 510 -1.631 -10.598 0.912 1.00 1.15 N ATOM 0 H ARG A 510 -4.903 -3.816 1.465 1.00 21.30 H new ATOM 0 HA ARG A 510 -1.967 -3.860 1.604 1.00 71.35 H new ATOM 0 HB2 ARG A 510 -2.989 -6.100 1.551 1.00 11.14 H new ATOM 0 HB3 ARG A 510 -3.907 -5.687 0.116 1.00 11.14 H new ATOM 0 HG2 ARG A 510 -1.685 -5.263 -1.066 1.00 32.02 H new ATOM 0 HG3 ARG A 510 -0.882 -5.922 0.345 1.00 32.02 H new ATOM 0 HD2 ARG A 510 -2.902 -7.439 -1.334 1.00 42.22 H new ATOM 0 HD3 ARG A 510 -1.165 -7.534 -1.551 1.00 42.22 H new ATOM 0 HE ARG A 510 -1.943 -8.145 1.175 1.00 5.24 H new ATOM 0 HH11 ARG A 510 -1.753 -9.504 -2.111 1.00 3.51 H new ATOM 0 HH12 ARG A 510 -1.581 -11.164 -1.532 1.00 3.51 H new ATOM 0 HH21 ARG A 510 -1.653 -10.272 1.878 1.00 1.15 H new ATOM 0 HH22 ARG A 510 -1.525 -11.592 0.711 1.00 1.15 H new ATOM 962 N LEU A 511 -1.571 -2.780 -0.610 1.00 13.22 N ATOM 963 CA LEU A 511 -1.368 -2.102 -1.850 1.00 45.41 C ATOM 964 C LEU A 511 -0.918 -3.070 -2.925 1.00 72.14 C ATOM 965 O LEU A 511 0.046 -3.824 -2.742 1.00 63.51 O ATOM 966 CB LEU A 511 -0.399 -0.945 -1.756 1.00 30.22 C ATOM 967 CG LEU A 511 -0.852 0.289 -1.005 1.00 34.14 C ATOM 968 CD1 LEU A 511 0.164 1.374 -1.203 1.00 20.25 C ATOM 969 CD2 LEU A 511 -2.212 0.754 -1.491 1.00 34.21 C ATOM 0 H LEU A 511 -0.731 -2.906 -0.046 1.00 13.22 H new ATOM 0 HA LEU A 511 -2.336 -1.678 -2.119 1.00 45.41 H new ATOM 0 HB2 LEU A 511 0.514 -1.309 -1.285 1.00 30.22 H new ATOM 0 HB3 LEU A 511 -0.136 -0.644 -2.770 1.00 30.22 H new ATOM 0 HG LEU A 511 -0.942 0.049 0.054 1.00 34.14 H new ATOM 0 HD11 LEU A 511 -0.151 2.269 -0.667 1.00 20.25 H new ATOM 0 HD12 LEU A 511 1.129 1.043 -0.821 1.00 20.25 H new ATOM 0 HD13 LEU A 511 0.253 1.600 -2.266 1.00 20.25 H new ATOM 0 HD21 LEU A 511 -2.513 1.642 -0.935 1.00 34.21 H new ATOM 0 HD22 LEU A 511 -2.157 0.993 -2.553 1.00 34.21 H new ATOM 0 HD23 LEU A 511 -2.945 -0.038 -1.335 1.00 34.21 H new ATOM 981 N ILE A 512 -1.621 -3.072 -4.024 1.00 63.22 N ATOM 982 CA ILE A 512 -1.292 -3.942 -5.142 1.00 64.44 C ATOM 983 C ILE A 512 -0.457 -3.209 -6.183 1.00 75.12 C ATOM 984 O ILE A 512 0.549 -3.744 -6.677 1.00 11.13 O ATOM 985 CB ILE A 512 -2.561 -4.537 -5.801 1.00 43.34 C ATOM 986 CG1 ILE A 512 -3.383 -5.318 -4.781 1.00 43.31 C ATOM 987 CG2 ILE A 512 -2.195 -5.443 -6.965 1.00 13.23 C ATOM 988 CD1 ILE A 512 -2.644 -6.493 -4.178 1.00 42.11 C ATOM 0 H ILE A 512 -2.435 -2.478 -4.179 1.00 63.22 H new ATOM 0 HA ILE A 512 -0.703 -4.766 -4.739 1.00 64.44 H new ATOM 0 HB ILE A 512 -3.159 -3.707 -6.178 1.00 43.34 H new ATOM 0 HG12 ILE A 512 -3.690 -4.644 -3.981 1.00 43.31 H new ATOM 0 HG13 ILE A 512 -4.293 -5.679 -5.260 1.00 43.31 H new ATOM 0 HG21 ILE A 512 -3.104 -5.848 -7.410 1.00 13.23 H new ATOM 0 HG22 ILE A 512 -1.648 -4.870 -7.714 1.00 13.23 H new ATOM 0 HG23 ILE A 512 -1.571 -6.261 -6.607 1.00 13.23 H new ATOM 0 HD11 ILE A 512 -3.290 -7.001 -3.462 1.00 42.11 H new ATOM 0 HD12 ILE A 512 -2.360 -7.189 -4.968 1.00 42.11 H new ATOM 0 HD13 ILE A 512 -1.748 -6.137 -3.669 1.00 42.11 H new ATOM 1000 N GLU A 513 -0.860 -2.009 -6.511 1.00 22.12 N ATOM 1001 CA GLU A 513 -0.139 -1.193 -7.461 1.00 63.12 C ATOM 1002 C GLU A 513 -0.463 0.255 -7.220 1.00 55.42 C ATOM 1003 O GLU A 513 -1.514 0.579 -6.651 1.00 73.45 O ATOM 1004 CB GLU A 513 -0.490 -1.556 -8.931 1.00 41.01 C ATOM 1005 CG GLU A 513 -1.940 -1.346 -9.298 1.00 51.05 C ATOM 1006 CD GLU A 513 -2.236 -1.562 -10.755 1.00 70.11 C ATOM 1007 OE1 GLU A 513 -2.315 -2.722 -11.187 1.00 5.11 O ATOM 1008 OE2 GLU A 513 -2.443 -0.571 -11.481 1.00 0.41 O ATOM 0 H GLU A 513 -1.696 -1.567 -6.129 1.00 22.12 H new ATOM 0 HA GLU A 513 0.925 -1.380 -7.316 1.00 63.12 H new ATOM 0 HB2 GLU A 513 0.131 -0.958 -9.598 1.00 41.01 H new ATOM 0 HB3 GLU A 513 -0.231 -2.600 -9.106 1.00 41.01 H new ATOM 0 HG2 GLU A 513 -2.556 -2.024 -8.708 1.00 51.05 H new ATOM 0 HG3 GLU A 513 -2.231 -0.332 -9.025 1.00 51.05 H new ATOM 1015 N VAL A 514 0.429 1.107 -7.611 1.00 13.14 N ATOM 1016 CA VAL A 514 0.197 2.504 -7.584 1.00 2.34 C ATOM 1017 C VAL A 514 0.618 3.099 -8.912 1.00 62.04 C ATOM 1018 O VAL A 514 1.723 2.857 -9.412 1.00 33.21 O ATOM 1019 CB VAL A 514 0.839 3.242 -6.355 1.00 42.14 C ATOM 1020 CG1 VAL A 514 2.298 2.980 -6.273 1.00 53.24 C ATOM 1021 CG2 VAL A 514 0.598 4.742 -6.425 1.00 65.12 C ATOM 0 H VAL A 514 1.350 0.843 -7.962 1.00 13.14 H new ATOM 0 HA VAL A 514 -0.872 2.660 -7.442 1.00 2.34 H new ATOM 0 HB VAL A 514 0.358 2.848 -5.460 1.00 42.14 H new ATOM 0 HG11 VAL A 514 2.714 3.504 -5.413 1.00 53.24 H new ATOM 0 HG12 VAL A 514 2.470 1.909 -6.164 1.00 53.24 H new ATOM 0 HG13 VAL A 514 2.783 3.334 -7.183 1.00 53.24 H new ATOM 0 HG21 VAL A 514 1.054 5.225 -5.561 1.00 65.12 H new ATOM 0 HG22 VAL A 514 1.041 5.139 -7.338 1.00 65.12 H new ATOM 0 HG23 VAL A 514 -0.474 4.939 -6.426 1.00 65.12 H new ATOM 1031 N ASN A 515 -0.318 3.782 -9.500 1.00 64.25 N ATOM 1032 CA ASN A 515 -0.222 4.465 -10.772 1.00 61.45 C ATOM 1033 C ASN A 515 -0.038 3.488 -11.962 1.00 74.11 C ATOM 1034 O ASN A 515 0.160 3.906 -13.101 1.00 24.20 O ATOM 1035 CB ASN A 515 0.868 5.531 -10.750 1.00 40.12 C ATOM 1036 CG ASN A 515 0.524 6.646 -11.686 1.00 72.31 C ATOM 1037 OD1 ASN A 515 0.852 6.628 -12.864 1.00 22.25 O ATOM 1038 ND2 ASN A 515 -0.133 7.643 -11.156 1.00 74.23 N ATOM 0 H ASN A 515 -1.240 3.889 -9.078 1.00 64.25 H new ATOM 0 HA ASN A 515 -1.177 4.967 -10.929 1.00 61.45 H new ATOM 0 HB2 ASN A 515 0.985 5.920 -9.738 1.00 40.12 H new ATOM 0 HB3 ASN A 515 1.823 5.090 -11.035 1.00 40.12 H new ATOM 0 HD21 ASN A 515 -0.391 8.446 -11.730 1.00 74.23 H new ATOM 0 HD22 ASN A 515 -0.388 7.619 -10.169 1.00 74.23 H new ATOM 1045 N GLY A 516 -0.145 2.198 -11.699 1.00 0.32 N ATOM 1046 CA GLY A 516 -0.017 1.216 -12.762 1.00 21.33 C ATOM 1047 C GLY A 516 1.170 0.305 -12.574 1.00 53.42 C ATOM 1048 O GLY A 516 1.318 -0.691 -13.282 1.00 75.40 O ATOM 0 H GLY A 516 -0.318 1.809 -10.772 1.00 0.32 H new ATOM 0 HA2 GLY A 516 -0.926 0.616 -12.808 1.00 21.33 H new ATOM 0 HA3 GLY A 516 0.074 1.732 -13.718 1.00 21.33 H new ATOM 1052 N VAL A 517 2.021 0.642 -11.636 1.00 33.40 N ATOM 1053 CA VAL A 517 3.191 -0.159 -11.365 1.00 43.22 C ATOM 1054 C VAL A 517 2.905 -1.106 -10.217 1.00 53.43 C ATOM 1055 O VAL A 517 2.456 -0.675 -9.145 1.00 60.31 O ATOM 1056 CB VAL A 517 4.421 0.723 -11.049 1.00 12.11 C ATOM 1057 CG1 VAL A 517 5.640 -0.126 -10.745 1.00 32.20 C ATOM 1058 CG2 VAL A 517 4.713 1.652 -12.211 1.00 34.43 C ATOM 0 H VAL A 517 1.925 1.468 -11.045 1.00 33.40 H new ATOM 0 HA VAL A 517 3.426 -0.737 -12.259 1.00 43.22 H new ATOM 0 HB VAL A 517 4.190 1.317 -10.165 1.00 12.11 H new ATOM 0 HG11 VAL A 517 6.489 0.522 -10.527 1.00 32.20 H new ATOM 0 HG12 VAL A 517 5.436 -0.760 -9.882 1.00 32.20 H new ATOM 0 HG13 VAL A 517 5.873 -0.751 -11.607 1.00 32.20 H new ATOM 0 HG21 VAL A 517 5.581 2.267 -11.976 1.00 34.43 H new ATOM 0 HG22 VAL A 517 4.917 1.063 -13.105 1.00 34.43 H new ATOM 0 HG23 VAL A 517 3.851 2.294 -12.389 1.00 34.43 H new ATOM 1068 N ASP A 518 3.168 -2.381 -10.446 1.00 72.15 N ATOM 1069 CA ASP A 518 2.878 -3.436 -9.486 1.00 63.45 C ATOM 1070 C ASP A 518 3.857 -3.433 -8.362 1.00 55.44 C ATOM 1071 O ASP A 518 5.043 -3.176 -8.558 1.00 33.44 O ATOM 1072 CB ASP A 518 2.821 -4.821 -10.152 1.00 65.31 C ATOM 1073 CG ASP A 518 1.559 -5.045 -10.959 1.00 31.24 C ATOM 1074 OD1 ASP A 518 1.491 -4.627 -12.133 1.00 24.25 O ATOM 1075 OD2 ASP A 518 0.611 -5.672 -10.418 1.00 24.25 O ATOM 0 H ASP A 518 3.592 -2.718 -11.310 1.00 72.15 H new ATOM 0 HA ASP A 518 1.889 -3.226 -9.077 1.00 63.45 H new ATOM 0 HB2 ASP A 518 3.687 -4.939 -10.804 1.00 65.31 H new ATOM 0 HB3 ASP A 518 2.894 -5.590 -9.383 1.00 65.31 H new ATOM 1080 N LEU A 519 3.361 -3.703 -7.181 1.00 31.11 N ATOM 1081 CA LEU A 519 4.182 -3.665 -5.994 1.00 71.04 C ATOM 1082 C LEU A 519 4.597 -5.042 -5.602 1.00 4.45 C ATOM 1083 O LEU A 519 5.729 -5.268 -5.174 1.00 44.50 O ATOM 1084 CB LEU A 519 3.401 -3.091 -4.842 1.00 24.20 C ATOM 1085 CG LEU A 519 2.627 -1.830 -5.110 1.00 41.55 C ATOM 1086 CD1 LEU A 519 2.044 -1.314 -3.844 1.00 44.43 C ATOM 1087 CD2 LEU A 519 3.458 -0.793 -5.806 1.00 20.10 C ATOM 0 H LEU A 519 2.386 -3.953 -7.014 1.00 31.11 H new ATOM 0 HA LEU A 519 5.055 -3.051 -6.216 1.00 71.04 H new ATOM 0 HB2 LEU A 519 2.702 -3.851 -4.493 1.00 24.20 H new ATOM 0 HB3 LEU A 519 4.095 -2.897 -4.024 1.00 24.20 H new ATOM 0 HG LEU A 519 1.812 -2.071 -5.792 1.00 41.55 H new ATOM 0 HD11 LEU A 519 1.485 -0.400 -4.047 1.00 44.43 H new ATOM 0 HD12 LEU A 519 1.375 -2.063 -3.420 1.00 44.43 H new ATOM 0 HD13 LEU A 519 2.844 -1.100 -3.136 1.00 44.43 H new ATOM 0 HD21 LEU A 519 2.857 0.100 -5.978 1.00 20.10 H new ATOM 0 HD22 LEU A 519 4.317 -0.538 -5.185 1.00 20.10 H new ATOM 0 HD23 LEU A 519 3.806 -1.186 -6.761 1.00 20.10 H new ATOM 1099 N VAL A 520 3.679 -5.967 -5.731 1.00 14.41 N ATOM 1100 CA VAL A 520 3.921 -7.313 -5.333 1.00 32.31 C ATOM 1101 C VAL A 520 4.843 -7.961 -6.352 1.00 11.12 C ATOM 1102 O VAL A 520 4.428 -8.348 -7.466 1.00 71.12 O ATOM 1103 CB VAL A 520 2.596 -8.093 -5.159 1.00 5.50 C ATOM 1104 CG1 VAL A 520 2.851 -9.490 -4.607 1.00 71.13 C ATOM 1105 CG2 VAL A 520 1.646 -7.308 -4.241 1.00 75.02 C ATOM 0 H VAL A 520 2.749 -5.800 -6.115 1.00 14.41 H new ATOM 0 HA VAL A 520 4.409 -7.330 -4.358 1.00 32.31 H new ATOM 0 HB VAL A 520 2.128 -8.206 -6.137 1.00 5.50 H new ATOM 0 HG11 VAL A 520 1.903 -10.016 -4.495 1.00 71.13 H new ATOM 0 HG12 VAL A 520 3.492 -10.041 -5.295 1.00 71.13 H new ATOM 0 HG13 VAL A 520 3.341 -9.414 -3.636 1.00 71.13 H new ATOM 0 HG21 VAL A 520 0.715 -7.862 -4.122 1.00 75.02 H new ATOM 0 HG22 VAL A 520 2.113 -7.170 -3.266 1.00 75.02 H new ATOM 0 HG23 VAL A 520 1.435 -6.334 -4.683 1.00 75.02 H new ATOM 1115 N GLY A 521 6.098 -7.993 -5.997 1.00 15.32 N ATOM 1116 CA GLY A 521 7.129 -8.458 -6.863 1.00 70.11 C ATOM 1117 C GLY A 521 8.331 -7.533 -6.790 1.00 64.34 C ATOM 1118 O GLY A 521 9.427 -7.887 -7.231 1.00 73.21 O ATOM 0 H GLY A 521 6.431 -7.690 -5.082 1.00 15.32 H new ATOM 0 HA2 GLY A 521 7.422 -9.470 -6.582 1.00 70.11 H new ATOM 0 HA3 GLY A 521 6.760 -8.506 -7.887 1.00 70.11 H new ATOM 1122 N LYS A 522 8.128 -6.339 -6.243 1.00 32.31 N ATOM 1123 CA LYS A 522 9.218 -5.398 -6.056 1.00 71.34 C ATOM 1124 C LYS A 522 9.449 -5.092 -4.587 1.00 23.24 C ATOM 1125 O LYS A 522 8.709 -5.576 -3.708 1.00 23.10 O ATOM 1126 CB LYS A 522 9.056 -4.112 -6.876 1.00 44.55 C ATOM 1127 CG LYS A 522 7.769 -3.323 -6.682 1.00 24.44 C ATOM 1128 CD LYS A 522 7.849 -1.908 -7.288 1.00 64.55 C ATOM 1129 CE LYS A 522 7.988 -1.857 -8.826 1.00 40.34 C ATOM 1130 NZ LYS A 522 9.245 -2.459 -9.371 1.00 14.43 N ATOM 0 H LYS A 522 7.219 -6.004 -5.923 1.00 32.31 H new ATOM 0 HA LYS A 522 10.109 -5.894 -6.441 1.00 71.34 H new ATOM 0 HB2 LYS A 522 9.894 -3.455 -6.643 1.00 44.55 H new ATOM 0 HB3 LYS A 522 9.138 -4.371 -7.932 1.00 44.55 H new ATOM 0 HG2 LYS A 522 6.942 -3.865 -7.140 1.00 24.44 H new ATOM 0 HG3 LYS A 522 7.550 -3.247 -5.617 1.00 24.44 H new ATOM 0 HD2 LYS A 522 6.953 -1.357 -7.002 1.00 64.55 H new ATOM 0 HD3 LYS A 522 8.699 -1.388 -6.845 1.00 64.55 H new ATOM 0 HE2 LYS A 522 7.135 -2.371 -9.269 1.00 40.34 H new ATOM 0 HE3 LYS A 522 7.934 -0.816 -9.146 1.00 40.34 H new ATOM 0 HZ1 LYS A 522 9.575 -1.899 -10.183 1.00 14.43 H new ATOM 0 HZ2 LYS A 522 9.977 -2.462 -8.632 1.00 14.43 H new ATOM 0 HZ3 LYS A 522 9.058 -3.435 -9.677 1.00 14.43 H new ATOM 1144 N SER A 523 10.461 -4.304 -4.319 1.00 71.10 N ATOM 1145 CA SER A 523 10.848 -3.983 -2.975 1.00 42.41 C ATOM 1146 C SER A 523 10.140 -2.707 -2.480 1.00 12.32 C ATOM 1147 O SER A 523 9.658 -1.900 -3.283 1.00 52.12 O ATOM 1148 CB SER A 523 12.363 -3.834 -2.922 1.00 34.22 C ATOM 1149 OG SER A 523 12.993 -5.024 -3.394 1.00 40.43 O ATOM 0 H SER A 523 11.041 -3.866 -5.035 1.00 71.10 H new ATOM 0 HA SER A 523 10.543 -4.790 -2.308 1.00 42.41 H new ATOM 0 HB2 SER A 523 12.673 -2.984 -3.530 1.00 34.22 H new ATOM 0 HB3 SER A 523 12.680 -3.627 -1.900 1.00 34.22 H new ATOM 0 HG SER A 523 13.966 -4.916 -3.357 1.00 40.43 H new ATOM 1155 N GLN A 524 10.110 -2.533 -1.156 1.00 2.03 N ATOM 1156 CA GLN A 524 9.415 -1.419 -0.487 1.00 1.23 C ATOM 1157 C GLN A 524 9.889 -0.058 -1.012 1.00 40.14 C ATOM 1158 O GLN A 524 9.087 0.812 -1.338 1.00 5.15 O ATOM 1159 CB GLN A 524 9.740 -1.442 1.000 1.00 71.31 C ATOM 1160 CG GLN A 524 8.980 -0.413 1.805 1.00 33.20 C ATOM 1161 CD GLN A 524 7.712 -0.942 2.376 1.00 30.45 C ATOM 1162 OE1 GLN A 524 7.707 -1.438 3.484 1.00 62.34 O ATOM 1163 NE2 GLN A 524 6.644 -0.874 1.639 1.00 42.23 N ATOM 0 H GLN A 524 10.573 -3.168 -0.506 1.00 2.03 H new ATOM 0 HA GLN A 524 8.350 -1.544 -0.681 1.00 1.23 H new ATOM 0 HB2 GLN A 524 9.521 -2.434 1.395 1.00 71.31 H new ATOM 0 HB3 GLN A 524 10.809 -1.276 1.132 1.00 71.31 H new ATOM 0 HG2 GLN A 524 9.614 -0.053 2.615 1.00 33.20 H new ATOM 0 HG3 GLN A 524 8.756 0.444 1.170 1.00 33.20 H new ATOM 0 HE21 GLN A 524 6.690 -0.449 0.713 1.00 42.23 H new ATOM 0 HE22 GLN A 524 5.760 -1.245 1.987 1.00 42.23 H new ATOM 1172 N GLU A 525 11.193 0.095 -1.083 1.00 1.24 N ATOM 1173 CA GLU A 525 11.847 1.344 -1.467 1.00 41.24 C ATOM 1174 C GLU A 525 11.501 1.768 -2.888 1.00 71.14 C ATOM 1175 O GLU A 525 11.427 2.967 -3.193 1.00 51.12 O ATOM 1176 CB GLU A 525 13.330 1.204 -1.254 1.00 70.25 C ATOM 1177 CG GLU A 525 13.659 0.944 0.204 1.00 11.10 C ATOM 1178 CD GLU A 525 15.062 0.506 0.412 1.00 2.31 C ATOM 1179 OE1 GLU A 525 15.348 -0.677 0.148 1.00 50.23 O ATOM 1180 OE2 GLU A 525 15.900 1.319 0.843 1.00 52.43 O ATOM 0 H GLU A 525 11.850 -0.657 -0.872 1.00 1.24 H new ATOM 0 HA GLU A 525 11.474 2.148 -0.832 1.00 41.24 H new ATOM 0 HB2 GLU A 525 13.711 0.386 -1.866 1.00 70.25 H new ATOM 0 HB3 GLU A 525 13.834 2.112 -1.586 1.00 70.25 H new ATOM 0 HG2 GLU A 525 13.478 1.852 0.779 1.00 11.10 H new ATOM 0 HG3 GLU A 525 12.984 0.181 0.593 1.00 11.10 H new ATOM 1187 N GLU A 526 11.276 0.796 -3.741 1.00 33.24 N ATOM 1188 CA GLU A 526 10.844 1.054 -5.098 1.00 35.12 C ATOM 1189 C GLU A 526 9.469 1.690 -5.069 1.00 21.03 C ATOM 1190 O GLU A 526 9.190 2.651 -5.783 1.00 60.02 O ATOM 1191 CB GLU A 526 10.770 -0.247 -5.872 1.00 32.52 C ATOM 1192 CG GLU A 526 12.096 -0.932 -6.088 1.00 24.15 C ATOM 1193 CD GLU A 526 11.924 -2.237 -6.803 1.00 61.43 C ATOM 1194 OE1 GLU A 526 11.565 -2.235 -8.003 1.00 53.32 O ATOM 1195 OE2 GLU A 526 12.138 -3.289 -6.183 1.00 10.40 O ATOM 0 H GLU A 526 11.386 -0.193 -3.517 1.00 33.24 H new ATOM 0 HA GLU A 526 11.557 1.722 -5.581 1.00 35.12 H new ATOM 0 HB2 GLU A 526 10.106 -0.931 -5.343 1.00 32.52 H new ATOM 0 HB3 GLU A 526 10.316 -0.050 -6.843 1.00 32.52 H new ATOM 0 HG2 GLU A 526 12.754 -0.282 -6.666 1.00 24.15 H new ATOM 0 HG3 GLU A 526 12.581 -1.103 -5.127 1.00 24.15 H new ATOM 1202 N VAL A 527 8.633 1.169 -4.194 1.00 72.11 N ATOM 1203 CA VAL A 527 7.269 1.617 -4.068 1.00 41.13 C ATOM 1204 C VAL A 527 7.222 2.998 -3.442 1.00 23.14 C ATOM 1205 O VAL A 527 6.432 3.835 -3.858 1.00 22.23 O ATOM 1206 CB VAL A 527 6.430 0.650 -3.211 1.00 30.35 C ATOM 1207 CG1 VAL A 527 4.963 1.055 -3.201 1.00 54.22 C ATOM 1208 CG2 VAL A 527 6.609 -0.784 -3.665 1.00 15.21 C ATOM 0 H VAL A 527 8.886 0.420 -3.549 1.00 72.11 H new ATOM 0 HA VAL A 527 6.846 1.649 -5.072 1.00 41.13 H new ATOM 0 HB VAL A 527 6.794 0.714 -2.185 1.00 30.35 H new ATOM 0 HG11 VAL A 527 4.396 0.354 -2.588 1.00 54.22 H new ATOM 0 HG12 VAL A 527 4.866 2.059 -2.788 1.00 54.22 H new ATOM 0 HG13 VAL A 527 4.575 1.042 -4.220 1.00 54.22 H new ATOM 0 HG21 VAL A 527 6.004 -1.442 -3.041 1.00 15.21 H new ATOM 0 HG22 VAL A 527 6.293 -0.879 -4.704 1.00 15.21 H new ATOM 0 HG23 VAL A 527 7.659 -1.065 -3.578 1.00 15.21 H new ATOM 1218 N VAL A 528 8.077 3.249 -2.451 1.00 2.05 N ATOM 1219 CA VAL A 528 8.062 4.559 -1.808 1.00 54.33 C ATOM 1220 C VAL A 528 8.479 5.629 -2.794 1.00 31.22 C ATOM 1221 O VAL A 528 7.864 6.662 -2.864 1.00 51.04 O ATOM 1222 CB VAL A 528 8.901 4.673 -0.487 1.00 3.25 C ATOM 1223 CG1 VAL A 528 8.514 3.637 0.544 1.00 71.13 C ATOM 1224 CG2 VAL A 528 10.403 4.713 -0.714 1.00 70.31 C ATOM 0 H VAL A 528 8.764 2.589 -2.087 1.00 2.05 H new ATOM 0 HA VAL A 528 7.029 4.708 -1.493 1.00 54.33 H new ATOM 0 HB VAL A 528 8.638 5.647 -0.075 1.00 3.25 H new ATOM 0 HG11 VAL A 528 9.127 3.765 1.436 1.00 71.13 H new ATOM 0 HG12 VAL A 528 7.463 3.759 0.806 1.00 71.13 H new ATOM 0 HG13 VAL A 528 8.672 2.639 0.134 1.00 71.13 H new ATOM 0 HG21 VAL A 528 10.914 4.792 0.246 1.00 70.31 H new ATOM 0 HG22 VAL A 528 10.719 3.800 -1.219 1.00 70.31 H new ATOM 0 HG23 VAL A 528 10.655 5.575 -1.331 1.00 70.31 H new ATOM 1234 N SER A 529 9.494 5.339 -3.584 1.00 72.42 N ATOM 1235 CA SER A 529 9.981 6.262 -4.602 1.00 63.25 C ATOM 1236 C SER A 529 8.885 6.535 -5.636 1.00 21.11 C ATOM 1237 O SER A 529 8.664 7.679 -6.053 1.00 43.32 O ATOM 1238 CB SER A 529 11.227 5.678 -5.261 1.00 71.13 C ATOM 1239 OG SER A 529 12.224 5.397 -4.274 1.00 50.43 O ATOM 0 H SER A 529 10.007 4.459 -3.542 1.00 72.42 H new ATOM 0 HA SER A 529 10.245 7.212 -4.138 1.00 63.25 H new ATOM 0 HB2 SER A 529 10.969 4.765 -5.798 1.00 71.13 H new ATOM 0 HB3 SER A 529 11.621 6.380 -5.996 1.00 71.13 H new ATOM 0 HG SER A 529 12.010 4.554 -3.823 1.00 50.43 H new ATOM 1245 N LEU A 530 8.191 5.482 -6.008 1.00 10.30 N ATOM 1246 CA LEU A 530 7.081 5.530 -6.907 1.00 73.55 C ATOM 1247 C LEU A 530 5.960 6.411 -6.305 1.00 34.50 C ATOM 1248 O LEU A 530 5.411 7.288 -6.974 1.00 50.12 O ATOM 1249 CB LEU A 530 6.639 4.086 -7.110 1.00 11.00 C ATOM 1250 CG LEU A 530 5.400 3.811 -7.910 1.00 12.31 C ATOM 1251 CD1 LEU A 530 5.516 4.336 -9.325 1.00 53.01 C ATOM 1252 CD2 LEU A 530 5.127 2.325 -7.917 1.00 62.11 C ATOM 0 H LEU A 530 8.399 4.540 -5.676 1.00 10.30 H new ATOM 0 HA LEU A 530 7.339 5.977 -7.867 1.00 73.55 H new ATOM 0 HB2 LEU A 530 7.463 3.553 -7.585 1.00 11.00 H new ATOM 0 HB3 LEU A 530 6.499 3.643 -6.124 1.00 11.00 H new ATOM 0 HG LEU A 530 4.567 4.334 -7.441 1.00 12.31 H new ATOM 0 HD11 LEU A 530 4.598 4.117 -9.871 1.00 53.01 H new ATOM 0 HD12 LEU A 530 5.675 5.414 -9.301 1.00 53.01 H new ATOM 0 HD13 LEU A 530 6.358 3.856 -9.823 1.00 53.01 H new ATOM 0 HD21 LEU A 530 4.227 2.123 -8.498 1.00 62.11 H new ATOM 0 HD22 LEU A 530 5.972 1.802 -8.364 1.00 62.11 H new ATOM 0 HD23 LEU A 530 4.984 1.976 -6.894 1.00 62.11 H new ATOM 1264 N LEU A 531 5.670 6.184 -5.034 1.00 70.33 N ATOM 1265 CA LEU A 531 4.695 6.951 -4.289 1.00 13.34 C ATOM 1266 C LEU A 531 5.090 8.415 -4.152 1.00 33.41 C ATOM 1267 O LEU A 531 4.257 9.309 -4.358 1.00 2.21 O ATOM 1268 CB LEU A 531 4.430 6.281 -2.911 1.00 54.34 C ATOM 1269 CG LEU A 531 3.637 7.087 -1.871 1.00 73.53 C ATOM 1270 CD1 LEU A 531 2.923 6.149 -0.918 1.00 74.23 C ATOM 1271 CD2 LEU A 531 4.581 7.947 -1.044 1.00 24.02 C ATOM 0 H LEU A 531 6.115 5.448 -4.485 1.00 70.33 H new ATOM 0 HA LEU A 531 3.762 6.950 -4.853 1.00 13.34 H new ATOM 0 HB2 LEU A 531 3.899 5.346 -3.088 1.00 54.34 H new ATOM 0 HB3 LEU A 531 5.394 6.022 -2.472 1.00 54.34 H new ATOM 0 HG LEU A 531 2.920 7.710 -2.405 1.00 73.53 H new ATOM 0 HD11 LEU A 531 2.364 6.731 -0.185 1.00 74.23 H new ATOM 0 HD12 LEU A 531 2.236 5.515 -1.478 1.00 74.23 H new ATOM 0 HD13 LEU A 531 3.655 5.526 -0.404 1.00 74.23 H new ATOM 0 HD21 LEU A 531 4.008 8.514 -0.310 1.00 24.02 H new ATOM 0 HD22 LEU A 531 5.299 7.308 -0.529 1.00 24.02 H new ATOM 0 HD23 LEU A 531 5.114 8.636 -1.699 1.00 24.02 H new ATOM 1283 N ARG A 532 6.354 8.666 -3.822 1.00 53.43 N ATOM 1284 CA ARG A 532 6.824 10.032 -3.613 1.00 71.31 C ATOM 1285 C ARG A 532 6.703 10.828 -4.909 1.00 33.14 C ATOM 1286 O ARG A 532 6.458 12.045 -4.899 1.00 72.20 O ATOM 1287 CB ARG A 532 8.292 10.086 -3.124 1.00 52.02 C ATOM 1288 CG ARG A 532 8.609 9.322 -1.836 1.00 32.42 C ATOM 1289 CD ARG A 532 7.755 9.765 -0.670 1.00 21.53 C ATOM 1290 NE ARG A 532 7.856 11.209 -0.411 1.00 3.51 N ATOM 1291 CZ ARG A 532 6.889 11.957 0.147 1.00 14.34 C ATOM 1292 NH1 ARG A 532 5.773 11.394 0.596 1.00 21.24 N ATOM 1293 NH2 ARG A 532 7.059 13.256 0.286 1.00 22.11 N ATOM 0 H ARG A 532 7.066 7.947 -3.694 1.00 53.43 H new ATOM 0 HA ARG A 532 6.196 10.468 -2.836 1.00 71.31 H new ATOM 0 HB2 ARG A 532 8.931 9.698 -3.917 1.00 52.02 H new ATOM 0 HB3 ARG A 532 8.565 11.131 -2.977 1.00 52.02 H new ATOM 0 HG2 ARG A 532 8.461 8.255 -2.005 1.00 32.42 H new ATOM 0 HG3 ARG A 532 9.660 9.462 -1.585 1.00 32.42 H new ATOM 0 HD2 ARG A 532 6.715 9.507 -0.868 1.00 21.53 H new ATOM 0 HD3 ARG A 532 8.055 9.218 0.224 1.00 21.53 H new ATOM 0 HE ARG A 532 8.723 11.677 -0.674 1.00 3.51 H new ATOM 0 HH11 ARG A 532 5.644 10.385 0.519 1.00 21.24 H new ATOM 0 HH12 ARG A 532 5.045 11.970 1.018 1.00 21.24 H new ATOM 0 HH21 ARG A 532 7.924 13.694 -0.030 1.00 22.11 H new ATOM 0 HH22 ARG A 532 6.325 13.824 0.709 1.00 22.11 H new ATOM 1307 N SER A 533 6.885 10.129 -6.014 1.00 22.03 N ATOM 1308 CA SER A 533 6.767 10.703 -7.326 1.00 34.03 C ATOM 1309 C SER A 533 5.297 10.980 -7.639 1.00 35.12 C ATOM 1310 O SER A 533 4.945 12.077 -8.130 1.00 74.31 O ATOM 1311 CB SER A 533 7.355 9.714 -8.349 1.00 40.13 C ATOM 1312 OG SER A 533 7.238 10.185 -9.682 1.00 35.10 O ATOM 0 H SER A 533 7.121 9.137 -6.017 1.00 22.03 H new ATOM 0 HA SER A 533 7.312 11.646 -7.374 1.00 34.03 H new ATOM 0 HB2 SER A 533 8.406 9.539 -8.119 1.00 40.13 H new ATOM 0 HB3 SER A 533 6.845 8.755 -8.259 1.00 40.13 H new ATOM 0 HG SER A 533 7.625 9.527 -10.297 1.00 35.10 H new ATOM 1318 N THR A 534 4.436 9.999 -7.315 1.00 44.11 N ATOM 1319 CA THR A 534 2.998 10.072 -7.542 1.00 55.40 C ATOM 1320 C THR A 534 2.677 10.009 -9.047 1.00 65.53 C ATOM 1321 O THR A 534 2.171 9.003 -9.547 1.00 64.01 O ATOM 1322 CB THR A 534 2.396 11.365 -6.921 1.00 33.50 C ATOM 1323 OG1 THR A 534 2.655 11.406 -5.503 1.00 33.32 O ATOM 1324 CG2 THR A 534 0.887 11.494 -7.193 1.00 5.34 C ATOM 0 H THR A 534 4.733 9.124 -6.882 1.00 44.11 H new ATOM 0 HA THR A 534 2.543 9.212 -7.051 1.00 55.40 H new ATOM 0 HB THR A 534 2.884 12.213 -7.401 1.00 33.50 H new ATOM 0 HG1 THR A 534 3.166 10.612 -5.241 1.00 33.32 H new ATOM 0 HG21 THR A 534 0.513 12.412 -6.740 1.00 5.34 H new ATOM 0 HG22 THR A 534 0.712 11.523 -8.269 1.00 5.34 H new ATOM 0 HG23 THR A 534 0.365 10.639 -6.764 1.00 5.34 H new ATOM 1332 N LYS A 535 3.017 11.083 -9.730 1.00 0.02 N ATOM 1333 CA LYS A 535 2.771 11.300 -11.129 1.00 60.20 C ATOM 1334 C LYS A 535 3.088 12.775 -11.341 1.00 41.12 C ATOM 1335 O LYS A 535 3.239 13.513 -10.346 1.00 64.42 O ATOM 1336 CB LYS A 535 1.272 11.046 -11.459 1.00 73.35 C ATOM 1337 CG LYS A 535 0.905 10.980 -12.947 1.00 52.43 C ATOM 1338 CD LYS A 535 1.246 9.620 -13.634 1.00 12.31 C ATOM 1339 CE LYS A 535 2.717 9.184 -13.536 1.00 44.25 C ATOM 1340 NZ LYS A 535 2.953 7.877 -14.202 1.00 1.11 N ATOM 0 H LYS A 535 3.499 11.868 -9.293 1.00 0.02 H new ATOM 0 HA LYS A 535 3.363 10.637 -11.760 1.00 60.20 H new ATOM 0 HB2 LYS A 535 0.973 10.108 -10.991 1.00 73.35 H new ATOM 0 HB3 LYS A 535 0.681 11.836 -10.996 1.00 73.35 H new ATOM 0 HG2 LYS A 535 -0.163 11.170 -13.054 1.00 52.43 H new ATOM 0 HG3 LYS A 535 1.426 11.780 -13.473 1.00 52.43 H new ATOM 0 HD2 LYS A 535 0.624 8.842 -13.191 1.00 12.31 H new ATOM 0 HD3 LYS A 535 0.973 9.686 -14.687 1.00 12.31 H new ATOM 0 HE2 LYS A 535 3.352 9.944 -13.992 1.00 44.25 H new ATOM 0 HE3 LYS A 535 3.006 9.115 -12.487 1.00 44.25 H new ATOM 0 HZ1 LYS A 535 3.920 7.553 -13.999 1.00 1.11 H new ATOM 0 HZ2 LYS A 535 2.272 7.177 -13.845 1.00 1.11 H new ATOM 0 HZ3 LYS A 535 2.832 7.984 -15.229 1.00 1.11 H new ATOM 1354 N MET A 536 3.217 13.216 -12.575 1.00 64.34 N ATOM 1355 CA MET A 536 3.442 14.636 -12.823 1.00 55.40 C ATOM 1356 C MET A 536 2.109 15.342 -12.923 1.00 51.24 C ATOM 1357 O MET A 536 1.988 16.518 -12.595 1.00 3.20 O ATOM 1358 CB MET A 536 4.273 14.875 -14.092 1.00 3.44 C ATOM 1359 CG MET A 536 5.671 14.271 -14.051 1.00 23.35 C ATOM 1360 SD MET A 536 6.621 14.580 -15.564 1.00 12.05 S ATOM 1361 CE MET A 536 6.700 16.377 -15.561 1.00 4.11 C ATOM 0 H MET A 536 3.172 12.631 -13.410 1.00 64.34 H new ATOM 0 HA MET A 536 4.014 15.041 -11.988 1.00 55.40 H new ATOM 0 HB2 MET A 536 3.737 14.462 -14.946 1.00 3.44 H new ATOM 0 HB3 MET A 536 4.359 15.949 -14.259 1.00 3.44 H new ATOM 0 HG2 MET A 536 6.213 14.680 -13.198 1.00 23.35 H new ATOM 0 HG3 MET A 536 5.592 13.196 -13.892 1.00 23.35 H new ATOM 0 HE1 MET A 536 7.511 16.707 -16.211 1.00 4.11 H new ATOM 0 HE2 MET A 536 5.756 16.783 -15.924 1.00 4.11 H new ATOM 0 HE3 MET A 536 6.881 16.732 -14.546 1.00 4.11 H new ATOM 1371 N GLU A 537 1.108 14.598 -13.359 1.00 34.53 N ATOM 1372 CA GLU A 537 -0.253 15.092 -13.513 1.00 54.34 C ATOM 1373 C GLU A 537 -0.839 15.546 -12.183 1.00 23.05 C ATOM 1374 O GLU A 537 -0.890 16.740 -11.893 1.00 11.13 O ATOM 1375 CB GLU A 537 -1.121 14.010 -14.117 1.00 64.00 C ATOM 1376 CG GLU A 537 -0.663 13.564 -15.476 1.00 5.44 C ATOM 1377 CD GLU A 537 -1.473 12.423 -16.007 1.00 11.42 C ATOM 1378 OE1 GLU A 537 -2.624 12.636 -16.412 1.00 71.50 O ATOM 1379 OE2 GLU A 537 -0.968 11.280 -16.023 1.00 2.23 O ATOM 0 H GLU A 537 1.217 13.618 -13.621 1.00 34.53 H new ATOM 0 HA GLU A 537 -0.226 15.957 -14.176 1.00 54.34 H new ATOM 0 HB2 GLU A 537 -1.135 13.150 -13.447 1.00 64.00 H new ATOM 0 HB3 GLU A 537 -2.145 14.375 -14.189 1.00 64.00 H new ATOM 0 HG2 GLU A 537 -0.724 14.403 -16.170 1.00 5.44 H new ATOM 0 HG3 GLU A 537 0.385 13.268 -15.424 1.00 5.44 H new ATOM 1386 N GLY A 538 -1.245 14.596 -11.366 1.00 11.22 N ATOM 1387 CA GLY A 538 -1.796 14.949 -10.093 1.00 11.34 C ATOM 1388 C GLY A 538 -2.696 13.891 -9.533 1.00 5.00 C ATOM 1389 O GLY A 538 -2.804 13.757 -8.314 1.00 64.23 O ATOM 0 H GLY A 538 -1.202 13.596 -11.563 1.00 11.22 H new ATOM 0 HA2 GLY A 538 -0.984 15.137 -9.391 1.00 11.34 H new ATOM 0 HA3 GLY A 538 -2.355 15.880 -10.190 1.00 11.34 H new ATOM 1393 N THR A 539 -3.341 13.128 -10.388 1.00 65.11 N ATOM 1394 CA THR A 539 -4.189 12.074 -9.896 1.00 64.43 C ATOM 1395 C THR A 539 -3.364 10.813 -9.871 1.00 71.21 C ATOM 1396 O THR A 539 -2.541 10.581 -10.770 1.00 54.51 O ATOM 1397 CB THR A 539 -5.408 11.834 -10.796 1.00 43.12 C ATOM 1398 OG1 THR A 539 -5.969 13.095 -11.216 1.00 43.24 O ATOM 1399 CG2 THR A 539 -6.481 11.079 -10.024 1.00 14.52 C ATOM 0 H THR A 539 -3.295 13.216 -11.403 1.00 65.11 H new ATOM 0 HA THR A 539 -4.559 12.356 -8.910 1.00 64.43 H new ATOM 0 HB THR A 539 -5.085 11.257 -11.662 1.00 43.12 H new ATOM 0 HG1 THR A 539 -6.745 12.932 -11.791 1.00 43.24 H new ATOM 0 HG21 THR A 539 -7.344 10.912 -10.669 1.00 14.52 H new ATOM 0 HG22 THR A 539 -6.084 10.119 -9.693 1.00 14.52 H new ATOM 0 HG23 THR A 539 -6.785 11.664 -9.156 1.00 14.52 H new ATOM 1407 N VAL A 540 -3.547 10.022 -8.872 1.00 54.24 N ATOM 1408 CA VAL A 540 -2.799 8.834 -8.745 1.00 13.41 C ATOM 1409 C VAL A 540 -3.753 7.651 -8.620 1.00 74.11 C ATOM 1410 O VAL A 540 -4.781 7.750 -7.948 1.00 40.11 O ATOM 1411 CB VAL A 540 -1.837 8.921 -7.513 1.00 62.23 C ATOM 1412 CG1 VAL A 540 -2.522 8.736 -6.176 1.00 73.14 C ATOM 1413 CG2 VAL A 540 -0.586 8.082 -7.685 1.00 54.50 C ATOM 0 H VAL A 540 -4.220 10.186 -8.124 1.00 54.24 H new ATOM 0 HA VAL A 540 -2.182 8.694 -9.632 1.00 13.41 H new ATOM 0 HB VAL A 540 -1.495 9.956 -7.489 1.00 62.23 H new ATOM 0 HG11 VAL A 540 -1.785 8.811 -5.376 1.00 73.14 H new ATOM 0 HG12 VAL A 540 -3.279 9.509 -6.045 1.00 73.14 H new ATOM 0 HG13 VAL A 540 -2.996 7.755 -6.143 1.00 73.14 H new ATOM 0 HG21 VAL A 540 0.043 8.181 -6.800 1.00 54.50 H new ATOM 0 HG22 VAL A 540 -0.864 7.036 -7.817 1.00 54.50 H new ATOM 0 HG23 VAL A 540 -0.036 8.424 -8.562 1.00 54.50 H new ATOM 1423 N SER A 541 -3.459 6.585 -9.314 1.00 71.01 N ATOM 1424 CA SER A 541 -4.245 5.383 -9.214 1.00 64.31 C ATOM 1425 C SER A 541 -3.653 4.460 -8.148 1.00 4.43 C ATOM 1426 O SER A 541 -2.458 4.259 -8.100 1.00 4.15 O ATOM 1427 CB SER A 541 -4.301 4.673 -10.568 1.00 24.25 C ATOM 1428 OG SER A 541 -4.854 5.512 -11.584 1.00 54.42 O ATOM 0 H SER A 541 -2.673 6.524 -9.961 1.00 71.01 H new ATOM 0 HA SER A 541 -5.261 5.647 -8.922 1.00 64.31 H new ATOM 0 HB2 SER A 541 -3.297 4.364 -10.858 1.00 24.25 H new ATOM 0 HB3 SER A 541 -4.900 3.767 -10.479 1.00 24.25 H new ATOM 0 HG SER A 541 -4.873 5.026 -12.435 1.00 54.42 H new ATOM 1434 N LEU A 542 -4.479 3.950 -7.296 1.00 63.12 N ATOM 1435 CA LEU A 542 -4.073 3.052 -6.243 1.00 42.04 C ATOM 1436 C LEU A 542 -4.882 1.807 -6.392 1.00 51.33 C ATOM 1437 O LEU A 542 -6.069 1.884 -6.696 1.00 73.23 O ATOM 1438 CB LEU A 542 -4.407 3.629 -4.837 1.00 61.54 C ATOM 1439 CG LEU A 542 -3.913 5.036 -4.491 1.00 2.44 C ATOM 1440 CD1 LEU A 542 -2.458 5.200 -4.809 1.00 12.44 C ATOM 1441 CD2 LEU A 542 -4.751 6.096 -5.151 1.00 74.14 C ATOM 0 H LEU A 542 -5.480 4.145 -7.305 1.00 63.12 H new ATOM 0 HA LEU A 542 -2.998 2.887 -6.319 1.00 42.04 H new ATOM 0 HB2 LEU A 542 -5.491 3.621 -4.724 1.00 61.54 H new ATOM 0 HB3 LEU A 542 -4.003 2.943 -4.092 1.00 61.54 H new ATOM 0 HG LEU A 542 -4.025 5.165 -3.414 1.00 2.44 H new ATOM 0 HD11 LEU A 542 -2.141 6.210 -4.551 1.00 12.44 H new ATOM 0 HD12 LEU A 542 -1.876 4.479 -4.234 1.00 12.44 H new ATOM 0 HD13 LEU A 542 -2.297 5.030 -5.874 1.00 12.44 H new ATOM 0 HD21 LEU A 542 -4.370 7.081 -4.882 1.00 74.14 H new ATOM 0 HD22 LEU A 542 -4.707 5.973 -6.233 1.00 74.14 H new ATOM 0 HD23 LEU A 542 -5.784 6.003 -4.817 1.00 74.14 H new ATOM 1453 N LEU A 543 -4.283 0.689 -6.225 1.00 41.15 N ATOM 1454 CA LEU A 543 -5.026 -0.532 -6.224 1.00 22.44 C ATOM 1455 C LEU A 543 -4.825 -1.156 -4.887 1.00 25.23 C ATOM 1456 O LEU A 543 -3.686 -1.408 -4.483 1.00 63.20 O ATOM 1457 CB LEU A 543 -4.554 -1.473 -7.323 1.00 55.34 C ATOM 1458 CG LEU A 543 -5.364 -2.765 -7.547 1.00 53.30 C ATOM 1459 CD1 LEU A 543 -6.764 -2.453 -8.006 1.00 34.32 C ATOM 1460 CD2 LEU A 543 -4.681 -3.653 -8.558 1.00 34.21 C ATOM 0 H LEU A 543 -3.278 0.584 -6.086 1.00 41.15 H new ATOM 0 HA LEU A 543 -6.080 -0.332 -6.415 1.00 22.44 H new ATOM 0 HB2 LEU A 543 -4.541 -0.917 -8.260 1.00 55.34 H new ATOM 0 HB3 LEU A 543 -3.524 -1.755 -7.106 1.00 55.34 H new ATOM 0 HG LEU A 543 -5.420 -3.290 -6.594 1.00 53.30 H new ATOM 0 HD11 LEU A 543 -7.313 -3.382 -8.156 1.00 34.32 H new ATOM 0 HD12 LEU A 543 -7.269 -1.851 -7.250 1.00 34.32 H new ATOM 0 HD13 LEU A 543 -6.724 -1.899 -8.944 1.00 34.32 H new ATOM 0 HD21 LEU A 543 -5.269 -4.560 -8.702 1.00 34.21 H new ATOM 0 HD22 LEU A 543 -4.593 -3.123 -9.507 1.00 34.21 H new ATOM 0 HD23 LEU A 543 -3.687 -3.918 -8.197 1.00 34.21 H new ATOM 1472 N VAL A 544 -5.886 -1.392 -4.204 1.00 13.34 N ATOM 1473 CA VAL A 544 -5.812 -1.942 -2.880 1.00 13.34 C ATOM 1474 C VAL A 544 -6.432 -3.316 -2.874 1.00 23.54 C ATOM 1475 O VAL A 544 -7.155 -3.670 -3.801 1.00 3.22 O ATOM 1476 CB VAL A 544 -6.507 -1.039 -1.823 1.00 73.22 C ATOM 1477 CG1 VAL A 544 -5.881 0.345 -1.775 1.00 34.00 C ATOM 1478 CG2 VAL A 544 -8.001 -0.935 -2.063 1.00 1.11 C ATOM 0 H VAL A 544 -6.833 -1.213 -4.537 1.00 13.34 H new ATOM 0 HA VAL A 544 -4.759 -2.003 -2.604 1.00 13.34 H new ATOM 0 HB VAL A 544 -6.356 -1.517 -0.855 1.00 73.22 H new ATOM 0 HG11 VAL A 544 -6.392 0.949 -1.025 1.00 34.00 H new ATOM 0 HG12 VAL A 544 -4.826 0.258 -1.514 1.00 34.00 H new ATOM 0 HG13 VAL A 544 -5.976 0.821 -2.751 1.00 34.00 H new ATOM 0 HG21 VAL A 544 -8.448 -0.295 -1.302 1.00 1.11 H new ATOM 0 HG22 VAL A 544 -8.182 -0.507 -3.049 1.00 1.11 H new ATOM 0 HG23 VAL A 544 -8.448 -1.928 -2.010 1.00 1.11 H new ATOM 1488 N PHE A 545 -6.127 -4.088 -1.879 1.00 73.21 N ATOM 1489 CA PHE A 545 -6.608 -5.440 -1.793 1.00 33.22 C ATOM 1490 C PHE A 545 -7.155 -5.738 -0.429 1.00 62.32 C ATOM 1491 O PHE A 545 -6.499 -5.498 0.598 1.00 1.22 O ATOM 1492 CB PHE A 545 -5.495 -6.430 -2.160 1.00 63.52 C ATOM 1493 CG PHE A 545 -5.850 -7.892 -2.011 1.00 74.23 C ATOM 1494 CD1 PHE A 545 -6.530 -8.560 -3.007 1.00 12.01 C ATOM 1495 CD2 PHE A 545 -5.489 -8.594 -0.865 1.00 22.21 C ATOM 1496 CE1 PHE A 545 -6.848 -9.895 -2.875 1.00 42.44 C ATOM 1497 CE2 PHE A 545 -5.805 -9.929 -0.727 1.00 51.40 C ATOM 1498 CZ PHE A 545 -6.487 -10.581 -1.732 1.00 72.21 C ATOM 0 H PHE A 545 -5.536 -3.802 -1.099 1.00 73.21 H new ATOM 0 HA PHE A 545 -7.423 -5.553 -2.508 1.00 33.22 H new ATOM 0 HB2 PHE A 545 -5.198 -6.250 -3.193 1.00 63.52 H new ATOM 0 HB3 PHE A 545 -4.626 -6.220 -1.537 1.00 63.52 H new ATOM 0 HD1 PHE A 545 -6.818 -8.030 -3.903 1.00 12.01 H new ATOM 0 HD2 PHE A 545 -4.955 -8.087 -0.075 1.00 22.21 H new ATOM 0 HE1 PHE A 545 -7.379 -10.404 -3.665 1.00 42.44 H new ATOM 0 HE2 PHE A 545 -5.519 -10.463 0.167 1.00 51.40 H new ATOM 0 HZ PHE A 545 -6.738 -11.626 -1.626 1.00 72.21 H new ATOM 1508 N ARG A 546 -8.336 -6.261 -0.416 1.00 73.44 N ATOM 1509 CA ARG A 546 -8.976 -6.656 0.792 1.00 24.12 C ATOM 1510 C ARG A 546 -9.305 -8.117 0.692 1.00 4.10 C ATOM 1511 O ARG A 546 -9.691 -8.596 -0.381 1.00 23.50 O ATOM 1512 CB ARG A 546 -10.252 -5.866 1.050 1.00 75.44 C ATOM 1513 CG ARG A 546 -10.093 -4.359 0.986 1.00 73.43 C ATOM 1514 CD ARG A 546 -11.360 -3.658 1.432 1.00 14.13 C ATOM 1515 NE ARG A 546 -12.549 -4.173 0.752 1.00 53.34 N ATOM 1516 CZ ARG A 546 -13.551 -3.438 0.294 1.00 50.30 C ATOM 1517 NH1 ARG A 546 -13.510 -2.112 0.358 1.00 65.02 N ATOM 1518 NH2 ARG A 546 -14.595 -4.034 -0.213 1.00 52.25 N ATOM 0 H ARG A 546 -8.890 -6.428 -1.256 1.00 73.44 H new ATOM 0 HA ARG A 546 -8.299 -6.459 1.623 1.00 24.12 H new ATOM 0 HB2 ARG A 546 -11.003 -6.169 0.321 1.00 75.44 H new ATOM 0 HB3 ARG A 546 -10.636 -6.135 2.034 1.00 75.44 H new ATOM 0 HG2 ARG A 546 -9.261 -4.051 1.619 1.00 73.43 H new ATOM 0 HG3 ARG A 546 -9.847 -4.059 -0.033 1.00 73.43 H new ATOM 0 HD2 ARG A 546 -11.479 -3.778 2.509 1.00 14.13 H new ATOM 0 HD3 ARG A 546 -11.268 -2.589 1.239 1.00 14.13 H new ATOM 0 HE ARG A 546 -12.611 -5.182 0.620 1.00 53.34 H new ATOM 0 HH11 ARG A 546 -12.699 -1.646 0.764 1.00 65.02 H new ATOM 0 HH12 ARG A 546 -14.290 -1.560 0.001 1.00 65.02 H new ATOM 0 HH21 ARG A 546 -14.632 -5.053 -0.253 1.00 52.25 H new ATOM 0 HH22 ARG A 546 -15.375 -3.481 -0.570 1.00 52.25 H new ATOM 1532 N GLN A 547 -9.143 -8.830 1.770 1.00 21.05 N ATOM 1533 CA GLN A 547 -9.454 -10.227 1.777 1.00 63.11 C ATOM 1534 C GLN A 547 -10.963 -10.344 1.870 1.00 53.33 C ATOM 1535 O GLN A 547 -11.603 -9.602 2.655 1.00 74.31 O ATOM 1536 CB GLN A 547 -8.797 -10.913 2.975 1.00 21.31 C ATOM 1537 CG GLN A 547 -8.994 -12.417 3.003 1.00 14.30 C ATOM 1538 CD GLN A 547 -8.442 -13.068 4.249 1.00 53.44 C ATOM 1539 OE1 GLN A 547 -7.473 -12.599 4.848 1.00 74.22 O ATOM 1540 NE2 GLN A 547 -9.053 -14.146 4.651 1.00 22.22 N ATOM 0 H GLN A 547 -8.796 -8.464 2.657 1.00 21.05 H new ATOM 0 HA GLN A 547 -9.080 -10.711 0.875 1.00 63.11 H new ATOM 0 HB2 GLN A 547 -7.729 -10.696 2.965 1.00 21.31 H new ATOM 0 HB3 GLN A 547 -9.201 -10.486 3.893 1.00 21.31 H new ATOM 0 HG2 GLN A 547 -10.058 -12.639 2.927 1.00 14.30 H new ATOM 0 HG3 GLN A 547 -8.513 -12.856 2.129 1.00 14.30 H new ATOM 0 HE21 GLN A 547 -9.852 -14.504 4.128 1.00 22.22 H new ATOM 0 HE22 GLN A 547 -8.732 -14.632 5.488 1.00 22.22 H new ATOM 1549 N GLU A 548 -11.527 -11.242 1.061 1.00 60.42 N ATOM 1550 CA GLU A 548 -12.966 -11.386 0.906 1.00 33.42 C ATOM 1551 C GLU A 548 -13.538 -10.117 0.262 1.00 24.34 C ATOM 1552 O GLU A 548 -12.794 -9.387 -0.410 1.00 34.30 O ATOM 1553 CB GLU A 548 -13.639 -11.771 2.230 1.00 25.13 C ATOM 1554 CG GLU A 548 -13.148 -13.118 2.746 1.00 62.41 C ATOM 1555 CD GLU A 548 -13.817 -13.548 4.011 1.00 53.12 C ATOM 1556 OE1 GLU A 548 -14.879 -14.190 3.937 1.00 62.23 O ATOM 1557 OE2 GLU A 548 -13.289 -13.267 5.101 1.00 52.12 O ATOM 0 H GLU A 548 -10.988 -11.894 0.491 1.00 60.42 H new ATOM 0 HA GLU A 548 -13.184 -12.214 0.232 1.00 33.42 H new ATOM 0 HB2 GLU A 548 -13.439 -11.002 2.976 1.00 25.13 H new ATOM 0 HB3 GLU A 548 -14.719 -11.807 2.091 1.00 25.13 H new ATOM 0 HG2 GLU A 548 -13.315 -13.875 1.980 1.00 62.41 H new ATOM 0 HG3 GLU A 548 -12.072 -13.065 2.912 1.00 62.41 H new ATOM 1564 N ASP A 549 -14.815 -9.881 0.386 1.00 71.13 N ATOM 1565 CA ASP A 549 -15.406 -8.709 -0.249 1.00 75.02 C ATOM 1566 C ASP A 549 -15.378 -7.525 0.702 1.00 60.32 C ATOM 1567 O ASP A 549 -14.490 -6.659 0.565 1.00 38.91 O ATOM 1568 CB ASP A 549 -16.833 -8.986 -0.747 1.00 43.01 C ATOM 1569 CG ASP A 549 -17.430 -7.792 -1.464 1.00 72.12 C ATOM 1570 OD1 ASP A 549 -17.108 -7.577 -2.648 1.00 41.32 O ATOM 1571 OD2 ASP A 549 -18.237 -7.056 -0.866 1.00 62.43 O ATOM 1572 OXT ASP A 549 -16.207 -7.484 1.639 1.00 38.91 O ATOM 0 H ASP A 549 -15.467 -10.466 0.909 1.00 71.13 H new ATOM 0 HA ASP A 549 -14.806 -8.466 -1.126 1.00 75.02 H new ATOM 0 HB2 ASP A 549 -16.821 -9.843 -1.420 1.00 43.01 H new ATOM 0 HB3 ASP A 549 -17.466 -9.254 0.099 1.00 43.01 H new TER 1577 ASP A 549