USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 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 Single : A 1 CYS N :NH3+ 157:sc= 0.0419 (180deg=0.00524) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0359 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= 0.00402 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.66! C(o=-1.7!,f=-3.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 70:sc= 0.675 USER MOD Single : A 20 SER OG : rot -65:sc= 0.995 USER MOD Single : A 25 GLN : amide:sc= -15! C(o=-15!,f=-7.7!) USER MOD Single : A 26 ASN : amide:sc= -3.08! C(o=-3.1!,f=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= -2.14 (180deg=-2.36) USER MOD Single : A 35 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.032) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -8.02! K(o=-8!,f=-1.8) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 48.397 -11.513 0.971 1.00 1.00 N ATOM 2 CA CYS A 1 49.001 -12.664 1.692 1.00 1.00 C ATOM 3 C CYS A 1 48.714 -13.948 0.921 1.00 1.00 C ATOM 4 O CYS A 1 49.584 -14.460 0.216 1.00 1.00 O ATOM 5 CB CYS A 1 48.412 -12.748 3.103 1.00 1.00 C ATOM 6 SG CYS A 1 49.059 -11.386 4.105 1.00 1.00 S ATOM 0 H1 CYS A 1 48.240 -10.730 1.637 1.00 1.00 H new ATOM 0 H2 CYS A 1 49.040 -11.201 0.215 1.00 1.00 H new ATOM 0 H3 CYS A 1 47.488 -11.802 0.555 1.00 1.00 H new ATOM 0 HA CYS A 1 50.080 -12.529 1.768 1.00 1.00 H new ATOM 0 HB2 CYS A 1 47.324 -12.697 3.059 1.00 1.00 H new ATOM 0 HB3 CYS A 1 48.668 -13.704 3.560 1.00 1.00 H new ATOM 0 HG CYS A 1 48.559 -11.453 5.303 1.00 1.00 H new ATOM 14 N SER A 2 47.492 -14.464 1.056 1.00 1.00 N ATOM 15 CA SER A 2 47.113 -15.692 0.363 1.00 1.00 C ATOM 16 C SER A 2 48.030 -16.844 0.799 1.00 1.00 C ATOM 17 O SER A 2 49.229 -16.643 0.984 1.00 1.00 O ATOM 18 CB SER A 2 47.240 -15.493 -1.150 1.00 1.00 C ATOM 19 OG SER A 2 46.531 -16.527 -1.818 1.00 1.00 O ATOM 0 H SER A 2 46.756 -14.055 1.632 1.00 1.00 H new ATOM 0 HA SER A 2 46.081 -15.935 0.615 1.00 1.00 H new ATOM 0 HB2 SER A 2 46.842 -14.519 -1.436 1.00 1.00 H new ATOM 0 HB3 SER A 2 48.290 -15.507 -1.444 1.00 1.00 H new ATOM 0 HG SER A 2 46.608 -16.403 -2.787 1.00 1.00 H new ATOM 25 N LYS A 3 47.473 -18.045 0.944 1.00 1.00 N ATOM 26 CA LYS A 3 48.274 -19.217 1.334 1.00 1.00 C ATOM 27 C LYS A 3 48.590 -19.238 2.830 1.00 1.00 C ATOM 28 O LYS A 3 49.112 -20.227 3.346 1.00 1.00 O ATOM 29 CB LYS A 3 49.586 -19.244 0.523 1.00 1.00 C ATOM 30 CG LYS A 3 50.086 -20.691 0.349 1.00 1.00 C ATOM 31 CD LYS A 3 49.408 -21.342 -0.861 1.00 1.00 C ATOM 32 CE LYS A 3 49.980 -22.745 -1.069 1.00 1.00 C ATOM 33 NZ LYS A 3 49.329 -23.376 -2.251 1.00 1.00 N ATOM 0 H LYS A 3 46.482 -18.237 0.800 1.00 1.00 H new ATOM 0 HA LYS A 3 47.679 -20.104 1.116 1.00 1.00 H new ATOM 0 HB2 LYS A 3 49.425 -18.789 -0.454 1.00 1.00 H new ATOM 0 HB3 LYS A 3 50.346 -18.649 1.030 1.00 1.00 H new ATOM 0 HG2 LYS A 3 51.168 -20.696 0.216 1.00 1.00 H new ATOM 0 HG3 LYS A 3 49.873 -21.268 1.249 1.00 1.00 H new ATOM 0 HD2 LYS A 3 48.331 -21.396 -0.703 1.00 1.00 H new ATOM 0 HD3 LYS A 3 49.569 -20.736 -1.752 1.00 1.00 H new ATOM 0 HE2 LYS A 3 51.058 -22.691 -1.220 1.00 1.00 H new ATOM 0 HE3 LYS A 3 49.812 -23.353 -0.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 49.461 -24.407 -2.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 48.312 -23.157 -2.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 49.758 -23.006 -3.123 1.00 1.00 H new ATOM 47 N ASN A 4 48.271 -18.157 3.514 1.00 1.00 N ATOM 48 CA ASN A 4 48.521 -18.068 4.955 1.00 1.00 C ATOM 49 C ASN A 4 49.992 -18.333 5.266 1.00 1.00 C ATOM 50 O ASN A 4 50.388 -18.380 6.430 1.00 1.00 O ATOM 51 CB ASN A 4 47.648 -19.086 5.699 1.00 1.00 C ATOM 52 CG ASN A 4 47.966 -19.063 7.191 1.00 1.00 C ATOM 53 OD1 ASN A 4 48.889 -19.742 7.640 1.00 1.00 O ATOM 54 ND2 ASN A 4 47.251 -18.322 7.992 1.00 1.00 N ATOM 0 H ASN A 4 47.840 -17.328 3.106 1.00 1.00 H new ATOM 0 HA ASN A 4 48.270 -17.060 5.286 1.00 1.00 H new ATOM 0 HB2 ASN A 4 46.594 -18.856 5.541 1.00 1.00 H new ATOM 0 HB3 ASN A 4 47.820 -20.085 5.299 1.00 1.00 H new ATOM 0 HD21 ASN A 4 47.457 -18.305 8.991 1.00 1.00 H new ATOM 0 HD22 ASN A 4 46.486 -17.759 7.619 1.00 1.00 H new ATOM 61 N ARG A 5 50.800 -18.504 4.223 1.00 1.00 N ATOM 62 CA ARG A 5 52.226 -18.761 4.407 1.00 1.00 C ATOM 63 C ARG A 5 52.988 -17.447 4.548 1.00 1.00 C ATOM 64 O ARG A 5 53.476 -17.119 5.629 1.00 1.00 O ATOM 65 CB ARG A 5 52.776 -19.558 3.222 1.00 1.00 C ATOM 66 CG ARG A 5 54.234 -19.936 3.495 1.00 1.00 C ATOM 67 CD ARG A 5 54.744 -20.859 2.386 1.00 1.00 C ATOM 68 NE ARG A 5 54.806 -20.145 1.115 1.00 1.00 N ATOM 69 CZ ARG A 5 55.133 -20.772 -0.009 1.00 1.00 C ATOM 70 NH1 ARG A 5 55.387 -22.053 0.010 1.00 1.00 N ATOM 71 NH2 ARG A 5 55.199 -20.112 -1.132 1.00 1.00 N ATOM 0 H ARG A 5 50.496 -18.470 3.250 1.00 1.00 H new ATOM 0 HA ARG A 5 52.358 -19.344 5.319 1.00 1.00 H new ATOM 0 HB2 ARG A 5 52.179 -20.457 3.066 1.00 1.00 H new ATOM 0 HB3 ARG A 5 52.707 -18.967 2.309 1.00 1.00 H new ATOM 0 HG2 ARG A 5 54.849 -19.038 3.545 1.00 1.00 H new ATOM 0 HG3 ARG A 5 54.316 -20.433 4.462 1.00 1.00 H new ATOM 0 HD2 ARG A 5 55.733 -21.238 2.646 1.00 1.00 H new ATOM 0 HD3 ARG A 5 54.086 -21.723 2.293 1.00 1.00 H new ATOM 0 HE ARG A 5 54.595 -19.147 1.089 1.00 1.00 H new ATOM 0 HH11 ARG A 5 55.334 -22.570 0.887 1.00 1.00 H new ATOM 0 HH12 ARG A 5 55.638 -22.536 -0.853 1.00 1.00 H new ATOM 0 HH21 ARG A 5 54.999 -19.112 -1.148 1.00 1.00 H new ATOM 0 HH22 ARG A 5 55.450 -20.596 -1.994 1.00 1.00 H new ATOM 85 N LYS A 6 53.090 -16.700 3.449 1.00 1.00 N ATOM 86 CA LYS A 6 53.804 -15.425 3.468 1.00 1.00 C ATOM 87 C LYS A 6 55.247 -15.649 3.890 1.00 1.00 C ATOM 88 O LYS A 6 55.546 -16.557 4.666 1.00 1.00 O ATOM 89 CB LYS A 6 53.128 -14.452 4.436 1.00 1.00 C ATOM 90 CG LYS A 6 53.722 -13.055 4.243 1.00 1.00 C ATOM 91 CD LYS A 6 53.006 -12.059 5.156 1.00 1.00 C ATOM 92 CE LYS A 6 53.596 -10.662 4.946 1.00 1.00 C ATOM 93 NZ LYS A 6 52.907 -9.691 5.842 1.00 1.00 N ATOM 0 H LYS A 6 52.692 -16.952 2.544 1.00 1.00 H new ATOM 0 HA LYS A 6 53.783 -14.996 2.466 1.00 1.00 H new ATOM 0 HB2 LYS A 6 52.053 -14.431 4.257 1.00 1.00 H new ATOM 0 HB3 LYS A 6 53.274 -14.783 5.464 1.00 1.00 H new ATOM 0 HG2 LYS A 6 54.788 -13.068 4.469 1.00 1.00 H new ATOM 0 HG3 LYS A 6 53.621 -12.747 3.202 1.00 1.00 H new ATOM 0 HD2 LYS A 6 51.938 -12.051 4.938 1.00 1.00 H new ATOM 0 HD3 LYS A 6 53.116 -12.360 6.198 1.00 1.00 H new ATOM 0 HE2 LYS A 6 54.665 -10.672 5.157 1.00 1.00 H new ATOM 0 HE3 LYS A 6 53.479 -10.359 3.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 53.308 -8.742 5.699 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 51.891 -9.675 5.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 53.041 -9.978 6.833 1.00 1.00 H new ATOM 107 N ALA A 7 56.139 -14.824 3.370 1.00 1.00 N ATOM 108 CA ALA A 7 57.555 -14.954 3.699 1.00 1.00 C ATOM 109 C ALA A 7 58.313 -13.678 3.349 1.00 1.00 C ATOM 110 O ALA A 7 57.967 -12.592 3.815 1.00 1.00 O ATOM 111 CB ALA A 7 58.156 -16.143 2.945 1.00 1.00 C ATOM 0 H ALA A 7 55.916 -14.065 2.726 1.00 1.00 H new ATOM 0 HA ALA A 7 57.646 -15.123 4.772 1.00 1.00 H new ATOM 0 HB1 ALA A 7 59.213 -16.235 3.194 1.00 1.00 H new ATOM 0 HB2 ALA A 7 57.635 -17.056 3.231 1.00 1.00 H new ATOM 0 HB3 ALA A 7 58.049 -15.985 1.872 1.00 1.00 H new ATOM 117 N LYS A 8 59.351 -13.812 2.522 1.00 1.00 N ATOM 118 CA LYS A 8 60.154 -12.650 2.114 1.00 1.00 C ATOM 119 C LYS A 8 60.506 -12.744 0.632 1.00 1.00 C ATOM 120 O LYS A 8 61.462 -12.122 0.170 1.00 1.00 O ATOM 121 CB LYS A 8 61.445 -12.566 2.953 1.00 1.00 C ATOM 122 CG LYS A 8 61.973 -11.115 2.976 1.00 1.00 C ATOM 123 CD LYS A 8 61.324 -10.336 4.127 1.00 1.00 C ATOM 124 CE LYS A 8 61.933 -8.935 4.199 1.00 1.00 C ATOM 125 NZ LYS A 8 61.392 -8.215 5.387 1.00 1.00 N ATOM 0 H LYS A 8 59.656 -14.700 2.124 1.00 1.00 H new ATOM 0 HA LYS A 8 59.564 -11.749 2.283 1.00 1.00 H new ATOM 0 HB2 LYS A 8 61.249 -12.906 3.970 1.00 1.00 H new ATOM 0 HB3 LYS A 8 62.202 -13.230 2.536 1.00 1.00 H new ATOM 0 HG2 LYS A 8 63.057 -11.116 3.093 1.00 1.00 H new ATOM 0 HG3 LYS A 8 61.755 -10.625 2.027 1.00 1.00 H new ATOM 0 HD2 LYS A 8 60.247 -10.269 3.974 1.00 1.00 H new ATOM 0 HD3 LYS A 8 61.480 -10.861 5.069 1.00 1.00 H new ATOM 0 HE2 LYS A 8 63.019 -9.002 4.265 1.00 1.00 H new ATOM 0 HE3 LYS A 8 61.703 -8.380 3.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 61.807 -7.263 5.434 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 60.358 -8.138 5.305 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 61.633 -8.741 6.251 1.00 1.00 H new ATOM 139 N ALA A 9 59.718 -13.519 -0.108 1.00 1.00 N ATOM 140 CA ALA A 9 59.940 -13.684 -1.550 1.00 1.00 C ATOM 141 C ALA A 9 58.607 -13.828 -2.280 1.00 1.00 C ATOM 142 O ALA A 9 58.447 -13.328 -3.394 1.00 1.00 O ATOM 143 CB ALA A 9 60.832 -14.903 -1.840 1.00 1.00 C ATOM 0 H ALA A 9 58.923 -14.042 0.260 1.00 1.00 H new ATOM 0 HA ALA A 9 60.452 -12.793 -1.913 1.00 1.00 H new ATOM 0 HB1 ALA A 9 60.978 -14.999 -2.916 1.00 1.00 H new ATOM 0 HB2 ALA A 9 61.798 -14.771 -1.353 1.00 1.00 H new ATOM 0 HB3 ALA A 9 60.353 -15.804 -1.457 1.00 1.00 H new ATOM 149 N LYS A 10 57.646 -14.500 -1.647 1.00 1.00 N ATOM 150 CA LYS A 10 56.330 -14.678 -2.260 1.00 1.00 C ATOM 151 C LYS A 10 56.464 -15.065 -3.734 1.00 1.00 C ATOM 152 O LYS A 10 56.111 -14.286 -4.618 1.00 1.00 O ATOM 153 CB LYS A 10 55.534 -13.374 -2.154 1.00 1.00 C ATOM 154 CG LYS A 10 55.526 -12.898 -0.694 1.00 1.00 C ATOM 155 CD LYS A 10 54.540 -11.730 -0.520 1.00 1.00 C ATOM 156 CE LYS A 10 55.195 -10.419 -0.967 1.00 1.00 C ATOM 157 NZ LYS A 10 54.264 -9.286 -0.696 1.00 1.00 N ATOM 0 H LYS A 10 57.750 -14.924 -0.725 1.00 1.00 H new ATOM 0 HA LYS A 10 55.811 -15.478 -1.732 1.00 1.00 H new ATOM 0 HB2 LYS A 10 55.977 -12.611 -2.794 1.00 1.00 H new ATOM 0 HB3 LYS A 10 54.513 -13.529 -2.503 1.00 1.00 H new ATOM 0 HG2 LYS A 10 55.245 -13.721 -0.037 1.00 1.00 H new ATOM 0 HG3 LYS A 10 56.528 -12.584 -0.401 1.00 1.00 H new ATOM 0 HD2 LYS A 10 53.639 -11.914 -1.105 1.00 1.00 H new ATOM 0 HD3 LYS A 10 54.233 -11.655 0.523 1.00 1.00 H new ATOM 0 HE2 LYS A 10 56.134 -10.268 -0.435 1.00 1.00 H new ATOM 0 HE3 LYS A 10 55.434 -10.462 -2.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 54.705 -8.394 -0.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 53.379 -9.430 -1.223 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 54.057 -9.242 0.322 1.00 1.00 H new ATOM 171 N PRO A 11 56.966 -16.242 -4.013 1.00 1.00 N ATOM 172 CA PRO A 11 57.146 -16.722 -5.415 1.00 1.00 C ATOM 173 C PRO A 11 55.827 -17.056 -6.091 1.00 1.00 C ATOM 174 O PRO A 11 54.919 -17.589 -5.464 1.00 1.00 O ATOM 175 CB PRO A 11 58.044 -17.958 -5.262 1.00 1.00 C ATOM 176 CG PRO A 11 57.751 -18.475 -3.889 1.00 1.00 C ATOM 177 CD PRO A 11 57.414 -17.249 -3.031 1.00 1.00 C ATOM 0 HA PRO A 11 57.584 -15.959 -6.059 1.00 1.00 H new ATOM 0 HB2 PRO A 11 57.820 -18.706 -6.023 1.00 1.00 H new ATOM 0 HB3 PRO A 11 59.097 -17.698 -5.371 1.00 1.00 H new ATOM 0 HG2 PRO A 11 56.918 -19.178 -3.908 1.00 1.00 H new ATOM 0 HG3 PRO A 11 58.610 -19.010 -3.483 1.00 1.00 H new ATOM 0 HD2 PRO A 11 56.634 -17.473 -2.303 1.00 1.00 H new ATOM 0 HD3 PRO A 11 58.282 -16.902 -2.471 1.00 1.00 H new ATOM 185 N VAL A 12 55.738 -16.741 -7.380 1.00 1.00 N ATOM 186 CA VAL A 12 54.524 -17.019 -8.136 1.00 1.00 C ATOM 187 C VAL A 12 54.229 -18.502 -8.097 1.00 1.00 C ATOM 188 O VAL A 12 53.085 -18.933 -8.247 1.00 1.00 O ATOM 189 CB VAL A 12 54.668 -16.555 -9.585 1.00 1.00 C ATOM 190 CG1 VAL A 12 53.299 -16.590 -10.259 1.00 1.00 C ATOM 191 CG2 VAL A 12 55.217 -15.127 -9.609 1.00 1.00 C ATOM 0 H VAL A 12 56.484 -16.298 -7.917 1.00 1.00 H new ATOM 0 HA VAL A 12 53.699 -16.471 -7.681 1.00 1.00 H new ATOM 0 HB VAL A 12 55.354 -17.213 -10.118 1.00 1.00 H new ATOM 0 HG11 VAL A 12 53.394 -16.260 -11.293 1.00 1.00 H new ATOM 0 HG12 VAL A 12 52.909 -17.607 -10.237 1.00 1.00 H new ATOM 0 HG13 VAL A 12 52.615 -15.928 -9.728 1.00 1.00 H new ATOM 0 HG21 VAL A 12 55.320 -14.794 -10.642 1.00 1.00 H new ATOM 0 HG22 VAL A 12 54.531 -14.465 -9.081 1.00 1.00 H new ATOM 0 HG23 VAL A 12 56.191 -15.104 -9.121 1.00 1.00 H new ATOM 201 N THR A 13 55.272 -19.269 -7.870 1.00 1.00 N ATOM 202 CA THR A 13 55.141 -20.710 -7.777 1.00 1.00 C ATOM 203 C THR A 13 54.253 -21.060 -6.594 1.00 1.00 C ATOM 204 O THR A 13 53.713 -22.164 -6.516 1.00 1.00 O ATOM 205 CB THR A 13 56.515 -21.361 -7.603 1.00 1.00 C ATOM 206 OG1 THR A 13 57.392 -20.895 -8.619 1.00 1.00 O ATOM 207 CG2 THR A 13 56.381 -22.883 -7.697 1.00 1.00 C ATOM 0 H THR A 13 56.223 -18.920 -7.746 1.00 1.00 H new ATOM 0 HA THR A 13 54.692 -21.086 -8.697 1.00 1.00 H new ATOM 0 HB THR A 13 56.919 -21.097 -6.626 1.00 1.00 H new ATOM 0 HG1 THR A 13 58.273 -21.310 -8.507 1.00 1.00 H new ATOM 0 HG21 THR A 13 57.361 -23.343 -7.573 1.00 1.00 H new ATOM 0 HG22 THR A 13 55.711 -23.238 -6.914 1.00 1.00 H new ATOM 0 HG23 THR A 13 55.975 -23.153 -8.672 1.00 1.00 H new ATOM 215 N ARG A 14 54.109 -20.114 -5.664 1.00 1.00 N ATOM 216 CA ARG A 14 53.276 -20.371 -4.482 1.00 1.00 C ATOM 217 C ARG A 14 51.838 -20.703 -4.890 1.00 1.00 C ATOM 218 O ARG A 14 51.238 -21.643 -4.369 1.00 1.00 O ATOM 219 CB ARG A 14 53.271 -19.161 -3.526 1.00 1.00 C ATOM 220 CG ARG A 14 52.395 -18.033 -4.090 1.00 1.00 C ATOM 221 CD ARG A 14 52.616 -16.763 -3.267 1.00 1.00 C ATOM 222 NE ARG A 14 52.106 -16.948 -1.913 1.00 1.00 N ATOM 223 CZ ARG A 14 52.528 -16.187 -0.908 1.00 1.00 C ATOM 224 NH1 ARG A 14 53.434 -15.273 -1.117 1.00 1.00 N ATOM 225 NH2 ARG A 14 52.041 -16.360 0.290 1.00 1.00 N ATOM 0 H ARG A 14 54.542 -19.191 -5.699 1.00 1.00 H new ATOM 0 HA ARG A 14 53.708 -21.226 -3.962 1.00 1.00 H new ATOM 0 HB2 ARG A 14 52.898 -19.465 -2.548 1.00 1.00 H new ATOM 0 HB3 ARG A 14 54.289 -18.801 -3.381 1.00 1.00 H new ATOM 0 HG2 ARG A 14 52.645 -17.851 -5.135 1.00 1.00 H new ATOM 0 HG3 ARG A 14 51.345 -18.322 -4.059 1.00 1.00 H new ATOM 0 HD2 ARG A 14 53.679 -16.522 -3.234 1.00 1.00 H new ATOM 0 HD3 ARG A 14 52.113 -15.921 -3.742 1.00 1.00 H new ATOM 0 HE ARG A 14 51.413 -17.675 -1.734 1.00 1.00 H new ATOM 0 HH11 ARG A 14 53.819 -15.141 -2.052 1.00 1.00 H new ATOM 0 HH12 ARG A 14 53.757 -14.689 -0.345 1.00 1.00 H new ATOM 0 HH21 ARG A 14 51.337 -17.079 0.455 1.00 1.00 H new ATOM 0 HH22 ARG A 14 52.365 -15.776 1.061 1.00 1.00 H new ATOM 239 N GLY A 15 51.291 -19.918 -5.818 1.00 1.00 N ATOM 240 CA GLY A 15 49.913 -20.117 -6.289 1.00 1.00 C ATOM 241 C GLY A 15 49.083 -18.868 -6.011 1.00 1.00 C ATOM 242 O GLY A 15 48.751 -18.577 -4.861 1.00 1.00 O ATOM 0 H GLY A 15 51.777 -19.138 -6.260 1.00 1.00 H new ATOM 0 HA2 GLY A 15 49.912 -20.334 -7.357 1.00 1.00 H new ATOM 0 HA3 GLY A 15 49.469 -20.978 -5.789 1.00 1.00 H new ATOM 246 N THR A 16 48.767 -18.126 -7.066 1.00 1.00 N ATOM 247 CA THR A 16 47.990 -16.895 -6.921 1.00 1.00 C ATOM 248 C THR A 16 46.519 -17.203 -6.655 1.00 1.00 C ATOM 249 O THR A 16 45.631 -16.501 -7.139 1.00 1.00 O ATOM 250 CB THR A 16 48.122 -16.036 -8.186 1.00 1.00 C ATOM 251 OG1 THR A 16 47.225 -16.508 -9.182 1.00 1.00 O ATOM 252 CG2 THR A 16 49.558 -16.116 -8.714 1.00 1.00 C ATOM 0 H THR A 16 49.033 -18.350 -8.025 1.00 1.00 H new ATOM 0 HA THR A 16 48.385 -16.344 -6.067 1.00 1.00 H new ATOM 0 HB THR A 16 47.881 -15.001 -7.943 1.00 1.00 H new ATOM 0 HG1 THR A 16 46.304 -16.309 -8.913 1.00 1.00 H new ATOM 0 HG21 THR A 16 49.650 -15.505 -9.612 1.00 1.00 H new ATOM 0 HG22 THR A 16 50.246 -15.748 -7.953 1.00 1.00 H new ATOM 0 HG23 THR A 16 49.801 -17.151 -8.953 1.00 1.00 H new ATOM 260 N GLY A 17 46.266 -18.255 -5.879 1.00 1.00 N ATOM 261 CA GLY A 17 44.885 -18.635 -5.557 1.00 1.00 C ATOM 262 C GLY A 17 44.032 -18.673 -6.820 1.00 1.00 C ATOM 263 O GLY A 17 42.956 -18.079 -6.871 1.00 1.00 O ATOM 0 H GLY A 17 46.982 -18.852 -5.466 1.00 1.00 H new ATOM 0 HA2 GLY A 17 44.874 -19.612 -5.074 1.00 1.00 H new ATOM 0 HA3 GLY A 17 44.462 -17.924 -4.847 1.00 1.00 H new ATOM 267 N ALA A 18 44.524 -19.371 -7.838 1.00 1.00 N ATOM 268 CA ALA A 18 43.804 -19.476 -9.102 1.00 1.00 C ATOM 269 C ALA A 18 42.554 -20.354 -8.930 1.00 1.00 C ATOM 270 O ALA A 18 42.585 -21.320 -8.170 1.00 1.00 O ATOM 271 CB ALA A 18 44.723 -20.086 -10.167 1.00 1.00 C ATOM 0 H ALA A 18 45.413 -19.870 -7.813 1.00 1.00 H new ATOM 0 HA ALA A 18 43.493 -18.480 -9.417 1.00 1.00 H new ATOM 0 HB1 ALA A 18 44.184 -20.164 -11.111 1.00 1.00 H new ATOM 0 HB2 ALA A 18 45.598 -19.450 -10.300 1.00 1.00 H new ATOM 0 HB3 ALA A 18 45.041 -21.078 -9.848 1.00 1.00 H new ATOM 277 N GLY A 19 41.455 -20.030 -9.628 1.00 1.00 N ATOM 278 CA GLY A 19 40.227 -20.828 -9.508 1.00 1.00 C ATOM 279 C GLY A 19 39.299 -20.235 -8.453 1.00 1.00 C ATOM 280 O GLY A 19 38.102 -20.525 -8.429 1.00 1.00 O ATOM 0 H GLY A 19 41.391 -19.238 -10.268 1.00 1.00 H new ATOM 0 HA2 GLY A 19 39.716 -20.864 -10.470 1.00 1.00 H new ATOM 0 HA3 GLY A 19 40.479 -21.855 -9.242 1.00 1.00 H new ATOM 284 N SER A 20 39.860 -19.407 -7.575 1.00 1.00 N ATOM 285 CA SER A 20 39.076 -18.779 -6.512 1.00 1.00 C ATOM 286 C SER A 20 38.374 -17.527 -7.018 1.00 1.00 C ATOM 287 O SER A 20 37.591 -16.906 -6.300 1.00 1.00 O ATOM 288 CB SER A 20 39.987 -18.416 -5.342 1.00 1.00 C ATOM 289 OG SER A 20 40.903 -17.407 -5.748 1.00 1.00 O ATOM 0 H SER A 20 40.849 -19.156 -7.577 1.00 1.00 H new ATOM 0 HA SER A 20 38.319 -19.490 -6.182 1.00 1.00 H new ATOM 0 HB2 SER A 20 39.392 -18.064 -4.500 1.00 1.00 H new ATOM 0 HB3 SER A 20 40.529 -19.299 -5.002 1.00 1.00 H new ATOM 0 HG SER A 20 41.497 -17.764 -6.441 1.00 1.00 H new ATOM 295 N ARG A 21 38.663 -17.167 -8.255 1.00 1.00 N ATOM 296 CA ARG A 21 38.057 -15.982 -8.861 1.00 1.00 C ATOM 297 C ARG A 21 36.538 -16.014 -8.670 1.00 1.00 C ATOM 298 O ARG A 21 35.951 -17.089 -8.640 1.00 1.00 O ATOM 299 CB ARG A 21 38.376 -15.938 -10.364 1.00 1.00 C ATOM 300 CG ARG A 21 39.911 -15.848 -10.597 1.00 1.00 C ATOM 301 CD ARG A 21 40.408 -17.066 -11.389 1.00 1.00 C ATOM 302 NE ARG A 21 39.594 -17.257 -12.586 1.00 1.00 N ATOM 303 CZ ARG A 21 39.679 -16.421 -13.616 1.00 1.00 C ATOM 304 NH1 ARG A 21 40.499 -15.405 -13.571 1.00 1.00 N ATOM 305 NH2 ARG A 21 38.942 -16.618 -14.674 1.00 1.00 N ATOM 0 H ARG A 21 39.309 -17.671 -8.862 1.00 1.00 H new ATOM 0 HA ARG A 21 38.466 -15.095 -8.376 1.00 1.00 H new ATOM 0 HB2 ARG A 21 37.981 -16.829 -10.851 1.00 1.00 H new ATOM 0 HB3 ARG A 21 37.883 -15.080 -10.821 1.00 1.00 H new ATOM 0 HG2 ARG A 21 40.149 -14.933 -11.139 1.00 1.00 H new ATOM 0 HG3 ARG A 21 40.428 -15.795 -9.639 1.00 1.00 H new ATOM 0 HD2 ARG A 21 41.452 -16.925 -11.669 1.00 1.00 H new ATOM 0 HD3 ARG A 21 40.363 -17.958 -10.764 1.00 1.00 H new ATOM 0 HE ARG A 21 38.949 -18.046 -12.633 1.00 1.00 H new ATOM 0 HH11 ARG A 21 41.076 -15.252 -12.744 1.00 1.00 H new ATOM 0 HH12 ARG A 21 40.562 -14.765 -14.363 1.00 1.00 H new ATOM 0 HH21 ARG A 21 38.303 -17.412 -14.709 1.00 1.00 H new ATOM 0 HH22 ARG A 21 39.005 -15.978 -15.466 1.00 1.00 H new ATOM 319 N PRO A 22 35.885 -14.879 -8.548 1.00 1.00 N ATOM 320 CA PRO A 22 34.403 -14.833 -8.372 1.00 1.00 C ATOM 321 C PRO A 22 33.668 -15.052 -9.690 1.00 1.00 C ATOM 322 O PRO A 22 33.322 -14.101 -10.388 1.00 1.00 O ATOM 323 CB PRO A 22 34.155 -13.431 -7.838 1.00 1.00 C ATOM 324 CG PRO A 22 35.237 -12.603 -8.455 1.00 1.00 C ATOM 325 CD PRO A 22 36.464 -13.520 -8.556 1.00 1.00 C ATOM 0 HA PRO A 22 34.038 -15.618 -7.709 1.00 1.00 H new ATOM 0 HB2 PRO A 22 33.167 -13.067 -8.119 1.00 1.00 H new ATOM 0 HB3 PRO A 22 34.206 -13.405 -6.750 1.00 1.00 H new ATOM 0 HG2 PRO A 22 34.938 -12.241 -9.439 1.00 1.00 H new ATOM 0 HG3 PRO A 22 35.454 -11.726 -7.845 1.00 1.00 H new ATOM 0 HD2 PRO A 22 37.031 -13.331 -9.467 1.00 1.00 H new ATOM 0 HD3 PRO A 22 37.146 -13.370 -7.719 1.00 1.00 H new ATOM 333 N ARG A 23 33.437 -16.313 -9.991 1.00 1.00 N ATOM 334 CA ARG A 23 32.743 -16.715 -11.213 1.00 1.00 C ATOM 335 C ARG A 23 32.671 -18.240 -11.306 1.00 1.00 C ATOM 336 O ARG A 23 33.693 -18.908 -11.460 1.00 1.00 O ATOM 337 CB ARG A 23 33.478 -16.167 -12.448 1.00 1.00 C ATOM 338 CG ARG A 23 32.833 -16.691 -13.741 1.00 1.00 C ATOM 339 CD ARG A 23 31.338 -16.345 -13.765 1.00 1.00 C ATOM 340 NE ARG A 23 30.572 -17.379 -13.074 1.00 1.00 N ATOM 341 CZ ARG A 23 29.356 -17.132 -12.597 1.00 1.00 C ATOM 342 NH1 ARG A 23 28.822 -15.950 -12.745 1.00 1.00 N ATOM 343 NH2 ARG A 23 28.695 -18.076 -11.984 1.00 1.00 N ATOM 0 H ARG A 23 33.722 -17.094 -9.400 1.00 1.00 H new ATOM 0 HA ARG A 23 31.733 -16.307 -11.182 1.00 1.00 H new ATOM 0 HB2 ARG A 23 33.453 -15.077 -12.439 1.00 1.00 H new ATOM 0 HB3 ARG A 23 34.527 -16.462 -12.414 1.00 1.00 H new ATOM 0 HG2 ARG A 23 33.329 -16.253 -14.607 1.00 1.00 H new ATOM 0 HG3 ARG A 23 32.965 -17.771 -13.810 1.00 1.00 H new ATOM 0 HD2 ARG A 23 31.173 -15.379 -13.288 1.00 1.00 H new ATOM 0 HD3 ARG A 23 30.994 -16.254 -14.795 1.00 1.00 H new ATOM 0 HE ARG A 23 30.977 -18.307 -12.955 1.00 1.00 H new ATOM 0 HH11 ARG A 23 29.338 -15.214 -13.227 1.00 1.00 H new ATOM 0 HH12 ARG A 23 27.889 -15.762 -12.378 1.00 1.00 H new ATOM 0 HH21 ARG A 23 29.112 -19.000 -11.872 1.00 1.00 H new ATOM 0 HH22 ARG A 23 27.762 -17.889 -11.617 1.00 1.00 H new ATOM 357 N GLY A 24 31.457 -18.783 -11.236 1.00 1.00 N ATOM 358 CA GLY A 24 31.259 -20.236 -11.336 1.00 1.00 C ATOM 359 C GLY A 24 31.036 -20.873 -9.967 1.00 1.00 C ATOM 360 O GLY A 24 30.307 -21.858 -9.850 1.00 1.00 O ATOM 0 H GLY A 24 30.598 -18.247 -11.111 1.00 1.00 H new ATOM 0 HA2 GLY A 24 30.402 -20.443 -11.977 1.00 1.00 H new ATOM 0 HA3 GLY A 24 32.129 -20.690 -11.811 1.00 1.00 H new ATOM 364 N GLN A 25 31.661 -20.310 -8.932 1.00 1.00 N ATOM 365 CA GLN A 25 31.518 -20.839 -7.569 1.00 1.00 C ATOM 366 C GLN A 25 30.859 -19.810 -6.670 1.00 1.00 C ATOM 367 O GLN A 25 31.377 -19.470 -5.607 1.00 1.00 O ATOM 368 CB GLN A 25 32.884 -21.204 -6.997 1.00 1.00 C ATOM 369 CG GLN A 25 33.848 -20.022 -7.139 1.00 1.00 C ATOM 370 CD GLN A 25 34.256 -19.844 -8.595 1.00 1.00 C ATOM 371 OE1 GLN A 25 34.593 -20.816 -9.272 1.00 1.00 O ATOM 372 NE2 GLN A 25 34.247 -18.650 -9.120 1.00 1.00 N ATOM 0 H GLN A 25 32.268 -19.493 -9.007 1.00 1.00 H new ATOM 0 HA GLN A 25 30.894 -21.732 -7.613 1.00 1.00 H new ATOM 0 HB2 GLN A 25 32.785 -21.479 -5.947 1.00 1.00 H new ATOM 0 HB3 GLN A 25 33.284 -22.074 -7.518 1.00 1.00 H new ATOM 0 HG2 GLN A 25 33.374 -19.111 -6.773 1.00 1.00 H new ATOM 0 HG3 GLN A 25 34.732 -20.190 -6.524 1.00 1.00 H new ATOM 0 HE21 GLN A 25 33.967 -17.847 -8.556 1.00 1.00 H new ATOM 0 HE22 GLN A 25 34.520 -18.519 -10.094 1.00 1.00 H new ATOM 381 N ASN A 26 29.708 -19.321 -7.101 1.00 1.00 N ATOM 382 CA ASN A 26 28.978 -18.335 -6.331 1.00 1.00 C ATOM 383 C ASN A 26 27.647 -18.022 -7.018 1.00 1.00 C ATOM 384 O ASN A 26 27.601 -17.297 -8.011 1.00 1.00 O ATOM 385 CB ASN A 26 29.821 -17.047 -6.191 1.00 1.00 C ATOM 386 CG ASN A 26 30.626 -17.066 -4.893 1.00 1.00 C ATOM 387 OD1 ASN A 26 31.804 -16.710 -4.885 1.00 1.00 O ATOM 388 ND2 ASN A 26 30.048 -17.457 -3.792 1.00 1.00 N ATOM 0 H ASN A 26 29.262 -19.591 -7.978 1.00 1.00 H new ATOM 0 HA ASN A 26 28.777 -18.734 -5.337 1.00 1.00 H new ATOM 0 HB2 ASN A 26 30.496 -16.954 -7.042 1.00 1.00 H new ATOM 0 HB3 ASN A 26 29.167 -16.175 -6.206 1.00 1.00 H new ATOM 0 HD21 ASN A 26 30.572 -17.469 -2.917 1.00 1.00 H new ATOM 0 HD22 ASN A 26 29.071 -17.751 -3.805 1.00 1.00 H new ATOM 395 N LYS A 27 26.575 -18.583 -6.482 1.00 1.00 N ATOM 396 CA LYS A 27 25.244 -18.375 -7.051 1.00 1.00 C ATOM 397 C LYS A 27 24.822 -16.905 -6.970 1.00 1.00 C ATOM 398 O LYS A 27 23.813 -16.514 -7.557 1.00 1.00 O ATOM 399 CB LYS A 27 24.215 -19.239 -6.315 1.00 1.00 C ATOM 400 CG LYS A 27 24.562 -20.721 -6.517 1.00 1.00 C ATOM 401 CD LYS A 27 23.607 -21.622 -5.699 1.00 1.00 C ATOM 402 CE LYS A 27 24.212 -21.934 -4.322 1.00 1.00 C ATOM 403 NZ LYS A 27 24.870 -20.717 -3.771 1.00 1.00 N ATOM 0 H LYS A 27 26.595 -19.184 -5.658 1.00 1.00 H new ATOM 0 HA LYS A 27 25.286 -18.664 -8.101 1.00 1.00 H new ATOM 0 HB2 LYS A 27 24.212 -18.996 -5.253 1.00 1.00 H new ATOM 0 HB3 LYS A 27 23.213 -19.033 -6.692 1.00 1.00 H new ATOM 0 HG2 LYS A 27 24.493 -20.975 -7.575 1.00 1.00 H new ATOM 0 HG3 LYS A 27 25.592 -20.903 -6.212 1.00 1.00 H new ATOM 0 HD2 LYS A 27 22.645 -21.125 -5.576 1.00 1.00 H new ATOM 0 HD3 LYS A 27 23.420 -22.550 -6.240 1.00 1.00 H new ATOM 0 HE2 LYS A 27 23.432 -22.276 -3.642 1.00 1.00 H new ATOM 0 HE3 LYS A 27 24.937 -22.743 -4.408 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 25.233 -20.920 -2.818 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 25.658 -20.438 -4.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 24.179 -19.942 -3.720 1.00 1.00 H new ATOM 417 N GLU A 28 25.592 -16.098 -6.243 1.00 1.00 N ATOM 418 CA GLU A 28 25.282 -14.675 -6.094 1.00 1.00 C ATOM 419 C GLU A 28 23.884 -14.494 -5.517 1.00 1.00 C ATOM 420 O GLU A 28 23.216 -13.493 -5.778 1.00 1.00 O ATOM 421 CB GLU A 28 25.385 -13.965 -7.448 1.00 1.00 C ATOM 422 CG GLU A 28 26.846 -13.944 -7.904 1.00 1.00 C ATOM 423 CD GLU A 28 26.953 -13.293 -9.278 1.00 1.00 C ATOM 424 OE1 GLU A 28 25.928 -12.886 -9.799 1.00 1.00 O ATOM 425 OE2 GLU A 28 28.058 -13.211 -9.789 1.00 1.00 O ATOM 0 H GLU A 28 26.431 -16.402 -5.750 1.00 1.00 H new ATOM 0 HA GLU A 28 26.005 -14.234 -5.408 1.00 1.00 H new ATOM 0 HB2 GLU A 28 24.770 -14.478 -8.187 1.00 1.00 H new ATOM 0 HB3 GLU A 28 25.004 -12.947 -7.367 1.00 1.00 H new ATOM 0 HG2 GLU A 28 27.453 -13.395 -7.184 1.00 1.00 H new ATOM 0 HG3 GLU A 28 27.238 -14.960 -7.942 1.00 1.00 H new ATOM 432 N ARG A 29 23.453 -15.469 -4.723 1.00 1.00 N ATOM 433 CA ARG A 29 22.134 -15.419 -4.097 1.00 1.00 C ATOM 434 C ARG A 29 22.169 -14.530 -2.847 1.00 1.00 C ATOM 435 O ARG A 29 21.225 -13.787 -2.587 1.00 1.00 O ATOM 436 CB ARG A 29 21.674 -16.853 -3.736 1.00 1.00 C ATOM 437 CG ARG A 29 20.176 -17.036 -4.044 1.00 1.00 C ATOM 438 CD ARG A 29 19.623 -18.230 -3.257 1.00 1.00 C ATOM 439 NE ARG A 29 20.476 -19.402 -3.436 1.00 1.00 N ATOM 440 CZ ARG A 29 20.264 -20.513 -2.738 1.00 1.00 C ATOM 441 NH1 ARG A 29 19.284 -20.563 -1.877 1.00 1.00 N ATOM 442 NH2 ARG A 29 21.035 -21.553 -2.909 1.00 1.00 N ATOM 0 H ARG A 29 23.996 -16.302 -4.497 1.00 1.00 H new ATOM 0 HA ARG A 29 21.421 -14.987 -4.799 1.00 1.00 H new ATOM 0 HB2 ARG A 29 22.258 -17.581 -4.299 1.00 1.00 H new ATOM 0 HB3 ARG A 29 21.860 -17.045 -2.679 1.00 1.00 H new ATOM 0 HG2 ARG A 29 19.629 -16.131 -3.781 1.00 1.00 H new ATOM 0 HG3 ARG A 29 20.032 -17.196 -5.113 1.00 1.00 H new ATOM 0 HD2 ARG A 29 19.560 -17.977 -2.199 1.00 1.00 H new ATOM 0 HD3 ARG A 29 18.610 -18.456 -3.592 1.00 1.00 H new ATOM 0 HE ARG A 29 21.245 -19.367 -4.106 1.00 1.00 H new ATOM 0 HH11 ARG A 29 18.683 -19.750 -1.741 1.00 1.00 H new ATOM 0 HH12 ARG A 29 19.120 -21.415 -1.340 1.00 1.00 H new ATOM 0 HH21 ARG A 29 21.802 -21.514 -3.580 1.00 1.00 H new ATOM 0 HH22 ARG A 29 20.870 -22.404 -2.372 1.00 1.00 H new ATOM 456 N PRO A 30 23.228 -14.587 -2.076 1.00 1.00 N ATOM 457 CA PRO A 30 23.364 -13.765 -0.848 1.00 1.00 C ATOM 458 C PRO A 30 24.054 -12.416 -1.129 1.00 1.00 C ATOM 459 O PRO A 30 25.243 -12.388 -1.447 1.00 1.00 O ATOM 460 CB PRO A 30 24.229 -14.656 0.053 1.00 1.00 C ATOM 461 CG PRO A 30 25.080 -15.482 -0.883 1.00 1.00 C ATOM 462 CD PRO A 30 24.411 -15.439 -2.275 1.00 1.00 C ATOM 0 HA PRO A 30 22.404 -13.495 -0.407 1.00 1.00 H new ATOM 0 HB2 PRO A 30 24.849 -14.055 0.718 1.00 1.00 H new ATOM 0 HB3 PRO A 30 23.609 -15.293 0.684 1.00 1.00 H new ATOM 0 HG2 PRO A 30 26.094 -15.084 -0.932 1.00 1.00 H new ATOM 0 HG3 PRO A 30 25.157 -16.509 -0.526 1.00 1.00 H new ATOM 0 HD2 PRO A 30 25.081 -15.022 -3.027 1.00 1.00 H new ATOM 0 HD3 PRO A 30 24.132 -16.436 -2.615 1.00 1.00 H new ATOM 470 N PRO A 31 23.352 -11.302 -1.025 1.00 1.00 N ATOM 471 CA PRO A 31 23.963 -9.965 -1.286 1.00 1.00 C ATOM 472 C PRO A 31 25.285 -9.752 -0.532 1.00 1.00 C ATOM 473 O PRO A 31 26.238 -9.227 -1.107 1.00 1.00 O ATOM 474 CB PRO A 31 22.888 -8.942 -0.861 1.00 1.00 C ATOM 475 CG PRO A 31 21.588 -9.700 -0.828 1.00 1.00 C ATOM 476 CD PRO A 31 21.922 -11.195 -0.671 1.00 1.00 C ATOM 0 HA PRO A 31 24.237 -9.860 -2.336 1.00 1.00 H new ATOM 0 HB2 PRO A 31 23.118 -8.517 0.116 1.00 1.00 H new ATOM 0 HB3 PRO A 31 22.838 -8.112 -1.566 1.00 1.00 H new ATOM 0 HG2 PRO A 31 20.967 -9.358 -0.000 1.00 1.00 H new ATOM 0 HG3 PRO A 31 21.022 -9.529 -1.744 1.00 1.00 H new ATOM 0 HD2 PRO A 31 21.740 -11.536 0.348 1.00 1.00 H new ATOM 0 HD3 PRO A 31 21.305 -11.809 -1.327 1.00 1.00 H new ATOM 484 N PRO A 32 25.380 -10.142 0.722 1.00 1.00 N ATOM 485 CA PRO A 32 26.637 -9.970 1.509 1.00 1.00 C ATOM 486 C PRO A 32 27.799 -10.745 0.892 1.00 1.00 C ATOM 487 O PRO A 32 27.597 -11.783 0.263 1.00 1.00 O ATOM 488 CB PRO A 32 26.287 -10.504 2.913 1.00 1.00 C ATOM 489 CG PRO A 32 24.793 -10.531 2.965 1.00 1.00 C ATOM 490 CD PRO A 32 24.327 -10.780 1.535 1.00 1.00 C ATOM 0 HA PRO A 32 26.967 -8.931 1.531 1.00 1.00 H new ATOM 0 HB2 PRO A 32 26.704 -11.499 3.070 1.00 1.00 H new ATOM 0 HB3 PRO A 32 26.696 -9.860 3.692 1.00 1.00 H new ATOM 0 HG2 PRO A 32 24.440 -11.317 3.633 1.00 1.00 H new ATOM 0 HG3 PRO A 32 24.399 -9.589 3.345 1.00 1.00 H new ATOM 0 HD2 PRO A 32 24.241 -11.845 1.319 1.00 1.00 H new ATOM 0 HD3 PRO A 32 23.349 -10.337 1.347 1.00 1.00 H new ATOM 498 N VAL A 33 29.013 -10.227 1.071 1.00 1.00 N ATOM 499 CA VAL A 33 30.209 -10.868 0.529 1.00 1.00 C ATOM 500 C VAL A 33 30.097 -12.397 0.603 1.00 1.00 C ATOM 501 O VAL A 33 29.468 -12.928 1.520 1.00 1.00 O ATOM 502 CB VAL A 33 31.432 -10.402 1.317 1.00 1.00 C ATOM 503 CG1 VAL A 33 31.605 -8.894 1.141 1.00 1.00 C ATOM 504 CG2 VAL A 33 31.238 -10.726 2.801 1.00 1.00 C ATOM 0 H VAL A 33 29.194 -9.366 1.587 1.00 1.00 H new ATOM 0 HA VAL A 33 30.311 -10.585 -0.519 1.00 1.00 H new ATOM 0 HB VAL A 33 32.320 -10.915 0.948 1.00 1.00 H new ATOM 0 HG11 VAL A 33 32.477 -8.560 1.703 1.00 1.00 H new ATOM 0 HG12 VAL A 33 31.744 -8.665 0.085 1.00 1.00 H new ATOM 0 HG13 VAL A 33 30.717 -8.380 1.510 1.00 1.00 H new ATOM 0 HG21 VAL A 33 32.111 -10.393 3.363 1.00 1.00 H new ATOM 0 HG22 VAL A 33 30.350 -10.214 3.172 1.00 1.00 H new ATOM 0 HG23 VAL A 33 31.115 -11.802 2.925 1.00 1.00 H new ATOM 514 N PRO A 34 30.676 -13.111 -0.334 1.00 1.00 N ATOM 515 CA PRO A 34 30.614 -14.606 -0.354 1.00 1.00 C ATOM 516 C PRO A 34 31.441 -15.244 0.765 1.00 1.00 C ATOM 517 O PRO A 34 32.450 -14.691 1.201 1.00 1.00 O ATOM 518 CB PRO A 34 31.166 -14.965 -1.741 1.00 1.00 C ATOM 519 CG PRO A 34 32.091 -13.845 -2.076 1.00 1.00 C ATOM 520 CD PRO A 34 31.457 -12.591 -1.474 1.00 1.00 C ATOM 0 HA PRO A 34 29.604 -14.980 -0.183 1.00 1.00 H new ATOM 0 HB2 PRO A 34 31.690 -15.921 -1.725 1.00 1.00 H new ATOM 0 HB3 PRO A 34 30.366 -15.052 -2.476 1.00 1.00 H new ATOM 0 HG2 PRO A 34 33.084 -14.020 -1.661 1.00 1.00 H new ATOM 0 HG3 PRO A 34 32.210 -13.744 -3.155 1.00 1.00 H new ATOM 0 HD2 PRO A 34 32.213 -11.876 -1.149 1.00 1.00 H new ATOM 0 HD3 PRO A 34 30.821 -12.077 -2.195 1.00 1.00 H new ATOM 528 N ASN A 35 31.001 -16.417 1.218 1.00 1.00 N ATOM 529 CA ASN A 35 31.703 -17.134 2.279 1.00 1.00 C ATOM 530 C ASN A 35 33.230 -17.047 2.097 1.00 1.00 C ATOM 531 O ASN A 35 33.930 -16.504 2.947 1.00 1.00 O ATOM 532 CB ASN A 35 31.257 -18.615 2.310 1.00 1.00 C ATOM 533 CG ASN A 35 30.216 -18.840 3.409 1.00 1.00 C ATOM 534 OD1 ASN A 35 30.192 -19.899 4.036 1.00 1.00 O ATOM 535 ND2 ASN A 35 29.358 -17.894 3.681 1.00 1.00 N ATOM 0 H ASN A 35 30.166 -16.888 0.869 1.00 1.00 H new ATOM 0 HA ASN A 35 31.447 -16.662 3.228 1.00 1.00 H new ATOM 0 HB2 ASN A 35 30.839 -18.895 1.343 1.00 1.00 H new ATOM 0 HB3 ASN A 35 32.121 -19.257 2.482 1.00 1.00 H new ATOM 0 HD21 ASN A 35 28.664 -18.031 4.416 1.00 1.00 H new ATOM 0 HD22 ASN A 35 29.382 -17.018 3.159 1.00 1.00 H new ATOM 542 N PRO A 36 33.755 -17.593 1.023 1.00 1.00 N ATOM 543 CA PRO A 36 35.225 -17.596 0.758 1.00 1.00 C ATOM 544 C PRO A 36 35.852 -16.215 0.919 1.00 1.00 C ATOM 545 O PRO A 36 37.073 -16.074 0.855 1.00 1.00 O ATOM 546 CB PRO A 36 35.354 -18.115 -0.697 1.00 1.00 C ATOM 547 CG PRO A 36 33.959 -18.132 -1.250 1.00 1.00 C ATOM 548 CD PRO A 36 33.022 -18.275 -0.057 1.00 1.00 C ATOM 0 HA PRO A 36 35.760 -18.221 1.473 1.00 1.00 H new ATOM 0 HB2 PRO A 36 36.001 -17.466 -1.288 1.00 1.00 H new ATOM 0 HB3 PRO A 36 35.796 -19.111 -0.719 1.00 1.00 H new ATOM 0 HG2 PRO A 36 33.749 -17.215 -1.801 1.00 1.00 H new ATOM 0 HG3 PRO A 36 33.828 -18.960 -1.947 1.00 1.00 H new ATOM 0 HD2 PRO A 36 32.055 -17.809 -0.245 1.00 1.00 H new ATOM 0 HD3 PRO A 36 32.831 -19.321 0.183 1.00 1.00 H new ATOM 556 N ASP A 37 35.013 -15.201 1.119 1.00 1.00 N ATOM 557 CA ASP A 37 35.508 -13.818 1.279 1.00 1.00 C ATOM 558 C ASP A 37 35.171 -13.217 2.655 1.00 1.00 C ATOM 559 O ASP A 37 35.310 -12.009 2.845 1.00 1.00 O ATOM 560 CB ASP A 37 34.930 -12.925 0.174 1.00 1.00 C ATOM 561 CG ASP A 37 35.582 -11.546 0.222 1.00 1.00 C ATOM 562 OD1 ASP A 37 36.801 -11.487 0.196 1.00 1.00 O ATOM 563 OD2 ASP A 37 34.853 -10.569 0.278 1.00 1.00 O ATOM 0 H ASP A 37 33.999 -15.299 1.175 1.00 1.00 H new ATOM 0 HA ASP A 37 36.594 -13.861 1.203 1.00 1.00 H new ATOM 0 HB2 ASP A 37 35.100 -13.383 -0.801 1.00 1.00 H new ATOM 0 HB3 ASP A 37 33.851 -12.831 0.298 1.00 1.00 H new ATOM 568 N TYR A 38 34.728 -14.047 3.615 1.00 1.00 N ATOM 569 CA TYR A 38 34.383 -13.543 4.966 1.00 1.00 C ATOM 570 C TYR A 38 35.041 -14.361 6.099 1.00 1.00 C ATOM 571 O TYR A 38 34.656 -14.202 7.258 1.00 1.00 O ATOM 572 CB TYR A 38 32.831 -13.495 5.140 1.00 1.00 C ATOM 573 CG TYR A 38 32.319 -14.506 6.167 1.00 1.00 C ATOM 574 CD1 TYR A 38 32.477 -15.882 5.949 1.00 1.00 C ATOM 575 CD2 TYR A 38 31.683 -14.056 7.337 1.00 1.00 C ATOM 576 CE1 TYR A 38 32.002 -16.803 6.896 1.00 1.00 C ATOM 577 CE2 TYR A 38 31.210 -14.976 8.281 1.00 1.00 C ATOM 578 CZ TYR A 38 31.369 -16.350 8.062 1.00 1.00 C ATOM 579 OH TYR A 38 30.901 -17.257 8.994 1.00 1.00 O ATOM 0 H TYR A 38 34.600 -15.051 3.490 1.00 1.00 H new ATOM 0 HA TYR A 38 34.786 -12.533 5.046 1.00 1.00 H new ATOM 0 HB2 TYR A 38 32.535 -12.492 5.446 1.00 1.00 H new ATOM 0 HB3 TYR A 38 32.356 -13.688 4.178 1.00 1.00 H new ATOM 0 HD1 TYR A 38 32.965 -16.234 5.052 1.00 1.00 H new ATOM 0 HD2 TYR A 38 31.559 -12.997 7.509 1.00 1.00 H new ATOM 0 HE1 TYR A 38 32.124 -17.862 6.726 1.00 1.00 H new ATOM 0 HE2 TYR A 38 30.722 -14.626 9.179 1.00 1.00 H new ATOM 0 HH TYR A 38 30.490 -16.775 9.742 1.00 1.00 H new ATOM 589 N GLU A 39 36.036 -15.218 5.795 1.00 1.00 N ATOM 590 CA GLU A 39 36.701 -16.009 6.849 1.00 1.00 C ATOM 591 C GLU A 39 38.200 -15.677 6.977 1.00 1.00 C ATOM 592 O GLU A 39 39.002 -16.578 7.230 1.00 1.00 O ATOM 593 CB GLU A 39 36.555 -17.507 6.554 1.00 1.00 C ATOM 594 CG GLU A 39 37.076 -17.845 5.139 1.00 1.00 C ATOM 595 CD GLU A 39 38.548 -18.261 5.168 1.00 1.00 C ATOM 596 OE1 GLU A 39 39.396 -17.387 5.085 1.00 1.00 O ATOM 597 OE2 GLU A 39 38.802 -19.451 5.248 1.00 1.00 O ATOM 0 H GLU A 39 36.390 -15.378 4.852 1.00 1.00 H new ATOM 0 HA GLU A 39 36.213 -15.752 7.789 1.00 1.00 H new ATOM 0 HB2 GLU A 39 37.107 -18.083 7.296 1.00 1.00 H new ATOM 0 HB3 GLU A 39 35.508 -17.798 6.639 1.00 1.00 H new ATOM 0 HG2 GLU A 39 36.478 -18.650 4.713 1.00 1.00 H new ATOM 0 HG3 GLU A 39 36.954 -16.979 4.489 1.00 1.00 H new ATOM 604 N PRO A 40 38.609 -14.430 6.816 1.00 1.00 N ATOM 605 CA PRO A 40 40.057 -14.046 6.920 1.00 1.00 C ATOM 606 C PRO A 40 40.549 -14.060 8.362 1.00 1.00 C ATOM 607 O PRO A 40 41.746 -13.977 8.637 1.00 1.00 O ATOM 608 CB PRO A 40 40.091 -12.636 6.322 1.00 1.00 C ATOM 609 CG PRO A 40 38.743 -12.072 6.632 1.00 1.00 C ATOM 610 CD PRO A 40 37.765 -13.249 6.535 1.00 1.00 C ATOM 0 HA PRO A 40 40.716 -14.743 6.402 1.00 1.00 H new ATOM 0 HB2 PRO A 40 40.885 -12.035 6.765 1.00 1.00 H new ATOM 0 HB3 PRO A 40 40.273 -12.664 5.248 1.00 1.00 H new ATOM 0 HG2 PRO A 40 38.724 -11.629 7.628 1.00 1.00 H new ATOM 0 HG3 PRO A 40 38.477 -11.284 5.927 1.00 1.00 H new ATOM 0 HD2 PRO A 40 36.954 -13.156 7.257 1.00 1.00 H new ATOM 0 HD3 PRO A 40 37.308 -13.309 5.547 1.00 1.00 H new ATOM 618 N ILE A 41 39.597 -14.171 9.261 1.00 1.00 N ATOM 619 CA ILE A 41 39.865 -14.207 10.692 1.00 1.00 C ATOM 620 C ILE A 41 40.786 -15.364 11.027 1.00 1.00 C ATOM 621 O ILE A 41 41.411 -15.398 12.086 1.00 1.00 O ATOM 622 CB ILE A 41 38.533 -14.334 11.445 1.00 1.00 C ATOM 623 CG1 ILE A 41 37.650 -13.110 11.121 1.00 1.00 C ATOM 624 CG2 ILE A 41 38.799 -14.403 12.952 1.00 1.00 C ATOM 625 CD1 ILE A 41 36.172 -13.435 11.374 1.00 1.00 C ATOM 0 H ILE A 41 38.607 -14.240 9.024 1.00 1.00 H new ATOM 0 HA ILE A 41 40.363 -13.286 10.996 1.00 1.00 H new ATOM 0 HB ILE A 41 38.019 -15.244 11.135 1.00 1.00 H new ATOM 0 HG12 ILE A 41 37.953 -12.262 11.735 1.00 1.00 H new ATOM 0 HG13 ILE A 41 37.792 -12.817 10.081 1.00 1.00 H new ATOM 0 HG21 ILE A 41 37.852 -14.493 13.485 1.00 1.00 H new ATOM 0 HG22 ILE A 41 39.423 -15.269 13.172 1.00 1.00 H new ATOM 0 HG23 ILE A 41 39.311 -13.496 13.273 1.00 1.00 H new ATOM 0 HD11 ILE A 41 35.562 -12.562 11.141 1.00 1.00 H new ATOM 0 HD12 ILE A 41 35.869 -14.269 10.740 1.00 1.00 H new ATOM 0 HD13 ILE A 41 36.033 -13.706 12.421 1.00 1.00 H new ATOM 637 N ARG A 42 40.866 -16.302 10.103 1.00 1.00 N ATOM 638 CA ARG A 42 41.722 -17.471 10.280 1.00 1.00 C ATOM 639 C ARG A 42 43.190 -17.066 10.198 1.00 1.00 C ATOM 640 O ARG A 42 43.754 -16.966 9.109 1.00 1.00 O ATOM 641 CB ARG A 42 41.430 -18.520 9.201 1.00 1.00 C ATOM 642 CG ARG A 42 40.003 -19.041 9.366 1.00 1.00 C ATOM 643 CD ARG A 42 39.714 -20.076 8.279 1.00 1.00 C ATOM 644 NE ARG A 42 38.338 -20.549 8.380 1.00 1.00 N ATOM 645 CZ ARG A 42 37.853 -21.433 7.512 1.00 1.00 C ATOM 646 NH1 ARG A 42 38.614 -21.891 6.556 1.00 1.00 N ATOM 647 NH2 ARG A 42 36.616 -21.842 7.613 1.00 1.00 N ATOM 0 H ARG A 42 40.352 -16.282 9.222 1.00 1.00 H new ATOM 0 HA ARG A 42 41.515 -17.898 11.261 1.00 1.00 H new ATOM 0 HB2 ARG A 42 41.556 -18.083 8.211 1.00 1.00 H new ATOM 0 HB3 ARG A 42 42.140 -19.344 9.278 1.00 1.00 H new ATOM 0 HG2 ARG A 42 39.879 -19.488 10.352 1.00 1.00 H new ATOM 0 HG3 ARG A 42 39.293 -18.217 9.298 1.00 1.00 H new ATOM 0 HD2 ARG A 42 39.883 -19.637 7.296 1.00 1.00 H new ATOM 0 HD3 ARG A 42 40.402 -20.916 8.376 1.00 1.00 H new ATOM 0 HE ARG A 42 37.739 -20.197 9.127 1.00 1.00 H new ATOM 0 HH11 ARG A 42 39.579 -21.571 6.475 1.00 1.00 H new ATOM 0 HH12 ARG A 42 38.244 -22.569 5.890 1.00 1.00 H new ATOM 0 HH21 ARG A 42 36.020 -21.483 8.359 1.00 1.00 H new ATOM 0 HH22 ARG A 42 36.247 -22.520 6.946 1.00 1.00 H new ATOM 661 N LYS A 43 43.804 -16.836 11.355 1.00 1.00 N ATOM 662 CA LYS A 43 45.215 -16.442 11.400 1.00 1.00 C ATOM 663 C LYS A 43 45.852 -16.926 12.714 1.00 1.00 C ATOM 664 O LYS A 43 45.535 -16.410 13.785 1.00 1.00 O ATOM 665 CB LYS A 43 45.317 -14.901 11.289 1.00 1.00 C ATOM 666 CG LYS A 43 46.433 -14.500 10.308 1.00 1.00 C ATOM 667 CD LYS A 43 46.641 -12.982 10.341 1.00 1.00 C ATOM 668 CE LYS A 43 45.423 -12.264 9.751 1.00 1.00 C ATOM 669 NZ LYS A 43 45.792 -10.857 9.427 1.00 1.00 N ATOM 0 H LYS A 43 43.355 -16.914 12.268 1.00 1.00 H new ATOM 0 HA LYS A 43 45.750 -16.898 10.567 1.00 1.00 H new ATOM 0 HB2 LYS A 43 44.365 -14.492 10.952 1.00 1.00 H new ATOM 0 HB3 LYS A 43 45.518 -14.473 12.271 1.00 1.00 H new ATOM 0 HG2 LYS A 43 47.360 -15.008 10.572 1.00 1.00 H new ATOM 0 HG3 LYS A 43 46.172 -14.818 9.298 1.00 1.00 H new ATOM 0 HD2 LYS A 43 46.803 -12.653 11.367 1.00 1.00 H new ATOM 0 HD3 LYS A 43 47.535 -12.719 9.776 1.00 1.00 H new ATOM 0 HE2 LYS A 43 45.082 -12.779 8.853 1.00 1.00 H new ATOM 0 HE3 LYS A 43 44.596 -12.281 10.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 44.968 -10.366 9.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 46.098 -10.370 10.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 46.568 -10.852 8.735 1.00 1.00 H new ATOM 683 N GLY A 44 46.743 -17.916 12.631 1.00 1.00 N ATOM 684 CA GLY A 44 47.393 -18.442 13.838 1.00 1.00 C ATOM 685 C GLY A 44 48.189 -17.359 14.563 1.00 1.00 C ATOM 686 O GLY A 44 48.144 -17.261 15.789 1.00 1.00 O ATOM 0 H GLY A 44 47.028 -18.364 11.760 1.00 1.00 H new ATOM 0 HA2 GLY A 44 46.638 -18.851 14.510 1.00 1.00 H new ATOM 0 HA3 GLY A 44 48.057 -19.263 13.567 1.00 1.00 H new ATOM 690 N GLN A 45 48.920 -16.550 13.802 1.00 1.00 N ATOM 691 CA GLN A 45 49.724 -15.476 14.397 1.00 1.00 C ATOM 692 C GLN A 45 50.468 -15.972 15.629 1.00 1.00 C ATOM 693 O GLN A 45 50.026 -15.772 16.760 1.00 1.00 O ATOM 694 CB GLN A 45 48.823 -14.301 14.781 1.00 1.00 C ATOM 695 CG GLN A 45 48.356 -13.590 13.512 1.00 1.00 C ATOM 696 CD GLN A 45 47.427 -12.435 13.870 1.00 1.00 C ATOM 697 OE1 GLN A 45 47.488 -11.374 13.248 1.00 1.00 O ATOM 698 NE2 GLN A 45 46.565 -12.578 14.839 1.00 1.00 N ATOM 0 H GLN A 45 48.976 -16.612 12.785 1.00 1.00 H new ATOM 0 HA GLN A 45 50.455 -15.149 13.658 1.00 1.00 H new ATOM 0 HB2 GLN A 45 47.964 -14.657 15.350 1.00 1.00 H new ATOM 0 HB3 GLN A 45 49.365 -13.606 15.423 1.00 1.00 H new ATOM 0 HG2 GLN A 45 49.217 -13.216 12.958 1.00 1.00 H new ATOM 0 HG3 GLN A 45 47.839 -14.294 12.861 1.00 1.00 H new ATOM 0 HE21 GLN A 45 46.516 -13.458 15.353 1.00 1.00 H new ATOM 0 HE22 GLN A 45 45.940 -11.810 15.083 1.00 1.00 H new ATOM 707 N ARG A 46 51.603 -16.613 15.392 1.00 1.00 N ATOM 708 CA ARG A 46 52.419 -17.137 16.477 1.00 1.00 C ATOM 709 C ARG A 46 53.727 -17.700 15.935 1.00 1.00 C ATOM 710 O ARG A 46 54.657 -17.975 16.694 1.00 1.00 O ATOM 711 CB ARG A 46 51.654 -18.230 17.227 1.00 1.00 C ATOM 712 CG ARG A 46 51.240 -19.332 16.249 1.00 1.00 C ATOM 713 CD ARG A 46 50.422 -20.388 16.994 1.00 1.00 C ATOM 714 NE ARG A 46 50.027 -21.459 16.087 1.00 1.00 N ATOM 715 CZ ARG A 46 49.049 -22.301 16.404 1.00 1.00 C ATOM 716 NH1 ARG A 46 48.412 -22.167 17.535 1.00 1.00 N ATOM 717 NH2 ARG A 46 48.720 -23.259 15.581 1.00 1.00 N ATOM 0 H ARG A 46 51.979 -16.783 14.459 1.00 1.00 H new ATOM 0 HA ARG A 46 52.646 -16.323 17.165 1.00 1.00 H new ATOM 0 HB2 ARG A 46 52.278 -18.647 18.017 1.00 1.00 H new ATOM 0 HB3 ARG A 46 50.772 -17.806 17.707 1.00 1.00 H new ATOM 0 HG2 ARG A 46 50.653 -18.909 15.434 1.00 1.00 H new ATOM 0 HG3 ARG A 46 52.123 -19.788 15.802 1.00 1.00 H new ATOM 0 HD2 ARG A 46 51.008 -20.797 17.817 1.00 1.00 H new ATOM 0 HD3 ARG A 46 49.536 -19.928 17.432 1.00 1.00 H new ATOM 0 HE ARG A 46 50.509 -21.564 15.194 1.00 1.00 H new ATOM 0 HH11 ARG A 46 48.665 -21.415 18.177 1.00 1.00 H new ATOM 0 HH12 ARG A 46 47.661 -22.814 17.777 1.00 1.00 H new ATOM 0 HH21 ARG A 46 49.214 -23.362 14.694 1.00 1.00 H new ATOM 0 HH22 ARG A 46 47.969 -23.905 15.825 1.00 1.00 H new ATOM 731 N ASP A 47 53.794 -17.870 14.614 1.00 1.00 N ATOM 732 CA ASP A 47 55.001 -18.407 13.978 1.00 1.00 C ATOM 733 C ASP A 47 55.956 -17.289 13.583 1.00 1.00 C ATOM 734 O ASP A 47 57.128 -17.538 13.298 1.00 1.00 O ATOM 735 CB ASP A 47 54.641 -19.232 12.735 1.00 1.00 C ATOM 736 CG ASP A 47 53.881 -20.488 13.147 1.00 1.00 C ATOM 737 OD1 ASP A 47 53.817 -20.755 14.337 1.00 1.00 O ATOM 738 OD2 ASP A 47 53.375 -21.167 12.268 1.00 1.00 O ATOM 0 H ASP A 47 53.037 -17.647 13.968 1.00 1.00 H new ATOM 0 HA ASP A 47 55.494 -19.052 14.706 1.00 1.00 H new ATOM 0 HB2 ASP A 47 54.033 -18.635 12.055 1.00 1.00 H new ATOM 0 HB3 ASP A 47 55.547 -19.506 12.195 1.00 1.00 H new ATOM 743 N LEU A 48 55.462 -16.058 13.575 1.00 1.00 N ATOM 744 CA LEU A 48 56.303 -14.923 13.221 1.00 1.00 C ATOM 745 C LEU A 48 57.366 -14.701 14.303 1.00 1.00 C ATOM 746 O LEU A 48 58.464 -14.226 14.014 1.00 1.00 O ATOM 747 CB LEU A 48 55.447 -13.656 13.023 1.00 1.00 C ATOM 748 CG LEU A 48 54.844 -13.634 11.599 1.00 1.00 C ATOM 749 CD1 LEU A 48 55.934 -13.350 10.545 1.00 1.00 C ATOM 750 CD2 LEU A 48 54.177 -14.986 11.296 1.00 1.00 C ATOM 0 H LEU A 48 54.497 -15.822 13.806 1.00 1.00 H new ATOM 0 HA LEU A 48 56.807 -15.138 12.279 1.00 1.00 H new ATOM 0 HB2 LEU A 48 54.648 -13.629 13.764 1.00 1.00 H new ATOM 0 HB3 LEU A 48 56.058 -12.767 13.180 1.00 1.00 H new ATOM 0 HG LEU A 48 54.101 -12.838 11.554 1.00 1.00 H new ATOM 0 HD11 LEU A 48 55.486 -13.340 9.552 1.00 1.00 H new ATOM 0 HD12 LEU A 48 56.392 -12.382 10.747 1.00 1.00 H new ATOM 0 HD13 LEU A 48 56.696 -14.128 10.591 1.00 1.00 H new ATOM 0 HD21 LEU A 48 53.754 -14.966 10.292 1.00 1.00 H new ATOM 0 HD22 LEU A 48 54.920 -15.781 11.361 1.00 1.00 H new ATOM 0 HD23 LEU A 48 53.384 -15.171 12.021 1.00 1.00 H new ATOM 762 N TYR A 49 57.024 -15.035 15.550 1.00 1.00 N ATOM 763 CA TYR A 49 57.957 -14.850 16.668 1.00 1.00 C ATOM 764 C TYR A 49 59.193 -15.743 16.555 1.00 1.00 C ATOM 765 O TYR A 49 60.279 -15.345 16.975 1.00 1.00 O ATOM 766 CB TYR A 49 57.269 -15.094 18.019 1.00 1.00 C ATOM 767 CG TYR A 49 56.286 -13.978 18.288 1.00 1.00 C ATOM 768 CD1 TYR A 49 56.758 -12.708 18.636 1.00 1.00 C ATOM 769 CD2 TYR A 49 54.908 -14.209 18.184 1.00 1.00 C ATOM 770 CE1 TYR A 49 55.859 -11.668 18.883 1.00 1.00 C ATOM 771 CE2 TYR A 49 54.006 -13.166 18.432 1.00 1.00 C ATOM 772 CZ TYR A 49 54.482 -11.895 18.780 1.00 1.00 C ATOM 773 OH TYR A 49 53.592 -10.869 19.026 1.00 1.00 O ATOM 0 H TYR A 49 56.120 -15.430 15.811 1.00 1.00 H new ATOM 0 HA TYR A 49 58.286 -13.812 16.615 1.00 1.00 H new ATOM 0 HB2 TYR A 49 56.753 -16.054 18.009 1.00 1.00 H new ATOM 0 HB3 TYR A 49 58.012 -15.140 18.815 1.00 1.00 H new ATOM 0 HD1 TYR A 49 57.821 -12.531 18.714 1.00 1.00 H new ATOM 0 HD2 TYR A 49 54.542 -15.188 17.913 1.00 1.00 H new ATOM 0 HE1 TYR A 49 56.226 -10.689 19.153 1.00 1.00 H new ATOM 0 HE2 TYR A 49 52.943 -13.342 18.355 1.00 1.00 H new ATOM 0 HH TYR A 49 52.676 -11.196 18.909 1.00 1.00 H new ATOM 783 N SER A 50 59.032 -16.946 16.001 1.00 1.00 N ATOM 784 CA SER A 50 60.162 -17.877 15.844 1.00 1.00 C ATOM 785 C SER A 50 60.484 -18.063 14.368 1.00 1.00 C ATOM 786 O SER A 50 61.567 -18.526 14.008 1.00 1.00 O ATOM 787 CB SER A 50 59.815 -19.231 16.464 1.00 1.00 C ATOM 788 OG SER A 50 58.751 -19.825 15.729 1.00 1.00 O ATOM 0 H SER A 50 58.140 -17.301 15.655 1.00 1.00 H new ATOM 0 HA SER A 50 61.031 -17.460 16.352 1.00 1.00 H new ATOM 0 HB2 SER A 50 60.688 -19.883 16.454 1.00 1.00 H new ATOM 0 HB3 SER A 50 59.525 -19.103 17.507 1.00 1.00 H new ATOM 0 HG SER A 50 58.527 -20.694 16.122 1.00 1.00 H new ATOM 794 N GLY A 51 59.532 -17.696 13.524 1.00 1.00 N ATOM 795 CA GLY A 51 59.707 -17.818 12.072 1.00 1.00 C ATOM 796 C GLY A 51 60.439 -16.606 11.495 1.00 1.00 C ATOM 797 O GLY A 51 60.658 -16.526 10.286 1.00 1.00 O ATOM 0 H GLY A 51 58.632 -17.312 13.811 1.00 1.00 H new ATOM 0 HA2 GLY A 51 60.268 -18.725 11.846 1.00 1.00 H new ATOM 0 HA3 GLY A 51 58.733 -17.918 11.594 1.00 1.00 H new ATOM 801 N LEU A 52 60.815 -15.665 12.359 1.00 1.00 N ATOM 802 CA LEU A 52 61.519 -14.466 11.907 1.00 1.00 C ATOM 803 C LEU A 52 62.869 -14.835 11.302 1.00 1.00 C ATOM 804 O LEU A 52 63.342 -14.185 10.368 1.00 1.00 O ATOM 805 CB LEU A 52 61.705 -13.465 13.062 1.00 1.00 C ATOM 806 CG LEU A 52 62.684 -14.002 14.120 1.00 1.00 C ATOM 807 CD1 LEU A 52 62.864 -12.940 15.211 1.00 1.00 C ATOM 808 CD2 LEU A 52 62.126 -15.287 14.750 1.00 1.00 C ATOM 0 H LEU A 52 60.647 -15.708 13.364 1.00 1.00 H new ATOM 0 HA LEU A 52 60.911 -13.988 11.139 1.00 1.00 H new ATOM 0 HB2 LEU A 52 62.076 -12.518 12.669 1.00 1.00 H new ATOM 0 HB3 LEU A 52 60.741 -13.261 13.527 1.00 1.00 H new ATOM 0 HG LEU A 52 63.641 -14.225 13.649 1.00 1.00 H new ATOM 0 HD11 LEU A 52 63.556 -13.309 15.968 1.00 1.00 H new ATOM 0 HD12 LEU A 52 63.263 -12.027 14.768 1.00 1.00 H new ATOM 0 HD13 LEU A 52 61.900 -12.727 15.674 1.00 1.00 H new ATOM 0 HD21 LEU A 52 62.826 -15.659 15.498 1.00 1.00 H new ATOM 0 HD22 LEU A 52 61.168 -15.073 15.224 1.00 1.00 H new ATOM 0 HD23 LEU A 52 61.987 -16.041 13.976 1.00 1.00 H new ATOM 820 N ASN A 53 63.478 -15.886 11.836 1.00 1.00 N ATOM 821 CA ASN A 53 64.777 -16.353 11.343 1.00 1.00 C ATOM 822 C ASN A 53 64.583 -17.433 10.284 1.00 1.00 C ATOM 823 O ASN A 53 65.153 -18.519 10.383 1.00 1.00 O ATOM 824 CB ASN A 53 65.614 -16.915 12.495 1.00 1.00 C ATOM 825 CG ASN A 53 64.905 -18.111 13.115 1.00 1.00 C ATOM 826 OD1 ASN A 53 65.501 -18.851 13.897 1.00 1.00 O ATOM 827 ND2 ASN A 53 63.660 -18.347 12.808 1.00 1.00 N ATOM 0 H ASN A 53 63.098 -16.433 12.609 1.00 1.00 H new ATOM 0 HA ASN A 53 65.300 -15.505 10.901 1.00 1.00 H new ATOM 0 HB2 ASN A 53 66.597 -17.213 12.130 1.00 1.00 H new ATOM 0 HB3 ASN A 53 65.774 -16.145 13.249 1.00 1.00 H new ATOM 0 HD21 ASN A 53 63.177 -19.147 13.216 1.00 1.00 H new ATOM 0 HD22 ASN A 53 63.169 -17.731 12.159 1.00 1.00 H new ATOM 834 N GLN A 54 63.779 -17.127 9.269 1.00 1.00 N ATOM 835 CA GLN A 54 63.526 -18.088 8.196 1.00 1.00 C ATOM 836 C GLN A 54 64.775 -18.269 7.340 1.00 1.00 C ATOM 837 O GLN A 54 64.712 -18.878 6.272 1.00 1.00 O ATOM 838 CB GLN A 54 62.369 -17.615 7.302 1.00 1.00 C ATOM 839 CG GLN A 54 62.514 -16.112 6.998 1.00 1.00 C ATOM 840 CD GLN A 54 61.838 -15.773 5.670 1.00 1.00 C ATOM 841 OE1 GLN A 54 60.636 -15.979 5.512 1.00 1.00 O ATOM 842 NE2 GLN A 54 62.550 -15.267 4.698 1.00 1.00 N ATOM 0 H GLN A 54 63.297 -16.234 9.166 1.00 1.00 H new ATOM 0 HA GLN A 54 63.257 -19.039 8.656 1.00 1.00 H new ATOM 0 HB2 GLN A 54 62.363 -18.183 6.372 1.00 1.00 H new ATOM 0 HB3 GLN A 54 61.416 -17.803 7.797 1.00 1.00 H new ATOM 0 HG2 GLN A 54 62.067 -15.527 7.801 1.00 1.00 H new ATOM 0 HG3 GLN A 54 63.569 -15.842 6.956 1.00 1.00 H new ATOM 0 HE21 GLN A 54 63.547 -15.097 4.831 1.00 1.00 H new ATOM 0 HE22 GLN A 54 62.109 -15.042 3.806 1.00 1.00 H new ATOM 851 N ARG A 55 65.894 -17.724 7.818 1.00 1.00 N ATOM 852 CA ARG A 55 67.182 -17.805 7.108 1.00 1.00 C ATOM 853 C ARG A 55 67.349 -16.604 6.187 1.00 1.00 C ATOM 854 O ARG A 55 66.475 -16.306 5.372 1.00 1.00 O ATOM 855 CB ARG A 55 67.280 -19.094 6.274 1.00 1.00 C ATOM 856 CG ARG A 55 68.748 -19.488 6.071 1.00 1.00 C ATOM 857 CD ARG A 55 68.834 -20.574 4.996 1.00 1.00 C ATOM 858 NE ARG A 55 67.973 -21.701 5.343 1.00 1.00 N ATOM 859 CZ ARG A 55 67.552 -22.555 4.414 1.00 1.00 C ATOM 860 NH1 ARG A 55 67.917 -22.398 3.171 1.00 1.00 N ATOM 861 NH2 ARG A 55 66.774 -23.549 4.744 1.00 1.00 N ATOM 0 H ARG A 55 65.939 -17.216 8.701 1.00 1.00 H new ATOM 0 HA ARG A 55 67.973 -17.812 7.858 1.00 1.00 H new ATOM 0 HB2 ARG A 55 66.746 -19.901 6.776 1.00 1.00 H new ATOM 0 HB3 ARG A 55 66.799 -18.947 5.307 1.00 1.00 H new ATOM 0 HG2 ARG A 55 69.333 -18.618 5.773 1.00 1.00 H new ATOM 0 HG3 ARG A 55 69.172 -19.852 7.007 1.00 1.00 H new ATOM 0 HD2 ARG A 55 68.536 -20.164 4.031 1.00 1.00 H new ATOM 0 HD3 ARG A 55 69.865 -20.913 4.894 1.00 1.00 H new ATOM 0 HE ARG A 55 67.690 -21.836 6.314 1.00 1.00 H new ATOM 0 HH11 ARG A 55 68.525 -21.621 2.912 1.00 1.00 H new ATOM 0 HH12 ARG A 55 67.595 -23.053 2.458 1.00 1.00 H new ATOM 0 HH21 ARG A 55 66.488 -23.672 5.715 1.00 1.00 H new ATOM 0 HH22 ARG A 55 66.452 -24.203 4.031 1.00 1.00 H new ATOM 875 N ALA A 56 68.475 -15.927 6.315 1.00 1.00 N ATOM 876 CA ALA A 56 68.746 -14.761 5.474 1.00 1.00 C ATOM 877 C ALA A 56 67.601 -13.763 5.573 1.00 1.00 C ATOM 878 O ALA A 56 66.887 -13.514 4.601 1.00 1.00 O ATOM 879 CB ALA A 56 68.912 -15.197 4.019 1.00 1.00 C ATOM 0 H ALA A 56 69.212 -16.155 6.982 1.00 1.00 H new ATOM 0 HA ALA A 56 69.665 -14.288 5.820 1.00 1.00 H new ATOM 0 HB1 ALA A 56 69.114 -14.324 3.398 1.00 1.00 H new ATOM 0 HB2 ALA A 56 69.744 -15.897 3.942 1.00 1.00 H new ATOM 0 HB3 ALA A 56 67.997 -15.681 3.678 1.00 1.00 H new ATOM 885 N VAL A 57 67.437 -13.199 6.757 1.00 1.00 N ATOM 886 CA VAL A 57 66.376 -12.222 6.994 1.00 1.00 C ATOM 887 C VAL A 57 66.748 -10.872 6.388 1.00 1.00 C ATOM 888 O VAL A 57 65.858 -10.053 6.224 1.00 1.00 O ATOM 889 CB VAL A 57 66.130 -12.062 8.499 1.00 1.00 C ATOM 890 CG1 VAL A 57 67.442 -11.694 9.194 1.00 1.00 C ATOM 891 CG2 VAL A 57 65.103 -10.951 8.736 1.00 1.00 C ATOM 892 OXT VAL A 57 67.916 -10.676 6.097 1.00 1.00 O ATOM 0 H VAL A 57 68.020 -13.397 7.570 1.00 1.00 H new ATOM 0 HA VAL A 57 65.464 -12.583 6.518 1.00 1.00 H new ATOM 0 HB VAL A 57 65.752 -13.000 8.905 1.00 1.00 H new ATOM 0 HG11 VAL A 57 67.268 -11.580 10.264 1.00 1.00 H new ATOM 0 HG12 VAL A 57 68.175 -12.483 9.028 1.00 1.00 H new ATOM 0 HG13 VAL A 57 67.819 -10.756 8.786 1.00 1.00 H new ATOM 0 HG21 VAL A 57 64.929 -10.838 9.806 1.00 1.00 H new ATOM 0 HG22 VAL A 57 65.481 -10.013 8.329 1.00 1.00 H new ATOM 0 HG23 VAL A 57 64.167 -11.210 8.242 1.00 1.00 H new TER 902 VAL A 57