USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 8 CYS SG : rot 43:sc= 1.15 USER MOD Set 1.2: A 56 THR OG1 : rot 74:sc= 1.43 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.042 (180deg=-0.0595) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.213 (180deg=-0.449) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.821 K(o=-0.82,f=-4.8!) USER MOD Single : A 20 ASN : amide:sc= -3.44! C(o=-3.4!,f=-2.2!) USER MOD Single : A 25 MET CE :methyl -100:sc= -0.183 (180deg=-1.85!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.81) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= -0.195 (180deg=-1.49!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= -0.149 USER MOD Single : A 55 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00173) USER MOD Single : A 69 ASN : amide:sc= -0.376 K(o=-0.38,f=-0.94) USER MOD Single : A 72 ASN : amide:sc= -0.142 K(o=-0.14,f=-2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= -1.06 (180deg=-2.27!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 85 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 88 THR OG1 : rot -2:sc= -0.0524 USER MOD Single : A 91 GLN : amide:sc= -1.8 K(o=-1.8,f=-2.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.708 1.125 0.182 1.00 43.12 N ATOM 2 CA MET A 1 1.960 0.703 -1.191 1.00 41.43 C ATOM 3 C MET A 1 2.949 -0.458 -1.231 1.00 15.22 C ATOM 4 O MET A 1 3.832 -0.564 -0.380 1.00 43.42 O ATOM 5 CB MET A 1 2.497 1.874 -2.017 1.00 5.24 C ATOM 6 CG MET A 1 3.940 2.231 -1.697 1.00 40.41 C ATOM 7 SD MET A 1 4.303 3.974 -1.981 1.00 43.44 S ATOM 8 CE MET A 1 5.596 4.252 -0.773 1.00 51.30 C ATOM 0 H1 MET A 1 1.705 2.164 0.231 1.00 43.12 H new ATOM 0 H2 MET A 1 0.785 0.761 0.493 1.00 43.12 H new ATOM 0 H3 MET A 1 2.454 0.751 0.803 1.00 43.12 H new ATOM 0 HA MET A 1 1.016 0.368 -1.620 1.00 41.43 H new ATOM 0 HB2 MET A 1 2.418 1.628 -3.076 1.00 5.24 H new ATOM 0 HB3 MET A 1 1.868 2.748 -1.845 1.00 5.24 H new ATOM 0 HG2 MET A 1 4.149 1.985 -0.656 1.00 40.41 H new ATOM 0 HG3 MET A 1 4.605 1.621 -2.308 1.00 40.41 H new ATOM 0 HE1 MET A 1 5.926 5.289 -0.826 1.00 51.30 H new ATOM 0 HE2 MET A 1 5.212 4.044 0.226 1.00 51.30 H new ATOM 0 HE3 MET A 1 6.438 3.592 -0.983 1.00 51.30 H new ATOM 18 N LYS A 2 2.793 -1.327 -2.223 1.00 64.44 N ATOM 19 CA LYS A 2 3.672 -2.481 -2.375 1.00 44.20 C ATOM 20 C LYS A 2 4.729 -2.223 -3.445 1.00 12.14 C ATOM 21 O LYS A 2 4.623 -1.270 -4.217 1.00 32.53 O ATOM 22 CB LYS A 2 2.858 -3.725 -2.737 1.00 53.42 C ATOM 23 CG LYS A 2 1.769 -4.053 -1.730 1.00 23.40 C ATOM 24 CD LYS A 2 2.349 -4.333 -0.354 1.00 23.53 C ATOM 25 CE LYS A 2 3.233 -5.571 -0.363 1.00 23.22 C ATOM 26 NZ LYS A 2 3.246 -6.253 0.961 1.00 63.20 N ATOM 0 H LYS A 2 2.066 -1.255 -2.935 1.00 64.44 H new ATOM 0 HA LYS A 2 4.177 -2.649 -1.424 1.00 44.20 H new ATOM 0 HB2 LYS A 2 2.403 -3.579 -3.717 1.00 53.42 H new ATOM 0 HB3 LYS A 2 3.532 -4.578 -2.822 1.00 53.42 H new ATOM 0 HG2 LYS A 2 1.067 -3.221 -1.668 1.00 23.40 H new ATOM 0 HG3 LYS A 2 1.205 -4.921 -2.072 1.00 23.40 H new ATOM 0 HD2 LYS A 2 2.929 -3.473 -0.021 1.00 23.53 H new ATOM 0 HD3 LYS A 2 1.539 -4.468 0.363 1.00 23.53 H new ATOM 0 HE2 LYS A 2 2.879 -6.265 -1.125 1.00 23.22 H new ATOM 0 HE3 LYS A 2 4.250 -5.289 -0.636 1.00 23.22 H new ATOM 0 HZ1 LYS A 2 3.640 -7.210 0.855 1.00 63.20 H new ATOM 0 HZ2 LYS A 2 3.832 -5.709 1.626 1.00 63.20 H new ATOM 0 HZ3 LYS A 2 2.275 -6.317 1.328 1.00 63.20 H new ATOM 40 N GLN A 3 5.745 -3.078 -3.484 1.00 64.23 N ATOM 41 CA GLN A 3 6.820 -2.942 -4.460 1.00 70.14 C ATOM 42 C GLN A 3 7.284 -4.309 -4.954 1.00 14.33 C ATOM 43 O GLN A 3 7.924 -5.061 -4.219 1.00 44.23 O ATOM 44 CB GLN A 3 7.998 -2.180 -3.851 1.00 31.24 C ATOM 45 CG GLN A 3 8.987 -1.663 -4.882 1.00 44.22 C ATOM 46 CD GLN A 3 9.767 -0.459 -4.391 1.00 31.13 C ATOM 47 OE1 GLN A 3 9.212 0.627 -4.220 1.00 20.21 O ATOM 48 NE2 GLN A 3 11.061 -0.646 -4.160 1.00 43.51 N ATOM 0 H GLN A 3 5.847 -3.872 -2.852 1.00 64.23 H new ATOM 0 HA GLN A 3 6.434 -2.380 -5.311 1.00 70.14 H new ATOM 0 HB2 GLN A 3 7.616 -1.339 -3.273 1.00 31.24 H new ATOM 0 HB3 GLN A 3 8.522 -2.834 -3.154 1.00 31.24 H new ATOM 0 HG2 GLN A 3 9.683 -2.460 -5.144 1.00 44.22 H new ATOM 0 HG3 GLN A 3 8.451 -1.397 -5.793 1.00 44.22 H new ATOM 0 HE21 GLN A 3 11.479 -1.563 -4.315 1.00 43.51 H new ATOM 0 HE22 GLN A 3 11.637 0.127 -3.827 1.00 43.51 H new ATOM 57 N VAL A 4 6.955 -4.624 -6.203 1.00 22.35 N ATOM 58 CA VAL A 4 7.339 -5.900 -6.795 1.00 34.44 C ATOM 59 C VAL A 4 8.325 -5.701 -7.940 1.00 13.41 C ATOM 60 O VAL A 4 7.940 -5.317 -9.045 1.00 50.33 O ATOM 61 CB VAL A 4 6.110 -6.668 -7.318 1.00 30.14 C ATOM 62 CG1 VAL A 4 6.533 -7.982 -7.956 1.00 23.31 C ATOM 63 CG2 VAL A 4 5.114 -6.909 -6.193 1.00 41.50 C ATOM 0 H VAL A 4 6.424 -4.013 -6.824 1.00 22.35 H new ATOM 0 HA VAL A 4 7.815 -6.484 -6.007 1.00 34.44 H new ATOM 0 HB VAL A 4 5.622 -6.061 -8.081 1.00 30.14 H new ATOM 0 HG11 VAL A 4 5.652 -8.510 -8.319 1.00 23.31 H new ATOM 0 HG12 VAL A 4 7.206 -7.782 -8.790 1.00 23.31 H new ATOM 0 HG13 VAL A 4 7.045 -8.597 -7.216 1.00 23.31 H new ATOM 0 HG21 VAL A 4 4.252 -7.453 -6.580 1.00 41.50 H new ATOM 0 HG22 VAL A 4 5.589 -7.495 -5.406 1.00 41.50 H new ATOM 0 HG23 VAL A 4 4.787 -5.952 -5.786 1.00 41.50 H new ATOM 73 N LEU A 5 9.598 -5.964 -7.669 1.00 43.22 N ATOM 74 CA LEU A 5 10.642 -5.814 -8.678 1.00 13.34 C ATOM 75 C LEU A 5 10.617 -6.977 -9.664 1.00 41.10 C ATOM 76 O LEU A 5 9.868 -7.938 -9.488 1.00 51.13 O ATOM 77 CB LEU A 5 12.015 -5.726 -8.010 1.00 1.53 C ATOM 78 CG LEU A 5 12.429 -4.342 -7.507 1.00 22.23 C ATOM 79 CD1 LEU A 5 11.420 -3.817 -6.498 1.00 55.31 C ATOM 80 CD2 LEU A 5 13.821 -4.392 -6.894 1.00 22.30 C ATOM 0 H LEU A 5 9.933 -6.282 -6.760 1.00 43.22 H new ATOM 0 HA LEU A 5 10.452 -4.892 -9.227 1.00 13.34 H new ATOM 0 HB2 LEU A 5 12.032 -6.417 -7.167 1.00 1.53 H new ATOM 0 HB3 LEU A 5 12.766 -6.072 -8.721 1.00 1.53 H new ATOM 0 HG LEU A 5 12.452 -3.660 -8.357 1.00 22.23 H new ATOM 0 HD11 LEU A 5 11.731 -2.832 -6.151 1.00 55.31 H new ATOM 0 HD12 LEU A 5 10.440 -3.743 -6.969 1.00 55.31 H new ATOM 0 HD13 LEU A 5 11.365 -4.499 -5.650 1.00 55.31 H new ATOM 0 HD21 LEU A 5 14.099 -3.399 -6.542 1.00 22.30 H new ATOM 0 HD22 LEU A 5 13.825 -5.089 -6.056 1.00 22.30 H new ATOM 0 HD23 LEU A 5 14.538 -4.724 -7.645 1.00 22.30 H new ATOM 92 N VAL A 6 11.443 -6.884 -10.701 1.00 60.14 N ATOM 93 CA VAL A 6 11.519 -7.930 -11.714 1.00 53.04 C ATOM 94 C VAL A 6 12.913 -8.002 -12.327 1.00 52.21 C ATOM 95 O VAL A 6 13.319 -7.114 -13.077 1.00 31.43 O ATOM 96 CB VAL A 6 10.488 -7.701 -12.836 1.00 2.31 C ATOM 97 CG1 VAL A 6 10.609 -8.780 -13.901 1.00 12.00 C ATOM 98 CG2 VAL A 6 9.079 -7.660 -12.264 1.00 42.40 C ATOM 0 H VAL A 6 12.069 -6.095 -10.862 1.00 60.14 H new ATOM 0 HA VAL A 6 11.297 -8.872 -11.213 1.00 53.04 H new ATOM 0 HB VAL A 6 10.694 -6.738 -13.304 1.00 2.31 H new ATOM 0 HG11 VAL A 6 9.873 -8.602 -14.685 1.00 12.00 H new ATOM 0 HG12 VAL A 6 11.610 -8.756 -14.331 1.00 12.00 H new ATOM 0 HG13 VAL A 6 10.431 -9.757 -13.451 1.00 12.00 H new ATOM 0 HG21 VAL A 6 8.364 -7.498 -13.070 1.00 42.40 H new ATOM 0 HG22 VAL A 6 8.859 -8.606 -11.769 1.00 42.40 H new ATOM 0 HG23 VAL A 6 9.003 -6.847 -11.542 1.00 42.40 H new ATOM 108 N ALA A 7 13.641 -9.065 -12.003 1.00 65.01 N ATOM 109 CA ALA A 7 14.990 -9.254 -12.524 1.00 33.55 C ATOM 110 C ALA A 7 15.071 -10.502 -13.396 1.00 70.32 C ATOM 111 O ALA A 7 15.601 -11.532 -12.976 1.00 42.42 O ATOM 112 CB ALA A 7 15.990 -9.342 -11.380 1.00 15.11 C ATOM 0 H ALA A 7 13.320 -9.808 -11.383 1.00 65.01 H new ATOM 0 HA ALA A 7 15.238 -8.392 -13.144 1.00 33.55 H new ATOM 0 HB1 ALA A 7 16.993 -9.483 -11.783 1.00 15.11 H new ATOM 0 HB2 ALA A 7 15.959 -8.421 -10.798 1.00 15.11 H new ATOM 0 HB3 ALA A 7 15.735 -10.185 -10.738 1.00 15.11 H new ATOM 118 N CYS A 8 14.542 -10.404 -14.611 1.00 23.41 N ATOM 119 CA CYS A 8 14.554 -11.527 -15.543 1.00 12.35 C ATOM 120 C CYS A 8 15.962 -11.779 -16.072 1.00 33.52 C ATOM 121 O CYS A 8 16.355 -12.923 -16.298 1.00 71.01 O ATOM 122 CB CYS A 8 13.599 -11.260 -16.707 1.00 15.23 C ATOM 123 SG CYS A 8 13.683 -12.491 -18.028 1.00 70.10 S ATOM 0 H CYS A 8 14.100 -9.559 -14.974 1.00 23.41 H new ATOM 0 HA CYS A 8 14.222 -12.416 -15.007 1.00 12.35 H new ATOM 0 HB2 CYS A 8 12.579 -11.222 -16.325 1.00 15.23 H new ATOM 0 HB3 CYS A 8 13.819 -10.278 -17.126 1.00 15.23 H new ATOM 0 HG CYS A 8 13.745 -13.681 -17.509 1.00 70.10 H new ATOM 196 N SER A 15 11.767 -7.740 -21.171 1.00 51.13 N ATOM 197 CA SER A 15 10.879 -8.044 -20.055 1.00 61.23 C ATOM 198 C SER A 15 9.706 -7.070 -20.014 1.00 35.25 C ATOM 199 O SER A 15 9.423 -6.463 -18.980 1.00 41.21 O ATOM 200 CB SER A 15 11.649 -7.990 -18.734 1.00 52.12 C ATOM 201 OG SER A 15 11.111 -8.903 -17.793 1.00 3.31 O ATOM 0 HA SER A 15 10.487 -9.051 -20.198 1.00 61.23 H new ATOM 0 HB2 SER A 15 12.699 -8.222 -18.912 1.00 52.12 H new ATOM 0 HB3 SER A 15 11.610 -6.979 -18.328 1.00 52.12 H new ATOM 0 HG SER A 15 11.621 -8.851 -16.958 1.00 3.31 H new ATOM 207 N THR A 16 9.024 -6.926 -21.146 1.00 12.13 N ATOM 208 CA THR A 16 7.882 -6.026 -21.241 1.00 14.43 C ATOM 209 C THR A 16 6.568 -6.789 -21.119 1.00 70.43 C ATOM 210 O THR A 16 5.643 -6.350 -20.436 1.00 3.41 O ATOM 211 CB THR A 16 7.889 -5.247 -22.570 1.00 32.22 C ATOM 212 OG1 THR A 16 9.236 -5.033 -23.005 1.00 61.30 O ATOM 213 CG2 THR A 16 7.181 -3.909 -22.417 1.00 64.11 C ATOM 0 H THR A 16 9.243 -7.422 -22.010 1.00 12.13 H new ATOM 0 HA THR A 16 7.967 -5.320 -20.415 1.00 14.43 H new ATOM 0 HB THR A 16 7.357 -5.838 -23.315 1.00 32.22 H new ATOM 0 HG1 THR A 16 9.232 -4.539 -23.851 1.00 61.30 H new ATOM 0 HG21 THR A 16 7.199 -3.377 -23.368 1.00 64.11 H new ATOM 0 HG22 THR A 16 6.147 -4.077 -22.114 1.00 64.11 H new ATOM 0 HG23 THR A 16 7.689 -3.313 -21.659 1.00 64.11 H new ATOM 221 N VAL A 17 6.492 -7.937 -21.786 1.00 50.34 N ATOM 222 CA VAL A 17 5.291 -8.763 -21.752 1.00 24.24 C ATOM 223 C VAL A 17 4.852 -9.034 -20.317 1.00 61.31 C ATOM 224 O VAL A 17 3.673 -8.915 -19.984 1.00 50.42 O ATOM 225 CB VAL A 17 5.514 -10.107 -22.471 1.00 52.33 C ATOM 226 CG1 VAL A 17 4.263 -10.969 -22.391 1.00 25.23 C ATOM 227 CG2 VAL A 17 5.919 -9.874 -23.919 1.00 72.41 C ATOM 0 H VAL A 17 7.248 -8.316 -22.356 1.00 50.34 H new ATOM 0 HA VAL A 17 4.509 -8.207 -22.270 1.00 24.24 H new ATOM 0 HB VAL A 17 6.324 -10.638 -21.971 1.00 52.33 H new ATOM 0 HG11 VAL A 17 4.439 -11.914 -22.904 1.00 25.23 H new ATOM 0 HG12 VAL A 17 4.021 -11.163 -21.346 1.00 25.23 H new ATOM 0 HG13 VAL A 17 3.431 -10.448 -22.865 1.00 25.23 H new ATOM 0 HG21 VAL A 17 6.073 -10.834 -24.413 1.00 72.41 H new ATOM 0 HG22 VAL A 17 5.131 -9.323 -24.433 1.00 72.41 H new ATOM 0 HG23 VAL A 17 6.844 -9.298 -23.950 1.00 72.41 H new ATOM 237 N VAL A 18 5.809 -9.400 -19.470 1.00 41.10 N ATOM 238 CA VAL A 18 5.522 -9.687 -18.070 1.00 11.34 C ATOM 239 C VAL A 18 4.833 -8.505 -17.397 1.00 14.01 C ATOM 240 O VAL A 18 3.667 -8.590 -17.012 1.00 63.12 O ATOM 241 CB VAL A 18 6.807 -10.028 -17.292 1.00 33.32 C ATOM 242 CG1 VAL A 18 6.472 -10.476 -15.877 1.00 75.54 C ATOM 243 CG2 VAL A 18 7.604 -11.097 -18.024 1.00 31.22 C ATOM 0 H VAL A 18 6.790 -9.505 -19.729 1.00 41.10 H new ATOM 0 HA VAL A 18 4.856 -10.550 -18.054 1.00 11.34 H new ATOM 0 HB VAL A 18 7.421 -9.130 -17.227 1.00 33.32 H new ATOM 0 HG11 VAL A 18 7.392 -10.713 -15.343 1.00 75.54 H new ATOM 0 HG12 VAL A 18 5.946 -9.675 -15.357 1.00 75.54 H new ATOM 0 HG13 VAL A 18 5.837 -11.361 -15.916 1.00 75.54 H new ATOM 0 HG21 VAL A 18 8.509 -11.326 -17.461 1.00 31.22 H new ATOM 0 HG22 VAL A 18 6.999 -11.999 -18.122 1.00 31.22 H new ATOM 0 HG23 VAL A 18 7.876 -10.733 -19.015 1.00 31.22 H new ATOM 253 N ASN A 19 5.561 -7.402 -17.259 1.00 24.13 N ATOM 254 CA ASN A 19 5.020 -6.202 -16.632 1.00 0.31 C ATOM 255 C ASN A 19 3.692 -5.807 -17.270 1.00 52.42 C ATOM 256 O ASN A 19 2.687 -5.634 -16.581 1.00 65.31 O ATOM 257 CB ASN A 19 6.017 -5.047 -16.747 1.00 23.12 C ATOM 258 CG ASN A 19 5.371 -3.698 -16.500 1.00 54.20 C ATOM 259 OD1 ASN A 19 4.705 -3.492 -15.485 1.00 30.40 O ATOM 260 ND2 ASN A 19 5.564 -2.770 -17.430 1.00 71.25 N ATOM 0 H ASN A 19 6.527 -7.314 -17.573 1.00 24.13 H new ATOM 0 HA ASN A 19 4.847 -6.420 -15.578 1.00 0.31 H new ATOM 0 HB2 ASN A 19 6.825 -5.196 -16.031 1.00 23.12 H new ATOM 0 HB3 ASN A 19 6.465 -5.055 -17.740 1.00 23.12 H new ATOM 0 HD21 ASN A 19 5.153 -1.843 -17.319 1.00 71.25 H new ATOM 0 HD22 ASN A 19 6.123 -2.984 -18.256 1.00 71.25 H new ATOM 267 N ASN A 20 3.695 -5.666 -18.592 1.00 4.42 N ATOM 268 CA ASN A 20 2.491 -5.291 -19.324 1.00 11.12 C ATOM 269 C ASN A 20 1.335 -6.227 -18.985 1.00 21.32 C ATOM 270 O ASN A 20 0.179 -5.809 -18.933 1.00 31.03 O ATOM 271 CB ASN A 20 2.756 -5.315 -20.830 1.00 44.14 C ATOM 272 CG ASN A 20 3.364 -4.019 -21.331 1.00 41.31 C ATOM 273 OD1 ASN A 20 2.759 -3.304 -22.130 1.00 74.31 O ATOM 274 ND2 ASN A 20 4.567 -3.710 -20.862 1.00 44.31 N ATOM 0 H ASN A 20 4.518 -5.806 -19.178 1.00 4.42 H new ATOM 0 HA ASN A 20 2.216 -4.279 -19.027 1.00 11.12 H new ATOM 0 HB2 ASN A 20 3.426 -6.142 -21.065 1.00 44.14 H new ATOM 0 HB3 ASN A 20 1.821 -5.502 -21.358 1.00 44.14 H new ATOM 0 HD21 ASN A 20 5.026 -2.850 -21.163 1.00 44.31 H new ATOM 0 HD22 ASN A 20 5.032 -4.332 -20.201 1.00 44.31 H new ATOM 281 N ALA A 21 1.657 -7.496 -18.755 1.00 34.14 N ATOM 282 CA ALA A 21 0.646 -8.491 -18.418 1.00 61.21 C ATOM 283 C ALA A 21 0.143 -8.301 -16.991 1.00 73.52 C ATOM 284 O ALA A 21 -1.063 -8.322 -16.741 1.00 22.23 O ATOM 285 CB ALA A 21 1.206 -9.894 -18.600 1.00 70.31 C ATOM 0 H ALA A 21 2.609 -7.859 -18.796 1.00 34.14 H new ATOM 0 HA ALA A 21 -0.199 -8.358 -19.094 1.00 61.21 H new ATOM 0 HB1 ALA A 21 0.441 -10.627 -18.345 1.00 70.31 H new ATOM 0 HB2 ALA A 21 1.510 -10.033 -19.638 1.00 70.31 H new ATOM 0 HB3 ALA A 21 2.069 -10.029 -17.948 1.00 70.31 H new ATOM 291 N ILE A 22 1.073 -8.118 -16.060 1.00 54.42 N ATOM 292 CA ILE A 22 0.722 -7.924 -14.659 1.00 10.03 C ATOM 293 C ILE A 22 -0.084 -6.644 -14.465 1.00 40.05 C ATOM 294 O ILE A 22 -1.167 -6.664 -13.882 1.00 11.41 O ATOM 295 CB ILE A 22 1.977 -7.867 -13.767 1.00 54.12 C ATOM 296 CG1 ILE A 22 2.770 -9.170 -13.882 1.00 31.25 C ATOM 297 CG2 ILE A 22 1.587 -7.603 -12.321 1.00 13.25 C ATOM 298 CD1 ILE A 22 1.974 -10.398 -13.497 1.00 10.31 C ATOM 0 H ILE A 22 2.075 -8.100 -16.251 1.00 54.42 H new ATOM 0 HA ILE A 22 0.115 -8.780 -14.365 1.00 10.03 H new ATOM 0 HB ILE A 22 2.610 -7.047 -14.107 1.00 54.12 H new ATOM 0 HG12 ILE A 22 3.122 -9.282 -14.907 1.00 31.25 H new ATOM 0 HG13 ILE A 22 3.653 -9.106 -13.247 1.00 31.25 H new ATOM 0 HG21 ILE A 22 2.484 -7.566 -11.703 1.00 13.25 H new ATOM 0 HG22 ILE A 22 1.060 -6.651 -12.254 1.00 13.25 H new ATOM 0 HG23 ILE A 22 0.936 -8.403 -11.968 1.00 13.25 H new ATOM 0 HD11 ILE A 22 2.599 -11.285 -13.603 1.00 10.31 H new ATOM 0 HD12 ILE A 22 1.644 -10.308 -12.462 1.00 10.31 H new ATOM 0 HD13 ILE A 22 1.105 -10.487 -14.149 1.00 10.31 H new ATOM 310 N GLU A 23 0.452 -5.533 -14.961 1.00 70.03 N ATOM 311 CA GLU A 23 -0.219 -4.244 -14.844 1.00 2.34 C ATOM 312 C GLU A 23 -1.660 -4.333 -15.336 1.00 73.32 C ATOM 313 O GLU A 23 -2.551 -3.673 -14.802 1.00 70.33 O ATOM 314 CB GLU A 23 0.537 -3.176 -15.637 1.00 64.01 C ATOM 315 CG GLU A 23 0.492 -3.389 -17.141 1.00 20.22 C ATOM 316 CD GLU A 23 1.192 -2.284 -17.908 1.00 61.40 C ATOM 317 OE1 GLU A 23 0.773 -1.995 -19.048 1.00 70.42 O ATOM 318 OE2 GLU A 23 2.160 -1.709 -17.367 1.00 55.52 O ATOM 0 H GLU A 23 1.348 -5.500 -15.447 1.00 70.03 H new ATOM 0 HA GLU A 23 -0.230 -3.964 -13.791 1.00 2.34 H new ATOM 0 HB2 GLU A 23 0.117 -2.197 -15.404 1.00 64.01 H new ATOM 0 HB3 GLU A 23 1.577 -3.162 -15.311 1.00 64.01 H new ATOM 0 HG2 GLU A 23 0.957 -4.345 -17.383 1.00 20.22 H new ATOM 0 HG3 GLU A 23 -0.547 -3.449 -17.465 1.00 20.22 H new ATOM 325 N GLU A 24 -1.880 -5.154 -16.358 1.00 73.43 N ATOM 326 CA GLU A 24 -3.213 -5.329 -16.924 1.00 21.12 C ATOM 327 C GLU A 24 -4.160 -5.951 -15.902 1.00 14.22 C ATOM 328 O GLU A 24 -5.344 -5.617 -15.854 1.00 60.40 O ATOM 329 CB GLU A 24 -3.149 -6.206 -18.176 1.00 21.31 C ATOM 330 CG GLU A 24 -4.427 -6.189 -18.997 1.00 51.23 C ATOM 331 CD GLU A 24 -4.318 -7.017 -20.263 1.00 54.41 C ATOM 332 OE1 GLU A 24 -3.181 -7.324 -20.676 1.00 2.10 O ATOM 333 OE2 GLU A 24 -5.372 -7.357 -20.841 1.00 31.44 O ATOM 0 H GLU A 24 -1.153 -5.708 -16.811 1.00 73.43 H new ATOM 0 HA GLU A 24 -3.596 -4.346 -17.198 1.00 21.12 H new ATOM 0 HB2 GLU A 24 -2.321 -5.872 -18.801 1.00 21.31 H new ATOM 0 HB3 GLU A 24 -2.931 -7.232 -17.880 1.00 21.31 H new ATOM 0 HG2 GLU A 24 -5.250 -6.567 -18.390 1.00 51.23 H new ATOM 0 HG3 GLU A 24 -4.672 -5.160 -19.260 1.00 51.23 H new ATOM 340 N MET A 25 -3.630 -6.857 -15.087 1.00 11.34 N ATOM 341 CA MET A 25 -4.428 -7.525 -14.065 1.00 41.10 C ATOM 342 C MET A 25 -4.547 -6.658 -12.815 1.00 71.53 C ATOM 343 O MET A 25 -5.635 -6.495 -12.263 1.00 62.25 O ATOM 344 CB MET A 25 -3.807 -8.876 -13.706 1.00 31.23 C ATOM 345 CG MET A 25 -3.515 -9.751 -14.914 1.00 23.22 C ATOM 346 SD MET A 25 -4.984 -10.079 -15.906 1.00 31.01 S ATOM 347 CE MET A 25 -4.364 -9.740 -17.552 1.00 22.33 C ATOM 0 H MET A 25 -2.652 -7.145 -15.114 1.00 11.34 H new ATOM 0 HA MET A 25 -5.427 -7.688 -14.468 1.00 41.10 H new ATOM 0 HB2 MET A 25 -2.880 -8.706 -13.158 1.00 31.23 H new ATOM 0 HB3 MET A 25 -4.481 -9.410 -13.036 1.00 31.23 H new ATOM 0 HG2 MET A 25 -2.763 -9.266 -15.536 1.00 23.22 H new ATOM 0 HG3 MET A 25 -3.090 -10.697 -14.578 1.00 23.22 H new ATOM 0 HE1 MET A 25 -4.678 -8.743 -17.861 1.00 22.33 H new ATOM 0 HE2 MET A 25 -3.275 -9.793 -17.549 1.00 22.33 H new ATOM 0 HE3 MET A 25 -4.761 -10.477 -18.249 1.00 22.33 H new ATOM 357 N ALA A 26 -3.422 -6.106 -12.374 1.00 42.23 N ATOM 358 CA ALA A 26 -3.401 -5.255 -11.191 1.00 12.00 C ATOM 359 C ALA A 26 -4.459 -4.160 -11.283 1.00 62.44 C ATOM 360 O ALA A 26 -5.082 -3.799 -10.285 1.00 54.12 O ATOM 361 CB ALA A 26 -2.021 -4.643 -11.005 1.00 24.23 C ATOM 0 H ALA A 26 -2.513 -6.233 -12.818 1.00 42.23 H new ATOM 0 HA ALA A 26 -3.631 -5.875 -10.324 1.00 12.00 H new ATOM 0 HB1 ALA A 26 -2.020 -4.010 -10.118 1.00 24.23 H new ATOM 0 HB2 ALA A 26 -1.284 -5.437 -10.885 1.00 24.23 H new ATOM 0 HB3 ALA A 26 -1.768 -4.043 -11.879 1.00 24.23 H new ATOM 367 N LYS A 27 -4.656 -3.635 -12.488 1.00 11.02 N ATOM 368 CA LYS A 27 -5.639 -2.581 -12.712 1.00 22.32 C ATOM 369 C LYS A 27 -7.043 -3.065 -12.365 1.00 13.53 C ATOM 370 O LYS A 27 -7.797 -2.370 -11.684 1.00 54.24 O ATOM 371 CB LYS A 27 -5.594 -2.115 -14.169 1.00 21.13 C ATOM 372 CG LYS A 27 -5.522 -0.606 -14.322 1.00 53.34 C ATOM 373 CD LYS A 27 -6.053 -0.157 -15.673 1.00 54.15 C ATOM 374 CE LYS A 27 -6.523 1.289 -15.635 1.00 54.12 C ATOM 375 NZ LYS A 27 -7.200 1.686 -16.901 1.00 11.00 N ATOM 0 H LYS A 27 -4.148 -3.922 -13.324 1.00 11.02 H new ATOM 0 HA LYS A 27 -5.391 -1.743 -12.061 1.00 22.32 H new ATOM 0 HB2 LYS A 27 -4.729 -2.563 -14.659 1.00 21.13 H new ATOM 0 HB3 LYS A 27 -6.480 -2.483 -14.687 1.00 21.13 H new ATOM 0 HG2 LYS A 27 -6.098 -0.131 -13.528 1.00 53.34 H new ATOM 0 HG3 LYS A 27 -4.489 -0.277 -14.208 1.00 53.34 H new ATOM 0 HD2 LYS A 27 -5.273 -0.267 -16.427 1.00 54.15 H new ATOM 0 HD3 LYS A 27 -6.879 -0.801 -15.973 1.00 54.15 H new ATOM 0 HE2 LYS A 27 -7.208 1.426 -14.798 1.00 54.12 H new ATOM 0 HE3 LYS A 27 -5.670 1.944 -15.459 1.00 54.12 H new ATOM 0 HZ1 LYS A 27 -7.505 2.678 -16.835 1.00 11.00 H new ATOM 0 HZ2 LYS A 27 -6.539 1.579 -17.697 1.00 11.00 H new ATOM 0 HZ3 LYS A 27 -8.029 1.078 -17.057 1.00 11.00 H new ATOM 389 N GLU A 28 -7.387 -4.259 -12.836 1.00 25.55 N ATOM 390 CA GLU A 28 -8.701 -4.834 -12.573 1.00 64.43 C ATOM 391 C GLU A 28 -8.979 -4.895 -11.074 1.00 41.31 C ATOM 392 O GLU A 28 -10.102 -4.656 -10.630 1.00 12.23 O ATOM 393 CB GLU A 28 -8.798 -6.237 -13.178 1.00 53.41 C ATOM 394 CG GLU A 28 -10.201 -6.819 -13.141 1.00 31.22 C ATOM 395 CD GLU A 28 -11.196 -5.997 -13.937 1.00 3.33 C ATOM 396 OE1 GLU A 28 -10.888 -5.656 -15.098 1.00 42.41 O ATOM 397 OE2 GLU A 28 -12.281 -5.694 -13.399 1.00 11.22 O ATOM 0 H GLU A 28 -6.775 -4.847 -13.401 1.00 25.55 H new ATOM 0 HA GLU A 28 -9.450 -4.192 -13.038 1.00 64.43 H new ATOM 0 HB2 GLU A 28 -8.455 -6.202 -14.212 1.00 53.41 H new ATOM 0 HB3 GLU A 28 -8.123 -6.903 -12.641 1.00 53.41 H new ATOM 0 HG2 GLU A 28 -10.179 -7.836 -13.534 1.00 31.22 H new ATOM 0 HG3 GLU A 28 -10.536 -6.885 -12.106 1.00 31.22 H new ATOM 404 N HIS A 29 -7.948 -5.216 -10.299 1.00 63.43 N ATOM 405 CA HIS A 29 -8.080 -5.308 -8.850 1.00 32.43 C ATOM 406 C HIS A 29 -8.024 -3.924 -8.210 1.00 70.40 C ATOM 407 O HIS A 29 -8.605 -3.696 -7.150 1.00 31.10 O ATOM 408 CB HIS A 29 -6.978 -6.196 -8.271 1.00 4.41 C ATOM 409 CG HIS A 29 -7.152 -7.650 -8.586 1.00 3.53 C ATOM 410 ND1 HIS A 29 -7.729 -8.545 -7.711 1.00 32.15 N ATOM 411 CD2 HIS A 29 -6.822 -8.362 -9.688 1.00 71.31 C ATOM 412 CE1 HIS A 29 -7.746 -9.746 -8.260 1.00 65.23 C ATOM 413 NE2 HIS A 29 -7.201 -9.662 -9.461 1.00 33.42 N ATOM 0 H HIS A 29 -7.012 -5.417 -10.651 1.00 63.43 H new ATOM 0 HA HIS A 29 -9.049 -5.753 -8.626 1.00 32.43 H new ATOM 0 HB2 HIS A 29 -6.014 -5.862 -8.656 1.00 4.41 H new ATOM 0 HB3 HIS A 29 -6.951 -6.068 -7.189 1.00 4.41 H new ATOM 0 HD2 HIS A 29 -6.349 -7.979 -10.580 1.00 71.31 H new ATOM 0 HE1 HIS A 29 -8.138 -10.644 -7.805 1.00 65.23 H new ATOM 0 HE2 HIS A 29 -7.081 -10.437 -10.113 1.00 33.42 H new ATOM 421 N ASN A 30 -7.320 -3.005 -8.862 1.00 2.33 N ATOM 422 CA ASN A 30 -7.187 -1.643 -8.356 1.00 23.44 C ATOM 423 C ASN A 30 -6.416 -1.626 -7.039 1.00 14.52 C ATOM 424 O ASN A 30 -6.812 -0.954 -6.086 1.00 12.13 O ATOM 425 CB ASN A 30 -8.567 -1.012 -8.161 1.00 22.44 C ATOM 426 CG ASN A 30 -9.490 -1.266 -9.337 1.00 0.03 C ATOM 427 OD1 ASN A 30 -9.368 -0.631 -10.384 1.00 64.13 O ATOM 428 ND2 ASN A 30 -10.421 -2.198 -9.168 1.00 23.02 N ATOM 0 H ASN A 30 -6.833 -3.178 -9.741 1.00 2.33 H new ATOM 0 HA ASN A 30 -6.630 -1.061 -9.090 1.00 23.44 H new ATOM 0 HB2 ASN A 30 -9.021 -1.411 -7.254 1.00 22.44 H new ATOM 0 HB3 ASN A 30 -8.455 0.062 -8.016 1.00 22.44 H new ATOM 0 HD21 ASN A 30 -11.072 -2.412 -9.924 1.00 23.02 H new ATOM 0 HD22 ASN A 30 -10.485 -2.700 -8.282 1.00 23.02 H new ATOM 435 N ILE A 31 -5.315 -2.367 -6.994 1.00 63.12 N ATOM 436 CA ILE A 31 -4.488 -2.435 -5.795 1.00 52.15 C ATOM 437 C ILE A 31 -3.319 -1.459 -5.878 1.00 33.02 C ATOM 438 O ILE A 31 -2.818 -1.163 -6.963 1.00 30.13 O ATOM 439 CB ILE A 31 -3.941 -3.856 -5.569 1.00 24.41 C ATOM 440 CG1 ILE A 31 -5.075 -4.881 -5.638 1.00 13.42 C ATOM 441 CG2 ILE A 31 -3.224 -3.941 -4.229 1.00 52.24 C ATOM 442 CD1 ILE A 31 -4.597 -6.315 -5.614 1.00 25.33 C ATOM 0 H ILE A 31 -4.974 -2.929 -7.774 1.00 63.12 H new ATOM 0 HA ILE A 31 -5.127 -2.163 -4.955 1.00 52.15 H new ATOM 0 HB ILE A 31 -3.224 -4.082 -6.358 1.00 24.41 H new ATOM 0 HG12 ILE A 31 -5.752 -4.718 -4.799 1.00 13.42 H new ATOM 0 HG13 ILE A 31 -5.650 -4.714 -6.549 1.00 13.42 H new ATOM 0 HG21 ILE A 31 -2.843 -4.952 -4.084 1.00 52.24 H new ATOM 0 HG22 ILE A 31 -2.394 -3.235 -4.215 1.00 52.24 H new ATOM 0 HG23 ILE A 31 -3.921 -3.697 -3.427 1.00 52.24 H new ATOM 0 HD11 ILE A 31 -5.455 -6.985 -5.666 1.00 25.33 H new ATOM 0 HD12 ILE A 31 -3.944 -6.495 -6.468 1.00 25.33 H new ATOM 0 HD13 ILE A 31 -4.047 -6.500 -4.691 1.00 25.33 H new ATOM 454 N LYS A 32 -2.888 -0.963 -4.723 1.00 42.33 N ATOM 455 CA LYS A 32 -1.775 -0.022 -4.662 1.00 73.23 C ATOM 456 C LYS A 32 -0.444 -0.740 -4.861 1.00 32.35 C ATOM 457 O LYS A 32 0.374 -0.816 -3.944 1.00 21.31 O ATOM 458 CB LYS A 32 -1.775 0.713 -3.320 1.00 53.23 C ATOM 459 CG LYS A 32 -3.096 1.390 -2.998 1.00 11.24 C ATOM 460 CD LYS A 32 -3.493 2.382 -4.078 1.00 3.52 C ATOM 461 CE LYS A 32 -2.483 3.514 -4.193 1.00 12.43 C ATOM 462 NZ LYS A 32 -2.903 4.533 -5.195 1.00 34.15 N ATOM 0 H LYS A 32 -3.292 -1.197 -3.816 1.00 42.33 H new ATOM 0 HA LYS A 32 -1.900 0.703 -5.466 1.00 73.23 H new ATOM 0 HB2 LYS A 32 -1.537 0.004 -2.527 1.00 53.23 H new ATOM 0 HB3 LYS A 32 -0.984 1.463 -3.326 1.00 53.23 H new ATOM 0 HG2 LYS A 32 -3.876 0.636 -2.891 1.00 11.24 H new ATOM 0 HG3 LYS A 32 -3.018 1.905 -2.041 1.00 11.24 H new ATOM 0 HD2 LYS A 32 -3.574 1.867 -5.035 1.00 3.52 H new ATOM 0 HD3 LYS A 32 -4.477 2.793 -3.853 1.00 3.52 H new ATOM 0 HE2 LYS A 32 -2.359 3.990 -3.220 1.00 12.43 H new ATOM 0 HE3 LYS A 32 -1.512 3.107 -4.474 1.00 12.43 H new ATOM 0 HZ1 LYS A 32 -2.189 5.287 -5.244 1.00 34.15 H new ATOM 0 HZ2 LYS A 32 -2.997 4.084 -6.128 1.00 34.15 H new ATOM 0 HZ3 LYS A 32 -3.818 4.940 -4.914 1.00 34.15 H new ATOM 476 N VAL A 33 -0.233 -1.265 -6.064 1.00 13.24 N ATOM 477 CA VAL A 33 1.000 -1.974 -6.383 1.00 32.43 C ATOM 478 C VAL A 33 1.820 -1.213 -7.418 1.00 72.12 C ATOM 479 O VAL A 33 1.271 -0.638 -8.359 1.00 25.23 O ATOM 480 CB VAL A 33 0.711 -3.391 -6.913 1.00 72.15 C ATOM 481 CG1 VAL A 33 0.036 -3.324 -8.275 1.00 70.10 C ATOM 482 CG2 VAL A 33 1.994 -4.205 -6.985 1.00 0.02 C ATOM 0 H VAL A 33 -0.900 -1.212 -6.834 1.00 13.24 H new ATOM 0 HA VAL A 33 1.570 -2.050 -5.457 1.00 32.43 H new ATOM 0 HB VAL A 33 0.031 -3.887 -6.221 1.00 72.15 H new ATOM 0 HG11 VAL A 33 -0.161 -4.334 -8.634 1.00 70.10 H new ATOM 0 HG12 VAL A 33 -0.905 -2.780 -8.189 1.00 70.10 H new ATOM 0 HG13 VAL A 33 0.689 -2.809 -8.980 1.00 70.10 H new ATOM 0 HG21 VAL A 33 1.771 -5.203 -7.361 1.00 0.02 H new ATOM 0 HG22 VAL A 33 2.699 -3.714 -7.655 1.00 0.02 H new ATOM 0 HG23 VAL A 33 2.432 -4.282 -5.990 1.00 0.02 H new ATOM 492 N ASP A 34 3.136 -1.214 -7.239 1.00 40.21 N ATOM 493 CA ASP A 34 4.033 -0.524 -8.159 1.00 22.30 C ATOM 494 C ASP A 34 5.024 -1.500 -8.786 1.00 72.40 C ATOM 495 O ASP A 34 6.042 -1.840 -8.182 1.00 73.32 O ATOM 496 CB ASP A 34 4.787 0.590 -7.431 1.00 23.51 C ATOM 497 CG ASP A 34 4.878 1.860 -8.253 1.00 2.22 C ATOM 498 OD1 ASP A 34 6.007 2.351 -8.462 1.00 51.42 O ATOM 499 OD2 ASP A 34 3.820 2.364 -8.686 1.00 5.11 O ATOM 0 H ASP A 34 3.606 -1.685 -6.465 1.00 40.21 H new ATOM 0 HA ASP A 34 3.430 -0.085 -8.954 1.00 22.30 H new ATOM 0 HB2 ASP A 34 4.287 0.807 -6.487 1.00 23.51 H new ATOM 0 HB3 ASP A 34 5.792 0.245 -7.187 1.00 23.51 H new ATOM 504 N ILE A 35 4.718 -1.948 -9.999 1.00 41.01 N ATOM 505 CA ILE A 35 5.582 -2.885 -10.707 1.00 54.22 C ATOM 506 C ILE A 35 6.942 -2.263 -11.003 1.00 1.22 C ATOM 507 O ILE A 35 7.031 -1.204 -11.624 1.00 4.50 O ATOM 508 CB ILE A 35 4.944 -3.349 -12.030 1.00 34.01 C ATOM 509 CG1 ILE A 35 3.568 -3.966 -11.769 1.00 21.40 C ATOM 510 CG2 ILE A 35 5.852 -4.345 -12.735 1.00 40.12 C ATOM 511 CD1 ILE A 35 2.743 -4.156 -13.023 1.00 1.34 C ATOM 0 H ILE A 35 3.879 -1.678 -10.512 1.00 41.01 H new ATOM 0 HA ILE A 35 5.714 -3.748 -10.054 1.00 54.22 H new ATOM 0 HB ILE A 35 4.816 -2.482 -12.678 1.00 34.01 H new ATOM 0 HG12 ILE A 35 3.699 -4.931 -11.280 1.00 21.40 H new ATOM 0 HG13 ILE A 35 3.019 -3.329 -11.076 1.00 21.40 H new ATOM 0 HG21 ILE A 35 5.387 -4.664 -13.668 1.00 40.12 H new ATOM 0 HG22 ILE A 35 6.811 -3.874 -12.949 1.00 40.12 H new ATOM 0 HG23 ILE A 35 6.009 -5.212 -12.093 1.00 40.12 H new ATOM 0 HD11 ILE A 35 1.781 -4.597 -12.762 1.00 1.34 H new ATOM 0 HD12 ILE A 35 2.581 -3.190 -13.502 1.00 1.34 H new ATOM 0 HD13 ILE A 35 3.272 -4.817 -13.709 1.00 1.34 H new ATOM 523 N LYS A 36 8.001 -2.929 -10.555 1.00 71.12 N ATOM 524 CA LYS A 36 9.359 -2.445 -10.774 1.00 13.25 C ATOM 525 C LYS A 36 10.195 -3.485 -11.511 1.00 65.21 C ATOM 526 O LYS A 36 9.916 -4.682 -11.441 1.00 51.43 O ATOM 527 CB LYS A 36 10.019 -2.097 -9.437 1.00 63.45 C ATOM 528 CG LYS A 36 10.843 -0.822 -9.480 1.00 13.34 C ATOM 529 CD LYS A 36 11.822 -0.751 -8.320 1.00 32.53 C ATOM 530 CE LYS A 36 12.292 0.674 -8.072 1.00 74.15 C ATOM 531 NZ LYS A 36 13.280 1.117 -9.094 1.00 52.34 N ATOM 0 H LYS A 36 7.945 -3.806 -10.038 1.00 71.12 H new ATOM 0 HA LYS A 36 9.304 -1.547 -11.390 1.00 13.25 H new ATOM 0 HB2 LYS A 36 9.246 -1.995 -8.675 1.00 63.45 H new ATOM 0 HB3 LYS A 36 10.660 -2.924 -9.132 1.00 63.45 H new ATOM 0 HG2 LYS A 36 11.389 -0.772 -10.422 1.00 13.34 H new ATOM 0 HG3 LYS A 36 10.179 0.042 -9.451 1.00 13.34 H new ATOM 0 HD2 LYS A 36 11.349 -1.141 -7.419 1.00 32.53 H new ATOM 0 HD3 LYS A 36 12.682 -1.387 -8.529 1.00 32.53 H new ATOM 0 HE2 LYS A 36 11.434 1.346 -8.081 1.00 74.15 H new ATOM 0 HE3 LYS A 36 12.740 0.742 -7.081 1.00 74.15 H new ATOM 0 HZ1 LYS A 36 13.576 2.093 -8.890 1.00 52.34 H new ATOM 0 HZ2 LYS A 36 14.110 0.491 -9.069 1.00 52.34 H new ATOM 0 HZ3 LYS A 36 12.845 1.077 -10.038 1.00 52.34 H new ATOM 545 N GLN A 37 11.223 -3.021 -12.215 1.00 54.14 N ATOM 546 CA GLN A 37 12.100 -3.913 -12.965 1.00 12.43 C ATOM 547 C GLN A 37 13.547 -3.437 -12.896 1.00 1.31 C ATOM 548 O GLN A 37 13.854 -2.300 -13.256 1.00 5.11 O ATOM 549 CB GLN A 37 11.648 -4.000 -14.423 1.00 51.34 C ATOM 550 CG GLN A 37 10.144 -4.146 -14.587 1.00 14.13 C ATOM 551 CD GLN A 37 9.709 -4.124 -16.039 1.00 3.21 C ATOM 552 OE1 GLN A 37 9.830 -3.105 -16.720 1.00 1.24 O ATOM 553 NE2 GLN A 37 9.200 -5.251 -16.522 1.00 62.11 N ATOM 0 H GLN A 37 11.469 -2.033 -12.282 1.00 54.14 H new ATOM 0 HA GLN A 37 12.041 -4.904 -12.515 1.00 12.43 H new ATOM 0 HB2 GLN A 37 11.977 -3.105 -14.951 1.00 51.34 H new ATOM 0 HB3 GLN A 37 12.141 -4.849 -14.897 1.00 51.34 H new ATOM 0 HG2 GLN A 37 9.822 -5.081 -14.130 1.00 14.13 H new ATOM 0 HG3 GLN A 37 9.644 -3.340 -14.050 1.00 14.13 H new ATOM 0 HE21 GLN A 37 9.118 -6.072 -15.922 1.00 62.11 H new ATOM 0 HE22 GLN A 37 8.891 -5.296 -17.493 1.00 62.11 H new ATOM 562 N ILE A 38 14.431 -4.313 -12.431 1.00 43.12 N ATOM 563 CA ILE A 38 15.846 -3.982 -12.316 1.00 42.22 C ATOM 564 C ILE A 38 16.721 -5.191 -12.629 1.00 31.12 C ATOM 565 O ILE A 38 16.218 -6.285 -12.885 1.00 65.51 O ATOM 566 CB ILE A 38 16.190 -3.464 -10.907 1.00 44.23 C ATOM 567 CG1 ILE A 38 16.304 -4.631 -9.925 1.00 25.13 C ATOM 568 CG2 ILE A 38 15.139 -2.469 -10.437 1.00 63.41 C ATOM 569 CD1 ILE A 38 15.035 -5.444 -9.802 1.00 15.44 C ATOM 0 H ILE A 38 14.193 -5.257 -12.128 1.00 43.12 H new ATOM 0 HA ILE A 38 16.046 -3.194 -13.043 1.00 42.22 H new ATOM 0 HB ILE A 38 17.152 -2.953 -10.948 1.00 44.23 H new ATOM 0 HG12 ILE A 38 17.115 -5.285 -10.244 1.00 25.13 H new ATOM 0 HG13 ILE A 38 16.574 -4.243 -8.943 1.00 25.13 H new ATOM 0 HG21 ILE A 38 15.396 -2.112 -9.440 1.00 63.41 H new ATOM 0 HG22 ILE A 38 15.103 -1.625 -11.126 1.00 63.41 H new ATOM 0 HG23 ILE A 38 14.164 -2.956 -10.408 1.00 63.41 H new ATOM 0 HD11 ILE A 38 15.189 -6.254 -9.089 1.00 15.44 H new ATOM 0 HD12 ILE A 38 14.225 -4.803 -9.454 1.00 15.44 H new ATOM 0 HD13 ILE A 38 14.775 -5.861 -10.775 1.00 15.44 H new ATOM 581 N LYS A 39 18.034 -4.987 -12.604 1.00 54.02 N ATOM 582 CA LYS A 39 18.981 -6.060 -12.882 1.00 33.34 C ATOM 583 C LYS A 39 19.256 -6.881 -11.626 1.00 4.34 C ATOM 584 O LYS A 39 19.059 -6.405 -10.507 1.00 33.50 O ATOM 585 CB LYS A 39 20.290 -5.485 -13.425 1.00 43.15 C ATOM 586 CG LYS A 39 20.317 -5.357 -14.939 1.00 34.42 C ATOM 587 CD LYS A 39 20.354 -6.719 -15.612 1.00 44.15 C ATOM 588 CE LYS A 39 21.780 -7.227 -15.763 1.00 42.10 C ATOM 589 NZ LYS A 39 22.248 -7.936 -14.540 1.00 63.11 N ATOM 0 H LYS A 39 18.466 -4.087 -12.394 1.00 54.02 H new ATOM 0 HA LYS A 39 18.540 -6.715 -13.634 1.00 33.34 H new ATOM 0 HB2 LYS A 39 20.457 -4.503 -12.983 1.00 43.15 H new ATOM 0 HB3 LYS A 39 21.116 -6.122 -13.108 1.00 43.15 H new ATOM 0 HG2 LYS A 39 19.437 -4.808 -15.275 1.00 34.42 H new ATOM 0 HG3 LYS A 39 21.189 -4.777 -15.241 1.00 34.42 H new ATOM 0 HD2 LYS A 39 19.773 -7.431 -15.026 1.00 44.15 H new ATOM 0 HD3 LYS A 39 19.884 -6.654 -16.593 1.00 44.15 H new ATOM 0 HE2 LYS A 39 21.837 -7.901 -16.618 1.00 42.10 H new ATOM 0 HE3 LYS A 39 22.444 -6.389 -15.973 1.00 42.10 H new ATOM 0 HZ1 LYS A 39 22.899 -8.701 -14.810 1.00 63.11 H new ATOM 0 HZ2 LYS A 39 22.741 -7.265 -13.917 1.00 63.11 H new ATOM 0 HZ3 LYS A 39 21.431 -8.338 -14.038 1.00 63.11 H new ATOM 603 N ILE A 40 19.715 -8.113 -11.818 1.00 52.11 N ATOM 604 CA ILE A 40 20.020 -8.997 -10.700 1.00 71.33 C ATOM 605 C ILE A 40 20.927 -8.308 -9.686 1.00 35.40 C ATOM 606 O ILE A 40 20.869 -8.594 -8.489 1.00 71.34 O ATOM 607 CB ILE A 40 20.696 -10.296 -11.178 1.00 45.31 C ATOM 608 CG1 ILE A 40 19.753 -11.082 -12.090 1.00 70.33 C ATOM 609 CG2 ILE A 40 21.118 -11.143 -9.987 1.00 4.53 C ATOM 610 CD1 ILE A 40 18.511 -11.584 -11.387 1.00 3.10 C ATOM 0 H ILE A 40 19.884 -8.522 -12.737 1.00 52.11 H new ATOM 0 HA ILE A 40 19.071 -9.245 -10.225 1.00 71.33 H new ATOM 0 HB ILE A 40 21.588 -10.035 -11.748 1.00 45.31 H new ATOM 0 HG12 ILE A 40 19.456 -10.448 -12.925 1.00 70.33 H new ATOM 0 HG13 ILE A 40 20.291 -11.932 -12.510 1.00 70.33 H new ATOM 0 HG21 ILE A 40 21.594 -12.057 -10.341 1.00 4.53 H new ATOM 0 HG22 ILE A 40 21.822 -10.582 -9.373 1.00 4.53 H new ATOM 0 HG23 ILE A 40 20.241 -11.398 -9.392 1.00 4.53 H new ATOM 0 HD11 ILE A 40 17.889 -12.132 -12.095 1.00 3.10 H new ATOM 0 HD12 ILE A 40 18.798 -12.244 -10.569 1.00 3.10 H new ATOM 0 HD13 ILE A 40 17.950 -10.738 -10.991 1.00 3.10 H new ATOM 622 N THR A 41 21.764 -7.397 -10.172 1.00 14.24 N ATOM 623 CA THR A 41 22.682 -6.666 -9.308 1.00 44.11 C ATOM 624 C THR A 41 22.004 -5.450 -8.688 1.00 42.41 C ATOM 625 O THR A 41 22.324 -5.054 -7.568 1.00 11.13 O ATOM 626 CB THR A 41 23.932 -6.204 -10.081 1.00 24.22 C ATOM 627 OG1 THR A 41 23.567 -5.232 -11.067 1.00 25.20 O ATOM 628 CG2 THR A 41 24.619 -7.383 -10.753 1.00 61.33 C ATOM 0 H THR A 41 21.825 -7.148 -11.159 1.00 14.24 H new ATOM 0 HA THR A 41 22.985 -7.352 -8.517 1.00 44.11 H new ATOM 0 HB THR A 41 24.627 -5.756 -9.370 1.00 24.22 H new ATOM 0 HG1 THR A 41 24.367 -4.942 -11.553 1.00 25.20 H new ATOM 0 HG21 THR A 41 25.499 -7.032 -11.293 1.00 61.33 H new ATOM 0 HG22 THR A 41 24.922 -8.107 -9.997 1.00 61.33 H new ATOM 0 HG23 THR A 41 23.929 -7.856 -11.452 1.00 61.33 H new ATOM 636 N GLU A 42 21.066 -4.861 -9.424 1.00 21.51 N ATOM 637 CA GLU A 42 20.343 -3.689 -8.944 1.00 62.44 C ATOM 638 C GLU A 42 19.383 -4.065 -7.819 1.00 42.03 C ATOM 639 O GLU A 42 19.107 -3.261 -6.929 1.00 4.31 O ATOM 640 CB GLU A 42 19.571 -3.035 -10.091 1.00 53.45 C ATOM 641 CG GLU A 42 20.465 -2.420 -11.155 1.00 1.11 C ATOM 642 CD GLU A 42 21.233 -1.215 -10.646 1.00 61.42 C ATOM 643 OE1 GLU A 42 22.354 -0.973 -11.141 1.00 34.20 O ATOM 644 OE2 GLU A 42 20.713 -0.515 -9.753 1.00 15.31 O ATOM 0 H GLU A 42 20.789 -5.176 -10.354 1.00 21.51 H new ATOM 0 HA GLU A 42 21.072 -2.978 -8.554 1.00 62.44 H new ATOM 0 HB2 GLU A 42 18.927 -3.781 -10.557 1.00 53.45 H new ATOM 0 HB3 GLU A 42 18.920 -2.261 -9.685 1.00 53.45 H new ATOM 0 HG2 GLU A 42 21.170 -3.172 -11.511 1.00 1.11 H new ATOM 0 HG3 GLU A 42 19.856 -2.124 -12.009 1.00 1.11 H new ATOM 651 N VAL A 43 18.876 -5.293 -7.867 1.00 4.02 N ATOM 652 CA VAL A 43 17.948 -5.777 -6.852 1.00 53.43 C ATOM 653 C VAL A 43 18.663 -6.036 -5.531 1.00 41.12 C ATOM 654 O VAL A 43 18.029 -6.163 -4.484 1.00 43.25 O ATOM 655 CB VAL A 43 17.245 -7.070 -7.306 1.00 21.25 C ATOM 656 CG1 VAL A 43 18.236 -8.222 -7.368 1.00 70.50 C ATOM 657 CG2 VAL A 43 16.088 -7.401 -6.375 1.00 73.25 C ATOM 0 H VAL A 43 19.092 -5.971 -8.598 1.00 4.02 H new ATOM 0 HA VAL A 43 17.200 -4.997 -6.709 1.00 53.43 H new ATOM 0 HB VAL A 43 16.843 -6.913 -8.307 1.00 21.25 H new ATOM 0 HG11 VAL A 43 17.722 -9.127 -7.691 1.00 70.50 H new ATOM 0 HG12 VAL A 43 19.028 -7.983 -8.077 1.00 70.50 H new ATOM 0 HG13 VAL A 43 18.669 -8.383 -6.381 1.00 70.50 H new ATOM 0 HG21 VAL A 43 15.602 -8.317 -6.710 1.00 73.25 H new ATOM 0 HG22 VAL A 43 16.465 -7.540 -5.362 1.00 73.25 H new ATOM 0 HG23 VAL A 43 15.367 -6.583 -6.386 1.00 73.25 H new ATOM 667 N GLY A 44 19.989 -6.113 -5.588 1.00 23.03 N ATOM 668 CA GLY A 44 20.770 -6.356 -4.389 1.00 31.52 C ATOM 669 C GLY A 44 20.338 -5.483 -3.228 1.00 53.41 C ATOM 670 O GLY A 44 19.810 -5.963 -2.225 1.00 2.44 O ATOM 0 H GLY A 44 20.536 -6.011 -6.443 1.00 23.03 H new ATOM 0 HA2 GLY A 44 20.677 -7.404 -4.105 1.00 31.52 H new ATOM 0 HA3 GLY A 44 21.823 -6.176 -4.603 1.00 31.52 H new ATOM 674 N PRO A 45 20.563 -4.167 -3.357 1.00 5.30 N ATOM 675 CA PRO A 45 20.202 -3.196 -2.319 1.00 62.24 C ATOM 676 C PRO A 45 18.693 -3.024 -2.187 1.00 51.21 C ATOM 677 O PRO A 45 18.203 -2.508 -1.182 1.00 70.21 O ATOM 678 CB PRO A 45 20.848 -1.897 -2.808 1.00 70.33 C ATOM 679 CG PRO A 45 20.953 -2.059 -4.286 1.00 21.25 C ATOM 680 CD PRO A 45 21.188 -3.525 -4.526 1.00 3.22 C ATOM 0 HA PRO A 45 20.540 -3.510 -1.331 1.00 62.24 H new ATOM 0 HB2 PRO A 45 20.241 -1.030 -2.547 1.00 70.33 H new ATOM 0 HB3 PRO A 45 21.828 -1.748 -2.355 1.00 70.33 H new ATOM 0 HG2 PRO A 45 20.042 -1.724 -4.781 1.00 21.25 H new ATOM 0 HG3 PRO A 45 21.772 -1.462 -4.687 1.00 21.25 H new ATOM 0 HD2 PRO A 45 20.732 -3.858 -5.459 1.00 3.22 H new ATOM 0 HD3 PRO A 45 22.251 -3.756 -4.591 1.00 3.22 H new ATOM 688 N TYR A 46 17.961 -3.459 -3.207 1.00 0.42 N ATOM 689 CA TYR A 46 16.507 -3.350 -3.205 1.00 30.31 C ATOM 690 C TYR A 46 15.867 -4.624 -2.663 1.00 35.44 C ATOM 691 O TYR A 46 14.822 -5.061 -3.146 1.00 2.44 O ATOM 692 CB TYR A 46 15.994 -3.070 -4.618 1.00 54.22 C ATOM 693 CG TYR A 46 16.228 -1.648 -5.077 1.00 21.24 C ATOM 694 CD1 TYR A 46 15.876 -0.571 -4.272 1.00 61.31 C ATOM 695 CD2 TYR A 46 16.800 -1.382 -6.314 1.00 45.41 C ATOM 696 CE1 TYR A 46 16.088 0.729 -4.687 1.00 13.42 C ATOM 697 CE2 TYR A 46 17.017 -0.084 -6.736 1.00 62.34 C ATOM 698 CZ TYR A 46 16.659 0.968 -5.919 1.00 71.34 C ATOM 699 OH TYR A 46 16.872 2.261 -6.337 1.00 52.50 O ATOM 0 H TYR A 46 18.351 -3.890 -4.045 1.00 0.42 H new ATOM 0 HA TYR A 46 16.231 -2.520 -2.554 1.00 30.31 H new ATOM 0 HB2 TYR A 46 16.481 -3.752 -5.314 1.00 54.22 H new ATOM 0 HB3 TYR A 46 14.926 -3.284 -4.657 1.00 54.22 H new ATOM 0 HD1 TYR A 46 15.429 -0.754 -3.306 1.00 61.31 H new ATOM 0 HD2 TYR A 46 17.080 -2.203 -6.957 1.00 45.41 H new ATOM 0 HE1 TYR A 46 15.808 1.555 -4.050 1.00 13.42 H new ATOM 0 HE2 TYR A 46 17.465 0.106 -7.700 1.00 62.34 H new ATOM 0 HH TYR A 46 17.283 2.254 -7.227 1.00 52.50 H new ATOM 709 N GLU A 47 16.501 -5.215 -1.655 1.00 62.51 N ATOM 710 CA GLU A 47 15.994 -6.440 -1.047 1.00 11.33 C ATOM 711 C GLU A 47 15.085 -6.123 0.138 1.00 44.33 C ATOM 712 O GLU A 47 14.080 -6.797 0.360 1.00 31.34 O ATOM 713 CB GLU A 47 17.154 -7.327 -0.591 1.00 33.55 C ATOM 714 CG GLU A 47 17.838 -8.068 -1.728 1.00 14.52 C ATOM 715 CD GLU A 47 17.004 -9.217 -2.261 1.00 0.34 C ATOM 716 OE1 GLU A 47 16.905 -9.353 -3.498 1.00 40.02 O ATOM 717 OE2 GLU A 47 16.451 -9.979 -1.441 1.00 72.10 O ATOM 0 H GLU A 47 17.366 -4.866 -1.242 1.00 62.51 H new ATOM 0 HA GLU A 47 15.411 -6.974 -1.798 1.00 11.33 H new ATOM 0 HB2 GLU A 47 17.890 -6.711 -0.075 1.00 33.55 H new ATOM 0 HB3 GLU A 47 16.783 -8.053 0.133 1.00 33.55 H new ATOM 0 HG2 GLU A 47 18.047 -7.369 -2.538 1.00 14.52 H new ATOM 0 HG3 GLU A 47 18.798 -8.451 -1.382 1.00 14.52 H new ATOM 724 N ASP A 48 15.447 -5.092 0.894 1.00 63.30 N ATOM 725 CA ASP A 48 14.666 -4.685 2.056 1.00 54.55 C ATOM 726 C ASP A 48 13.430 -3.898 1.630 1.00 50.41 C ATOM 727 O ASP A 48 12.299 -4.305 1.896 1.00 15.53 O ATOM 728 CB ASP A 48 15.521 -3.842 3.002 1.00 2.44 C ATOM 729 CG ASP A 48 16.805 -4.542 3.401 1.00 30.44 C ATOM 730 OD1 ASP A 48 17.683 -4.712 2.530 1.00 21.12 O ATOM 731 OD2 ASP A 48 16.931 -4.922 4.585 1.00 42.23 O ATOM 0 H ASP A 48 16.276 -4.523 0.723 1.00 63.30 H new ATOM 0 HA ASP A 48 14.341 -5.585 2.578 1.00 54.55 H new ATOM 0 HB2 ASP A 48 15.762 -2.894 2.522 1.00 2.44 H new ATOM 0 HB3 ASP A 48 14.945 -3.609 3.897 1.00 2.44 H new ATOM 736 N THR A 49 13.654 -2.767 0.967 1.00 12.13 N ATOM 737 CA THR A 49 12.560 -1.921 0.507 1.00 74.52 C ATOM 738 C THR A 49 11.537 -2.728 -0.285 1.00 61.41 C ATOM 739 O THR A 49 10.368 -2.805 0.090 1.00 14.21 O ATOM 740 CB THR A 49 13.074 -0.765 -0.370 1.00 44.43 C ATOM 741 OG1 THR A 49 13.822 -1.283 -1.476 1.00 74.32 O ATOM 742 CG2 THR A 49 13.948 0.181 0.440 1.00 42.23 C ATOM 0 H THR A 49 14.584 -2.416 0.737 1.00 12.13 H new ATOM 0 HA THR A 49 12.084 -1.508 1.397 1.00 74.52 H new ATOM 0 HB THR A 49 12.213 -0.211 -0.742 1.00 44.43 H new ATOM 0 HG1 THR A 49 13.737 -0.677 -2.241 1.00 74.32 H new ATOM 0 HG21 THR A 49 14.300 0.990 -0.201 1.00 42.23 H new ATOM 0 HG22 THR A 49 13.368 0.597 1.264 1.00 42.23 H new ATOM 0 HG23 THR A 49 14.804 -0.365 0.838 1.00 42.23 H new ATOM 750 N ALA A 50 11.986 -3.330 -1.382 1.00 51.30 N ATOM 751 CA ALA A 50 11.110 -4.134 -2.225 1.00 51.53 C ATOM 752 C ALA A 50 10.478 -5.273 -1.432 1.00 42.43 C ATOM 753 O ALA A 50 11.175 -6.043 -0.772 1.00 63.31 O ATOM 754 CB ALA A 50 11.881 -4.682 -3.417 1.00 5.44 C ATOM 0 H ALA A 50 12.951 -3.276 -1.707 1.00 51.30 H new ATOM 0 HA ALA A 50 10.308 -3.492 -2.589 1.00 51.53 H new ATOM 0 HB1 ALA A 50 11.214 -5.280 -4.038 1.00 5.44 H new ATOM 0 HB2 ALA A 50 12.279 -3.855 -4.005 1.00 5.44 H new ATOM 0 HB3 ALA A 50 12.703 -5.304 -3.064 1.00 5.44 H new ATOM 760 N ASP A 51 9.155 -5.373 -1.501 1.00 44.50 N ATOM 761 CA ASP A 51 8.430 -6.418 -0.789 1.00 74.24 C ATOM 762 C ASP A 51 8.615 -7.770 -1.473 1.00 12.44 C ATOM 763 O ASP A 51 9.198 -8.692 -0.901 1.00 11.34 O ATOM 764 CB ASP A 51 6.942 -6.073 -0.710 1.00 52.52 C ATOM 765 CG ASP A 51 6.221 -6.859 0.367 1.00 62.31 C ATOM 766 OD1 ASP A 51 6.254 -6.429 1.539 1.00 50.30 O ATOM 767 OD2 ASP A 51 5.624 -7.905 0.038 1.00 74.02 O ATOM 0 H ASP A 51 8.563 -4.743 -2.043 1.00 44.50 H new ATOM 0 HA ASP A 51 8.834 -6.483 0.221 1.00 74.24 H new ATOM 0 HB2 ASP A 51 6.829 -5.007 -0.514 1.00 52.52 H new ATOM 0 HB3 ASP A 51 6.475 -6.271 -1.675 1.00 52.52 H new ATOM 772 N LEU A 52 8.114 -7.881 -2.698 1.00 44.41 N ATOM 773 CA LEU A 52 8.224 -9.120 -3.460 1.00 14.03 C ATOM 774 C LEU A 52 9.190 -8.958 -4.629 1.00 0.54 C ATOM 775 O LEU A 52 9.591 -7.843 -4.966 1.00 42.11 O ATOM 776 CB LEU A 52 6.848 -9.547 -3.976 1.00 25.42 C ATOM 777 CG LEU A 52 6.143 -10.644 -3.177 1.00 62.34 C ATOM 778 CD1 LEU A 52 4.780 -10.950 -3.779 1.00 65.21 C ATOM 779 CD2 LEU A 52 7.000 -11.901 -3.126 1.00 32.11 C ATOM 0 H LEU A 52 7.628 -7.128 -3.185 1.00 44.41 H new ATOM 0 HA LEU A 52 8.613 -9.892 -2.797 1.00 14.03 H new ATOM 0 HB2 LEU A 52 6.202 -8.669 -3.998 1.00 25.42 H new ATOM 0 HB3 LEU A 52 6.958 -9.888 -5.005 1.00 25.42 H new ATOM 0 HG LEU A 52 5.996 -10.287 -2.158 1.00 62.34 H new ATOM 0 HD11 LEU A 52 4.293 -11.733 -3.198 1.00 65.21 H new ATOM 0 HD12 LEU A 52 4.165 -10.050 -3.763 1.00 65.21 H new ATOM 0 HD13 LEU A 52 4.904 -11.287 -4.808 1.00 65.21 H new ATOM 0 HD21 LEU A 52 6.483 -12.671 -2.554 1.00 32.11 H new ATOM 0 HD22 LEU A 52 7.179 -12.261 -4.139 1.00 32.11 H new ATOM 0 HD23 LEU A 52 7.953 -11.673 -2.649 1.00 32.11 H new ATOM 791 N LEU A 53 9.559 -10.075 -5.244 1.00 72.42 N ATOM 792 CA LEU A 53 10.477 -10.057 -6.378 1.00 33.41 C ATOM 793 C LEU A 53 10.225 -11.245 -7.301 1.00 61.22 C ATOM 794 O LEU A 53 9.860 -12.330 -6.849 1.00 34.23 O ATOM 795 CB LEU A 53 11.925 -10.077 -5.887 1.00 3.52 C ATOM 796 CG LEU A 53 12.999 -10.203 -6.968 1.00 40.21 C ATOM 797 CD1 LEU A 53 12.852 -9.094 -7.999 1.00 34.23 C ATOM 798 CD2 LEU A 53 14.388 -10.174 -6.347 1.00 32.44 C ATOM 0 H LEU A 53 9.237 -11.005 -4.977 1.00 72.42 H new ATOM 0 HA LEU A 53 10.303 -9.140 -6.941 1.00 33.41 H new ATOM 0 HB2 LEU A 53 12.110 -9.162 -5.325 1.00 3.52 H new ATOM 0 HB3 LEU A 53 12.040 -10.907 -5.190 1.00 3.52 H new ATOM 0 HG LEU A 53 12.868 -11.160 -7.472 1.00 40.21 H new ATOM 0 HD11 LEU A 53 13.625 -9.200 -8.760 1.00 34.23 H new ATOM 0 HD12 LEU A 53 11.870 -9.160 -8.467 1.00 34.23 H new ATOM 0 HD13 LEU A 53 12.956 -8.126 -7.509 1.00 34.23 H new ATOM 0 HD21 LEU A 53 15.139 -10.265 -7.132 1.00 32.44 H new ATOM 0 HD22 LEU A 53 14.530 -9.233 -5.816 1.00 32.44 H new ATOM 0 HD23 LEU A 53 14.491 -11.004 -5.648 1.00 32.44 H new ATOM 810 N VAL A 54 10.425 -11.033 -8.598 1.00 64.00 N ATOM 811 CA VAL A 54 10.224 -12.087 -9.585 1.00 54.22 C ATOM 812 C VAL A 54 11.401 -12.169 -10.550 1.00 24.23 C ATOM 813 O VAL A 54 11.797 -11.170 -11.152 1.00 72.41 O ATOM 814 CB VAL A 54 8.930 -11.862 -10.390 1.00 51.42 C ATOM 815 CG1 VAL A 54 8.612 -13.081 -11.242 1.00 51.33 C ATOM 816 CG2 VAL A 54 7.773 -11.536 -9.458 1.00 12.11 C ATOM 0 H VAL A 54 10.726 -10.141 -8.990 1.00 64.00 H new ATOM 0 HA VAL A 54 10.143 -13.024 -9.035 1.00 54.22 H new ATOM 0 HB VAL A 54 9.080 -11.013 -11.056 1.00 51.42 H new ATOM 0 HG11 VAL A 54 7.695 -12.903 -11.803 1.00 51.33 H new ATOM 0 HG12 VAL A 54 9.432 -13.264 -11.936 1.00 51.33 H new ATOM 0 HG13 VAL A 54 8.481 -13.951 -10.598 1.00 51.33 H new ATOM 0 HG21 VAL A 54 6.867 -11.380 -10.044 1.00 12.11 H new ATOM 0 HG22 VAL A 54 7.620 -12.363 -8.765 1.00 12.11 H new ATOM 0 HG23 VAL A 54 8.002 -10.630 -8.896 1.00 12.11 H new ATOM 826 N THR A 55 11.960 -13.367 -10.693 1.00 34.42 N ATOM 827 CA THR A 55 13.093 -13.581 -11.584 1.00 20.14 C ATOM 828 C THR A 55 12.925 -14.864 -12.390 1.00 14.04 C ATOM 829 O THR A 55 12.092 -15.711 -12.063 1.00 1.41 O ATOM 830 CB THR A 55 14.418 -13.650 -10.801 1.00 33.34 C ATOM 831 OG1 THR A 55 15.509 -13.864 -11.702 1.00 62.24 O ATOM 832 CG2 THR A 55 14.379 -14.768 -9.769 1.00 51.13 C ATOM 0 H THR A 55 11.646 -14.204 -10.202 1.00 34.42 H new ATOM 0 HA THR A 55 13.125 -12.730 -12.264 1.00 20.14 H new ATOM 0 HB THR A 55 14.557 -12.702 -10.282 1.00 33.34 H new ATOM 0 HG1 THR A 55 15.648 -13.059 -12.244 1.00 62.24 H new ATOM 0 HG21 THR A 55 15.325 -14.797 -9.229 1.00 51.13 H new ATOM 0 HG22 THR A 55 13.565 -14.587 -9.067 1.00 51.13 H new ATOM 0 HG23 THR A 55 14.218 -15.722 -10.272 1.00 51.13 H new ATOM 840 N THR A 56 13.721 -15.003 -13.445 1.00 73.12 N ATOM 841 CA THR A 56 13.659 -16.183 -14.298 1.00 64.05 C ATOM 842 C THR A 56 15.055 -16.713 -14.605 1.00 24.33 C ATOM 843 O THR A 56 15.311 -17.220 -15.696 1.00 63.33 O ATOM 844 CB THR A 56 12.935 -15.881 -15.624 1.00 43.30 C ATOM 845 OG1 THR A 56 13.814 -15.185 -16.515 1.00 24.01 O ATOM 846 CG2 THR A 56 11.687 -15.046 -15.381 1.00 1.04 C ATOM 0 H THR A 56 14.416 -14.313 -13.729 1.00 73.12 H new ATOM 0 HA THR A 56 13.098 -16.940 -13.750 1.00 64.05 H new ATOM 0 HB THR A 56 12.638 -16.828 -16.074 1.00 43.30 H new ATOM 0 HG1 THR A 56 14.483 -15.808 -16.867 1.00 24.01 H new ATOM 0 HG21 THR A 56 11.193 -14.845 -16.332 1.00 1.04 H new ATOM 0 HG22 THR A 56 11.007 -15.590 -14.726 1.00 1.04 H new ATOM 0 HG23 THR A 56 11.966 -14.103 -14.911 1.00 1.04 H new ATOM 854 N ALA A 57 15.955 -16.593 -13.634 1.00 30.42 N ATOM 855 CA ALA A 57 17.325 -17.064 -13.799 1.00 53.42 C ATOM 856 C ALA A 57 17.902 -17.549 -12.474 1.00 63.00 C ATOM 857 O ALA A 57 17.244 -17.480 -11.437 1.00 13.22 O ATOM 858 CB ALA A 57 18.194 -15.960 -14.384 1.00 24.43 C ATOM 0 H ALA A 57 15.760 -16.174 -12.725 1.00 30.42 H new ATOM 0 HA ALA A 57 17.314 -17.907 -14.490 1.00 53.42 H new ATOM 0 HB1 ALA A 57 19.214 -16.324 -14.502 1.00 24.43 H new ATOM 0 HB2 ALA A 57 17.800 -15.663 -15.356 1.00 24.43 H new ATOM 0 HB3 ALA A 57 18.191 -15.101 -13.713 1.00 24.43 H new ATOM 954 N TYR A 63 17.831 -14.528 -1.115 1.00 22.12 N ATOM 955 CA TYR A 63 16.826 -13.477 -1.010 1.00 45.44 C ATOM 956 C TYR A 63 16.166 -13.489 0.365 1.00 52.13 C ATOM 957 O TYR A 63 16.324 -14.437 1.135 1.00 54.25 O ATOM 958 CB TYR A 63 15.766 -13.646 -2.100 1.00 11.24 C ATOM 959 CG TYR A 63 16.326 -13.594 -3.503 1.00 72.01 C ATOM 960 CD1 TYR A 63 16.170 -14.666 -4.374 1.00 5.22 C ATOM 961 CD2 TYR A 63 17.011 -12.474 -3.958 1.00 73.34 C ATOM 962 CE1 TYR A 63 16.681 -14.624 -5.657 1.00 12.51 C ATOM 963 CE2 TYR A 63 17.523 -12.423 -5.240 1.00 41.42 C ATOM 964 CZ TYR A 63 17.356 -13.500 -6.086 1.00 12.45 C ATOM 965 OH TYR A 63 17.866 -13.453 -7.363 1.00 0.43 O ATOM 0 HA TYR A 63 17.325 -12.517 -1.144 1.00 45.44 H new ATOM 0 HB2 TYR A 63 15.258 -14.599 -1.956 1.00 11.24 H new ATOM 0 HB3 TYR A 63 15.015 -12.864 -1.989 1.00 11.24 H new ATOM 0 HD1 TYR A 63 15.640 -15.547 -4.042 1.00 5.22 H new ATOM 0 HD2 TYR A 63 17.145 -11.629 -3.298 1.00 73.34 H new ATOM 0 HE1 TYR A 63 16.553 -15.467 -6.320 1.00 12.51 H new ATOM 0 HE2 TYR A 63 18.052 -11.544 -5.578 1.00 41.42 H new ATOM 0 HH TYR A 63 18.311 -12.592 -7.506 1.00 0.43 H new ATOM 975 N LYS A 64 15.424 -12.429 0.667 1.00 50.22 N ATOM 976 CA LYS A 64 14.736 -12.316 1.947 1.00 2.55 C ATOM 977 C LYS A 64 13.226 -12.237 1.749 1.00 51.22 C ATOM 978 O LYS A 64 12.524 -11.565 2.506 1.00 64.15 O ATOM 979 CB LYS A 64 15.227 -11.080 2.706 1.00 54.14 C ATOM 980 CG LYS A 64 14.959 -9.774 1.978 1.00 42.13 C ATOM 981 CD LYS A 64 14.752 -8.625 2.951 1.00 72.52 C ATOM 982 CE LYS A 64 13.331 -8.605 3.494 1.00 42.32 C ATOM 983 NZ LYS A 64 13.163 -7.588 4.569 1.00 22.31 N ATOM 0 H LYS A 64 15.284 -11.635 0.042 1.00 50.22 H new ATOM 0 HA LYS A 64 14.961 -13.208 2.532 1.00 2.55 H new ATOM 0 HB2 LYS A 64 14.744 -11.048 3.683 1.00 54.14 H new ATOM 0 HB3 LYS A 64 16.298 -11.174 2.883 1.00 54.14 H new ATOM 0 HG2 LYS A 64 15.796 -9.546 1.318 1.00 42.13 H new ATOM 0 HG3 LYS A 64 14.076 -9.882 1.348 1.00 42.13 H new ATOM 0 HD2 LYS A 64 15.457 -8.715 3.777 1.00 72.52 H new ATOM 0 HD3 LYS A 64 14.965 -7.680 2.451 1.00 72.52 H new ATOM 0 HE2 LYS A 64 12.635 -8.394 2.682 1.00 42.32 H new ATOM 0 HE3 LYS A 64 13.077 -9.591 3.884 1.00 42.32 H new ATOM 0 HZ1 LYS A 64 12.196 -7.640 4.948 1.00 22.31 H new ATOM 0 HZ2 LYS A 64 13.845 -7.774 5.332 1.00 22.31 H new ATOM 0 HZ3 LYS A 64 13.331 -6.639 4.178 1.00 22.31 H new ATOM 997 N PHE A 65 12.731 -12.928 0.727 1.00 21.25 N ATOM 998 CA PHE A 65 11.304 -12.937 0.430 1.00 14.20 C ATOM 999 C PHE A 65 10.951 -14.083 -0.514 1.00 5.13 C ATOM 1000 O PHE A 65 11.806 -14.634 -1.208 1.00 1.02 O ATOM 1001 CB PHE A 65 10.882 -11.603 -0.190 1.00 2.11 C ATOM 1002 CG PHE A 65 11.927 -11.001 -1.085 1.00 65.21 C ATOM 1003 CD1 PHE A 65 12.431 -9.736 -0.831 1.00 3.22 C ATOM 1004 CD2 PHE A 65 12.406 -11.701 -2.181 1.00 52.23 C ATOM 1005 CE1 PHE A 65 13.394 -9.179 -1.652 1.00 75.24 C ATOM 1006 CE2 PHE A 65 13.368 -11.150 -3.006 1.00 42.40 C ATOM 1007 CZ PHE A 65 13.862 -9.887 -2.742 1.00 53.10 C ATOM 0 H PHE A 65 13.298 -13.489 0.091 1.00 21.25 H new ATOM 0 HA PHE A 65 10.765 -13.082 1.366 1.00 14.20 H new ATOM 0 HB2 PHE A 65 9.966 -11.751 -0.762 1.00 2.11 H new ATOM 0 HB3 PHE A 65 10.649 -10.898 0.608 1.00 2.11 H new ATOM 0 HD1 PHE A 65 12.067 -9.178 0.019 1.00 3.22 H new ATOM 0 HD2 PHE A 65 12.023 -12.688 -2.393 1.00 52.23 H new ATOM 0 HE1 PHE A 65 13.780 -8.192 -1.442 1.00 75.24 H new ATOM 0 HE2 PHE A 65 13.733 -11.706 -3.857 1.00 42.40 H new ATOM 0 HZ PHE A 65 14.613 -9.454 -3.387 1.00 53.10 H new ATOM 1017 N PRO A 66 9.662 -14.452 -0.541 1.00 2.24 N ATOM 1018 CA PRO A 66 9.166 -15.535 -1.394 1.00 64.34 C ATOM 1019 C PRO A 66 9.193 -15.166 -2.874 1.00 22.23 C ATOM 1020 O PRO A 66 8.172 -14.789 -3.448 1.00 72.13 O ATOM 1021 CB PRO A 66 7.725 -15.731 -0.918 1.00 51.01 C ATOM 1022 CG PRO A 66 7.336 -14.415 -0.339 1.00 15.05 C ATOM 1023 CD PRO A 66 8.589 -13.839 0.260 1.00 10.01 C ATOM 0 HA PRO A 66 9.781 -16.431 -1.313 1.00 64.34 H new ATOM 0 HB2 PRO A 66 7.070 -16.010 -1.743 1.00 51.01 H new ATOM 0 HB3 PRO A 66 7.658 -16.526 -0.175 1.00 51.01 H new ATOM 0 HG2 PRO A 66 6.932 -13.755 -1.107 1.00 15.05 H new ATOM 0 HG3 PRO A 66 6.561 -14.536 0.418 1.00 15.05 H new ATOM 0 HD2 PRO A 66 8.605 -12.751 0.189 1.00 10.01 H new ATOM 0 HD3 PRO A 66 8.682 -14.091 1.316 1.00 10.01 H new ATOM 1031 N VAL A 67 10.368 -15.278 -3.486 1.00 10.44 N ATOM 1032 CA VAL A 67 10.527 -14.957 -4.899 1.00 2.00 C ATOM 1033 C VAL A 67 9.724 -15.913 -5.773 1.00 55.13 C ATOM 1034 O VAL A 67 9.590 -17.096 -5.457 1.00 43.44 O ATOM 1035 CB VAL A 67 12.007 -15.011 -5.324 1.00 32.44 C ATOM 1036 CG1 VAL A 67 12.150 -14.686 -6.803 1.00 23.54 C ATOM 1037 CG2 VAL A 67 12.839 -14.060 -4.477 1.00 51.11 C ATOM 0 H VAL A 67 11.223 -15.589 -3.025 1.00 10.44 H new ATOM 0 HA VAL A 67 10.154 -13.942 -5.037 1.00 2.00 H new ATOM 0 HB VAL A 67 12.377 -16.023 -5.162 1.00 32.44 H new ATOM 0 HG11 VAL A 67 13.202 -14.729 -7.085 1.00 23.54 H new ATOM 0 HG12 VAL A 67 11.587 -15.411 -7.391 1.00 23.54 H new ATOM 0 HG13 VAL A 67 11.764 -13.685 -6.995 1.00 23.54 H new ATOM 0 HG21 VAL A 67 13.882 -14.111 -4.791 1.00 51.11 H new ATOM 0 HG22 VAL A 67 12.471 -13.042 -4.605 1.00 51.11 H new ATOM 0 HG23 VAL A 67 12.761 -14.345 -3.428 1.00 51.11 H new ATOM 1047 N ILE A 68 9.190 -15.393 -6.874 1.00 2.15 N ATOM 1048 CA ILE A 68 8.401 -16.201 -7.795 1.00 13.04 C ATOM 1049 C ILE A 68 9.070 -16.287 -9.162 1.00 73.32 C ATOM 1050 O ILE A 68 9.605 -15.301 -9.666 1.00 2.12 O ATOM 1051 CB ILE A 68 6.980 -15.633 -7.966 1.00 15.22 C ATOM 1052 CG1 ILE A 68 6.278 -15.537 -6.609 1.00 61.44 C ATOM 1053 CG2 ILE A 68 6.175 -16.498 -8.925 1.00 2.05 C ATOM 1054 CD1 ILE A 68 6.386 -14.172 -5.968 1.00 40.41 C ATOM 0 H ILE A 68 9.290 -14.416 -7.149 1.00 2.15 H new ATOM 0 HA ILE A 68 8.335 -17.199 -7.362 1.00 13.04 H new ATOM 0 HB ILE A 68 7.054 -14.630 -8.387 1.00 15.22 H new ATOM 0 HG12 ILE A 68 5.225 -15.788 -6.735 1.00 61.44 H new ATOM 0 HG13 ILE A 68 6.704 -16.280 -5.935 1.00 61.44 H new ATOM 0 HG21 ILE A 68 5.173 -16.083 -9.035 1.00 2.05 H new ATOM 0 HG22 ILE A 68 6.668 -16.519 -9.897 1.00 2.05 H new ATOM 0 HG23 ILE A 68 6.107 -17.512 -8.531 1.00 2.05 H new ATOM 0 HD11 ILE A 68 5.866 -14.178 -5.010 1.00 40.41 H new ATOM 0 HD12 ILE A 68 7.436 -13.927 -5.809 1.00 40.41 H new ATOM 0 HD13 ILE A 68 5.934 -13.426 -6.622 1.00 40.41 H new ATOM 1066 N ASN A 69 9.033 -17.474 -9.759 1.00 22.41 N ATOM 1067 CA ASN A 69 9.635 -17.690 -11.070 1.00 1.22 C ATOM 1068 C ASN A 69 8.710 -17.200 -12.180 1.00 3.00 C ATOM 1069 O ASN A 69 7.546 -17.591 -12.249 1.00 55.11 O ATOM 1070 CB ASN A 69 9.951 -19.173 -11.271 1.00 62.14 C ATOM 1071 CG ASN A 69 8.699 -20.019 -11.401 1.00 41.31 C ATOM 1072 OD1 ASN A 69 8.182 -20.217 -12.500 1.00 72.24 O ATOM 1073 ND2 ASN A 69 8.206 -20.521 -10.275 1.00 74.43 N ATOM 0 H ASN A 69 8.593 -18.301 -9.356 1.00 22.41 H new ATOM 0 HA ASN A 69 10.562 -17.119 -11.115 1.00 1.22 H new ATOM 0 HB2 ASN A 69 10.562 -19.293 -12.166 1.00 62.14 H new ATOM 0 HB3 ASN A 69 10.543 -19.533 -10.430 1.00 62.14 H new ATOM 0 HD21 ASN A 69 7.365 -21.097 -10.299 1.00 74.43 H new ATOM 0 HD22 ASN A 69 8.669 -20.330 -9.386 1.00 74.43 H new ATOM 1080 N ALA A 70 9.238 -16.342 -13.047 1.00 64.31 N ATOM 1081 CA ALA A 70 8.462 -15.801 -14.156 1.00 31.15 C ATOM 1082 C ALA A 70 8.749 -16.558 -15.448 1.00 11.20 C ATOM 1083 O ALA A 70 8.697 -15.987 -16.537 1.00 53.24 O ATOM 1084 CB ALA A 70 8.757 -14.319 -14.333 1.00 20.03 C ATOM 0 H ALA A 70 10.200 -16.007 -13.003 1.00 64.31 H new ATOM 0 HA ALA A 70 7.405 -15.924 -13.921 1.00 31.15 H new ATOM 0 HB1 ALA A 70 8.171 -13.928 -15.165 1.00 20.03 H new ATOM 0 HB2 ALA A 70 8.494 -13.784 -13.420 1.00 20.03 H new ATOM 0 HB3 ALA A 70 9.818 -14.182 -14.541 1.00 20.03 H new ATOM 1090 N ARG A 71 9.053 -17.845 -15.319 1.00 74.24 N ATOM 1091 CA ARG A 71 9.350 -18.679 -16.478 1.00 31.44 C ATOM 1092 C ARG A 71 8.117 -18.843 -17.361 1.00 15.30 C ATOM 1093 O ARG A 71 8.221 -18.897 -18.586 1.00 11.05 O ATOM 1094 CB ARG A 71 9.854 -20.052 -16.028 1.00 71.12 C ATOM 1095 CG ARG A 71 11.329 -20.069 -15.661 1.00 73.20 C ATOM 1096 CD ARG A 71 11.791 -21.466 -15.275 1.00 54.33 C ATOM 1097 NE ARG A 71 11.690 -22.403 -16.391 1.00 4.02 N ATOM 1098 CZ ARG A 71 12.049 -23.680 -16.312 1.00 55.24 C ATOM 1099 NH1 ARG A 71 12.527 -24.169 -15.177 1.00 4.21 N ATOM 1100 NH2 ARG A 71 11.927 -24.470 -17.371 1.00 64.32 N ATOM 0 H ARG A 71 9.100 -18.333 -14.425 1.00 74.24 H new ATOM 0 HA ARG A 71 10.129 -18.185 -17.060 1.00 31.44 H new ATOM 0 HB2 ARG A 71 9.270 -20.380 -15.168 1.00 71.12 H new ATOM 0 HB3 ARG A 71 9.678 -20.774 -16.826 1.00 71.12 H new ATOM 0 HG2 ARG A 71 11.919 -19.709 -16.504 1.00 73.20 H new ATOM 0 HG3 ARG A 71 11.507 -19.384 -14.832 1.00 73.20 H new ATOM 0 HD2 ARG A 71 12.824 -21.424 -14.929 1.00 54.33 H new ATOM 0 HD3 ARG A 71 11.190 -21.829 -14.441 1.00 54.33 H new ATOM 0 HE ARG A 71 11.324 -22.059 -17.279 1.00 4.02 H new ATOM 0 HH11 ARG A 71 12.620 -23.565 -14.361 1.00 4.21 H new ATOM 0 HH12 ARG A 71 12.802 -25.150 -15.120 1.00 4.21 H new ATOM 0 HH21 ARG A 71 11.558 -24.097 -18.246 1.00 64.32 H new ATOM 0 HH22 ARG A 71 12.203 -25.450 -17.310 1.00 64.32 H new ATOM 1114 N ASN A 72 6.949 -18.921 -16.730 1.00 43.11 N ATOM 1115 CA ASN A 72 5.696 -19.079 -17.459 1.00 31.23 C ATOM 1116 C ASN A 72 5.481 -17.922 -18.430 1.00 21.14 C ATOM 1117 O ASN A 72 5.006 -18.117 -19.549 1.00 2.43 O ATOM 1118 CB ASN A 72 4.521 -19.165 -16.482 1.00 4.42 C ATOM 1119 CG ASN A 72 4.261 -20.583 -16.014 1.00 31.35 C ATOM 1120 OD1 ASN A 72 4.949 -21.519 -16.420 1.00 65.31 O ATOM 1121 ND2 ASN A 72 3.262 -20.748 -15.154 1.00 61.51 N ATOM 0 H ASN A 72 6.845 -18.877 -15.716 1.00 43.11 H new ATOM 0 HA ASN A 72 5.752 -20.005 -18.032 1.00 31.23 H new ATOM 0 HB2 ASN A 72 4.723 -18.532 -15.618 1.00 4.42 H new ATOM 0 HB3 ASN A 72 3.624 -18.773 -16.962 1.00 4.42 H new ATOM 0 HD21 ASN A 72 3.039 -21.680 -14.804 1.00 61.51 H new ATOM 0 HD22 ASN A 72 2.718 -19.943 -14.844 1.00 61.51 H new ATOM 1128 N PHE A 73 5.835 -16.718 -17.994 1.00 12.45 N ATOM 1129 CA PHE A 73 5.681 -15.528 -18.823 1.00 73.54 C ATOM 1130 C PHE A 73 6.401 -15.699 -20.158 1.00 21.34 C ATOM 1131 O PHE A 73 5.935 -15.223 -21.194 1.00 31.05 O ATOM 1132 CB PHE A 73 6.221 -14.297 -18.093 1.00 64.40 C ATOM 1133 CG PHE A 73 5.355 -13.850 -16.950 1.00 64.03 C ATOM 1134 CD1 PHE A 73 5.557 -14.350 -15.674 1.00 10.11 C ATOM 1135 CD2 PHE A 73 4.339 -12.930 -17.153 1.00 4.14 C ATOM 1136 CE1 PHE A 73 4.762 -13.940 -14.620 1.00 21.11 C ATOM 1137 CE2 PHE A 73 3.542 -12.516 -16.103 1.00 33.14 C ATOM 1138 CZ PHE A 73 3.752 -13.023 -14.835 1.00 5.40 C ATOM 0 H PHE A 73 6.231 -16.540 -17.071 1.00 12.45 H new ATOM 0 HA PHE A 73 4.618 -15.387 -19.018 1.00 73.54 H new ATOM 0 HB2 PHE A 73 7.220 -14.517 -17.717 1.00 64.40 H new ATOM 0 HB3 PHE A 73 6.321 -13.477 -18.805 1.00 64.40 H new ATOM 0 HD1 PHE A 73 6.345 -15.068 -15.501 1.00 10.11 H new ATOM 0 HD2 PHE A 73 4.168 -12.532 -18.142 1.00 4.14 H new ATOM 0 HE1 PHE A 73 4.931 -14.336 -13.630 1.00 21.11 H new ATOM 0 HE2 PHE A 73 2.755 -11.796 -16.273 1.00 33.14 H new ATOM 0 HZ PHE A 73 3.128 -12.703 -14.014 1.00 5.40 H new ATOM 1148 N LEU A 74 7.540 -16.382 -20.125 1.00 5.54 N ATOM 1149 CA LEU A 74 8.327 -16.616 -21.331 1.00 2.24 C ATOM 1150 C LEU A 74 7.777 -17.801 -22.118 1.00 25.13 C ATOM 1151 O LEU A 74 7.807 -17.811 -23.349 1.00 1.12 O ATOM 1152 CB LEU A 74 9.792 -16.865 -20.967 1.00 70.53 C ATOM 1153 CG LEU A 74 10.829 -16.340 -21.960 1.00 51.44 C ATOM 1154 CD1 LEU A 74 10.805 -14.820 -22.002 1.00 43.41 C ATOM 1155 CD2 LEU A 74 12.218 -16.844 -21.598 1.00 2.53 C ATOM 0 H LEU A 74 7.939 -16.783 -19.277 1.00 5.54 H new ATOM 0 HA LEU A 74 8.261 -15.726 -21.957 1.00 2.24 H new ATOM 0 HB2 LEU A 74 9.986 -16.411 -19.995 1.00 70.53 H new ATOM 0 HB3 LEU A 74 9.940 -17.939 -20.852 1.00 70.53 H new ATOM 0 HG LEU A 74 10.576 -16.715 -22.952 1.00 51.44 H new ATOM 0 HD11 LEU A 74 11.550 -14.464 -22.714 1.00 43.41 H new ATOM 0 HD12 LEU A 74 9.816 -14.480 -22.310 1.00 43.41 H new ATOM 0 HD13 LEU A 74 11.032 -14.425 -21.012 1.00 43.41 H new ATOM 0 HD21 LEU A 74 12.943 -16.460 -22.316 1.00 2.53 H new ATOM 0 HD22 LEU A 74 12.481 -16.500 -20.598 1.00 2.53 H new ATOM 0 HD23 LEU A 74 12.227 -17.934 -21.621 1.00 2.53 H new ATOM 1207 N GLY A 78 0.654 -19.061 -17.978 1.00 70.11 N ATOM 1208 CA GLY A 78 -0.053 -19.427 -16.765 1.00 34.20 C ATOM 1209 C GLY A 78 0.068 -18.373 -15.682 1.00 60.15 C ATOM 1210 O GLY A 78 0.281 -18.696 -14.513 1.00 71.25 O ATOM 0 HA2 GLY A 78 -1.106 -19.586 -16.996 1.00 34.20 H new ATOM 0 HA3 GLY A 78 0.338 -20.373 -16.392 1.00 34.20 H new ATOM 1214 N ILE A 79 -0.066 -17.110 -16.072 1.00 3.35 N ATOM 1215 CA ILE A 79 0.031 -16.005 -15.125 1.00 61.23 C ATOM 1216 C ILE A 79 -0.974 -16.165 -13.990 1.00 1.34 C ATOM 1217 O ILE A 79 -0.695 -15.804 -12.847 1.00 15.33 O ATOM 1218 CB ILE A 79 -0.204 -14.649 -15.817 1.00 23.22 C ATOM 1219 CG1 ILE A 79 0.756 -14.481 -16.997 1.00 11.24 C ATOM 1220 CG2 ILE A 79 -0.034 -13.511 -14.822 1.00 3.20 C ATOM 1221 CD1 ILE A 79 0.579 -13.174 -17.737 1.00 43.23 C ATOM 0 H ILE A 79 -0.242 -16.826 -17.036 1.00 3.35 H new ATOM 0 HA ILE A 79 1.042 -16.025 -14.718 1.00 61.23 H new ATOM 0 HB ILE A 79 -1.225 -14.623 -16.198 1.00 23.22 H new ATOM 0 HG12 ILE A 79 1.781 -14.548 -16.633 1.00 11.24 H new ATOM 0 HG13 ILE A 79 0.611 -15.307 -17.694 1.00 11.24 H new ATOM 0 HG21 ILE A 79 -0.203 -12.559 -15.326 1.00 3.20 H new ATOM 0 HG22 ILE A 79 -0.754 -13.626 -14.012 1.00 3.20 H new ATOM 0 HG23 ILE A 79 0.977 -13.532 -14.415 1.00 3.20 H new ATOM 0 HD11 ILE A 79 1.292 -13.123 -18.560 1.00 43.23 H new ATOM 0 HD12 ILE A 79 -0.436 -13.113 -18.131 1.00 43.23 H new ATOM 0 HD13 ILE A 79 0.753 -12.343 -17.054 1.00 43.23 H new ATOM 1233 N GLU A 80 -2.143 -16.710 -14.313 1.00 4.51 N ATOM 1234 CA GLU A 80 -3.189 -16.918 -13.319 1.00 3.24 C ATOM 1235 C GLU A 80 -2.660 -17.720 -12.133 1.00 13.33 C ATOM 1236 O GLU A 80 -3.041 -17.477 -10.988 1.00 22.01 O ATOM 1237 CB GLU A 80 -4.383 -17.641 -13.946 1.00 4.33 C ATOM 1238 CG GLU A 80 -4.050 -19.031 -14.461 1.00 51.34 C ATOM 1239 CD GLU A 80 -5.073 -19.544 -15.456 1.00 34.44 C ATOM 1240 OE1 GLU A 80 -6.256 -19.673 -15.077 1.00 54.25 O ATOM 1241 OE2 GLU A 80 -4.690 -19.818 -16.613 1.00 13.44 O ATOM 0 H GLU A 80 -2.389 -17.015 -15.255 1.00 4.51 H new ATOM 0 HA GLU A 80 -3.513 -15.941 -12.960 1.00 3.24 H new ATOM 0 HB2 GLU A 80 -5.180 -17.718 -13.206 1.00 4.33 H new ATOM 0 HB3 GLU A 80 -4.769 -17.040 -14.769 1.00 4.33 H new ATOM 0 HG2 GLU A 80 -3.067 -19.014 -14.932 1.00 51.34 H new ATOM 0 HG3 GLU A 80 -3.989 -19.721 -13.620 1.00 51.34 H new ATOM 1248 N GLU A 81 -1.782 -18.676 -12.417 1.00 4.02 N ATOM 1249 CA GLU A 81 -1.202 -19.514 -11.374 1.00 32.41 C ATOM 1250 C GLU A 81 -0.131 -18.754 -10.598 1.00 25.54 C ATOM 1251 O GLU A 81 -0.016 -18.890 -9.379 1.00 23.30 O ATOM 1252 CB GLU A 81 -0.603 -20.783 -11.983 1.00 63.52 C ATOM 1253 CG GLU A 81 -1.544 -21.507 -12.931 1.00 73.11 C ATOM 1254 CD GLU A 81 -0.968 -22.814 -13.441 1.00 14.11 C ATOM 1255 OE1 GLU A 81 -1.114 -23.094 -14.649 1.00 62.22 O ATOM 1256 OE2 GLU A 81 -0.373 -23.556 -12.632 1.00 42.03 O ATOM 0 H GLU A 81 -1.457 -18.890 -13.360 1.00 4.02 H new ATOM 0 HA GLU A 81 -1.998 -19.792 -10.683 1.00 32.41 H new ATOM 0 HB2 GLU A 81 0.310 -20.523 -12.519 1.00 63.52 H new ATOM 0 HB3 GLU A 81 -0.318 -21.462 -11.179 1.00 63.52 H new ATOM 0 HG2 GLU A 81 -2.487 -21.705 -12.421 1.00 73.11 H new ATOM 0 HG3 GLU A 81 -1.770 -20.859 -13.778 1.00 73.11 H new ATOM 1263 N THR A 82 0.654 -17.954 -11.312 1.00 52.44 N ATOM 1264 CA THR A 82 1.717 -17.173 -10.693 1.00 22.23 C ATOM 1265 C THR A 82 1.146 -16.087 -9.789 1.00 5.53 C ATOM 1266 O THR A 82 1.446 -16.036 -8.596 1.00 20.04 O ATOM 1267 CB THR A 82 2.625 -16.520 -11.752 1.00 12.41 C ATOM 1268 OG1 THR A 82 3.217 -17.528 -12.579 1.00 52.50 O ATOM 1269 CG2 THR A 82 3.717 -15.692 -11.092 1.00 42.21 C ATOM 0 H THR A 82 0.573 -17.830 -12.321 1.00 52.44 H new ATOM 0 HA THR A 82 2.310 -17.865 -10.095 1.00 22.23 H new ATOM 0 HB THR A 82 2.013 -15.860 -12.367 1.00 12.41 H new ATOM 0 HG1 THR A 82 3.791 -17.104 -13.251 1.00 52.50 H new ATOM 0 HG21 THR A 82 4.346 -15.241 -11.860 1.00 42.21 H new ATOM 0 HG22 THR A 82 3.263 -14.907 -10.487 1.00 42.21 H new ATOM 0 HG23 THR A 82 4.326 -16.334 -10.456 1.00 42.21 H new ATOM 1277 N LYS A 83 0.322 -15.218 -10.364 1.00 12.12 N ATOM 1278 CA LYS A 83 -0.294 -14.132 -9.610 1.00 24.10 C ATOM 1279 C LYS A 83 -0.978 -14.661 -8.354 1.00 23.45 C ATOM 1280 O LYS A 83 -0.979 -14.003 -7.314 1.00 30.55 O ATOM 1281 CB LYS A 83 -1.309 -13.390 -10.482 1.00 2.31 C ATOM 1282 CG LYS A 83 -1.508 -11.938 -10.082 1.00 31.14 C ATOM 1283 CD LYS A 83 -0.342 -11.072 -10.526 1.00 45.11 C ATOM 1284 CE LYS A 83 -0.526 -9.625 -10.095 1.00 42.12 C ATOM 1285 NZ LYS A 83 0.760 -9.004 -9.672 1.00 31.21 N ATOM 0 H LYS A 83 0.065 -15.244 -11.351 1.00 12.12 H new ATOM 0 HA LYS A 83 0.493 -13.440 -9.310 1.00 24.10 H new ATOM 0 HB2 LYS A 83 -0.981 -13.430 -11.521 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -2.267 -13.907 -10.430 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -2.431 -11.561 -10.523 1.00 31.14 H new ATOM 0 HG3 LYS A 83 -1.621 -11.870 -9.000 1.00 31.14 H new ATOM 0 HD2 LYS A 83 0.584 -11.463 -10.105 1.00 45.11 H new ATOM 0 HD3 LYS A 83 -0.244 -11.120 -11.611 1.00 45.11 H new ATOM 0 HE2 LYS A 83 -0.952 -9.052 -10.919 1.00 42.12 H new ATOM 0 HE3 LYS A 83 -1.239 -9.579 -9.272 1.00 42.12 H new ATOM 0 HZ1 LYS A 83 0.692 -7.970 -9.761 1.00 31.21 H new ATOM 0 HZ2 LYS A 83 0.957 -9.254 -8.682 1.00 31.21 H new ATOM 0 HZ3 LYS A 83 1.530 -9.353 -10.278 1.00 31.21 H new ATOM 1299 N GLN A 84 -1.556 -15.853 -8.458 1.00 32.42 N ATOM 1300 CA GLN A 84 -2.242 -16.470 -7.329 1.00 35.22 C ATOM 1301 C GLN A 84 -1.346 -16.497 -6.095 1.00 41.03 C ATOM 1302 O GLN A 84 -1.822 -16.365 -4.968 1.00 60.12 O ATOM 1303 CB GLN A 84 -2.681 -17.891 -7.686 1.00 70.50 C ATOM 1304 CG GLN A 84 -4.128 -17.985 -8.142 1.00 71.11 C ATOM 1305 CD GLN A 84 -4.457 -19.326 -8.769 1.00 42.41 C ATOM 1306 OE1 GLN A 84 -4.934 -19.394 -9.902 1.00 53.41 O ATOM 1307 NE2 GLN A 84 -4.202 -20.402 -8.034 1.00 13.30 N ATOM 0 H GLN A 84 -1.563 -16.411 -9.312 1.00 32.42 H new ATOM 0 HA GLN A 84 -3.124 -15.871 -7.102 1.00 35.22 H new ATOM 0 HB2 GLN A 84 -2.035 -18.274 -8.475 1.00 70.50 H new ATOM 0 HB3 GLN A 84 -2.540 -18.535 -6.818 1.00 70.50 H new ATOM 0 HG2 GLN A 84 -4.785 -17.816 -7.289 1.00 71.11 H new ATOM 0 HG3 GLN A 84 -4.330 -17.192 -8.862 1.00 71.11 H new ATOM 0 HE21 GLN A 84 -3.806 -20.299 -7.100 1.00 13.30 H new ATOM 0 HE22 GLN A 84 -4.402 -21.331 -8.404 1.00 13.30 H new ATOM 1316 N GLN A 85 -0.047 -16.669 -6.318 1.00 2.13 N ATOM 1317 CA GLN A 85 0.916 -16.714 -5.223 1.00 54.03 C ATOM 1318 C GLN A 85 1.270 -15.308 -4.752 1.00 12.54 C ATOM 1319 O GLN A 85 1.306 -15.036 -3.551 1.00 53.11 O ATOM 1320 CB GLN A 85 2.182 -17.452 -5.660 1.00 61.30 C ATOM 1321 CG GLN A 85 1.906 -18.778 -6.351 1.00 31.14 C ATOM 1322 CD GLN A 85 1.012 -19.688 -5.531 1.00 51.23 C ATOM 1323 OE1 GLN A 85 1.424 -20.215 -4.498 1.00 32.33 O ATOM 1324 NE2 GLN A 85 -0.220 -19.876 -5.989 1.00 72.42 N ATOM 0 H GLN A 85 0.363 -16.779 -7.246 1.00 2.13 H new ATOM 0 HA GLN A 85 0.459 -17.251 -4.392 1.00 54.03 H new ATOM 0 HB2 GLN A 85 2.751 -16.812 -6.334 1.00 61.30 H new ATOM 0 HB3 GLN A 85 2.808 -17.631 -4.786 1.00 61.30 H new ATOM 0 HG2 GLN A 85 1.438 -18.589 -7.317 1.00 31.14 H new ATOM 0 HG3 GLN A 85 2.851 -19.284 -6.548 1.00 31.14 H new ATOM 0 HE21 GLN A 85 -0.519 -19.419 -6.850 1.00 72.42 H new ATOM 0 HE22 GLN A 85 -0.867 -20.478 -5.480 1.00 72.42 H new ATOM 1333 N ILE A 86 1.531 -14.418 -5.703 1.00 51.13 N ATOM 1334 CA ILE A 86 1.882 -13.039 -5.384 1.00 75.55 C ATOM 1335 C ILE A 86 0.765 -12.355 -4.604 1.00 11.24 C ATOM 1336 O ILE A 86 0.991 -11.814 -3.520 1.00 62.02 O ATOM 1337 CB ILE A 86 2.177 -12.225 -6.658 1.00 14.33 C ATOM 1338 CG1 ILE A 86 3.338 -12.851 -7.433 1.00 34.13 C ATOM 1339 CG2 ILE A 86 2.489 -10.779 -6.301 1.00 24.22 C ATOM 1340 CD1 ILE A 86 3.026 -13.099 -8.892 1.00 31.41 C ATOM 0 H ILE A 86 1.506 -14.627 -6.701 1.00 51.13 H new ATOM 0 HA ILE A 86 2.782 -13.075 -4.769 1.00 75.55 H new ATOM 0 HB ILE A 86 1.292 -12.239 -7.294 1.00 14.33 H new ATOM 0 HG12 ILE A 86 4.207 -12.197 -7.362 1.00 34.13 H new ATOM 0 HG13 ILE A 86 3.611 -13.796 -6.962 1.00 34.13 H new ATOM 0 HG21 ILE A 86 2.695 -10.216 -7.211 1.00 24.22 H new ATOM 0 HG22 ILE A 86 1.634 -10.338 -5.788 1.00 24.22 H new ATOM 0 HG23 ILE A 86 3.361 -10.745 -5.648 1.00 24.22 H new ATOM 0 HD11 ILE A 86 3.894 -13.544 -9.379 1.00 31.41 H new ATOM 0 HD12 ILE A 86 2.177 -13.778 -8.972 1.00 31.41 H new ATOM 0 HD13 ILE A 86 2.782 -12.154 -9.378 1.00 31.41 H new ATOM 1352 N LEU A 87 -0.441 -12.383 -5.159 1.00 73.04 N ATOM 1353 CA LEU A 87 -1.595 -11.767 -4.514 1.00 55.43 C ATOM 1354 C LEU A 87 -1.736 -12.248 -3.074 1.00 3.12 C ATOM 1355 O LEU A 87 -2.231 -11.523 -2.210 1.00 43.32 O ATOM 1356 CB LEU A 87 -2.871 -12.084 -5.296 1.00 53.45 C ATOM 1357 CG LEU A 87 -4.075 -11.184 -5.011 1.00 24.42 C ATOM 1358 CD1 LEU A 87 -3.839 -9.786 -5.561 1.00 23.34 C ATOM 1359 CD2 LEU A 87 -5.342 -11.785 -5.602 1.00 24.20 C ATOM 0 H LEU A 87 -0.646 -12.826 -6.055 1.00 73.04 H new ATOM 0 HA LEU A 87 -1.440 -10.688 -4.504 1.00 55.43 H new ATOM 0 HB2 LEU A 87 -2.644 -12.027 -6.361 1.00 53.45 H new ATOM 0 HB3 LEU A 87 -3.156 -13.115 -5.085 1.00 53.45 H new ATOM 0 HG LEU A 87 -4.201 -11.110 -3.931 1.00 24.42 H new ATOM 0 HD11 LEU A 87 -4.706 -9.160 -5.349 1.00 23.34 H new ATOM 0 HD12 LEU A 87 -2.956 -9.354 -5.090 1.00 23.34 H new ATOM 0 HD13 LEU A 87 -3.686 -9.840 -6.639 1.00 23.34 H new ATOM 0 HD21 LEU A 87 -6.188 -11.131 -5.390 1.00 24.20 H new ATOM 0 HD22 LEU A 87 -5.226 -11.890 -6.681 1.00 24.20 H new ATOM 0 HD23 LEU A 87 -5.521 -12.765 -5.160 1.00 24.20 H new ATOM 1371 N THR A 88 -1.295 -13.476 -2.820 1.00 23.21 N ATOM 1372 CA THR A 88 -1.370 -14.054 -1.484 1.00 62.42 C ATOM 1373 C THR A 88 -0.808 -13.098 -0.439 1.00 24.03 C ATOM 1374 O THR A 88 -1.244 -13.097 0.712 1.00 44.20 O ATOM 1375 CB THR A 88 -0.605 -15.389 -1.406 1.00 73.41 C ATOM 1376 OG1 THR A 88 -0.935 -16.209 -2.533 1.00 33.54 O ATOM 1377 CG2 THR A 88 -0.938 -16.129 -0.119 1.00 41.01 C ATOM 0 H THR A 88 -0.882 -14.090 -3.522 1.00 23.21 H new ATOM 0 HA THR A 88 -2.425 -14.235 -1.277 1.00 62.42 H new ATOM 0 HB THR A 88 0.463 -15.172 -1.415 1.00 73.41 H new ATOM 0 HG1 THR A 88 -1.596 -15.748 -3.091 1.00 33.54 H new ATOM 0 HG21 THR A 88 -0.386 -17.068 -0.086 1.00 41.01 H new ATOM 0 HG22 THR A 88 -0.659 -15.514 0.737 1.00 41.01 H new ATOM 0 HG23 THR A 88 -2.008 -16.335 -0.084 1.00 41.01 H new ATOM 1385 N GLU A 89 0.162 -12.285 -0.847 1.00 71.31 N ATOM 1386 CA GLU A 89 0.783 -11.324 0.056 1.00 1.03 C ATOM 1387 C GLU A 89 0.594 -9.898 -0.453 1.00 10.11 C ATOM 1388 O GLU A 89 0.531 -8.950 0.331 1.00 44.31 O ATOM 1389 CB GLU A 89 2.275 -11.628 0.213 1.00 54.31 C ATOM 1390 CG GLU A 89 3.000 -11.812 -1.109 1.00 62.23 C ATOM 1391 CD GLU A 89 4.413 -12.334 -0.932 1.00 10.44 C ATOM 1392 OE1 GLU A 89 5.250 -11.597 -0.370 1.00 3.43 O ATOM 1393 OE2 GLU A 89 4.681 -13.477 -1.354 1.00 65.42 O ATOM 0 H GLU A 89 0.534 -12.273 -1.797 1.00 71.31 H new ATOM 0 HA GLU A 89 0.298 -11.412 1.028 1.00 1.03 H new ATOM 0 HB2 GLU A 89 2.747 -10.816 0.767 1.00 54.31 H new ATOM 0 HB3 GLU A 89 2.392 -12.532 0.811 1.00 54.31 H new ATOM 0 HG2 GLU A 89 2.437 -12.504 -1.735 1.00 62.23 H new ATOM 0 HG3 GLU A 89 3.032 -10.859 -1.637 1.00 62.23 H new ATOM 1400 N LEU A 90 0.504 -9.754 -1.770 1.00 43.34 N ATOM 1401 CA LEU A 90 0.323 -8.444 -2.386 1.00 52.31 C ATOM 1402 C LEU A 90 -0.807 -7.675 -1.708 1.00 71.33 C ATOM 1403 O LEU A 90 -0.666 -6.493 -1.398 1.00 14.23 O ATOM 1404 CB LEU A 90 0.027 -8.597 -3.879 1.00 50.41 C ATOM 1405 CG LEU A 90 0.801 -7.668 -4.815 1.00 53.43 C ATOM 1406 CD1 LEU A 90 0.543 -6.212 -4.456 1.00 24.52 C ATOM 1407 CD2 LEU A 90 2.290 -7.977 -4.762 1.00 52.43 C ATOM 0 H LEU A 90 0.553 -10.528 -2.432 1.00 43.34 H new ATOM 0 HA LEU A 90 1.247 -7.880 -2.261 1.00 52.31 H new ATOM 0 HB2 LEU A 90 0.237 -9.627 -4.167 1.00 50.41 H new ATOM 0 HB3 LEU A 90 -1.039 -8.433 -4.036 1.00 50.41 H new ATOM 0 HG LEU A 90 0.452 -7.837 -5.834 1.00 53.43 H new ATOM 0 HD11 LEU A 90 1.102 -5.566 -5.133 1.00 24.52 H new ATOM 0 HD12 LEU A 90 -0.522 -5.998 -4.547 1.00 24.52 H new ATOM 0 HD13 LEU A 90 0.864 -6.028 -3.431 1.00 24.52 H new ATOM 0 HD21 LEU A 90 2.825 -7.306 -5.434 1.00 52.43 H new ATOM 0 HD22 LEU A 90 2.655 -7.837 -3.744 1.00 52.43 H new ATOM 0 HD23 LEU A 90 2.459 -9.009 -5.069 1.00 52.43 H new ATOM 1419 N GLN A 91 -1.925 -8.356 -1.480 1.00 75.35 N ATOM 1420 CA GLN A 91 -3.079 -7.737 -0.838 1.00 23.33 C ATOM 1421 C GLN A 91 -3.382 -8.408 0.498 1.00 55.20 C ATOM 1422 O GLN A 91 -3.689 -7.739 1.485 1.00 33.12 O ATOM 1423 CB GLN A 91 -4.302 -7.817 -1.752 1.00 35.11 C ATOM 1424 CG GLN A 91 -4.676 -9.237 -2.147 1.00 4.15 C ATOM 1425 CD GLN A 91 -5.733 -9.836 -1.240 1.00 54.45 C ATOM 1426 OE1 GLN A 91 -6.573 -9.122 -0.691 1.00 51.22 O ATOM 1427 NE2 GLN A 91 -5.698 -11.153 -1.079 1.00 75.24 N ATOM 0 H GLN A 91 -2.057 -9.336 -1.730 1.00 75.35 H new ATOM 0 HA GLN A 91 -2.842 -6.689 -0.653 1.00 23.33 H new ATOM 0 HB2 GLN A 91 -5.151 -7.353 -1.250 1.00 35.11 H new ATOM 0 HB3 GLN A 91 -4.109 -7.237 -2.654 1.00 35.11 H new ATOM 0 HG2 GLN A 91 -5.040 -9.240 -3.174 1.00 4.15 H new ATOM 0 HG3 GLN A 91 -3.784 -9.864 -2.123 1.00 4.15 H new ATOM 0 HE21 GLN A 91 -4.984 -11.706 -1.553 1.00 75.24 H new ATOM 0 HE22 GLN A 91 -6.385 -11.612 -0.481 1.00 75.24 H new ATOM 1436 N LYS A 92 -3.295 -9.733 0.522 1.00 35.41 N ATOM 1437 CA LYS A 92 -3.560 -10.496 1.736 1.00 21.04 C ATOM 1438 C LYS A 92 -2.391 -10.389 2.711 1.00 35.51 C ATOM 1439 O LYS A 92 -2.588 -10.311 3.924 1.00 4.11 O ATOM 1440 CB LYS A 92 -3.820 -11.965 1.394 1.00 12.23 C ATOM 1441 CG LYS A 92 -5.217 -12.436 1.759 1.00 54.21 C ATOM 1442 CD LYS A 92 -5.178 -13.560 2.780 1.00 31.22 C ATOM 1443 CE LYS A 92 -4.563 -14.823 2.196 1.00 51.31 C ATOM 1444 NZ LYS A 92 -4.005 -15.709 3.254 1.00 10.05 N ATOM 0 H LYS A 92 -3.043 -10.302 -0.286 1.00 35.41 H new ATOM 0 HA LYS A 92 -4.447 -10.078 2.212 1.00 21.04 H new ATOM 0 HB2 LYS A 92 -3.663 -12.114 0.326 1.00 12.23 H new ATOM 0 HB3 LYS A 92 -3.089 -12.585 1.913 1.00 12.23 H new ATOM 0 HG2 LYS A 92 -5.791 -11.600 2.159 1.00 54.21 H new ATOM 0 HG3 LYS A 92 -5.733 -12.777 0.861 1.00 54.21 H new ATOM 0 HD2 LYS A 92 -4.603 -13.243 3.650 1.00 31.22 H new ATOM 0 HD3 LYS A 92 -6.189 -13.773 3.127 1.00 31.22 H new ATOM 0 HE2 LYS A 92 -5.319 -15.366 1.629 1.00 51.31 H new ATOM 0 HE3 LYS A 92 -3.773 -14.552 1.496 1.00 51.31 H new ATOM 0 HZ1 LYS A 92 -3.595 -16.558 2.815 1.00 10.05 H new ATOM 0 HZ2 LYS A 92 -3.266 -15.200 3.779 1.00 10.05 H new ATOM 0 HZ3 LYS A 92 -4.764 -15.989 3.908 1.00 10.05 H new