USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.186 (180deg=0.145) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.87) USER MOD Single : A 22 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.0988 (180deg=-0.464) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 34 ASN : amide:sc= -3.54! C(o=-3.5!,f=-9.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 38 LYS NZ :NH3+ 139:sc= -0.488 (180deg=-1.54) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0499 (180deg=-0.235) USER MOD Single : A 43 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.8!) USER MOD Single : A 44 TYR OH : rot 170:sc= 0.0862 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0628 K(o=-0.063,f=-1.2) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 170:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -2.18! C(o=-2.2!,f=-7.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= -1.84 (180deg=-3.82!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.21 USER MOD Single : A 92 SER OG : rot 60:sc= -1.77! USER MOD Single : A 93 ASN : amide:sc=-0.00169 X(o=-0.0017,f=-0.35) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.176 -25.524 17.187 1.00 3.10 N ATOM 2 CA MET A 1 5.928 -26.703 18.009 1.00 72.41 C ATOM 3 C MET A 1 4.449 -26.815 18.366 1.00 21.14 C ATOM 4 O MET A 1 3.916 -27.915 18.508 1.00 4.42 O ATOM 5 CB MET A 1 6.770 -26.650 19.284 1.00 41.51 C ATOM 6 CG MET A 1 8.211 -27.090 19.080 1.00 43.42 C ATOM 7 SD MET A 1 9.232 -25.804 18.335 1.00 1.24 S ATOM 8 CE MET A 1 10.765 -26.025 19.236 1.00 52.20 C ATOM 0 H1 MET A 1 7.186 -25.478 16.942 1.00 3.10 H new ATOM 0 H2 MET A 1 5.611 -25.583 16.316 1.00 3.10 H new ATOM 0 H3 MET A 1 5.908 -24.669 17.716 1.00 3.10 H new ATOM 0 HA MET A 1 6.212 -27.583 17.432 1.00 72.41 H new ATOM 0 HB2 MET A 1 6.761 -25.632 19.673 1.00 41.51 H new ATOM 0 HB3 MET A 1 6.309 -27.284 20.041 1.00 41.51 H new ATOM 0 HG2 MET A 1 8.639 -27.377 20.041 1.00 43.42 H new ATOM 0 HG3 MET A 1 8.230 -27.976 18.446 1.00 43.42 H new ATOM 0 HE1 MET A 1 11.500 -25.299 18.887 1.00 52.20 H new ATOM 0 HE2 MET A 1 10.586 -25.877 20.301 1.00 52.20 H new ATOM 0 HE3 MET A 1 11.143 -27.033 19.069 1.00 52.20 H new ATOM 18 N GLY A 2 3.792 -25.668 18.512 1.00 65.30 N ATOM 19 CA GLY A 2 2.382 -25.660 18.854 1.00 53.23 C ATOM 20 C GLY A 2 1.489 -25.680 17.628 1.00 72.40 C ATOM 21 O GLY A 2 1.683 -26.492 16.723 1.00 12.31 O ATOM 0 H GLY A 2 4.211 -24.745 18.400 1.00 65.30 H new ATOM 0 HA2 GLY A 2 2.157 -26.525 19.478 1.00 53.23 H new ATOM 0 HA3 GLY A 2 2.160 -24.773 19.447 1.00 53.23 H new ATOM 25 N LYS A 3 0.506 -24.787 17.600 1.00 51.43 N ATOM 26 CA LYS A 3 -0.421 -24.705 16.476 1.00 21.04 C ATOM 27 C LYS A 3 0.190 -23.917 15.322 1.00 4.23 C ATOM 28 O LYS A 3 0.681 -22.802 15.510 1.00 72.31 O ATOM 29 CB LYS A 3 -1.732 -24.050 16.918 1.00 63.11 C ATOM 30 CG LYS A 3 -2.829 -24.120 15.870 1.00 11.45 C ATOM 31 CD LYS A 3 -3.476 -25.494 15.830 1.00 45.10 C ATOM 32 CE LYS A 3 -4.360 -25.658 14.604 1.00 64.44 C ATOM 33 NZ LYS A 3 -5.664 -24.956 14.761 1.00 25.04 N ATOM 0 H LYS A 3 0.330 -24.110 18.342 1.00 51.43 H new ATOM 0 HA LYS A 3 -0.626 -25.719 16.131 1.00 21.04 H new ATOM 0 HB2 LYS A 3 -2.081 -24.534 17.830 1.00 63.11 H new ATOM 0 HB3 LYS A 3 -1.542 -23.005 17.164 1.00 63.11 H new ATOM 0 HG2 LYS A 3 -3.587 -23.366 16.084 1.00 11.45 H new ATOM 0 HG3 LYS A 3 -2.413 -23.884 14.890 1.00 11.45 H new ATOM 0 HD2 LYS A 3 -2.702 -26.262 15.827 1.00 45.10 H new ATOM 0 HD3 LYS A 3 -4.071 -25.644 16.731 1.00 45.10 H new ATOM 0 HE2 LYS A 3 -3.841 -25.269 13.728 1.00 64.44 H new ATOM 0 HE3 LYS A 3 -4.538 -26.718 14.424 1.00 64.44 H new ATOM 0 HZ1 LYS A 3 -6.237 -25.092 13.904 1.00 25.04 H new ATOM 0 HZ2 LYS A 3 -6.171 -25.345 15.582 1.00 25.04 H new ATOM 0 HZ3 LYS A 3 -5.496 -23.940 14.907 1.00 25.04 H new ATOM 47 N LEU A 4 0.156 -24.501 14.130 1.00 2.35 N ATOM 48 CA LEU A 4 0.705 -23.851 12.945 1.00 75.13 C ATOM 49 C LEU A 4 -0.327 -22.931 12.300 1.00 32.41 C ATOM 50 O LEU A 4 -1.438 -23.354 11.978 1.00 22.51 O ATOM 51 CB LEU A 4 1.171 -24.900 11.934 1.00 23.41 C ATOM 52 CG LEU A 4 2.600 -25.415 12.112 1.00 63.41 C ATOM 53 CD1 LEU A 4 3.599 -24.278 11.967 1.00 54.44 C ATOM 54 CD2 LEU A 4 2.757 -26.097 13.463 1.00 4.31 C ATOM 0 H LEU A 4 -0.246 -25.423 13.958 1.00 2.35 H new ATOM 0 HA LEU A 4 1.559 -23.248 13.255 1.00 75.13 H new ATOM 0 HB2 LEU A 4 0.491 -25.750 11.983 1.00 23.41 H new ATOM 0 HB3 LEU A 4 1.081 -24.477 10.934 1.00 23.41 H new ATOM 0 HG LEU A 4 2.801 -26.149 11.332 1.00 63.41 H new ATOM 0 HD11 LEU A 4 4.610 -24.663 12.097 1.00 54.44 H new ATOM 0 HD12 LEU A 4 3.504 -23.834 10.976 1.00 54.44 H new ATOM 0 HD13 LEU A 4 3.400 -23.520 12.724 1.00 54.44 H new ATOM 0 HD21 LEU A 4 3.780 -26.457 13.572 1.00 4.31 H new ATOM 0 HD22 LEU A 4 2.536 -25.385 14.258 1.00 4.31 H new ATOM 0 HD23 LEU A 4 2.067 -26.939 13.528 1.00 4.31 H new ATOM 66 N LYS A 5 0.048 -21.671 12.111 1.00 30.01 N ATOM 67 CA LYS A 5 -0.843 -20.690 11.502 1.00 50.04 C ATOM 68 C LYS A 5 -0.483 -20.465 10.037 1.00 71.15 C ATOM 69 O LYS A 5 -1.118 -19.667 9.347 1.00 24.00 O ATOM 70 CB LYS A 5 -0.774 -19.365 12.264 1.00 54.33 C ATOM 71 CG LYS A 5 -0.920 -19.521 13.768 1.00 12.41 C ATOM 72 CD LYS A 5 -1.099 -18.175 14.453 1.00 72.34 C ATOM 73 CE LYS A 5 0.187 -17.363 14.430 1.00 55.35 C ATOM 74 NZ LYS A 5 0.049 -16.086 15.183 1.00 3.01 N ATOM 0 H LYS A 5 0.964 -21.304 12.371 1.00 30.01 H new ATOM 0 HA LYS A 5 -1.860 -21.079 11.553 1.00 50.04 H new ATOM 0 HB2 LYS A 5 0.178 -18.880 12.048 1.00 54.33 H new ATOM 0 HB3 LYS A 5 -1.559 -18.703 11.898 1.00 54.33 H new ATOM 0 HG2 LYS A 5 -1.776 -20.159 13.987 1.00 12.41 H new ATOM 0 HG3 LYS A 5 -0.039 -20.021 14.170 1.00 12.41 H new ATOM 0 HD2 LYS A 5 -1.893 -17.616 13.957 1.00 72.34 H new ATOM 0 HD3 LYS A 5 -1.415 -18.330 15.485 1.00 72.34 H new ATOM 0 HE2 LYS A 5 0.997 -17.953 14.860 1.00 55.35 H new ATOM 0 HE3 LYS A 5 0.463 -17.148 13.398 1.00 55.35 H new ATOM 0 HZ1 LYS A 5 0.946 -15.561 15.144 1.00 3.01 H new ATOM 0 HZ2 LYS A 5 -0.707 -15.512 14.757 1.00 3.01 H new ATOM 0 HZ3 LYS A 5 -0.189 -16.292 16.174 1.00 3.01 H new ATOM 88 N TRP A 6 0.538 -21.174 9.567 1.00 34.24 N ATOM 89 CA TRP A 6 0.981 -21.052 8.183 1.00 15.50 C ATOM 90 C TRP A 6 1.223 -19.592 7.816 1.00 30.31 C ATOM 91 O TRP A 6 0.600 -19.061 6.896 1.00 34.22 O ATOM 92 CB TRP A 6 -0.055 -21.663 7.239 1.00 14.11 C ATOM 93 CG TRP A 6 -0.087 -23.160 7.280 1.00 62.41 C ATOM 94 CD1 TRP A 6 -1.096 -23.947 7.760 1.00 3.32 C ATOM 95 CD2 TRP A 6 0.937 -24.053 6.827 1.00 53.51 C ATOM 96 NE1 TRP A 6 -0.761 -25.273 7.632 1.00 42.31 N ATOM 97 CE2 TRP A 6 0.481 -25.364 7.061 1.00 73.34 C ATOM 98 CE3 TRP A 6 2.194 -23.871 6.243 1.00 14.24 C ATOM 99 CZ2 TRP A 6 1.240 -26.485 6.733 1.00 73.30 C ATOM 100 CZ3 TRP A 6 2.945 -24.984 5.919 1.00 13.53 C ATOM 101 CH2 TRP A 6 2.466 -26.277 6.163 1.00 70.22 C ATOM 0 H TRP A 6 1.074 -21.839 10.124 1.00 34.24 H new ATOM 0 HA TRP A 6 1.921 -21.594 8.079 1.00 15.50 H new ATOM 0 HB2 TRP A 6 -1.042 -21.279 7.497 1.00 14.11 H new ATOM 0 HB3 TRP A 6 0.157 -21.339 6.220 1.00 14.11 H new ATOM 0 HD1 TRP A 6 -2.021 -23.580 8.179 1.00 3.32 H new ATOM 0 HE1 TRP A 6 -1.342 -26.062 7.916 1.00 42.31 H new ATOM 0 HE3 TRP A 6 2.571 -22.878 6.049 1.00 14.24 H new ATOM 0 HZ2 TRP A 6 0.873 -27.483 6.922 1.00 73.30 H new ATOM 0 HZ3 TRP A 6 3.919 -24.855 5.470 1.00 13.53 H new ATOM 0 HH2 TRP A 6 3.077 -27.127 5.896 1.00 70.22 H new ATOM 112 N PHE A 7 2.132 -18.947 8.540 1.00 40.11 N ATOM 113 CA PHE A 7 2.456 -17.548 8.289 1.00 14.35 C ATOM 114 C PHE A 7 3.878 -17.230 8.741 1.00 13.43 C ATOM 115 O PHE A 7 4.187 -17.272 9.933 1.00 74.24 O ATOM 116 CB PHE A 7 1.463 -16.636 9.012 1.00 15.24 C ATOM 117 CG PHE A 7 1.835 -15.181 8.956 1.00 12.14 C ATOM 118 CD1 PHE A 7 1.490 -14.406 7.861 1.00 32.44 C ATOM 119 CD2 PHE A 7 2.528 -14.590 9.999 1.00 3.53 C ATOM 120 CE1 PHE A 7 1.831 -13.068 7.808 1.00 55.41 C ATOM 121 CE2 PHE A 7 2.872 -13.252 9.951 1.00 3.43 C ATOM 122 CZ PHE A 7 2.522 -12.489 8.854 1.00 64.31 C ATOM 0 H PHE A 7 2.657 -19.371 9.305 1.00 40.11 H new ATOM 0 HA PHE A 7 2.387 -17.371 7.216 1.00 14.35 H new ATOM 0 HB2 PHE A 7 0.474 -16.767 8.572 1.00 15.24 H new ATOM 0 HB3 PHE A 7 1.391 -16.945 10.055 1.00 15.24 H new ATOM 0 HD1 PHE A 7 0.949 -14.852 7.040 1.00 32.44 H new ATOM 0 HD2 PHE A 7 2.803 -15.181 10.860 1.00 3.53 H new ATOM 0 HE1 PHE A 7 1.557 -12.475 6.948 1.00 55.41 H new ATOM 0 HE2 PHE A 7 3.414 -12.804 10.771 1.00 3.43 H new ATOM 0 HZ PHE A 7 2.788 -11.443 8.815 1.00 64.31 H new ATOM 132 N SER A 8 4.740 -16.911 7.781 1.00 2.24 N ATOM 133 CA SER A 8 6.131 -16.589 8.079 1.00 43.45 C ATOM 134 C SER A 8 6.865 -16.135 6.820 1.00 4.25 C ATOM 135 O SER A 8 6.722 -16.734 5.755 1.00 41.50 O ATOM 136 CB SER A 8 6.839 -17.803 8.686 1.00 51.44 C ATOM 137 OG SER A 8 6.348 -19.010 8.130 1.00 14.11 O ATOM 0 H SER A 8 4.500 -16.869 6.791 1.00 2.24 H new ATOM 0 HA SER A 8 6.143 -15.772 8.800 1.00 43.45 H new ATOM 0 HB2 SER A 8 7.912 -17.728 8.510 1.00 51.44 H new ATOM 0 HB3 SER A 8 6.693 -17.811 9.766 1.00 51.44 H new ATOM 0 HG SER A 8 6.817 -19.770 8.533 1.00 14.11 H new ATOM 143 N GLY A 9 7.652 -15.072 6.954 1.00 41.54 N ATOM 144 CA GLY A 9 8.398 -14.554 5.821 1.00 34.10 C ATOM 145 C GLY A 9 8.476 -13.040 5.822 1.00 63.31 C ATOM 146 O GLY A 9 7.469 -12.359 6.007 1.00 54.25 O ATOM 0 H GLY A 9 7.787 -14.560 7.826 1.00 41.54 H new ATOM 0 HA2 GLY A 9 9.407 -14.967 5.835 1.00 34.10 H new ATOM 0 HA3 GLY A 9 7.929 -14.890 4.896 1.00 34.10 H new ATOM 150 N GLY A 10 9.679 -12.512 5.617 1.00 53.32 N ATOM 151 CA GLY A 10 9.864 -11.072 5.601 1.00 71.44 C ATOM 152 C GLY A 10 10.386 -10.540 6.920 1.00 11.34 C ATOM 153 O GLY A 10 9.640 -9.939 7.694 1.00 2.43 O ATOM 0 H GLY A 10 10.528 -13.055 5.462 1.00 53.32 H new ATOM 0 HA2 GLY A 10 10.560 -10.807 4.805 1.00 71.44 H new ATOM 0 HA3 GLY A 10 8.915 -10.589 5.368 1.00 71.44 H new ATOM 157 N LYS A 11 11.670 -10.762 7.180 1.00 60.11 N ATOM 158 CA LYS A 11 12.292 -10.302 8.416 1.00 15.42 C ATOM 159 C LYS A 11 12.674 -8.828 8.316 1.00 34.25 C ATOM 160 O LYS A 11 13.828 -8.461 8.529 1.00 21.03 O ATOM 161 CB LYS A 11 13.532 -11.140 8.730 1.00 42.10 C ATOM 162 CG LYS A 11 14.552 -11.163 7.605 1.00 4.00 C ATOM 163 CD LYS A 11 15.972 -11.237 8.142 1.00 52.34 C ATOM 164 CE LYS A 11 16.991 -10.865 7.075 1.00 14.12 C ATOM 165 NZ LYS A 11 18.358 -11.342 7.423 1.00 74.23 N ATOM 0 H LYS A 11 12.301 -11.258 6.550 1.00 60.11 H new ATOM 0 HA LYS A 11 11.569 -10.419 9.223 1.00 15.42 H new ATOM 0 HB2 LYS A 11 14.006 -10.749 9.631 1.00 42.10 H new ATOM 0 HB3 LYS A 11 13.223 -12.162 8.950 1.00 42.10 H new ATOM 0 HG2 LYS A 11 14.362 -12.019 6.957 1.00 4.00 H new ATOM 0 HG3 LYS A 11 14.440 -10.269 6.992 1.00 4.00 H new ATOM 0 HD2 LYS A 11 16.075 -10.566 8.995 1.00 52.34 H new ATOM 0 HD3 LYS A 11 16.174 -12.245 8.503 1.00 52.34 H new ATOM 0 HE2 LYS A 11 16.689 -11.294 6.119 1.00 14.12 H new ATOM 0 HE3 LYS A 11 17.005 -9.782 6.948 1.00 14.12 H new ATOM 0 HZ1 LYS A 11 19.023 -11.069 6.671 1.00 74.23 H new ATOM 0 HZ2 LYS A 11 18.657 -10.913 8.322 1.00 74.23 H new ATOM 0 HZ3 LYS A 11 18.350 -12.378 7.519 1.00 74.23 H new ATOM 179 N GLU A 12 11.694 -7.989 7.992 1.00 1.43 N ATOM 180 CA GLU A 12 11.929 -6.554 7.866 1.00 63.15 C ATOM 181 C GLU A 12 10.614 -5.782 7.908 1.00 72.22 C ATOM 182 O GLU A 12 9.590 -6.252 7.413 1.00 50.42 O ATOM 183 CB GLU A 12 12.672 -6.250 6.563 1.00 75.10 C ATOM 184 CG GLU A 12 14.184 -6.267 6.705 1.00 11.23 C ATOM 185 CD GLU A 12 14.883 -5.499 5.601 1.00 54.24 C ATOM 186 OE1 GLU A 12 15.171 -6.105 4.547 1.00 4.34 O ATOM 187 OE2 GLU A 12 15.140 -4.291 5.788 1.00 33.42 O ATOM 0 H GLU A 12 10.732 -8.277 7.812 1.00 1.43 H new ATOM 0 HA GLU A 12 12.543 -6.236 8.709 1.00 63.15 H new ATOM 0 HB2 GLU A 12 12.378 -6.980 5.809 1.00 75.10 H new ATOM 0 HB3 GLU A 12 12.361 -5.271 6.197 1.00 75.10 H new ATOM 0 HG2 GLU A 12 14.459 -5.840 7.670 1.00 11.23 H new ATOM 0 HG3 GLU A 12 14.534 -7.299 6.702 1.00 11.23 H new ATOM 194 N ARG A 13 10.651 -4.594 8.503 1.00 31.11 N ATOM 195 CA ARG A 13 9.463 -3.757 8.612 1.00 13.23 C ATOM 196 C ARG A 13 9.156 -3.074 7.283 1.00 2.13 C ATOM 197 O ARG A 13 7.993 -2.875 6.929 1.00 10.23 O ATOM 198 CB ARG A 13 9.652 -2.705 9.707 1.00 62.21 C ATOM 199 CG ARG A 13 9.411 -3.236 11.111 1.00 70.05 C ATOM 200 CD ARG A 13 9.673 -2.170 12.162 1.00 14.02 C ATOM 201 NE ARG A 13 9.860 -2.745 13.491 1.00 21.35 N ATOM 202 CZ ARG A 13 9.785 -2.040 14.615 1.00 63.12 C ATOM 203 NH1 ARG A 13 9.530 -0.740 14.569 1.00 12.03 N ATOM 204 NH2 ARG A 13 9.968 -2.635 15.786 1.00 70.44 N ATOM 0 H ARG A 13 11.491 -4.190 8.917 1.00 31.11 H new ATOM 0 HA ARG A 13 8.621 -4.397 8.875 1.00 13.23 H new ATOM 0 HB2 ARG A 13 10.666 -2.308 9.647 1.00 62.21 H new ATOM 0 HB3 ARG A 13 8.973 -1.873 9.521 1.00 62.21 H new ATOM 0 HG2 ARG A 13 8.383 -3.588 11.197 1.00 70.05 H new ATOM 0 HG3 ARG A 13 10.058 -4.094 11.293 1.00 70.05 H new ATOM 0 HD2 ARG A 13 10.560 -1.599 11.886 1.00 14.02 H new ATOM 0 HD3 ARG A 13 8.838 -1.470 12.184 1.00 14.02 H new ATOM 0 HE ARG A 13 10.059 -3.743 13.561 1.00 21.35 H new ATOM 0 HH11 ARG A 13 9.391 -0.279 13.670 1.00 12.03 H new ATOM 0 HH12 ARG A 13 9.473 -0.201 15.433 1.00 12.03 H new ATOM 0 HH21 ARG A 13 10.167 -3.635 15.825 1.00 70.44 H new ATOM 0 HH22 ARG A 13 9.910 -2.093 16.648 1.00 70.44 H new ATOM 218 N SER A 14 10.206 -2.716 6.551 1.00 72.10 N ATOM 219 CA SER A 14 10.048 -2.051 5.262 1.00 2.13 C ATOM 220 C SER A 14 9.374 -2.975 4.254 1.00 55.22 C ATOM 221 O SER A 14 8.402 -2.595 3.601 1.00 52.55 O ATOM 222 CB SER A 14 11.409 -1.600 4.728 1.00 61.22 C ATOM 223 OG SER A 14 12.341 -2.667 4.739 1.00 24.43 O ATOM 0 H SER A 14 11.175 -2.875 6.828 1.00 72.10 H new ATOM 0 HA SER A 14 9.414 -1.176 5.407 1.00 2.13 H new ATOM 0 HB2 SER A 14 11.297 -1.221 3.712 1.00 61.22 H new ATOM 0 HB3 SER A 14 11.787 -0.777 5.335 1.00 61.22 H new ATOM 0 HG SER A 14 13.202 -2.353 4.391 1.00 24.43 H new ATOM 229 N ASN A 15 9.897 -4.190 4.130 1.00 25.24 N ATOM 230 CA ASN A 15 9.347 -5.169 3.200 1.00 21.44 C ATOM 231 C ASN A 15 8.010 -5.705 3.703 1.00 21.31 C ATOM 232 O ASN A 15 7.265 -6.341 2.958 1.00 1.33 O ATOM 233 CB ASN A 15 10.330 -6.324 3.003 1.00 72.32 C ATOM 234 CG ASN A 15 11.437 -5.980 2.024 1.00 31.03 C ATOM 235 OD1 ASN A 15 11.426 -6.424 0.876 1.00 72.21 O ATOM 236 ND2 ASN A 15 12.399 -5.185 2.476 1.00 24.24 N ATOM 0 H ASN A 15 10.702 -4.520 4.662 1.00 25.24 H new ATOM 0 HA ASN A 15 9.183 -4.673 2.243 1.00 21.44 H new ATOM 0 HB2 ASN A 15 10.769 -6.592 3.964 1.00 72.32 H new ATOM 0 HB3 ASN A 15 9.790 -7.200 2.644 1.00 72.32 H new ATOM 0 HD21 ASN A 15 13.170 -4.919 1.864 1.00 24.24 H new ATOM 0 HD22 ASN A 15 12.367 -4.840 3.436 1.00 24.24 H new ATOM 243 N GLN A 16 7.712 -5.444 4.972 1.00 5.42 N ATOM 244 CA GLN A 16 6.466 -5.900 5.575 1.00 54.12 C ATOM 245 C GLN A 16 5.262 -5.334 4.829 1.00 11.30 C ATOM 246 O GLN A 16 4.472 -6.079 4.250 1.00 52.22 O ATOM 247 CB GLN A 16 6.406 -5.492 7.048 1.00 5.21 C ATOM 248 CG GLN A 16 5.307 -6.193 7.830 1.00 20.00 C ATOM 249 CD GLN A 16 5.212 -5.710 9.263 1.00 14.53 C ATOM 250 OE1 GLN A 16 4.131 -5.373 9.746 1.00 22.34 O ATOM 251 NE2 GLN A 16 6.347 -5.672 9.952 1.00 34.54 N ATOM 0 H GLN A 16 8.318 -4.919 5.603 1.00 5.42 H new ATOM 0 HA GLN A 16 6.436 -6.987 5.506 1.00 54.12 H new ATOM 0 HB2 GLN A 16 7.367 -5.708 7.515 1.00 5.21 H new ATOM 0 HB3 GLN A 16 6.255 -4.414 7.112 1.00 5.21 H new ATOM 0 HG2 GLN A 16 4.351 -6.030 7.332 1.00 20.00 H new ATOM 0 HG3 GLN A 16 5.491 -7.267 7.824 1.00 20.00 H new ATOM 0 HE21 GLN A 16 7.221 -5.961 9.512 1.00 34.54 H new ATOM 0 HE22 GLN A 16 6.345 -5.354 10.921 1.00 34.54 H new ATOM 260 N ALA A 17 5.128 -4.012 4.849 1.00 1.32 N ATOM 261 CA ALA A 17 4.021 -3.346 4.174 1.00 44.52 C ATOM 262 C ALA A 17 3.896 -3.818 2.730 1.00 12.11 C ATOM 263 O ALA A 17 2.799 -4.119 2.260 1.00 53.53 O ATOM 264 CB ALA A 17 4.205 -1.836 4.224 1.00 61.34 C ATOM 0 H ALA A 17 5.772 -3.381 5.325 1.00 1.32 H new ATOM 0 HA ALA A 17 3.100 -3.606 4.695 1.00 44.52 H new ATOM 0 HB1 ALA A 17 3.371 -1.351 3.716 1.00 61.34 H new ATOM 0 HB2 ALA A 17 4.238 -1.508 5.263 1.00 61.34 H new ATOM 0 HB3 ALA A 17 5.138 -1.567 3.729 1.00 61.34 H new ATOM 270 N GLU A 18 5.025 -3.881 2.032 1.00 51.34 N ATOM 271 CA GLU A 18 5.039 -4.315 0.640 1.00 61.44 C ATOM 272 C GLU A 18 4.339 -5.662 0.483 1.00 3.24 C ATOM 273 O GLU A 18 3.581 -5.873 -0.463 1.00 23.55 O ATOM 274 CB GLU A 18 6.477 -4.413 0.127 1.00 23.44 C ATOM 275 CG GLU A 18 6.577 -4.829 -1.331 1.00 20.02 C ATOM 276 CD GLU A 18 7.785 -5.703 -1.607 1.00 41.41 C ATOM 277 OE1 GLU A 18 8.897 -5.332 -1.177 1.00 1.41 O ATOM 278 OE2 GLU A 18 7.617 -6.758 -2.254 1.00 5.34 O ATOM 0 H GLU A 18 5.942 -3.637 2.407 1.00 51.34 H new ATOM 0 HA GLU A 18 4.500 -3.574 0.050 1.00 61.44 H new ATOM 0 HB2 GLU A 18 6.966 -3.447 0.255 1.00 23.44 H new ATOM 0 HB3 GLU A 18 7.024 -5.130 0.739 1.00 23.44 H new ATOM 0 HG2 GLU A 18 5.672 -5.366 -1.614 1.00 20.02 H new ATOM 0 HG3 GLU A 18 6.628 -3.938 -1.957 1.00 20.02 H new ATOM 285 N ASN A 19 4.601 -6.570 1.418 1.00 52.11 N ATOM 286 CA ASN A 19 3.997 -7.898 1.384 1.00 31.04 C ATOM 287 C ASN A 19 2.486 -7.814 1.580 1.00 0.22 C ATOM 288 O ASN A 19 1.727 -8.546 0.945 1.00 11.11 O ATOM 289 CB ASN A 19 4.613 -8.788 2.465 1.00 70.22 C ATOM 290 CG ASN A 19 6.099 -9.009 2.254 1.00 32.01 C ATOM 291 OD1 ASN A 19 6.592 -8.960 1.127 1.00 33.32 O ATOM 292 ND2 ASN A 19 6.821 -9.252 3.342 1.00 74.21 N ATOM 0 H ASN A 19 5.227 -6.411 2.208 1.00 52.11 H new ATOM 0 HA ASN A 19 4.195 -8.335 0.405 1.00 31.04 H new ATOM 0 HB2 ASN A 19 4.451 -8.333 3.442 1.00 70.22 H new ATOM 0 HB3 ASN A 19 4.103 -9.751 2.473 1.00 70.22 H new ATOM 0 HD21 ASN A 19 7.826 -9.407 3.263 1.00 74.21 H new ATOM 0 HD22 ASN A 19 6.370 -9.283 4.257 1.00 74.21 H new ATOM 299 N ILE A 20 2.058 -6.916 2.460 1.00 3.14 N ATOM 300 CA ILE A 20 0.639 -6.735 2.738 1.00 1.45 C ATOM 301 C ILE A 20 -0.090 -6.166 1.525 1.00 11.14 C ATOM 302 O ILE A 20 -1.079 -6.733 1.060 1.00 12.45 O ATOM 303 CB ILE A 20 0.415 -5.801 3.942 1.00 31.10 C ATOM 304 CG1 ILE A 20 1.247 -6.268 5.139 1.00 32.22 C ATOM 305 CG2 ILE A 20 -1.062 -5.749 4.304 1.00 3.33 C ATOM 306 CD1 ILE A 20 1.235 -5.298 6.299 1.00 15.43 C ATOM 0 H ILE A 20 2.674 -6.302 2.993 1.00 3.14 H new ATOM 0 HA ILE A 20 0.236 -7.720 2.973 1.00 1.45 H new ATOM 0 HB ILE A 20 0.738 -4.796 3.669 1.00 31.10 H new ATOM 0 HG12 ILE A 20 0.870 -7.233 5.479 1.00 32.22 H new ATOM 0 HG13 ILE A 20 2.277 -6.424 4.817 1.00 32.22 H new ATOM 0 HG21 ILE A 20 -1.204 -5.085 5.157 1.00 3.33 H new ATOM 0 HG22 ILE A 20 -1.632 -5.375 3.454 1.00 3.33 H new ATOM 0 HG23 ILE A 20 -1.409 -6.750 4.562 1.00 3.33 H new ATOM 0 HD11 ILE A 20 1.845 -5.694 7.111 1.00 15.43 H new ATOM 0 HD12 ILE A 20 1.640 -4.339 5.976 1.00 15.43 H new ATOM 0 HD13 ILE A 20 0.212 -5.161 6.648 1.00 15.43 H new ATOM 318 N ILE A 21 0.406 -5.042 1.018 1.00 34.12 N ATOM 319 CA ILE A 21 -0.197 -4.398 -0.143 1.00 63.14 C ATOM 320 C ILE A 21 -0.387 -5.390 -1.285 1.00 60.23 C ATOM 321 O ILE A 21 -1.416 -5.385 -1.962 1.00 41.20 O ATOM 322 CB ILE A 21 0.660 -3.219 -0.640 1.00 45.21 C ATOM 323 CG1 ILE A 21 0.839 -2.184 0.473 1.00 62.12 C ATOM 324 CG2 ILE A 21 0.023 -2.581 -1.865 1.00 62.04 C ATOM 325 CD1 ILE A 21 1.841 -1.102 0.137 1.00 20.23 C ATOM 0 H ILE A 21 1.223 -4.559 1.392 1.00 34.12 H new ATOM 0 HA ILE A 21 -1.170 -4.022 0.174 1.00 63.14 H new ATOM 0 HB ILE A 21 1.643 -3.597 -0.920 1.00 45.21 H new ATOM 0 HG12 ILE A 21 -0.125 -1.722 0.686 1.00 62.12 H new ATOM 0 HG13 ILE A 21 1.157 -2.693 1.383 1.00 62.12 H new ATOM 0 HG21 ILE A 21 0.640 -1.749 -2.205 1.00 62.04 H new ATOM 0 HG22 ILE A 21 -0.057 -3.322 -2.661 1.00 62.04 H new ATOM 0 HG23 ILE A 21 -0.971 -2.214 -1.609 1.00 62.04 H new ATOM 0 HD11 ILE A 21 1.916 -0.404 0.971 1.00 20.23 H new ATOM 0 HD12 ILE A 21 2.816 -1.553 -0.048 1.00 20.23 H new ATOM 0 HD13 ILE A 21 1.514 -0.568 -0.755 1.00 20.23 H new ATOM 337 N THR A 22 0.611 -6.243 -1.493 1.00 75.44 N ATOM 338 CA THR A 22 0.553 -7.242 -2.553 1.00 74.13 C ATOM 339 C THR A 22 -0.685 -8.120 -2.414 1.00 72.31 C ATOM 340 O THR A 22 -1.202 -8.642 -3.403 1.00 13.12 O ATOM 341 CB THR A 22 1.807 -8.138 -2.549 1.00 72.41 C ATOM 342 OG1 THR A 22 2.985 -7.332 -2.646 1.00 42.51 O ATOM 343 CG2 THR A 22 1.768 -9.128 -3.704 1.00 53.13 C ATOM 0 H THR A 22 1.469 -6.262 -0.942 1.00 75.44 H new ATOM 0 HA THR A 22 0.506 -6.699 -3.497 1.00 74.13 H new ATOM 0 HB THR A 22 1.825 -8.696 -1.613 1.00 72.41 H new ATOM 0 HG1 THR A 22 3.187 -6.941 -1.770 1.00 42.51 H new ATOM 0 HG21 THR A 22 2.663 -9.750 -3.681 1.00 53.13 H new ATOM 0 HG22 THR A 22 0.885 -9.760 -3.612 1.00 53.13 H new ATOM 0 HG23 THR A 22 1.728 -8.584 -4.648 1.00 53.13 H new ATOM 351 N ASP A 23 -1.157 -8.279 -1.182 1.00 62.24 N ATOM 352 CA ASP A 23 -2.337 -9.093 -0.915 1.00 24.14 C ATOM 353 C ASP A 23 -3.554 -8.546 -1.654 1.00 21.24 C ATOM 354 O ASP A 23 -4.098 -9.199 -2.544 1.00 54.02 O ATOM 355 CB ASP A 23 -2.617 -9.145 0.588 1.00 40.42 C ATOM 356 CG ASP A 23 -3.633 -10.209 0.951 1.00 33.25 C ATOM 357 OD1 ASP A 23 -4.666 -10.307 0.255 1.00 63.03 O ATOM 358 OD2 ASP A 23 -3.396 -10.945 1.932 1.00 32.21 O ATOM 0 H ASP A 23 -0.741 -7.855 -0.353 1.00 62.24 H new ATOM 0 HA ASP A 23 -2.141 -10.103 -1.275 1.00 24.14 H new ATOM 0 HB2 ASP A 23 -1.686 -9.338 1.121 1.00 40.42 H new ATOM 0 HB3 ASP A 23 -2.979 -8.172 0.921 1.00 40.42 H new ATOM 363 N LEU A 24 -3.977 -7.344 -1.277 1.00 24.12 N ATOM 364 CA LEU A 24 -5.131 -6.708 -1.902 1.00 20.22 C ATOM 365 C LEU A 24 -5.023 -6.758 -3.423 1.00 62.33 C ATOM 366 O LEU A 24 -5.988 -7.083 -4.114 1.00 14.11 O ATOM 367 CB LEU A 24 -5.253 -5.257 -1.436 1.00 11.34 C ATOM 368 CG LEU A 24 -5.488 -5.049 0.061 1.00 13.21 C ATOM 369 CD1 LEU A 24 -5.810 -3.592 0.353 1.00 31.22 C ATOM 370 CD2 LEU A 24 -6.608 -5.953 0.554 1.00 64.44 C ATOM 0 H LEU A 24 -3.538 -6.790 -0.541 1.00 24.12 H new ATOM 0 HA LEU A 24 -6.024 -7.256 -1.601 1.00 20.22 H new ATOM 0 HB2 LEU A 24 -4.342 -4.729 -1.717 1.00 11.34 H new ATOM 0 HB3 LEU A 24 -6.074 -4.790 -1.980 1.00 11.34 H new ATOM 0 HG LEU A 24 -4.574 -5.312 0.593 1.00 13.21 H new ATOM 0 HD11 LEU A 24 -5.974 -3.463 1.423 1.00 31.22 H new ATOM 0 HD12 LEU A 24 -4.977 -2.965 0.035 1.00 31.22 H new ATOM 0 HD13 LEU A 24 -6.710 -3.302 -0.190 1.00 31.22 H new ATOM 0 HD21 LEU A 24 -6.762 -5.792 1.621 1.00 64.44 H new ATOM 0 HD22 LEU A 24 -7.527 -5.721 0.016 1.00 64.44 H new ATOM 0 HD23 LEU A 24 -6.339 -6.995 0.379 1.00 64.44 H new ATOM 382 N LEU A 25 -3.841 -6.437 -3.938 1.00 5.01 N ATOM 383 CA LEU A 25 -3.605 -6.449 -5.377 1.00 44.44 C ATOM 384 C LEU A 25 -3.945 -7.810 -5.974 1.00 52.03 C ATOM 385 O LEU A 25 -4.475 -7.897 -7.083 1.00 45.24 O ATOM 386 CB LEU A 25 -2.146 -6.098 -5.677 1.00 32.02 C ATOM 387 CG LEU A 25 -1.844 -4.616 -5.903 1.00 54.21 C ATOM 388 CD1 LEU A 25 -2.602 -4.097 -7.116 1.00 33.02 C ATOM 389 CD2 LEU A 25 -2.196 -3.805 -4.665 1.00 60.12 C ATOM 0 H LEU A 25 -3.031 -6.165 -3.380 1.00 5.01 H new ATOM 0 HA LEU A 25 -4.254 -5.701 -5.833 1.00 44.44 H new ATOM 0 HB2 LEU A 25 -1.531 -6.451 -4.849 1.00 32.02 H new ATOM 0 HB3 LEU A 25 -1.835 -6.651 -6.564 1.00 32.02 H new ATOM 0 HG LEU A 25 -0.776 -4.507 -6.092 1.00 54.21 H new ATOM 0 HD11 LEU A 25 -2.375 -3.041 -7.262 1.00 33.02 H new ATOM 0 HD12 LEU A 25 -2.301 -4.658 -8.001 1.00 33.02 H new ATOM 0 HD13 LEU A 25 -3.673 -4.219 -6.955 1.00 33.02 H new ATOM 0 HD21 LEU A 25 -1.974 -2.753 -4.844 1.00 60.12 H new ATOM 0 HD22 LEU A 25 -3.257 -3.920 -4.444 1.00 60.12 H new ATOM 0 HD23 LEU A 25 -1.609 -4.160 -3.818 1.00 60.12 H new ATOM 401 N ASP A 26 -3.642 -8.868 -5.232 1.00 61.52 N ATOM 402 CA ASP A 26 -3.919 -10.226 -5.687 1.00 14.04 C ATOM 403 C ASP A 26 -5.417 -10.437 -5.887 1.00 63.11 C ATOM 404 O ASP A 26 -5.865 -10.776 -6.982 1.00 12.32 O ATOM 405 CB ASP A 26 -3.377 -11.244 -4.682 1.00 14.10 C ATOM 406 CG ASP A 26 -3.090 -12.590 -5.318 1.00 41.21 C ATOM 407 OD1 ASP A 26 -1.965 -12.775 -5.829 1.00 43.01 O ATOM 408 OD2 ASP A 26 -3.988 -13.456 -5.307 1.00 71.23 O ATOM 0 H ASP A 26 -3.204 -8.812 -4.312 1.00 61.52 H new ATOM 0 HA ASP A 26 -3.419 -10.371 -6.645 1.00 14.04 H new ATOM 0 HB2 ASP A 26 -2.463 -10.855 -4.233 1.00 14.10 H new ATOM 0 HB3 ASP A 26 -4.099 -11.373 -3.875 1.00 14.10 H new ATOM 413 N ASP A 27 -6.184 -10.235 -4.822 1.00 21.43 N ATOM 414 CA ASP A 27 -7.632 -10.403 -4.880 1.00 22.44 C ATOM 415 C ASP A 27 -8.250 -9.444 -5.892 1.00 32.01 C ATOM 416 O ASP A 27 -9.261 -9.756 -6.523 1.00 24.51 O ATOM 417 CB ASP A 27 -8.249 -10.174 -3.499 1.00 51.03 C ATOM 418 CG ASP A 27 -8.047 -11.356 -2.571 1.00 30.41 C ATOM 419 OD1 ASP A 27 -8.873 -12.292 -2.615 1.00 43.05 O ATOM 420 OD2 ASP A 27 -7.063 -11.345 -1.801 1.00 32.50 O ATOM 0 H ASP A 27 -5.828 -9.955 -3.908 1.00 21.43 H new ATOM 0 HA ASP A 27 -7.842 -11.424 -5.199 1.00 22.44 H new ATOM 0 HB2 ASP A 27 -7.808 -9.284 -3.050 1.00 51.03 H new ATOM 0 HB3 ASP A 27 -9.316 -9.980 -3.609 1.00 51.03 H new ATOM 425 N LEU A 28 -7.637 -8.275 -6.042 1.00 34.23 N ATOM 426 CA LEU A 28 -8.128 -7.269 -6.978 1.00 4.43 C ATOM 427 C LEU A 28 -7.925 -7.721 -8.420 1.00 60.11 C ATOM 428 O LEU A 28 -8.599 -7.244 -9.333 1.00 4.54 O ATOM 429 CB LEU A 28 -7.414 -5.936 -6.744 1.00 61.22 C ATOM 430 CG LEU A 28 -8.165 -4.914 -5.891 1.00 14.32 C ATOM 431 CD1 LEU A 28 -7.188 -3.996 -5.173 1.00 54.24 C ATOM 432 CD2 LEU A 28 -9.126 -4.105 -6.751 1.00 50.51 C ATOM 0 H LEU A 28 -6.800 -8.000 -5.528 1.00 34.23 H new ATOM 0 HA LEU A 28 -9.196 -7.138 -6.805 1.00 4.43 H new ATOM 0 HB2 LEU A 28 -6.454 -6.139 -6.270 1.00 61.22 H new ATOM 0 HB3 LEU A 28 -7.202 -5.485 -7.713 1.00 61.22 H new ATOM 0 HG LEU A 28 -8.744 -5.452 -5.141 1.00 14.32 H new ATOM 0 HD11 LEU A 28 -7.741 -3.275 -4.571 1.00 54.24 H new ATOM 0 HD12 LEU A 28 -6.541 -4.588 -4.526 1.00 54.24 H new ATOM 0 HD13 LEU A 28 -6.581 -3.466 -5.907 1.00 54.24 H new ATOM 0 HD21 LEU A 28 -9.652 -3.382 -6.127 1.00 50.51 H new ATOM 0 HD22 LEU A 28 -8.567 -3.578 -7.524 1.00 50.51 H new ATOM 0 HD23 LEU A 28 -9.848 -4.775 -7.218 1.00 50.51 H new ATOM 444 N LYS A 29 -6.993 -8.648 -8.619 1.00 11.10 N ATOM 445 CA LYS A 29 -6.702 -9.168 -9.949 1.00 61.42 C ATOM 446 C LYS A 29 -7.986 -9.559 -10.673 1.00 14.02 C ATOM 447 O LYS A 29 -8.285 -9.044 -11.751 1.00 74.35 O ATOM 448 CB LYS A 29 -5.770 -10.379 -9.853 1.00 31.12 C ATOM 449 CG LYS A 29 -5.469 -11.023 -11.196 1.00 33.43 C ATOM 450 CD LYS A 29 -4.565 -12.235 -11.042 1.00 14.12 C ATOM 451 CE LYS A 29 -3.124 -11.902 -11.392 1.00 51.14 C ATOM 452 NZ LYS A 29 -2.970 -11.541 -12.829 1.00 54.22 N ATOM 0 H LYS A 29 -6.426 -9.054 -7.875 1.00 11.10 H new ATOM 0 HA LYS A 29 -6.209 -8.381 -10.519 1.00 61.42 H new ATOM 0 HB2 LYS A 29 -4.833 -10.070 -9.390 1.00 31.12 H new ATOM 0 HB3 LYS A 29 -6.221 -11.123 -9.196 1.00 31.12 H new ATOM 0 HG2 LYS A 29 -6.402 -11.322 -11.675 1.00 33.43 H new ATOM 0 HG3 LYS A 29 -4.993 -10.294 -11.852 1.00 33.43 H new ATOM 0 HD2 LYS A 29 -4.616 -12.601 -10.016 1.00 14.12 H new ATOM 0 HD3 LYS A 29 -4.920 -13.040 -11.686 1.00 14.12 H new ATOM 0 HE2 LYS A 29 -2.782 -11.074 -10.771 1.00 51.14 H new ATOM 0 HE3 LYS A 29 -2.488 -12.757 -11.162 1.00 51.14 H new ATOM 0 HZ1 LYS A 29 -2.008 -11.779 -13.146 1.00 54.22 H new ATOM 0 HZ2 LYS A 29 -3.662 -12.071 -13.396 1.00 54.22 H new ATOM 0 HZ3 LYS A 29 -3.132 -10.521 -12.950 1.00 54.22 H new ATOM 466 N THR A 30 -8.746 -10.470 -10.072 1.00 40.14 N ATOM 467 CA THR A 30 -9.998 -10.929 -10.659 1.00 74.14 C ATOM 468 C THR A 30 -11.145 -9.984 -10.318 1.00 45.12 C ATOM 469 O THR A 30 -12.177 -9.978 -10.988 1.00 42.43 O ATOM 470 CB THR A 30 -10.357 -12.348 -10.180 1.00 3.04 C ATOM 471 OG1 THR A 30 -10.250 -12.425 -8.754 1.00 33.02 O ATOM 472 CG2 THR A 30 -9.443 -13.383 -10.818 1.00 21.32 C ATOM 0 H THR A 30 -8.515 -10.904 -9.178 1.00 40.14 H new ATOM 0 HA THR A 30 -9.853 -10.944 -11.739 1.00 74.14 H new ATOM 0 HB THR A 30 -11.383 -12.559 -10.480 1.00 3.04 H new ATOM 0 HG1 THR A 30 -10.481 -13.330 -8.457 1.00 33.02 H new ATOM 0 HG21 THR A 30 -9.716 -14.377 -10.464 1.00 21.32 H new ATOM 0 HG22 THR A 30 -9.548 -13.342 -11.902 1.00 21.32 H new ATOM 0 HG23 THR A 30 -8.409 -13.172 -10.545 1.00 21.32 H new ATOM 480 N ASP A 31 -10.955 -9.187 -9.272 1.00 33.21 N ATOM 481 CA ASP A 31 -11.974 -8.235 -8.843 1.00 25.22 C ATOM 482 C ASP A 31 -12.098 -7.086 -9.837 1.00 70.41 C ATOM 483 O ASP A 31 -11.101 -6.618 -10.389 1.00 4.02 O ATOM 484 CB ASP A 31 -11.639 -7.690 -7.453 1.00 64.42 C ATOM 485 CG ASP A 31 -12.877 -7.296 -6.671 1.00 44.33 C ATOM 486 OD1 ASP A 31 -13.908 -6.993 -7.308 1.00 41.11 O ATOM 487 OD2 ASP A 31 -12.814 -7.290 -5.424 1.00 12.32 O ATOM 0 H ASP A 31 -10.106 -9.181 -8.706 1.00 33.21 H new ATOM 0 HA ASP A 31 -12.929 -8.758 -8.800 1.00 25.22 H new ATOM 0 HB2 ASP A 31 -11.085 -8.444 -6.894 1.00 64.42 H new ATOM 0 HB3 ASP A 31 -10.985 -6.823 -7.554 1.00 64.42 H new ATOM 492 N LEU A 32 -13.327 -6.636 -10.062 1.00 53.31 N ATOM 493 CA LEU A 32 -13.582 -5.541 -10.992 1.00 14.22 C ATOM 494 C LEU A 32 -14.059 -4.296 -10.250 1.00 42.02 C ATOM 495 O LEU A 32 -14.795 -3.477 -10.801 1.00 4.25 O ATOM 496 CB LEU A 32 -14.625 -5.960 -12.030 1.00 14.13 C ATOM 497 CG LEU A 32 -14.121 -6.852 -13.165 1.00 62.42 C ATOM 498 CD1 LEU A 32 -14.171 -8.316 -12.755 1.00 61.12 C ATOM 499 CD2 LEU A 32 -14.939 -6.622 -14.428 1.00 40.01 C ATOM 0 H LEU A 32 -14.163 -7.012 -9.614 1.00 53.31 H new ATOM 0 HA LEU A 32 -12.647 -5.303 -11.500 1.00 14.22 H new ATOM 0 HB2 LEU A 32 -15.431 -6.482 -11.515 1.00 14.13 H new ATOM 0 HB3 LEU A 32 -15.056 -5.059 -12.467 1.00 14.13 H new ATOM 0 HG LEU A 32 -13.084 -6.589 -13.375 1.00 62.42 H new ATOM 0 HD11 LEU A 32 -13.809 -8.936 -13.575 1.00 61.12 H new ATOM 0 HD12 LEU A 32 -13.542 -8.470 -11.878 1.00 61.12 H new ATOM 0 HD13 LEU A 32 -15.198 -8.592 -12.518 1.00 61.12 H new ATOM 0 HD21 LEU A 32 -14.566 -7.265 -15.225 1.00 40.01 H new ATOM 0 HD22 LEU A 32 -15.985 -6.857 -14.232 1.00 40.01 H new ATOM 0 HD23 LEU A 32 -14.852 -5.579 -14.733 1.00 40.01 H new ATOM 511 N ASP A 33 -13.631 -4.160 -9.000 1.00 60.22 N ATOM 512 CA ASP A 33 -14.011 -3.014 -8.183 1.00 3.42 C ATOM 513 C ASP A 33 -13.150 -1.799 -8.517 1.00 54.42 C ATOM 514 O ASP A 33 -13.610 -0.859 -9.163 1.00 70.32 O ATOM 515 CB ASP A 33 -13.881 -3.353 -6.697 1.00 21.01 C ATOM 516 CG ASP A 33 -15.168 -3.901 -6.113 1.00 54.40 C ATOM 517 OD1 ASP A 33 -15.361 -5.134 -6.154 1.00 43.11 O ATOM 518 OD2 ASP A 33 -15.983 -3.095 -5.616 1.00 32.40 O ATOM 0 H ASP A 33 -13.021 -4.829 -8.531 1.00 60.22 H new ATOM 0 HA ASP A 33 -15.051 -2.772 -8.403 1.00 3.42 H new ATOM 0 HB2 ASP A 33 -13.084 -4.085 -6.563 1.00 21.01 H new ATOM 0 HB3 ASP A 33 -13.588 -2.458 -6.148 1.00 21.01 H new ATOM 523 N ASN A 34 -11.898 -1.827 -8.071 1.00 53.12 N ATOM 524 CA ASN A 34 -10.973 -0.727 -8.322 1.00 24.45 C ATOM 525 C ASN A 34 -10.196 -0.954 -9.614 1.00 53.12 C ATOM 526 O ASN A 34 -9.432 -1.912 -9.730 1.00 31.31 O ATOM 527 CB ASN A 34 -10.001 -0.573 -7.149 1.00 74.54 C ATOM 528 CG ASN A 34 -10.673 -0.011 -5.911 1.00 54.14 C ATOM 529 OD1 ASN A 34 -10.871 1.199 -5.795 1.00 32.31 O ATOM 530 ND2 ASN A 34 -11.028 -0.889 -4.980 1.00 41.21 N ATOM 0 H ASN A 34 -11.501 -2.598 -7.535 1.00 53.12 H new ATOM 0 HA ASN A 34 -11.555 0.188 -8.426 1.00 24.45 H new ATOM 0 HB2 ASN A 34 -9.564 -1.543 -6.913 1.00 74.54 H new ATOM 0 HB3 ASN A 34 -9.181 0.083 -7.443 1.00 74.54 H new ATOM 0 HD21 ASN A 34 -11.485 -0.570 -4.126 1.00 41.21 H new ATOM 0 HD22 ASN A 34 -10.844 -1.883 -5.119 1.00 41.21 H new ATOM 537 N GLU A 35 -10.396 -0.066 -10.583 1.00 35.33 N ATOM 538 CA GLU A 35 -9.714 -0.170 -11.867 1.00 62.00 C ATOM 539 C GLU A 35 -8.549 0.813 -11.946 1.00 13.43 C ATOM 540 O GLU A 35 -7.442 0.451 -12.344 1.00 74.22 O ATOM 541 CB GLU A 35 -10.694 0.091 -13.013 1.00 34.02 C ATOM 542 CG GLU A 35 -10.071 -0.052 -14.391 1.00 62.31 C ATOM 543 CD GLU A 35 -11.098 0.006 -15.504 1.00 52.45 C ATOM 544 OE1 GLU A 35 -12.308 0.014 -15.197 1.00 13.23 O ATOM 545 OE2 GLU A 35 -10.692 0.044 -16.685 1.00 64.13 O ATOM 0 H GLU A 35 -11.025 0.733 -10.503 1.00 35.33 H new ATOM 0 HA GLU A 35 -9.320 -1.182 -11.959 1.00 62.00 H new ATOM 0 HB2 GLU A 35 -11.531 -0.602 -12.929 1.00 34.02 H new ATOM 0 HB3 GLU A 35 -11.101 1.097 -12.910 1.00 34.02 H new ATOM 0 HG2 GLU A 35 -9.337 0.740 -14.538 1.00 62.31 H new ATOM 0 HG3 GLU A 35 -9.534 -0.999 -14.446 1.00 62.31 H new ATOM 552 N SER A 36 -8.808 2.060 -11.564 1.00 42.01 N ATOM 553 CA SER A 36 -7.784 3.097 -11.595 1.00 53.42 C ATOM 554 C SER A 36 -7.198 3.324 -10.204 1.00 52.14 C ATOM 555 O SER A 36 -6.060 3.774 -10.063 1.00 71.05 O ATOM 556 CB SER A 36 -8.367 4.404 -12.135 1.00 12.31 C ATOM 557 OG SER A 36 -9.768 4.299 -12.321 1.00 22.31 O ATOM 0 H SER A 36 -9.718 2.376 -11.230 1.00 42.01 H new ATOM 0 HA SER A 36 -6.985 2.764 -12.257 1.00 53.42 H new ATOM 0 HB2 SER A 36 -8.149 5.217 -11.442 1.00 12.31 H new ATOM 0 HB3 SER A 36 -7.889 4.655 -13.082 1.00 12.31 H new ATOM 0 HG SER A 36 -10.117 5.148 -12.665 1.00 22.31 H new ATOM 563 N LEU A 37 -7.984 3.011 -9.181 1.00 13.01 N ATOM 564 CA LEU A 37 -7.545 3.181 -7.800 1.00 40.22 C ATOM 565 C LEU A 37 -6.274 2.383 -7.531 1.00 25.11 C ATOM 566 O LEU A 37 -5.390 2.831 -6.799 1.00 61.34 O ATOM 567 CB LEU A 37 -8.649 2.743 -6.836 1.00 24.35 C ATOM 568 CG LEU A 37 -8.825 3.600 -5.582 1.00 41.13 C ATOM 569 CD1 LEU A 37 -7.488 3.817 -4.892 1.00 5.21 C ATOM 570 CD2 LEU A 37 -9.468 4.934 -5.935 1.00 4.23 C ATOM 0 H LEU A 37 -8.928 2.638 -9.281 1.00 13.01 H new ATOM 0 HA LEU A 37 -7.329 4.237 -7.640 1.00 40.22 H new ATOM 0 HB2 LEU A 37 -9.594 2.731 -7.379 1.00 24.35 H new ATOM 0 HB3 LEU A 37 -8.447 1.718 -6.526 1.00 24.35 H new ATOM 0 HG LEU A 37 -9.484 3.072 -4.893 1.00 41.13 H new ATOM 0 HD11 LEU A 37 -7.633 4.429 -4.002 1.00 5.21 H new ATOM 0 HD12 LEU A 37 -7.066 2.854 -4.605 1.00 5.21 H new ATOM 0 HD13 LEU A 37 -6.805 4.324 -5.573 1.00 5.21 H new ATOM 0 HD21 LEU A 37 -9.586 5.532 -5.031 1.00 4.23 H new ATOM 0 HD22 LEU A 37 -8.834 5.468 -6.643 1.00 4.23 H new ATOM 0 HD23 LEU A 37 -10.445 4.759 -6.384 1.00 4.23 H new ATOM 582 N LYS A 38 -6.186 1.199 -8.129 1.00 12.43 N ATOM 583 CA LYS A 38 -5.021 0.339 -7.957 1.00 52.51 C ATOM 584 C LYS A 38 -3.732 1.111 -8.222 1.00 44.05 C ATOM 585 O LYS A 38 -2.683 0.800 -7.657 1.00 71.24 O ATOM 586 CB LYS A 38 -5.109 -0.866 -8.896 1.00 74.45 C ATOM 587 CG LYS A 38 -6.060 -1.947 -8.411 1.00 10.31 C ATOM 588 CD LYS A 38 -6.656 -2.727 -9.571 1.00 23.32 C ATOM 589 CE LYS A 38 -5.582 -3.466 -10.355 1.00 20.35 C ATOM 590 NZ LYS A 38 -4.723 -4.300 -9.469 1.00 70.14 N ATOM 0 H LYS A 38 -6.908 0.813 -8.737 1.00 12.43 H new ATOM 0 HA LYS A 38 -5.008 -0.012 -6.925 1.00 52.51 H new ATOM 0 HB2 LYS A 38 -5.430 -0.526 -9.881 1.00 74.45 H new ATOM 0 HB3 LYS A 38 -4.115 -1.296 -9.016 1.00 74.45 H new ATOM 0 HG2 LYS A 38 -5.529 -2.629 -7.747 1.00 10.31 H new ATOM 0 HG3 LYS A 38 -6.861 -1.493 -7.827 1.00 10.31 H new ATOM 0 HD2 LYS A 38 -7.388 -3.441 -9.193 1.00 23.32 H new ATOM 0 HD3 LYS A 38 -7.188 -2.045 -10.234 1.00 23.32 H new ATOM 0 HE2 LYS A 38 -6.053 -4.100 -11.106 1.00 20.35 H new ATOM 0 HE3 LYS A 38 -4.962 -2.746 -10.889 1.00 20.35 H new ATOM 0 HZ1 LYS A 38 -4.532 -5.212 -9.930 1.00 70.14 H new ATOM 0 HZ2 LYS A 38 -3.825 -3.806 -9.292 1.00 70.14 H new ATOM 0 HZ3 LYS A 38 -5.212 -4.464 -8.566 1.00 70.14 H new ATOM 604 N LYS A 39 -3.817 2.118 -9.085 1.00 35.23 N ATOM 605 CA LYS A 39 -2.659 2.936 -9.423 1.00 5.24 C ATOM 606 C LYS A 39 -1.987 3.474 -8.164 1.00 3.44 C ATOM 607 O LYS A 39 -0.767 3.635 -8.120 1.00 4.21 O ATOM 608 CB LYS A 39 -3.076 4.097 -10.328 1.00 45.23 C ATOM 609 CG LYS A 39 -3.655 5.281 -9.572 1.00 64.54 C ATOM 610 CD LYS A 39 -4.394 6.228 -10.501 1.00 74.13 C ATOM 611 CE LYS A 39 -3.481 6.761 -11.595 1.00 35.33 C ATOM 612 NZ LYS A 39 -2.260 7.402 -11.034 1.00 51.44 N ATOM 0 H LYS A 39 -4.677 2.387 -9.563 1.00 35.23 H new ATOM 0 HA LYS A 39 -1.944 2.308 -9.955 1.00 5.24 H new ATOM 0 HB2 LYS A 39 -2.210 4.430 -10.900 1.00 45.23 H new ATOM 0 HB3 LYS A 39 -3.814 3.740 -11.046 1.00 45.23 H new ATOM 0 HG2 LYS A 39 -4.336 4.923 -8.799 1.00 64.54 H new ATOM 0 HG3 LYS A 39 -2.853 5.818 -9.066 1.00 64.54 H new ATOM 0 HD2 LYS A 39 -5.240 5.710 -10.952 1.00 74.13 H new ATOM 0 HD3 LYS A 39 -4.799 7.061 -9.926 1.00 74.13 H new ATOM 0 HE2 LYS A 39 -3.191 5.944 -12.256 1.00 35.33 H new ATOM 0 HE3 LYS A 39 -4.025 7.485 -12.202 1.00 35.33 H new ATOM 0 HZ1 LYS A 39 -1.768 7.927 -11.785 1.00 51.44 H new ATOM 0 HZ2 LYS A 39 -2.530 8.057 -10.273 1.00 51.44 H new ATOM 0 HZ3 LYS A 39 -1.628 6.670 -10.652 1.00 51.44 H new ATOM 626 N VAL A 40 -2.790 3.752 -7.142 1.00 21.53 N ATOM 627 CA VAL A 40 -2.272 4.270 -5.881 1.00 34.31 C ATOM 628 C VAL A 40 -1.438 3.220 -5.157 1.00 63.22 C ATOM 629 O VAL A 40 -0.218 3.347 -5.050 1.00 64.53 O ATOM 630 CB VAL A 40 -3.412 4.733 -4.954 1.00 31.21 C ATOM 631 CG1 VAL A 40 -2.888 4.989 -3.550 1.00 20.40 C ATOM 632 CG2 VAL A 40 -4.084 5.976 -5.517 1.00 3.04 C ATOM 0 H VAL A 40 -3.802 3.627 -7.162 1.00 21.53 H new ATOM 0 HA VAL A 40 -1.642 5.125 -6.125 1.00 34.31 H new ATOM 0 HB VAL A 40 -4.157 3.939 -4.898 1.00 31.21 H new ATOM 0 HG11 VAL A 40 -3.708 5.315 -2.910 1.00 20.40 H new ATOM 0 HG12 VAL A 40 -2.458 4.071 -3.149 1.00 20.40 H new ATOM 0 HG13 VAL A 40 -2.123 5.764 -3.583 1.00 20.40 H new ATOM 0 HG21 VAL A 40 -4.887 6.289 -4.850 1.00 3.04 H new ATOM 0 HG22 VAL A 40 -3.351 6.778 -5.604 1.00 3.04 H new ATOM 0 HG23 VAL A 40 -4.496 5.753 -6.501 1.00 3.04 H new ATOM 642 N LEU A 41 -2.103 2.182 -4.661 1.00 13.24 N ATOM 643 CA LEU A 41 -1.423 1.108 -3.946 1.00 10.13 C ATOM 644 C LEU A 41 -0.271 0.547 -4.774 1.00 3.32 C ATOM 645 O LEU A 41 0.822 0.318 -4.258 1.00 52.12 O ATOM 646 CB LEU A 41 -2.411 -0.008 -3.603 1.00 23.04 C ATOM 647 CG LEU A 41 -3.578 0.384 -2.696 1.00 43.30 C ATOM 648 CD1 LEU A 41 -4.887 -0.163 -3.245 1.00 51.51 C ATOM 649 CD2 LEU A 41 -3.344 -0.116 -1.278 1.00 1.53 C ATOM 0 H LEU A 41 -3.113 2.062 -4.741 1.00 13.24 H new ATOM 0 HA LEU A 41 -1.015 1.520 -3.023 1.00 10.13 H new ATOM 0 HB2 LEU A 41 -2.817 -0.405 -4.533 1.00 23.04 H new ATOM 0 HB3 LEU A 41 -1.861 -0.818 -3.124 1.00 23.04 H new ATOM 0 HG LEU A 41 -3.643 1.472 -2.670 1.00 43.30 H new ATOM 0 HD11 LEU A 41 -5.706 0.126 -2.587 1.00 51.51 H new ATOM 0 HD12 LEU A 41 -5.062 0.243 -4.241 1.00 51.51 H new ATOM 0 HD13 LEU A 41 -4.832 -1.250 -3.301 1.00 51.51 H new ATOM 0 HD21 LEU A 41 -4.185 0.172 -0.647 1.00 1.53 H new ATOM 0 HD22 LEU A 41 -3.252 -1.202 -1.286 1.00 1.53 H new ATOM 0 HD23 LEU A 41 -2.427 0.323 -0.884 1.00 1.53 H new ATOM 661 N GLU A 42 -0.525 0.330 -6.061 1.00 1.14 N ATOM 662 CA GLU A 42 0.492 -0.203 -6.959 1.00 54.31 C ATOM 663 C GLU A 42 1.712 0.712 -7.005 1.00 13.41 C ATOM 664 O GLU A 42 2.810 0.320 -6.612 1.00 42.40 O ATOM 665 CB GLU A 42 -0.081 -0.376 -8.368 1.00 63.21 C ATOM 666 CG GLU A 42 -1.016 -1.566 -8.502 1.00 50.02 C ATOM 667 CD GLU A 42 -0.713 -2.411 -9.724 1.00 43.14 C ATOM 668 OE1 GLU A 42 0.378 -3.016 -9.772 1.00 41.34 O ATOM 669 OE2 GLU A 42 -1.568 -2.468 -10.633 1.00 63.33 O ATOM 0 H GLU A 42 -1.425 0.515 -6.504 1.00 1.14 H new ATOM 0 HA GLU A 42 0.803 -1.176 -6.577 1.00 54.31 H new ATOM 0 HB2 GLU A 42 -0.618 0.531 -8.647 1.00 63.21 H new ATOM 0 HB3 GLU A 42 0.741 -0.489 -9.074 1.00 63.21 H new ATOM 0 HG2 GLU A 42 -0.940 -2.186 -7.608 1.00 50.02 H new ATOM 0 HG3 GLU A 42 -2.045 -1.211 -8.557 1.00 50.02 H new ATOM 676 N ASN A 43 1.511 1.934 -7.487 1.00 11.14 N ATOM 677 CA ASN A 43 2.594 2.906 -7.585 1.00 32.34 C ATOM 678 C ASN A 43 3.345 3.018 -6.261 1.00 53.33 C ATOM 679 O ASN A 43 4.555 2.796 -6.202 1.00 23.25 O ATOM 680 CB ASN A 43 2.044 4.275 -7.989 1.00 73.20 C ATOM 681 CG ASN A 43 3.138 5.235 -8.414 1.00 10.51 C ATOM 682 OD1 ASN A 43 4.325 4.935 -8.291 1.00 3.04 O ATOM 683 ND2 ASN A 43 2.742 6.397 -8.919 1.00 52.21 N ATOM 0 H ASN A 43 0.608 2.275 -7.816 1.00 11.14 H new ATOM 0 HA ASN A 43 3.290 2.562 -8.350 1.00 32.34 H new ATOM 0 HB2 ASN A 43 1.335 4.151 -8.807 1.00 73.20 H new ATOM 0 HB3 ASN A 43 1.493 4.704 -7.152 1.00 73.20 H new ATOM 0 HD21 ASN A 43 3.433 7.083 -9.223 1.00 52.21 H new ATOM 0 HD22 ASN A 43 1.747 6.604 -9.003 1.00 52.21 H new ATOM 690 N TYR A 44 2.620 3.364 -5.203 1.00 65.32 N ATOM 691 CA TYR A 44 3.218 3.506 -3.882 1.00 24.35 C ATOM 692 C TYR A 44 3.982 2.245 -3.488 1.00 52.44 C ATOM 693 O TYR A 44 5.094 2.316 -2.965 1.00 44.32 O ATOM 694 CB TYR A 44 2.138 3.806 -2.840 1.00 40.10 C ATOM 695 CG TYR A 44 1.748 5.266 -2.776 1.00 72.30 C ATOM 696 CD1 TYR A 44 2.688 6.244 -2.479 1.00 34.40 C ATOM 697 CD2 TYR A 44 0.438 5.665 -3.012 1.00 10.04 C ATOM 698 CE1 TYR A 44 2.335 7.579 -2.419 1.00 64.32 C ATOM 699 CE2 TYR A 44 0.077 6.998 -2.955 1.00 23.23 C ATOM 700 CZ TYR A 44 1.029 7.951 -2.658 1.00 62.33 C ATOM 701 OH TYR A 44 0.673 9.278 -2.599 1.00 51.03 O ATOM 0 H TYR A 44 1.618 3.551 -5.235 1.00 65.32 H new ATOM 0 HA TYR A 44 3.922 4.338 -3.919 1.00 24.35 H new ATOM 0 HB2 TYR A 44 1.253 3.211 -3.065 1.00 40.10 H new ATOM 0 HB3 TYR A 44 2.493 3.490 -1.859 1.00 40.10 H new ATOM 0 HD1 TYR A 44 3.712 5.957 -2.292 1.00 34.40 H new ATOM 0 HD2 TYR A 44 -0.310 4.921 -3.244 1.00 10.04 H new ATOM 0 HE1 TYR A 44 3.078 8.327 -2.186 1.00 64.32 H new ATOM 0 HE2 TYR A 44 -0.945 7.292 -3.142 1.00 23.23 H new ATOM 0 HH TYR A 44 -0.235 9.389 -2.950 1.00 51.03 H new ATOM 711 N LEU A 45 3.377 1.091 -3.746 1.00 54.45 N ATOM 712 CA LEU A 45 3.999 -0.188 -3.422 1.00 11.22 C ATOM 713 C LEU A 45 5.364 -0.315 -4.091 1.00 4.13 C ATOM 714 O LEU A 45 6.320 -0.797 -3.483 1.00 12.42 O ATOM 715 CB LEU A 45 3.095 -1.343 -3.860 1.00 1.14 C ATOM 716 CG LEU A 45 3.741 -2.728 -3.884 1.00 61.42 C ATOM 717 CD1 LEU A 45 4.092 -3.179 -2.475 1.00 11.11 C ATOM 718 CD2 LEU A 45 2.818 -3.735 -4.554 1.00 51.21 C ATOM 0 H LEU A 45 2.456 1.015 -4.179 1.00 54.45 H new ATOM 0 HA LEU A 45 4.138 -0.233 -2.342 1.00 11.22 H new ATOM 0 HB2 LEU A 45 2.234 -1.377 -3.193 1.00 1.14 H new ATOM 0 HB3 LEU A 45 2.716 -1.123 -4.858 1.00 1.14 H new ATOM 0 HG LEU A 45 4.662 -2.668 -4.463 1.00 61.42 H new ATOM 0 HD11 LEU A 45 4.551 -4.167 -2.513 1.00 11.11 H new ATOM 0 HD12 LEU A 45 4.791 -2.471 -2.030 1.00 11.11 H new ATOM 0 HD13 LEU A 45 3.186 -3.223 -1.871 1.00 11.11 H new ATOM 0 HD21 LEU A 45 3.294 -4.716 -4.562 1.00 51.21 H new ATOM 0 HD22 LEU A 45 1.880 -3.792 -4.002 1.00 51.21 H new ATOM 0 HD23 LEU A 45 2.618 -3.420 -5.578 1.00 51.21 H new ATOM 730 N GLU A 46 5.448 0.124 -5.343 1.00 35.12 N ATOM 731 CA GLU A 46 6.697 0.060 -6.092 1.00 45.41 C ATOM 732 C GLU A 46 7.736 1.008 -5.498 1.00 62.14 C ATOM 733 O GLU A 46 8.935 0.734 -5.537 1.00 74.14 O ATOM 734 CB GLU A 46 6.454 0.408 -7.562 1.00 64.13 C ATOM 735 CG GLU A 46 5.996 -0.775 -8.399 1.00 53.22 C ATOM 736 CD GLU A 46 5.196 -0.352 -9.616 1.00 71.13 C ATOM 737 OE1 GLU A 46 5.816 -0.059 -10.660 1.00 62.22 O ATOM 738 OE2 GLU A 46 3.951 -0.314 -9.525 1.00 62.23 O ATOM 0 H GLU A 46 4.666 0.527 -5.859 1.00 35.12 H new ATOM 0 HA GLU A 46 7.080 -0.959 -6.026 1.00 45.41 H new ATOM 0 HB2 GLU A 46 5.704 1.196 -7.621 1.00 64.13 H new ATOM 0 HB3 GLU A 46 7.373 0.810 -7.988 1.00 64.13 H new ATOM 0 HG2 GLU A 46 6.867 -1.346 -8.721 1.00 53.22 H new ATOM 0 HG3 GLU A 46 5.390 -1.439 -7.783 1.00 53.22 H new ATOM 745 N GLU A 47 7.265 2.124 -4.950 1.00 43.20 N ATOM 746 CA GLU A 47 8.154 3.113 -4.350 1.00 41.04 C ATOM 747 C GLU A 47 8.955 2.501 -3.205 1.00 41.14 C ATOM 748 O GLU A 47 10.092 2.898 -2.946 1.00 51.32 O ATOM 749 CB GLU A 47 7.349 4.311 -3.841 1.00 44.23 C ATOM 750 CG GLU A 47 6.526 4.994 -4.919 1.00 73.03 C ATOM 751 CD GLU A 47 6.261 6.455 -4.613 1.00 51.14 C ATOM 752 OE1 GLU A 47 7.223 7.172 -4.268 1.00 44.42 O ATOM 753 OE2 GLU A 47 5.092 6.882 -4.718 1.00 73.12 O ATOM 0 H GLU A 47 6.275 2.366 -4.909 1.00 43.20 H new ATOM 0 HA GLU A 47 8.851 3.451 -5.117 1.00 41.04 H new ATOM 0 HB2 GLU A 47 6.684 3.979 -3.044 1.00 44.23 H new ATOM 0 HB3 GLU A 47 8.033 5.038 -3.403 1.00 44.23 H new ATOM 0 HG2 GLU A 47 7.047 4.915 -5.873 1.00 73.03 H new ATOM 0 HG3 GLU A 47 5.576 4.472 -5.031 1.00 73.03 H new ATOM 760 N LEU A 48 8.357 1.531 -2.524 1.00 35.30 N ATOM 761 CA LEU A 48 9.012 0.862 -1.406 1.00 44.21 C ATOM 762 C LEU A 48 10.323 0.219 -1.850 1.00 13.10 C ATOM 763 O LEU A 48 11.323 0.262 -1.132 1.00 10.10 O ATOM 764 CB LEU A 48 8.089 -0.198 -0.806 1.00 54.11 C ATOM 765 CG LEU A 48 6.941 0.324 0.060 1.00 31.32 C ATOM 766 CD1 LEU A 48 5.651 -0.414 -0.263 1.00 3.24 C ATOM 767 CD2 LEU A 48 7.282 0.186 1.536 1.00 21.31 C ATOM 0 H LEU A 48 7.418 1.189 -2.727 1.00 35.30 H new ATOM 0 HA LEU A 48 9.234 1.612 -0.646 1.00 44.21 H new ATOM 0 HB2 LEU A 48 7.665 -0.785 -1.621 1.00 54.11 H new ATOM 0 HB3 LEU A 48 8.692 -0.877 -0.204 1.00 54.11 H new ATOM 0 HG LEU A 48 6.795 1.381 -0.161 1.00 31.32 H new ATOM 0 HD11 LEU A 48 4.845 -0.029 0.363 1.00 3.24 H new ATOM 0 HD12 LEU A 48 5.399 -0.263 -1.313 1.00 3.24 H new ATOM 0 HD13 LEU A 48 5.783 -1.479 -0.071 1.00 3.24 H new ATOM 0 HD21 LEU A 48 6.454 0.562 2.137 1.00 21.31 H new ATOM 0 HD22 LEU A 48 7.455 -0.864 1.773 1.00 21.31 H new ATOM 0 HD23 LEU A 48 8.181 0.761 1.757 1.00 21.31 H new ATOM 779 N LYS A 49 10.311 -0.375 -3.039 1.00 2.04 N ATOM 780 CA LYS A 49 11.499 -1.025 -3.581 1.00 23.25 C ATOM 781 C LYS A 49 12.504 0.008 -4.081 1.00 33.04 C ATOM 782 O LYS A 49 13.712 -0.228 -4.060 1.00 74.45 O ATOM 783 CB LYS A 49 11.112 -1.969 -4.721 1.00 25.21 C ATOM 784 CG LYS A 49 10.087 -3.015 -4.323 1.00 75.50 C ATOM 785 CD LYS A 49 8.673 -2.564 -4.651 1.00 30.30 C ATOM 786 CE LYS A 49 7.728 -3.747 -4.794 1.00 62.24 C ATOM 787 NZ LYS A 49 7.772 -4.329 -6.164 1.00 3.12 N ATOM 0 H LYS A 49 9.492 -0.420 -3.645 1.00 2.04 H new ATOM 0 HA LYS A 49 11.965 -1.601 -2.782 1.00 23.25 H new ATOM 0 HB2 LYS A 49 10.716 -1.381 -5.549 1.00 25.21 H new ATOM 0 HB3 LYS A 49 12.008 -2.471 -5.086 1.00 25.21 H new ATOM 0 HG2 LYS A 49 10.301 -3.950 -4.840 1.00 75.50 H new ATOM 0 HG3 LYS A 49 10.167 -3.216 -3.255 1.00 75.50 H new ATOM 0 HD2 LYS A 49 8.311 -1.901 -3.866 1.00 30.30 H new ATOM 0 HD3 LYS A 49 8.679 -1.988 -5.577 1.00 30.30 H new ATOM 0 HE2 LYS A 49 7.992 -4.513 -4.065 1.00 62.24 H new ATOM 0 HE3 LYS A 49 6.711 -3.429 -4.567 1.00 62.24 H new ATOM 0 HZ1 LYS A 49 7.114 -5.133 -6.221 1.00 3.12 H new ATOM 0 HZ2 LYS A 49 7.495 -3.605 -6.858 1.00 3.12 H new ATOM 0 HZ3 LYS A 49 8.737 -4.656 -6.371 1.00 3.12 H new ATOM 801 N GLN A 50 11.997 1.153 -4.525 1.00 53.12 N ATOM 802 CA GLN A 50 12.852 2.222 -5.029 1.00 30.41 C ATOM 803 C GLN A 50 13.623 2.884 -3.892 1.00 65.35 C ATOM 804 O GLN A 50 13.176 2.890 -2.745 1.00 41.23 O ATOM 805 CB GLN A 50 12.014 3.267 -5.769 1.00 41.33 C ATOM 806 CG GLN A 50 11.264 2.709 -6.968 1.00 25.43 C ATOM 807 CD GLN A 50 12.119 1.783 -7.810 1.00 52.42 C ATOM 808 OE1 GLN A 50 13.149 2.188 -8.349 1.00 3.52 O ATOM 809 NE2 GLN A 50 11.694 0.531 -7.930 1.00 73.44 N ATOM 0 H GLN A 50 10.999 1.365 -4.546 1.00 53.12 H new ATOM 0 HA GLN A 50 13.569 1.783 -5.723 1.00 30.41 H new ATOM 0 HB2 GLN A 50 11.297 3.704 -5.074 1.00 41.33 H new ATOM 0 HB3 GLN A 50 12.667 4.074 -6.103 1.00 41.33 H new ATOM 0 HG2 GLN A 50 10.383 2.169 -6.622 1.00 25.43 H new ATOM 0 HG3 GLN A 50 10.910 3.534 -7.587 1.00 25.43 H new ATOM 0 HE21 GLN A 50 10.834 0.238 -7.466 1.00 73.44 H new ATOM 0 HE22 GLN A 50 12.227 -0.137 -8.486 1.00 73.44 H new ATOM 818 N LYS A 51 14.786 3.438 -4.218 1.00 2.34 N ATOM 819 CA LYS A 51 15.621 4.104 -3.225 1.00 32.14 C ATOM 820 C LYS A 51 15.294 5.592 -3.148 1.00 4.02 C ATOM 821 O LYS A 51 15.992 6.356 -2.482 1.00 45.31 O ATOM 822 CB LYS A 51 17.101 3.913 -3.563 1.00 71.33 C ATOM 823 CG LYS A 51 17.511 4.546 -4.881 1.00 10.53 C ATOM 824 CD LYS A 51 18.993 4.352 -5.157 1.00 32.52 C ATOM 825 CE LYS A 51 19.485 5.293 -6.245 1.00 72.55 C ATOM 826 NZ LYS A 51 19.340 4.694 -7.602 1.00 11.24 N ATOM 0 H LYS A 51 15.172 3.439 -5.162 1.00 2.34 H new ATOM 0 HA LYS A 51 15.415 3.654 -2.254 1.00 32.14 H new ATOM 0 HB2 LYS A 51 17.706 4.338 -2.762 1.00 71.33 H new ATOM 0 HB3 LYS A 51 17.322 2.846 -3.598 1.00 71.33 H new ATOM 0 HG2 LYS A 51 16.929 4.109 -5.692 1.00 10.53 H new ATOM 0 HG3 LYS A 51 17.280 5.611 -4.861 1.00 10.53 H new ATOM 0 HD2 LYS A 51 19.560 4.524 -4.242 1.00 32.52 H new ATOM 0 HD3 LYS A 51 19.176 3.320 -5.457 1.00 32.52 H new ATOM 0 HE2 LYS A 51 18.925 6.227 -6.198 1.00 72.55 H new ATOM 0 HE3 LYS A 51 20.532 5.540 -6.066 1.00 72.55 H new ATOM 0 HZ1 LYS A 51 19.686 5.366 -8.317 1.00 11.24 H new ATOM 0 HZ2 LYS A 51 19.895 3.816 -7.655 1.00 11.24 H new ATOM 0 HZ3 LYS A 51 18.338 4.482 -7.783 1.00 11.24 H new ATOM 840 N SER A 52 14.228 5.995 -3.831 1.00 45.42 N ATOM 841 CA SER A 52 13.811 7.392 -3.842 1.00 1.43 C ATOM 842 C SER A 52 12.934 7.706 -2.634 1.00 0.23 C ATOM 843 O SER A 52 13.377 8.351 -1.683 1.00 72.41 O ATOM 844 CB SER A 52 13.053 7.710 -5.133 1.00 31.44 C ATOM 845 OG SER A 52 13.948 7.941 -6.206 1.00 2.20 O ATOM 0 H SER A 52 13.637 5.374 -4.384 1.00 45.42 H new ATOM 0 HA SER A 52 14.705 8.013 -3.792 1.00 1.43 H new ATOM 0 HB2 SER A 52 12.388 6.882 -5.381 1.00 31.44 H new ATOM 0 HB3 SER A 52 12.426 8.589 -4.983 1.00 31.44 H new ATOM 0 HG SER A 52 13.439 8.140 -7.019 1.00 2.20 H new ATOM 851 N ALA A 53 11.688 7.246 -2.679 1.00 25.23 N ATOM 852 CA ALA A 53 10.749 7.475 -1.588 1.00 4.22 C ATOM 853 C ALA A 53 11.081 6.598 -0.385 1.00 11.14 C ATOM 854 O ALA A 53 11.348 5.405 -0.530 1.00 2.32 O ATOM 855 CB ALA A 53 9.325 7.218 -2.055 1.00 35.32 C ATOM 0 H ALA A 53 11.305 6.712 -3.460 1.00 25.23 H new ATOM 0 HA ALA A 53 10.835 8.517 -1.279 1.00 4.22 H new ATOM 0 HB1 ALA A 53 8.634 7.393 -1.230 1.00 35.32 H new ATOM 0 HB2 ALA A 53 9.085 7.891 -2.878 1.00 35.32 H new ATOM 0 HB3 ALA A 53 9.233 6.186 -2.392 1.00 35.32 H new ATOM 861 N SER A 54 11.061 7.196 0.802 1.00 13.30 N ATOM 862 CA SER A 54 11.363 6.470 2.030 1.00 42.15 C ATOM 863 C SER A 54 10.188 5.589 2.443 1.00 44.32 C ATOM 864 O SER A 54 9.039 5.865 2.098 1.00 23.43 O ATOM 865 CB SER A 54 11.702 7.449 3.156 1.00 25.11 C ATOM 866 OG SER A 54 12.937 7.115 3.766 1.00 13.44 O ATOM 0 H SER A 54 10.839 8.182 0.939 1.00 13.30 H new ATOM 0 HA SER A 54 12.226 5.831 1.842 1.00 42.15 H new ATOM 0 HB2 SER A 54 11.751 8.463 2.759 1.00 25.11 H new ATOM 0 HB3 SER A 54 10.909 7.438 3.903 1.00 25.11 H new ATOM 0 HG SER A 54 13.133 7.756 4.481 1.00 13.44 H new ATOM 872 N VAL A 55 10.487 4.525 3.183 1.00 14.55 N ATOM 873 CA VAL A 55 9.457 3.603 3.645 1.00 74.41 C ATOM 874 C VAL A 55 8.320 4.349 4.337 1.00 3.01 C ATOM 875 O VAL A 55 7.156 4.256 3.947 1.00 12.30 O ATOM 876 CB VAL A 55 10.035 2.557 4.616 1.00 73.42 C ATOM 877 CG1 VAL A 55 8.983 2.128 5.628 1.00 31.02 C ATOM 878 CG2 VAL A 55 10.568 1.356 3.848 1.00 2.33 C ATOM 0 H VAL A 55 11.433 4.281 3.475 1.00 14.55 H new ATOM 0 HA VAL A 55 9.069 3.094 2.762 1.00 74.41 H new ATOM 0 HB VAL A 55 10.864 3.010 5.160 1.00 73.42 H new ATOM 0 HG11 VAL A 55 9.410 1.389 6.306 1.00 31.02 H new ATOM 0 HG12 VAL A 55 8.653 2.996 6.199 1.00 31.02 H new ATOM 0 HG13 VAL A 55 8.132 1.692 5.105 1.00 31.02 H new ATOM 0 HG21 VAL A 55 10.973 0.626 4.549 1.00 2.33 H new ATOM 0 HG22 VAL A 55 9.759 0.901 3.277 1.00 2.33 H new ATOM 0 HG23 VAL A 55 11.355 1.680 3.167 1.00 2.33 H new ATOM 888 N PRO A 56 8.665 5.106 5.388 1.00 13.54 N ATOM 889 CA PRO A 56 7.688 5.884 6.157 1.00 55.40 C ATOM 890 C PRO A 56 7.133 7.063 5.365 1.00 74.12 C ATOM 891 O PRO A 56 6.101 7.633 5.720 1.00 71.30 O ATOM 892 CB PRO A 56 8.496 6.381 7.358 1.00 42.50 C ATOM 893 CG PRO A 56 9.908 6.402 6.882 1.00 25.23 C ATOM 894 CD PRO A 56 10.033 5.263 5.908 1.00 63.31 C ATOM 0 HA PRO A 56 6.817 5.288 6.429 1.00 55.40 H new ATOM 0 HB2 PRO A 56 8.169 7.372 7.672 1.00 42.50 H new ATOM 0 HB3 PRO A 56 8.377 5.720 8.216 1.00 42.50 H new ATOM 0 HG2 PRO A 56 10.145 7.352 6.404 1.00 25.23 H new ATOM 0 HG3 PRO A 56 10.602 6.282 7.714 1.00 25.23 H new ATOM 0 HD2 PRO A 56 10.742 5.491 5.112 1.00 63.31 H new ATOM 0 HD3 PRO A 56 10.384 4.354 6.396 1.00 63.31 H new ATOM 902 N LEU A 57 7.823 7.424 4.288 1.00 3.52 N ATOM 903 CA LEU A 57 7.400 8.535 3.444 1.00 13.15 C ATOM 904 C LEU A 57 6.327 8.090 2.456 1.00 75.12 C ATOM 905 O LEU A 57 5.450 8.870 2.083 1.00 52.55 O ATOM 906 CB LEU A 57 8.597 9.114 2.688 1.00 60.40 C ATOM 907 CG LEU A 57 8.578 10.624 2.456 1.00 1.22 C ATOM 908 CD1 LEU A 57 9.996 11.163 2.328 1.00 74.44 C ATOM 909 CD2 LEU A 57 7.762 10.964 1.217 1.00 3.13 C ATOM 0 H LEU A 57 8.679 6.962 3.979 1.00 3.52 H new ATOM 0 HA LEU A 57 6.978 9.307 4.088 1.00 13.15 H new ATOM 0 HB2 LEU A 57 9.504 8.863 3.237 1.00 60.40 H new ATOM 0 HB3 LEU A 57 8.663 8.619 1.719 1.00 60.40 H new ATOM 0 HG LEU A 57 8.107 11.098 3.317 1.00 1.22 H new ATOM 0 HD11 LEU A 57 9.962 12.240 2.163 1.00 74.44 H new ATOM 0 HD12 LEU A 57 10.549 10.953 3.244 1.00 74.44 H new ATOM 0 HD13 LEU A 57 10.493 10.682 1.486 1.00 74.44 H new ATOM 0 HD21 LEU A 57 7.760 12.044 1.068 1.00 3.13 H new ATOM 0 HD22 LEU A 57 8.203 10.478 0.346 1.00 3.13 H new ATOM 0 HD23 LEU A 57 6.738 10.614 1.348 1.00 3.13 H new ATOM 921 N ILE A 58 6.400 6.831 2.039 1.00 52.05 N ATOM 922 CA ILE A 58 5.433 6.281 1.097 1.00 63.05 C ATOM 923 C ILE A 58 4.136 5.897 1.801 1.00 23.32 C ATOM 924 O ILE A 58 3.055 6.353 1.427 1.00 71.12 O ATOM 925 CB ILE A 58 5.995 5.044 0.370 1.00 3.33 C ATOM 926 CG1 ILE A 58 7.268 5.409 -0.396 1.00 12.31 C ATOM 927 CG2 ILE A 58 4.952 4.463 -0.572 1.00 13.13 C ATOM 928 CD1 ILE A 58 8.241 4.260 -0.534 1.00 73.15 C ATOM 0 H ILE A 58 7.119 6.172 2.339 1.00 52.05 H new ATOM 0 HA ILE A 58 5.228 7.061 0.364 1.00 63.05 H new ATOM 0 HB ILE A 58 6.246 4.288 1.114 1.00 3.33 H new ATOM 0 HG12 ILE A 58 6.995 5.764 -1.390 1.00 12.31 H new ATOM 0 HG13 ILE A 58 7.764 6.235 0.113 1.00 12.31 H new ATOM 0 HG21 ILE A 58 5.365 3.590 -1.078 1.00 13.13 H new ATOM 0 HG22 ILE A 58 4.070 4.169 -0.002 1.00 13.13 H new ATOM 0 HG23 ILE A 58 4.672 5.213 -1.312 1.00 13.13 H new ATOM 0 HD11 ILE A 58 9.119 4.592 -1.088 1.00 73.15 H new ATOM 0 HD12 ILE A 58 8.544 3.918 0.456 1.00 73.15 H new ATOM 0 HD13 ILE A 58 7.762 3.440 -1.070 1.00 73.15 H new ATOM 940 N LEU A 59 4.251 5.057 2.823 1.00 4.34 N ATOM 941 CA LEU A 59 3.088 4.613 3.584 1.00 74.33 C ATOM 942 C LEU A 59 2.342 5.801 4.181 1.00 2.12 C ATOM 943 O LEU A 59 1.127 5.751 4.375 1.00 4.13 O ATOM 944 CB LEU A 59 3.516 3.654 4.695 1.00 22.43 C ATOM 945 CG LEU A 59 3.955 2.259 4.246 1.00 22.12 C ATOM 946 CD1 LEU A 59 4.633 1.520 5.389 1.00 65.11 C ATOM 947 CD2 LEU A 59 2.763 1.467 3.728 1.00 64.32 C ATOM 0 H LEU A 59 5.138 4.669 3.144 1.00 4.34 H new ATOM 0 HA LEU A 59 2.416 4.092 2.902 1.00 74.33 H new ATOM 0 HB2 LEU A 59 4.338 4.112 5.246 1.00 22.43 H new ATOM 0 HB3 LEU A 59 2.686 3.545 5.393 1.00 22.43 H new ATOM 0 HG LEU A 59 4.674 2.368 3.434 1.00 22.12 H new ATOM 0 HD11 LEU A 59 4.939 0.530 5.051 1.00 65.11 H new ATOM 0 HD12 LEU A 59 5.510 2.079 5.714 1.00 65.11 H new ATOM 0 HD13 LEU A 59 3.937 1.421 6.222 1.00 65.11 H new ATOM 0 HD21 LEU A 59 3.093 0.477 3.413 1.00 64.32 H new ATOM 0 HD22 LEU A 59 2.021 1.367 4.520 1.00 64.32 H new ATOM 0 HD23 LEU A 59 2.320 1.989 2.880 1.00 64.32 H new ATOM 959 N SER A 60 3.077 6.870 4.470 1.00 54.41 N ATOM 960 CA SER A 60 2.485 8.072 5.047 1.00 74.11 C ATOM 961 C SER A 60 1.523 8.730 4.063 1.00 50.35 C ATOM 962 O SER A 60 0.329 8.858 4.336 1.00 50.03 O ATOM 963 CB SER A 60 3.579 9.063 5.448 1.00 21.01 C ATOM 964 OG SER A 60 3.034 10.344 5.717 1.00 65.44 O ATOM 0 H SER A 60 4.083 6.929 4.314 1.00 54.41 H new ATOM 0 HA SER A 60 1.925 7.781 5.936 1.00 74.11 H new ATOM 0 HB2 SER A 60 4.102 8.694 6.330 1.00 21.01 H new ATOM 0 HB3 SER A 60 4.316 9.139 4.649 1.00 21.01 H new ATOM 0 HG SER A 60 3.753 10.958 5.972 1.00 65.44 H new ATOM 970 N ARG A 61 2.051 9.147 2.917 1.00 44.44 N ATOM 971 CA ARG A 61 1.242 9.793 1.892 1.00 13.22 C ATOM 972 C ARG A 61 0.210 8.823 1.322 1.00 12.45 C ATOM 973 O ARG A 61 -0.933 9.200 1.065 1.00 62.21 O ATOM 974 CB ARG A 61 2.132 10.325 0.767 1.00 4.21 C ATOM 975 CG ARG A 61 2.500 11.792 0.924 1.00 21.41 C ATOM 976 CD ARG A 61 3.703 11.970 1.838 1.00 74.10 C ATOM 977 NE ARG A 61 4.038 13.378 2.032 1.00 44.33 N ATOM 978 CZ ARG A 61 4.977 13.801 2.871 1.00 22.53 C ATOM 979 NH1 ARG A 61 5.670 12.928 3.589 1.00 3.35 N ATOM 980 NH2 ARG A 61 5.225 15.099 2.993 1.00 72.10 N ATOM 0 H ARG A 61 3.037 9.049 2.675 1.00 44.44 H new ATOM 0 HA ARG A 61 0.716 10.628 2.355 1.00 13.22 H new ATOM 0 HB2 ARG A 61 3.046 9.732 0.727 1.00 4.21 H new ATOM 0 HB3 ARG A 61 1.620 10.187 -0.186 1.00 4.21 H new ATOM 0 HG2 ARG A 61 2.718 12.220 -0.054 1.00 21.41 H new ATOM 0 HG3 ARG A 61 1.650 12.340 1.329 1.00 21.41 H new ATOM 0 HD2 ARG A 61 3.496 11.510 2.804 1.00 74.10 H new ATOM 0 HD3 ARG A 61 4.561 11.448 1.414 1.00 74.10 H new ATOM 0 HE ARG A 61 3.523 14.075 1.494 1.00 44.33 H new ATOM 0 HH11 ARG A 61 5.483 11.930 3.498 1.00 3.35 H new ATOM 0 HH12 ARG A 61 6.391 13.255 4.233 1.00 3.35 H new ATOM 0 HH21 ARG A 61 4.694 15.774 2.442 1.00 72.10 H new ATOM 0 HH22 ARG A 61 5.946 15.422 3.638 1.00 72.10 H new ATOM 994 N MET A 62 0.623 7.576 1.128 1.00 40.34 N ATOM 995 CA MET A 62 -0.265 6.553 0.589 1.00 42.31 C ATOM 996 C MET A 62 -1.569 6.496 1.377 1.00 30.20 C ATOM 997 O MET A 62 -2.654 6.602 0.807 1.00 14.33 O ATOM 998 CB MET A 62 0.421 5.185 0.616 1.00 3.23 C ATOM 999 CG MET A 62 -0.455 4.056 0.099 1.00 61.23 C ATOM 1000 SD MET A 62 0.330 2.440 0.258 1.00 4.32 S ATOM 1001 CE MET A 62 -0.494 1.805 1.715 1.00 71.43 C ATOM 0 H MET A 62 1.567 7.249 1.336 1.00 40.34 H new ATOM 0 HA MET A 62 -0.496 6.815 -0.444 1.00 42.31 H new ATOM 0 HB2 MET A 62 1.330 5.232 0.017 1.00 3.23 H new ATOM 0 HB3 MET A 62 0.724 4.960 1.638 1.00 3.23 H new ATOM 0 HG2 MET A 62 -1.398 4.053 0.646 1.00 61.23 H new ATOM 0 HG3 MET A 62 -0.695 4.238 -0.949 1.00 61.23 H new ATOM 0 HE1 MET A 62 -0.115 0.809 1.942 1.00 71.43 H new ATOM 0 HE2 MET A 62 -0.302 2.467 2.559 1.00 71.43 H new ATOM 0 HE3 MET A 62 -1.567 1.752 1.532 1.00 71.43 H new ATOM 1011 N ASN A 63 -1.455 6.326 2.690 1.00 61.01 N ATOM 1012 CA ASN A 63 -2.626 6.254 3.556 1.00 34.04 C ATOM 1013 C ASN A 63 -3.533 7.464 3.348 1.00 52.24 C ATOM 1014 O ASN A 63 -4.756 7.334 3.290 1.00 34.21 O ATOM 1015 CB ASN A 63 -2.198 6.171 5.023 1.00 53.21 C ATOM 1016 CG ASN A 63 -3.338 5.764 5.937 1.00 51.34 C ATOM 1017 OD1 ASN A 63 -4.332 6.480 6.063 1.00 3.24 O ATOM 1018 ND2 ASN A 63 -3.200 4.610 6.578 1.00 71.02 N ATOM 0 H ASN A 63 -0.564 6.236 3.178 1.00 61.01 H new ATOM 0 HA ASN A 63 -3.184 5.355 3.295 1.00 34.04 H new ATOM 0 HB2 ASN A 63 -1.384 5.453 5.121 1.00 53.21 H new ATOM 0 HB3 ASN A 63 -1.809 7.139 5.340 1.00 53.21 H new ATOM 0 HD21 ASN A 63 -3.935 4.284 7.205 1.00 71.02 H new ATOM 0 HD22 ASN A 63 -2.359 4.049 6.443 1.00 71.02 H new ATOM 1025 N LEU A 64 -2.924 8.639 3.235 1.00 53.32 N ATOM 1026 CA LEU A 64 -3.676 9.873 3.031 1.00 44.11 C ATOM 1027 C LEU A 64 -4.260 9.930 1.624 1.00 44.13 C ATOM 1028 O LEU A 64 -5.202 10.677 1.361 1.00 42.22 O ATOM 1029 CB LEU A 64 -2.775 11.086 3.271 1.00 30.13 C ATOM 1030 CG LEU A 64 -2.066 11.139 4.626 1.00 72.15 C ATOM 1031 CD1 LEU A 64 -0.738 11.870 4.504 1.00 71.22 C ATOM 1032 CD2 LEU A 64 -2.952 11.807 5.666 1.00 4.12 C ATOM 0 H LEU A 64 -1.913 8.764 3.281 1.00 53.32 H new ATOM 0 HA LEU A 64 -4.499 9.890 3.746 1.00 44.11 H new ATOM 0 HB2 LEU A 64 -2.019 11.112 2.487 1.00 30.13 H new ATOM 0 HB3 LEU A 64 -3.378 11.988 3.163 1.00 30.13 H new ATOM 0 HG LEU A 64 -1.867 10.118 4.951 1.00 72.15 H new ATOM 0 HD11 LEU A 64 -0.247 11.898 5.477 1.00 71.22 H new ATOM 0 HD12 LEU A 64 -0.100 11.348 3.791 1.00 71.22 H new ATOM 0 HD13 LEU A 64 -0.914 12.888 4.157 1.00 71.22 H new ATOM 0 HD21 LEU A 64 -2.431 11.836 6.623 1.00 4.12 H new ATOM 0 HD22 LEU A 64 -3.183 12.824 5.348 1.00 4.12 H new ATOM 0 HD23 LEU A 64 -3.877 11.241 5.773 1.00 4.12 H new ATOM 1044 N ASP A 65 -3.695 9.133 0.723 1.00 50.32 N ATOM 1045 CA ASP A 65 -4.162 9.091 -0.659 1.00 64.44 C ATOM 1046 C ASP A 65 -5.324 8.115 -0.808 1.00 75.05 C ATOM 1047 O ASP A 65 -6.393 8.478 -1.304 1.00 45.53 O ATOM 1048 CB ASP A 65 -3.019 8.688 -1.593 1.00 71.33 C ATOM 1049 CG ASP A 65 -3.185 9.256 -2.988 1.00 53.42 C ATOM 1050 OD1 ASP A 65 -4.229 9.890 -3.250 1.00 53.41 O ATOM 1051 OD2 ASP A 65 -2.273 9.066 -3.820 1.00 11.03 O ATOM 0 H ASP A 65 -2.914 8.508 0.924 1.00 50.32 H new ATOM 0 HA ASP A 65 -4.509 10.088 -0.931 1.00 64.44 H new ATOM 0 HB2 ASP A 65 -2.073 9.031 -1.174 1.00 71.33 H new ATOM 0 HB3 ASP A 65 -2.966 7.601 -1.650 1.00 71.33 H new ATOM 1056 N ILE A 66 -5.111 6.876 -0.378 1.00 53.55 N ATOM 1057 CA ILE A 66 -6.142 5.849 -0.465 1.00 51.22 C ATOM 1058 C ILE A 66 -7.413 6.284 0.256 1.00 24.31 C ATOM 1059 O ILE A 66 -8.509 6.216 -0.299 1.00 41.13 O ATOM 1060 CB ILE A 66 -5.657 4.514 0.130 1.00 12.13 C ATOM 1061 CG1 ILE A 66 -4.347 4.082 -0.530 1.00 62.10 C ATOM 1062 CG2 ILE A 66 -6.722 3.441 -0.042 1.00 32.55 C ATOM 1063 CD1 ILE A 66 -3.798 2.780 0.012 1.00 31.14 C ATOM 0 H ILE A 66 -4.234 6.559 0.034 1.00 53.55 H new ATOM 0 HA ILE A 66 -6.359 5.707 -1.524 1.00 51.22 H new ATOM 0 HB ILE A 66 -5.476 4.652 1.196 1.00 12.13 H new ATOM 0 HG12 ILE A 66 -4.506 3.981 -1.604 1.00 62.10 H new ATOM 0 HG13 ILE A 66 -3.603 4.867 -0.391 1.00 62.10 H new ATOM 0 HG21 ILE A 66 -6.365 2.503 0.383 1.00 32.55 H new ATOM 0 HG22 ILE A 66 -7.634 3.748 0.470 1.00 32.55 H new ATOM 0 HG23 ILE A 66 -6.931 3.302 -1.103 1.00 32.55 H new ATOM 0 HD11 ILE A 66 -2.868 2.535 -0.502 1.00 31.14 H new ATOM 0 HD12 ILE A 66 -3.606 2.883 1.080 1.00 31.14 H new ATOM 0 HD13 ILE A 66 -4.523 1.983 -0.152 1.00 31.14 H new ATOM 1075 N SER A 67 -7.258 6.732 1.497 1.00 22.05 N ATOM 1076 CA SER A 67 -8.393 7.177 2.298 1.00 53.00 C ATOM 1077 C SER A 67 -9.184 8.257 1.565 1.00 60.11 C ATOM 1078 O SER A 67 -10.410 8.318 1.660 1.00 63.41 O ATOM 1079 CB SER A 67 -7.915 7.708 3.650 1.00 43.13 C ATOM 1080 OG SER A 67 -8.933 7.596 4.631 1.00 44.50 O ATOM 0 H SER A 67 -6.357 6.797 1.971 1.00 22.05 H new ATOM 0 HA SER A 67 -9.047 6.321 2.464 1.00 53.00 H new ATOM 0 HB2 SER A 67 -7.033 7.153 3.971 1.00 43.13 H new ATOM 0 HB3 SER A 67 -7.616 8.751 3.549 1.00 43.13 H new ATOM 0 HG SER A 67 -8.602 7.941 5.487 1.00 44.50 H new ATOM 1086 N LYS A 68 -8.472 9.108 0.834 1.00 52.23 N ATOM 1087 CA LYS A 68 -9.104 10.187 0.083 1.00 75.32 C ATOM 1088 C LYS A 68 -9.857 9.640 -1.126 1.00 22.41 C ATOM 1089 O LYS A 68 -10.965 10.080 -1.430 1.00 43.13 O ATOM 1090 CB LYS A 68 -8.054 11.202 -0.373 1.00 13.24 C ATOM 1091 CG LYS A 68 -8.035 12.473 0.459 1.00 33.41 C ATOM 1092 CD LYS A 68 -6.907 13.399 0.036 1.00 72.22 C ATOM 1093 CE LYS A 68 -6.378 14.204 1.212 1.00 43.22 C ATOM 1094 NZ LYS A 68 -5.424 15.262 0.776 1.00 71.03 N ATOM 0 H LYS A 68 -7.457 9.072 0.745 1.00 52.23 H new ATOM 0 HA LYS A 68 -9.818 10.683 0.740 1.00 75.32 H new ATOM 0 HB2 LYS A 68 -7.069 10.737 -0.333 1.00 13.24 H new ATOM 0 HB3 LYS A 68 -8.241 11.462 -1.415 1.00 13.24 H new ATOM 0 HG2 LYS A 68 -8.989 12.990 0.357 1.00 33.41 H new ATOM 0 HG3 LYS A 68 -7.922 12.218 1.513 1.00 33.41 H new ATOM 0 HD2 LYS A 68 -6.097 12.813 -0.399 1.00 72.22 H new ATOM 0 HD3 LYS A 68 -7.263 14.077 -0.740 1.00 72.22 H new ATOM 0 HE2 LYS A 68 -7.212 14.663 1.742 1.00 43.22 H new ATOM 0 HE3 LYS A 68 -5.882 13.536 1.916 1.00 43.22 H new ATOM 0 HZ1 LYS A 68 -5.086 15.788 1.607 1.00 71.03 H new ATOM 0 HZ2 LYS A 68 -4.615 14.822 0.292 1.00 71.03 H new ATOM 0 HZ3 LYS A 68 -5.904 15.915 0.124 1.00 71.03 H new ATOM 1108 N ALA A 69 -9.249 8.676 -1.810 1.00 25.34 N ATOM 1109 CA ALA A 69 -9.862 8.066 -2.983 1.00 32.33 C ATOM 1110 C ALA A 69 -11.219 7.458 -2.639 1.00 24.10 C ATOM 1111 O ALA A 69 -12.048 7.231 -3.520 1.00 30.23 O ATOM 1112 CB ALA A 69 -8.941 7.008 -3.571 1.00 31.20 C ATOM 0 H ALA A 69 -8.331 8.301 -1.571 1.00 25.34 H new ATOM 0 HA ALA A 69 -10.020 8.847 -3.727 1.00 32.33 H new ATOM 0 HB1 ALA A 69 -9.412 6.561 -4.446 1.00 31.20 H new ATOM 0 HB2 ALA A 69 -7.997 7.469 -3.862 1.00 31.20 H new ATOM 0 HB3 ALA A 69 -8.753 6.235 -2.826 1.00 31.20 H new ATOM 1118 N ILE A 70 -11.436 7.197 -1.354 1.00 72.14 N ATOM 1119 CA ILE A 70 -12.691 6.615 -0.896 1.00 23.13 C ATOM 1120 C ILE A 70 -13.859 7.566 -1.140 1.00 22.43 C ATOM 1121 O ILE A 70 -14.702 7.320 -2.002 1.00 41.24 O ATOM 1122 CB ILE A 70 -12.634 6.264 0.603 1.00 11.04 C ATOM 1123 CG1 ILE A 70 -11.335 5.525 0.927 1.00 24.44 C ATOM 1124 CG2 ILE A 70 -13.841 5.424 0.996 1.00 3.10 C ATOM 1125 CD1 ILE A 70 -11.275 5.001 2.345 1.00 11.21 C ATOM 0 H ILE A 70 -10.760 7.379 -0.613 1.00 72.14 H new ATOM 0 HA ILE A 70 -12.844 5.701 -1.470 1.00 23.13 H new ATOM 0 HB ILE A 70 -12.656 7.189 1.179 1.00 11.04 H new ATOM 0 HG12 ILE A 70 -11.219 4.691 0.235 1.00 24.44 H new ATOM 0 HG13 ILE A 70 -10.493 6.197 0.761 1.00 24.44 H new ATOM 0 HG21 ILE A 70 -13.787 5.184 2.058 1.00 3.10 H new ATOM 0 HG22 ILE A 70 -14.755 5.984 0.797 1.00 3.10 H new ATOM 0 HG23 ILE A 70 -13.847 4.502 0.415 1.00 3.10 H new ATOM 0 HD11 ILE A 70 -10.326 4.488 2.504 1.00 11.21 H new ATOM 0 HD12 ILE A 70 -11.359 5.833 3.044 1.00 11.21 H new ATOM 0 HD13 ILE A 70 -12.096 4.304 2.510 1.00 11.21 H new ATOM 1137 N ARG A 71 -13.899 8.652 -0.376 1.00 34.51 N ATOM 1138 CA ARG A 71 -14.963 9.640 -0.510 1.00 20.31 C ATOM 1139 C ARG A 71 -14.949 10.269 -1.899 1.00 12.12 C ATOM 1140 O ARG A 71 -15.986 10.376 -2.554 1.00 4.32 O ATOM 1141 CB ARG A 71 -14.815 10.728 0.557 1.00 74.23 C ATOM 1142 CG ARG A 71 -13.440 11.374 0.579 1.00 2.55 C ATOM 1143 CD ARG A 71 -13.015 11.728 1.995 1.00 1.55 C ATOM 1144 NE ARG A 71 -12.088 10.746 2.550 1.00 62.02 N ATOM 1145 CZ ARG A 71 -11.684 10.748 3.816 1.00 13.53 C ATOM 1146 NH1 ARG A 71 -12.124 11.678 4.653 1.00 3.51 N ATOM 1147 NH2 ARG A 71 -10.839 9.821 4.247 1.00 43.12 N ATOM 0 H ARG A 71 -13.208 8.870 0.342 1.00 34.51 H new ATOM 0 HA ARG A 71 -15.917 9.131 -0.371 1.00 20.31 H new ATOM 0 HB2 ARG A 71 -15.567 11.498 0.385 1.00 74.23 H new ATOM 0 HB3 ARG A 71 -15.020 10.295 1.536 1.00 74.23 H new ATOM 0 HG2 ARG A 71 -12.710 10.695 0.138 1.00 2.55 H new ATOM 0 HG3 ARG A 71 -13.450 12.274 -0.035 1.00 2.55 H new ATOM 0 HD2 ARG A 71 -12.545 12.712 1.997 1.00 1.55 H new ATOM 0 HD3 ARG A 71 -13.897 11.795 2.632 1.00 1.55 H new ATOM 0 HE ARG A 71 -11.731 10.018 1.932 1.00 62.02 H new ATOM 0 HH11 ARG A 71 -12.773 12.393 4.325 1.00 3.51 H new ATOM 0 HH12 ARG A 71 -11.813 11.678 5.624 1.00 3.51 H new ATOM 0 HH21 ARG A 71 -10.498 9.104 3.606 1.00 43.12 H new ATOM 0 HH22 ARG A 71 -10.530 9.825 5.219 1.00 43.12 H new ATOM 1161 N ASN A 72 -13.767 10.685 -2.343 1.00 55.23 N ATOM 1162 CA ASN A 72 -13.619 11.305 -3.655 1.00 60.45 C ATOM 1163 C ASN A 72 -14.180 10.403 -4.750 1.00 61.24 C ATOM 1164 O ASN A 72 -15.284 10.628 -5.248 1.00 64.35 O ATOM 1165 CB ASN A 72 -12.146 11.608 -3.935 1.00 4.14 C ATOM 1166 CG ASN A 72 -11.712 12.944 -3.364 1.00 11.12 C ATOM 1167 OD1 ASN A 72 -11.548 13.921 -4.096 1.00 4.02 O ATOM 1168 ND2 ASN A 72 -11.524 12.994 -2.051 1.00 20.22 N ATOM 0 H ASN A 72 -12.899 10.604 -1.814 1.00 55.23 H new ATOM 0 HA ASN A 72 -14.182 12.238 -3.653 1.00 60.45 H new ATOM 0 HB2 ASN A 72 -11.528 10.817 -3.511 1.00 4.14 H new ATOM 0 HB3 ASN A 72 -11.975 11.603 -5.012 1.00 4.14 H new ATOM 0 HD21 ASN A 72 -11.232 13.866 -1.610 1.00 20.22 H new ATOM 0 HD22 ASN A 72 -11.672 12.160 -1.483 1.00 20.22 H new ATOM 1175 N ASP A 73 -13.414 9.382 -5.119 1.00 13.15 N ATOM 1176 CA ASP A 73 -13.835 8.445 -6.153 1.00 34.31 C ATOM 1177 C ASP A 73 -15.207 7.858 -5.830 1.00 43.54 C ATOM 1178 O ASP A 73 -16.117 7.893 -6.655 1.00 52.21 O ATOM 1179 CB ASP A 73 -12.809 7.321 -6.301 1.00 43.02 C ATOM 1180 CG ASP A 73 -12.833 6.692 -7.681 1.00 21.24 C ATOM 1181 OD1 ASP A 73 -13.044 7.431 -8.665 1.00 33.42 O ATOM 1182 OD2 ASP A 73 -12.642 5.461 -7.776 1.00 14.12 O ATOM 0 H ASP A 73 -12.498 9.183 -4.717 1.00 13.15 H new ATOM 0 HA ASP A 73 -13.905 8.990 -7.095 1.00 34.31 H new ATOM 0 HB2 ASP A 73 -11.812 7.714 -6.102 1.00 43.02 H new ATOM 0 HB3 ASP A 73 -13.004 6.554 -5.552 1.00 43.02 H new ATOM 1187 N GLY A 74 -15.344 7.319 -4.622 1.00 50.44 N ATOM 1188 CA GLY A 74 -16.607 6.733 -4.212 1.00 61.34 C ATOM 1189 C GLY A 74 -16.506 5.235 -3.996 1.00 31.43 C ATOM 1190 O GLY A 74 -17.520 4.551 -3.860 1.00 73.22 O ATOM 0 H GLY A 74 -14.604 7.278 -3.921 1.00 50.44 H new ATOM 0 HA2 GLY A 74 -16.943 7.208 -3.290 1.00 61.34 H new ATOM 0 HA3 GLY A 74 -17.363 6.938 -4.970 1.00 61.34 H new ATOM 1194 N VAL A 75 -15.279 4.724 -3.964 1.00 31.42 N ATOM 1195 CA VAL A 75 -15.051 3.298 -3.762 1.00 43.11 C ATOM 1196 C VAL A 75 -14.970 2.959 -2.279 1.00 34.23 C ATOM 1197 O VAL A 75 -14.282 3.633 -1.511 1.00 61.22 O ATOM 1198 CB VAL A 75 -13.755 2.835 -4.455 1.00 0.02 C ATOM 1199 CG1 VAL A 75 -13.529 1.349 -4.225 1.00 65.54 C ATOM 1200 CG2 VAL A 75 -13.803 3.151 -5.942 1.00 10.44 C ATOM 0 H VAL A 75 -14.428 5.276 -4.075 1.00 31.42 H new ATOM 0 HA VAL A 75 -15.899 2.775 -4.205 1.00 43.11 H new ATOM 0 HB VAL A 75 -12.917 3.378 -4.019 1.00 0.02 H new ATOM 0 HG11 VAL A 75 -12.609 1.040 -4.722 1.00 65.54 H new ATOM 0 HG12 VAL A 75 -13.447 1.155 -3.156 1.00 65.54 H new ATOM 0 HG13 VAL A 75 -14.369 0.786 -4.633 1.00 65.54 H new ATOM 0 HG21 VAL A 75 -12.879 2.817 -6.415 1.00 10.44 H new ATOM 0 HG22 VAL A 75 -14.650 2.637 -6.396 1.00 10.44 H new ATOM 0 HG23 VAL A 75 -13.914 4.226 -6.082 1.00 10.44 H new ATOM 1210 N THR A 76 -15.679 1.907 -1.879 1.00 11.21 N ATOM 1211 CA THR A 76 -15.689 1.478 -0.486 1.00 63.32 C ATOM 1212 C THR A 76 -14.787 0.266 -0.277 1.00 74.12 C ATOM 1213 O THR A 76 -14.895 -0.732 -0.993 1.00 0.25 O ATOM 1214 CB THR A 76 -17.114 1.129 -0.016 1.00 63.02 C ATOM 1215 OG1 THR A 76 -17.991 2.237 -0.244 1.00 51.53 O ATOM 1216 CG2 THR A 76 -17.123 0.764 1.461 1.00 52.41 C ATOM 0 H THR A 76 -16.253 1.337 -2.500 1.00 11.21 H new ATOM 0 HA THR A 76 -15.313 2.314 0.104 1.00 63.32 H new ATOM 0 HB THR A 76 -17.460 0.269 -0.589 1.00 63.02 H new ATOM 0 HG1 THR A 76 -18.895 2.006 0.056 1.00 51.53 H new ATOM 0 HG21 THR A 76 -18.140 0.522 1.770 1.00 52.41 H new ATOM 0 HG22 THR A 76 -16.478 -0.099 1.626 1.00 52.41 H new ATOM 0 HG23 THR A 76 -16.758 1.608 2.047 1.00 52.41 H new ATOM 1224 N LEU A 77 -13.898 0.359 0.706 1.00 53.45 N ATOM 1225 CA LEU A 77 -12.976 -0.731 1.008 1.00 12.11 C ATOM 1226 C LEU A 77 -13.696 -1.870 1.722 1.00 74.23 C ATOM 1227 O LEU A 77 -14.545 -1.638 2.583 1.00 72.55 O ATOM 1228 CB LEU A 77 -11.821 -0.222 1.871 1.00 23.43 C ATOM 1229 CG LEU A 77 -11.112 1.037 1.371 1.00 11.33 C ATOM 1230 CD1 LEU A 77 -10.626 1.877 2.542 1.00 54.33 C ATOM 1231 CD2 LEU A 77 -9.952 0.669 0.458 1.00 30.55 C ATOM 0 H LEU A 77 -13.796 1.177 1.307 1.00 53.45 H new ATOM 0 HA LEU A 77 -12.579 -1.111 0.067 1.00 12.11 H new ATOM 0 HB2 LEU A 77 -12.202 -0.026 2.873 1.00 23.43 H new ATOM 0 HB3 LEU A 77 -11.083 -1.019 1.961 1.00 23.43 H new ATOM 0 HG LEU A 77 -11.825 1.629 0.798 1.00 11.33 H new ATOM 0 HD11 LEU A 77 -10.124 2.769 2.167 1.00 54.33 H new ATOM 0 HD12 LEU A 77 -11.477 2.171 3.157 1.00 54.33 H new ATOM 0 HD13 LEU A 77 -9.928 1.294 3.143 1.00 54.33 H new ATOM 0 HD21 LEU A 77 -9.459 1.577 0.112 1.00 30.55 H new ATOM 0 HD22 LEU A 77 -9.238 0.055 1.007 1.00 30.55 H new ATOM 0 HD23 LEU A 77 -10.327 0.110 -0.400 1.00 30.55 H new ATOM 1243 N SER A 78 -13.350 -3.101 1.360 1.00 72.42 N ATOM 1244 CA SER A 78 -13.964 -4.277 1.964 1.00 32.12 C ATOM 1245 C SER A 78 -13.434 -4.502 3.378 1.00 54.31 C ATOM 1246 O SER A 78 -12.505 -3.825 3.818 1.00 62.22 O ATOM 1247 CB SER A 78 -13.700 -5.515 1.105 1.00 21.24 C ATOM 1248 OG SER A 78 -14.592 -5.574 0.005 1.00 1.05 O ATOM 0 H SER A 78 -12.647 -3.310 0.651 1.00 72.42 H new ATOM 0 HA SER A 78 -15.039 -4.106 2.021 1.00 32.12 H new ATOM 0 HB2 SER A 78 -12.672 -5.497 0.743 1.00 21.24 H new ATOM 0 HB3 SER A 78 -13.808 -6.413 1.713 1.00 21.24 H new ATOM 0 HG SER A 78 -14.303 -6.277 -0.613 1.00 1.05 H new ATOM 1254 N ASP A 79 -14.033 -5.454 4.082 1.00 20.34 N ATOM 1255 CA ASP A 79 -13.622 -5.769 5.446 1.00 74.55 C ATOM 1256 C ASP A 79 -12.117 -6.009 5.518 1.00 75.32 C ATOM 1257 O ASP A 79 -11.398 -5.299 6.221 1.00 70.14 O ATOM 1258 CB ASP A 79 -14.372 -7.001 5.956 1.00 60.04 C ATOM 1259 CG ASP A 79 -15.786 -6.677 6.397 1.00 51.34 C ATOM 1260 OD1 ASP A 79 -15.967 -6.296 7.572 1.00 34.43 O ATOM 1261 OD2 ASP A 79 -16.711 -6.806 5.568 1.00 54.42 O ATOM 0 H ASP A 79 -14.805 -6.022 3.732 1.00 20.34 H new ATOM 0 HA ASP A 79 -13.867 -4.916 6.079 1.00 74.55 H new ATOM 0 HB2 ASP A 79 -14.404 -7.755 5.169 1.00 60.04 H new ATOM 0 HB3 ASP A 79 -13.824 -7.436 6.792 1.00 60.04 H new ATOM 1266 N TYR A 80 -11.649 -7.015 4.787 1.00 45.44 N ATOM 1267 CA TYR A 80 -10.229 -7.350 4.771 1.00 71.34 C ATOM 1268 C TYR A 80 -9.389 -6.145 4.360 1.00 41.51 C ATOM 1269 O TYR A 80 -8.302 -5.922 4.892 1.00 60.40 O ATOM 1270 CB TYR A 80 -9.970 -8.516 3.814 1.00 35.13 C ATOM 1271 CG TYR A 80 -10.354 -8.221 2.383 1.00 53.34 C ATOM 1272 CD1 TYR A 80 -11.648 -8.445 1.928 1.00 3.24 C ATOM 1273 CD2 TYR A 80 -9.423 -7.718 1.483 1.00 41.23 C ATOM 1274 CE1 TYR A 80 -12.002 -8.177 0.620 1.00 31.31 C ATOM 1275 CE2 TYR A 80 -9.768 -7.446 0.173 1.00 13.14 C ATOM 1276 CZ TYR A 80 -11.059 -7.678 -0.253 1.00 40.32 C ATOM 1277 OH TYR A 80 -11.409 -7.409 -1.557 1.00 63.10 O ATOM 0 H TYR A 80 -12.231 -7.612 4.199 1.00 45.44 H new ATOM 0 HA TYR A 80 -9.940 -7.644 5.780 1.00 71.34 H new ATOM 0 HB2 TYR A 80 -8.912 -8.777 3.851 1.00 35.13 H new ATOM 0 HB3 TYR A 80 -10.526 -9.388 4.158 1.00 35.13 H new ATOM 0 HD1 TYR A 80 -12.390 -8.835 2.609 1.00 3.24 H new ATOM 0 HD2 TYR A 80 -8.411 -7.536 1.813 1.00 41.23 H new ATOM 0 HE1 TYR A 80 -13.012 -8.357 0.283 1.00 31.31 H new ATOM 0 HE2 TYR A 80 -9.031 -7.054 -0.513 1.00 13.14 H new ATOM 0 HH TYR A 80 -10.630 -7.062 -2.040 1.00 63.10 H new ATOM 1287 N GLN A 81 -9.902 -5.370 3.409 1.00 71.34 N ATOM 1288 CA GLN A 81 -9.200 -4.188 2.926 1.00 44.53 C ATOM 1289 C GLN A 81 -8.937 -3.207 4.065 1.00 62.44 C ATOM 1290 O GLN A 81 -7.807 -3.075 4.534 1.00 13.32 O ATOM 1291 CB GLN A 81 -10.009 -3.503 1.823 1.00 4.54 C ATOM 1292 CG GLN A 81 -9.792 -4.106 0.445 1.00 21.01 C ATOM 1293 CD GLN A 81 -9.869 -3.075 -0.662 1.00 14.43 C ATOM 1294 OE1 GLN A 81 -10.480 -2.017 -0.500 1.00 34.21 O ATOM 1295 NE2 GLN A 81 -9.249 -3.376 -1.797 1.00 44.50 N ATOM 0 H GLN A 81 -10.801 -5.540 2.958 1.00 71.34 H new ATOM 0 HA GLN A 81 -8.241 -4.508 2.518 1.00 44.53 H new ATOM 0 HB2 GLN A 81 -11.069 -3.560 2.072 1.00 4.54 H new ATOM 0 HB3 GLN A 81 -9.745 -2.446 1.793 1.00 4.54 H new ATOM 0 HG2 GLN A 81 -8.817 -4.593 0.415 1.00 21.01 H new ATOM 0 HG3 GLN A 81 -10.540 -4.879 0.269 1.00 21.01 H new ATOM 0 HE21 GLN A 81 -8.755 -4.264 -1.888 1.00 44.50 H new ATOM 0 HE22 GLN A 81 -9.267 -2.720 -2.578 1.00 44.50 H new ATOM 1304 N SER A 82 -9.989 -2.523 4.504 1.00 21.20 N ATOM 1305 CA SER A 82 -9.871 -1.552 5.585 1.00 74.23 C ATOM 1306 C SER A 82 -9.125 -2.150 6.774 1.00 14.31 C ATOM 1307 O SER A 82 -8.406 -1.450 7.487 1.00 34.31 O ATOM 1308 CB SER A 82 -11.257 -1.076 6.025 1.00 74.15 C ATOM 1309 OG SER A 82 -11.166 -0.177 7.115 1.00 3.52 O ATOM 0 H SER A 82 -10.932 -2.623 4.128 1.00 21.20 H new ATOM 0 HA SER A 82 -9.303 -0.699 5.214 1.00 74.23 H new ATOM 0 HB2 SER A 82 -11.760 -0.589 5.189 1.00 74.15 H new ATOM 0 HB3 SER A 82 -11.867 -1.934 6.308 1.00 74.15 H new ATOM 0 HG SER A 82 -12.065 0.113 7.376 1.00 3.52 H new ATOM 1315 N LYS A 83 -9.304 -3.450 6.982 1.00 44.32 N ATOM 1316 CA LYS A 83 -8.648 -4.146 8.084 1.00 53.41 C ATOM 1317 C LYS A 83 -7.137 -4.190 7.877 1.00 22.03 C ATOM 1318 O LYS A 83 -6.367 -3.874 8.783 1.00 1.03 O ATOM 1319 CB LYS A 83 -9.197 -5.569 8.214 1.00 11.53 C ATOM 1320 CG LYS A 83 -10.481 -5.653 9.021 1.00 65.22 C ATOM 1321 CD LYS A 83 -10.986 -7.083 9.116 1.00 22.34 C ATOM 1322 CE LYS A 83 -12.142 -7.202 10.098 1.00 14.43 C ATOM 1323 NZ LYS A 83 -11.666 -7.288 11.507 1.00 74.12 N ATOM 0 H LYS A 83 -9.898 -4.043 6.402 1.00 44.32 H new ATOM 0 HA LYS A 83 -8.856 -3.597 9.003 1.00 53.41 H new ATOM 0 HB2 LYS A 83 -9.377 -5.973 7.218 1.00 11.53 H new ATOM 0 HB3 LYS A 83 -8.441 -6.200 8.682 1.00 11.53 H new ATOM 0 HG2 LYS A 83 -10.309 -5.259 10.023 1.00 65.22 H new ATOM 0 HG3 LYS A 83 -11.244 -5.026 8.559 1.00 65.22 H new ATOM 0 HD2 LYS A 83 -11.307 -7.423 8.131 1.00 22.34 H new ATOM 0 HD3 LYS A 83 -10.172 -7.737 9.429 1.00 22.34 H new ATOM 0 HE2 LYS A 83 -12.801 -6.341 9.989 1.00 14.43 H new ATOM 0 HE3 LYS A 83 -12.732 -8.087 9.859 1.00 14.43 H new ATOM 0 HZ1 LYS A 83 -12.483 -7.368 12.145 1.00 74.12 H new ATOM 0 HZ2 LYS A 83 -11.057 -8.124 11.617 1.00 74.12 H new ATOM 0 HZ3 LYS A 83 -11.125 -6.432 11.743 1.00 74.12 H new ATOM 1337 N LYS A 84 -6.719 -4.582 6.678 1.00 23.34 N ATOM 1338 CA LYS A 84 -5.301 -4.665 6.351 1.00 2.12 C ATOM 1339 C LYS A 84 -4.648 -3.288 6.407 1.00 11.30 C ATOM 1340 O LYS A 84 -3.427 -3.172 6.519 1.00 34.24 O ATOM 1341 CB LYS A 84 -5.113 -5.275 4.960 1.00 42.45 C ATOM 1342 CG LYS A 84 -5.095 -4.247 3.842 1.00 10.34 C ATOM 1343 CD LYS A 84 -3.676 -3.873 3.449 1.00 73.41 C ATOM 1344 CE LYS A 84 -3.641 -2.582 2.647 1.00 40.11 C ATOM 1345 NZ LYS A 84 -2.984 -2.768 1.323 1.00 72.40 N ATOM 0 H LYS A 84 -7.343 -4.847 5.916 1.00 23.34 H new ATOM 0 HA LYS A 84 -4.820 -5.305 7.090 1.00 2.12 H new ATOM 0 HB2 LYS A 84 -4.178 -5.836 4.942 1.00 42.45 H new ATOM 0 HB3 LYS A 84 -5.916 -5.988 4.774 1.00 42.45 H new ATOM 0 HG2 LYS A 84 -5.621 -4.644 2.974 1.00 10.34 H new ATOM 0 HG3 LYS A 84 -5.633 -3.354 4.160 1.00 10.34 H new ATOM 0 HD2 LYS A 84 -3.066 -3.762 4.346 1.00 73.41 H new ATOM 0 HD3 LYS A 84 -3.236 -4.679 2.862 1.00 73.41 H new ATOM 0 HE2 LYS A 84 -4.658 -2.218 2.500 1.00 40.11 H new ATOM 0 HE3 LYS A 84 -3.108 -1.818 3.213 1.00 40.11 H new ATOM 0 HZ1 LYS A 84 -3.333 -2.048 0.658 1.00 72.40 H new ATOM 0 HZ2 LYS A 84 -1.954 -2.671 1.430 1.00 72.40 H new ATOM 0 HZ3 LYS A 84 -3.206 -3.715 0.955 1.00 72.40 H new ATOM 1359 N LEU A 85 -5.469 -2.246 6.327 1.00 2.31 N ATOM 1360 CA LEU A 85 -4.972 -0.875 6.371 1.00 2.41 C ATOM 1361 C LEU A 85 -4.415 -0.541 7.751 1.00 75.24 C ATOM 1362 O LEU A 85 -3.445 0.208 7.876 1.00 24.54 O ATOM 1363 CB LEU A 85 -6.088 0.105 6.008 1.00 34.11 C ATOM 1364 CG LEU A 85 -5.649 1.398 5.319 1.00 2.31 C ATOM 1365 CD1 LEU A 85 -5.514 1.185 3.819 1.00 2.22 C ATOM 1366 CD2 LEU A 85 -6.634 2.520 5.613 1.00 24.23 C ATOM 0 H LEU A 85 -6.481 -2.325 6.231 1.00 2.31 H new ATOM 0 HA LEU A 85 -4.166 -0.784 5.643 1.00 2.41 H new ATOM 0 HB2 LEU A 85 -6.796 -0.407 5.357 1.00 34.11 H new ATOM 0 HB3 LEU A 85 -6.625 0.367 6.920 1.00 34.11 H new ATOM 0 HG LEU A 85 -4.674 1.684 5.714 1.00 2.31 H new ATOM 0 HD11 LEU A 85 -5.201 2.116 3.346 1.00 2.22 H new ATOM 0 HD12 LEU A 85 -4.770 0.412 3.627 1.00 2.22 H new ATOM 0 HD13 LEU A 85 -6.474 0.874 3.408 1.00 2.22 H new ATOM 0 HD21 LEU A 85 -6.306 3.432 5.115 1.00 24.23 H new ATOM 0 HD22 LEU A 85 -7.622 2.242 5.247 1.00 24.23 H new ATOM 0 HD23 LEU A 85 -6.681 2.691 6.689 1.00 24.23 H new ATOM 1378 N LYS A 86 -5.034 -1.102 8.784 1.00 64.42 N ATOM 1379 CA LYS A 86 -4.599 -0.867 10.156 1.00 70.15 C ATOM 1380 C LYS A 86 -3.277 -1.576 10.437 1.00 50.04 C ATOM 1381 O LYS A 86 -2.663 -1.370 11.482 1.00 22.54 O ATOM 1382 CB LYS A 86 -5.667 -1.348 11.141 1.00 73.24 C ATOM 1383 CG LYS A 86 -5.649 -2.850 11.373 1.00 42.43 C ATOM 1384 CD LYS A 86 -5.046 -3.197 12.723 1.00 5.42 C ATOM 1385 CE LYS A 86 -4.472 -4.606 12.732 1.00 22.02 C ATOM 1386 NZ LYS A 86 -5.537 -5.637 12.876 1.00 23.41 N ATOM 0 H LYS A 86 -5.839 -1.723 8.697 1.00 64.42 H new ATOM 0 HA LYS A 86 -4.451 0.205 10.285 1.00 70.15 H new ATOM 0 HB2 LYS A 86 -5.525 -0.840 12.095 1.00 73.24 H new ATOM 0 HB3 LYS A 86 -6.650 -1.058 10.769 1.00 73.24 H new ATOM 0 HG2 LYS A 86 -6.665 -3.240 11.316 1.00 42.43 H new ATOM 0 HG3 LYS A 86 -5.077 -3.335 10.582 1.00 42.43 H new ATOM 0 HD2 LYS A 86 -4.261 -2.482 12.966 1.00 5.42 H new ATOM 0 HD3 LYS A 86 -5.809 -3.109 13.497 1.00 5.42 H new ATOM 0 HE2 LYS A 86 -3.921 -4.780 11.808 1.00 22.02 H new ATOM 0 HE3 LYS A 86 -3.759 -4.703 13.551 1.00 22.02 H new ATOM 0 HZ1 LYS A 86 -5.106 -6.583 12.878 1.00 23.41 H new ATOM 0 HZ2 LYS A 86 -6.047 -5.487 13.770 1.00 23.41 H new ATOM 0 HZ3 LYS A 86 -6.203 -5.562 12.081 1.00 23.41 H new ATOM 1400 N GLU A 87 -2.847 -2.411 9.495 1.00 11.23 N ATOM 1401 CA GLU A 87 -1.598 -3.148 9.643 1.00 3.23 C ATOM 1402 C GLU A 87 -0.399 -2.207 9.578 1.00 45.51 C ATOM 1403 O GLU A 87 0.209 -1.885 10.601 1.00 31.41 O ATOM 1404 CB GLU A 87 -1.480 -4.218 8.555 1.00 42.12 C ATOM 1405 CG GLU A 87 -2.549 -5.293 8.641 1.00 74.33 C ATOM 1406 CD GLU A 87 -2.358 -6.389 7.610 1.00 40.30 C ATOM 1407 OE1 GLU A 87 -1.210 -6.584 7.158 1.00 24.21 O ATOM 1408 OE2 GLU A 87 -3.355 -7.051 7.256 1.00 71.23 O ATOM 0 H GLU A 87 -3.345 -2.593 8.623 1.00 11.23 H new ATOM 0 HA GLU A 87 -1.605 -3.632 10.620 1.00 3.23 H new ATOM 0 HB2 GLU A 87 -1.537 -3.738 7.578 1.00 42.12 H new ATOM 0 HB3 GLU A 87 -0.498 -4.687 8.623 1.00 42.12 H new ATOM 0 HG2 GLU A 87 -2.538 -5.732 9.639 1.00 74.33 H new ATOM 0 HG3 GLU A 87 -3.530 -4.837 8.504 1.00 74.33 H new ATOM 1415 N LEU A 88 -0.062 -1.769 8.370 1.00 54.01 N ATOM 1416 CA LEU A 88 1.064 -0.863 8.170 1.00 65.32 C ATOM 1417 C LEU A 88 0.786 0.499 8.796 1.00 40.13 C ATOM 1418 O LEU A 88 1.642 1.385 8.789 1.00 24.44 O ATOM 1419 CB LEU A 88 1.356 -0.703 6.677 1.00 64.23 C ATOM 1420 CG LEU A 88 0.137 -0.528 5.770 1.00 22.53 C ATOM 1421 CD1 LEU A 88 -0.434 -1.881 5.376 1.00 0.11 C ATOM 1422 CD2 LEU A 88 -0.922 0.320 6.459 1.00 74.22 C ATOM 0 H LEU A 88 -0.553 -2.027 7.514 1.00 54.01 H new ATOM 0 HA LEU A 88 1.937 -1.294 8.660 1.00 65.32 H new ATOM 0 HB2 LEU A 88 2.009 0.160 6.545 1.00 64.23 H new ATOM 0 HB3 LEU A 88 1.912 -1.578 6.340 1.00 64.23 H new ATOM 0 HG LEU A 88 0.453 -0.013 4.863 1.00 22.53 H new ATOM 0 HD11 LEU A 88 -1.301 -1.736 4.731 1.00 0.11 H new ATOM 0 HD12 LEU A 88 0.324 -2.454 4.842 1.00 0.11 H new ATOM 0 HD13 LEU A 88 -0.735 -2.424 6.272 1.00 0.11 H new ATOM 0 HD21 LEU A 88 -1.782 0.434 5.799 1.00 74.22 H new ATOM 0 HD22 LEU A 88 -1.235 -0.168 7.382 1.00 74.22 H new ATOM 0 HD23 LEU A 88 -0.509 1.302 6.690 1.00 74.22 H new ATOM 1434 N THR A 89 -0.417 0.662 9.337 1.00 22.21 N ATOM 1435 CA THR A 89 -0.809 1.916 9.968 1.00 55.54 C ATOM 1436 C THR A 89 0.069 2.222 11.175 1.00 62.11 C ATOM 1437 O THR A 89 0.232 3.380 11.560 1.00 33.51 O ATOM 1438 CB THR A 89 -2.283 1.885 10.413 1.00 24.41 C ATOM 1439 OG1 THR A 89 -2.872 3.179 10.247 1.00 12.32 O ATOM 1440 CG2 THR A 89 -2.399 1.451 11.867 1.00 11.34 C ATOM 0 H THR A 89 -1.138 -0.060 9.351 1.00 22.21 H new ATOM 0 HA THR A 89 -0.680 2.699 9.221 1.00 55.54 H new ATOM 0 HB THR A 89 -2.813 1.163 9.791 1.00 24.41 H new ATOM 0 HG1 THR A 89 -3.810 3.150 10.531 1.00 12.32 H new ATOM 0 HG21 THR A 89 -3.449 1.436 12.160 1.00 11.34 H new ATOM 0 HG22 THR A 89 -1.976 0.453 11.984 1.00 11.34 H new ATOM 0 HG23 THR A 89 -1.856 2.152 12.500 1.00 11.34 H new ATOM 1448 N SER A 90 0.636 1.176 11.769 1.00 72.20 N ATOM 1449 CA SER A 90 1.496 1.334 12.937 1.00 75.44 C ATOM 1450 C SER A 90 2.874 1.846 12.530 1.00 61.22 C ATOM 1451 O SER A 90 3.408 2.773 13.140 1.00 63.11 O ATOM 1452 CB SER A 90 1.633 0.002 13.678 1.00 14.34 C ATOM 1453 OG SER A 90 2.485 -0.887 12.979 1.00 43.41 O ATOM 0 H SER A 90 0.516 0.211 11.461 1.00 72.20 H new ATOM 0 HA SER A 90 1.037 2.066 13.601 1.00 75.44 H new ATOM 0 HB2 SER A 90 2.029 0.178 14.678 1.00 14.34 H new ATOM 0 HB3 SER A 90 0.650 -0.452 13.800 1.00 14.34 H new ATOM 0 HG SER A 90 2.557 -1.729 13.475 1.00 43.41 H new ATOM 1459 N ILE A 91 3.445 1.235 11.497 1.00 73.01 N ATOM 1460 CA ILE A 91 4.760 1.630 11.008 1.00 31.41 C ATOM 1461 C ILE A 91 4.739 3.054 10.463 1.00 10.45 C ATOM 1462 O ILE A 91 5.660 3.835 10.705 1.00 24.14 O ATOM 1463 CB ILE A 91 5.259 0.678 9.905 1.00 11.14 C ATOM 1464 CG1 ILE A 91 5.205 -0.772 10.389 1.00 32.33 C ATOM 1465 CG2 ILE A 91 6.674 1.049 9.485 1.00 22.34 C ATOM 1466 CD1 ILE A 91 5.479 -1.785 9.300 1.00 43.23 C ATOM 0 H ILE A 91 3.017 0.465 10.983 1.00 73.01 H new ATOM 0 HA ILE A 91 5.441 1.579 11.857 1.00 31.41 H new ATOM 0 HB ILE A 91 4.606 0.777 9.038 1.00 11.14 H new ATOM 0 HG12 ILE A 91 5.932 -0.906 11.190 1.00 32.33 H new ATOM 0 HG13 ILE A 91 4.221 -0.967 10.816 1.00 32.33 H new ATOM 0 HG21 ILE A 91 7.013 0.367 8.705 1.00 22.34 H new ATOM 0 HG22 ILE A 91 6.684 2.070 9.104 1.00 22.34 H new ATOM 0 HG23 ILE A 91 7.340 0.976 10.345 1.00 22.34 H new ATOM 0 HD11 ILE A 91 5.424 -2.791 9.716 1.00 43.23 H new ATOM 0 HD12 ILE A 91 4.737 -1.679 8.509 1.00 43.23 H new ATOM 0 HD13 ILE A 91 6.474 -1.617 8.889 1.00 43.23 H new ATOM 1478 N SER A 92 3.683 3.386 9.729 1.00 62.22 N ATOM 1479 CA SER A 92 3.543 4.717 9.148 1.00 70.31 C ATOM 1480 C SER A 92 3.246 5.752 10.228 1.00 31.10 C ATOM 1481 O SER A 92 3.420 6.951 10.018 1.00 43.44 O ATOM 1482 CB SER A 92 2.429 4.723 8.099 1.00 41.35 C ATOM 1483 OG SER A 92 2.576 5.815 7.207 1.00 0.24 O ATOM 0 H SER A 92 2.911 2.752 9.522 1.00 62.22 H new ATOM 0 HA SER A 92 4.486 4.979 8.668 1.00 70.31 H new ATOM 0 HB2 SER A 92 2.446 3.787 7.540 1.00 41.35 H new ATOM 0 HB3 SER A 92 1.459 4.781 8.594 1.00 41.35 H new ATOM 0 HG SER A 92 3.440 5.749 6.749 1.00 0.24 H new ATOM 1489 N ASN A 93 2.797 5.279 11.386 1.00 74.40 N ATOM 1490 CA ASN A 93 2.475 6.163 12.500 1.00 2.22 C ATOM 1491 C ASN A 93 1.397 7.168 12.103 1.00 44.11 C ATOM 1492 O ASN A 93 1.585 8.377 12.232 1.00 4.42 O ATOM 1493 CB ASN A 93 3.729 6.902 12.971 1.00 11.11 C ATOM 1494 CG ASN A 93 4.818 5.954 13.435 1.00 43.14 C ATOM 1495 OD1 ASN A 93 4.572 5.052 14.235 1.00 72.12 O ATOM 1496 ND2 ASN A 93 6.031 6.156 12.934 1.00 74.03 N ATOM 0 H ASN A 93 2.648 4.288 11.577 1.00 74.40 H new ATOM 0 HA ASN A 93 2.093 5.552 13.318 1.00 2.22 H new ATOM 0 HB2 ASN A 93 4.111 7.519 12.158 1.00 11.11 H new ATOM 0 HB3 ASN A 93 3.466 7.576 13.786 1.00 11.11 H new ATOM 0 HD21 ASN A 93 6.804 5.551 13.210 1.00 74.03 H new ATOM 0 HD22 ASN A 93 6.190 6.916 12.273 1.00 74.03 H new ATOM 1503 N ILE A 94 0.270 6.658 11.621 1.00 74.14 N ATOM 1504 CA ILE A 94 -0.838 7.510 11.207 1.00 54.22 C ATOM 1505 C ILE A 94 -1.718 7.884 12.395 1.00 33.12 C ATOM 1506 O ILE A 94 -2.922 7.631 12.391 1.00 15.13 O ATOM 1507 CB ILE A 94 -1.706 6.826 10.134 1.00 21.22 C ATOM 1508 CG1 ILE A 94 -0.821 6.199 9.055 1.00 71.50 C ATOM 1509 CG2 ILE A 94 -2.674 7.825 9.519 1.00 34.25 C ATOM 1510 CD1 ILE A 94 0.061 7.198 8.341 1.00 43.20 C ATOM 0 H ILE A 94 0.099 5.659 11.507 1.00 74.14 H new ATOM 0 HA ILE A 94 -0.399 8.414 10.784 1.00 54.22 H new ATOM 0 HB ILE A 94 -2.286 6.034 10.608 1.00 21.22 H new ATOM 0 HG12 ILE A 94 -0.193 5.433 9.511 1.00 71.50 H new ATOM 0 HG13 ILE A 94 -1.454 5.698 8.323 1.00 71.50 H new ATOM 0 HG21 ILE A 94 -3.280 7.326 8.763 1.00 34.25 H new ATOM 0 HG22 ILE A 94 -3.323 8.228 10.296 1.00 34.25 H new ATOM 0 HG23 ILE A 94 -2.113 8.637 9.057 1.00 34.25 H new ATOM 0 HD11 ILE A 94 0.660 6.683 7.590 1.00 43.20 H new ATOM 0 HD12 ILE A 94 -0.561 7.950 7.856 1.00 43.20 H new ATOM 0 HD13 ILE A 94 0.720 7.682 9.062 1.00 43.20 H new ATOM 1522 N ARG A 95 -1.108 8.489 13.409 1.00 61.50 N ATOM 1523 CA ARG A 95 -1.836 8.898 14.605 1.00 74.34 C ATOM 1524 C ARG A 95 -3.056 9.738 14.237 1.00 62.14 C ATOM 1525 O ARG A 95 -4.076 9.701 14.924 1.00 54.11 O ATOM 1526 CB ARG A 95 -0.921 9.690 15.539 1.00 64.32 C ATOM 1527 CG ARG A 95 0.028 8.818 16.346 1.00 71.53 C ATOM 1528 CD ARG A 95 0.507 9.530 17.601 1.00 4.30 C ATOM 1529 NE ARG A 95 0.985 10.880 17.316 1.00 31.41 N ATOM 1530 CZ ARG A 95 1.159 11.811 18.248 1.00 30.30 C ATOM 1531 NH1 ARG A 95 0.896 11.538 19.519 1.00 31.00 N ATOM 1532 NH2 ARG A 95 1.598 13.017 17.910 1.00 72.31 N ATOM 0 H ARG A 95 -0.112 8.707 13.427 1.00 61.50 H new ATOM 0 HA ARG A 95 -2.176 7.999 15.119 1.00 74.34 H new ATOM 0 HB2 ARG A 95 -0.338 10.397 14.949 1.00 64.32 H new ATOM 0 HB3 ARG A 95 -1.534 10.276 16.224 1.00 64.32 H new ATOM 0 HG2 ARG A 95 -0.474 7.890 16.622 1.00 71.53 H new ATOM 0 HG3 ARG A 95 0.886 8.546 15.731 1.00 71.53 H new ATOM 0 HD2 ARG A 95 -0.308 9.579 18.323 1.00 4.30 H new ATOM 0 HD3 ARG A 95 1.308 8.952 18.062 1.00 4.30 H new ATOM 0 HE ARG A 95 1.197 11.122 16.348 1.00 31.41 H new ATOM 0 HH11 ARG A 95 0.559 10.612 19.783 1.00 31.00 H new ATOM 0 HH12 ARG A 95 1.030 12.254 20.233 1.00 31.00 H new ATOM 0 HH21 ARG A 95 1.802 13.230 16.934 1.00 72.31 H new ATOM 0 HH22 ARG A 95 1.731 13.731 18.627 1.00 72.31 H new ATOM 1546 N TYR A 96 -2.941 10.493 13.150 1.00 11.23 N ATOM 1547 CA TYR A 96 -4.033 11.345 12.693 1.00 24.33 C ATOM 1548 C TYR A 96 -5.270 10.515 12.363 1.00 60.23 C ATOM 1549 O TYR A 96 -5.198 9.547 11.607 1.00 22.21 O ATOM 1550 CB TYR A 96 -3.602 12.148 11.465 1.00 65.43 C ATOM 1551 CG TYR A 96 -2.910 13.449 11.805 1.00 30.51 C ATOM 1552 CD1 TYR A 96 -3.535 14.404 12.597 1.00 43.40 C ATOM 1553 CD2 TYR A 96 -1.632 13.722 11.334 1.00 13.23 C ATOM 1554 CE1 TYR A 96 -2.907 15.594 12.909 1.00 2.52 C ATOM 1555 CE2 TYR A 96 -0.996 14.909 11.643 1.00 55.41 C ATOM 1556 CZ TYR A 96 -1.638 15.842 12.430 1.00 41.34 C ATOM 1557 OH TYR A 96 -1.009 17.027 12.740 1.00 23.11 O ATOM 0 H TYR A 96 -2.103 10.533 12.569 1.00 11.23 H new ATOM 0 HA TYR A 96 -4.284 12.034 13.499 1.00 24.33 H new ATOM 0 HB2 TYR A 96 -2.933 11.538 10.859 1.00 65.43 H new ATOM 0 HB3 TYR A 96 -4.479 12.361 10.854 1.00 65.43 H new ATOM 0 HD1 TYR A 96 -4.528 14.213 12.975 1.00 43.40 H new ATOM 0 HD2 TYR A 96 -1.127 12.994 10.716 1.00 13.23 H new ATOM 0 HE1 TYR A 96 -3.407 16.327 13.525 1.00 2.52 H new ATOM 0 HE2 TYR A 96 -0.002 15.105 11.270 1.00 55.41 H new ATOM 0 HH TYR A 96 -0.121 17.044 12.326 1.00 23.11 H new ATOM 1567 N GLY A 97 -6.405 10.902 12.936 1.00 33.01 N ATOM 1568 CA GLY A 97 -7.642 10.185 12.691 1.00 31.23 C ATOM 1569 C GLY A 97 -8.198 10.443 11.304 1.00 3.14 C ATOM 1570 O GLY A 97 -8.449 9.508 10.544 1.00 35.34 O ATOM 0 H GLY A 97 -6.490 11.700 13.566 1.00 33.01 H new ATOM 0 HA2 GLY A 97 -7.470 9.116 12.817 1.00 31.23 H new ATOM 0 HA3 GLY A 97 -8.382 10.478 13.436 1.00 31.23 H new ATOM 1574 N TYR A 98 -8.392 11.715 10.974 1.00 44.34 N ATOM 1575 CA TYR A 98 -8.925 12.094 9.671 1.00 61.10 C ATOM 1576 C TYR A 98 -7.894 11.859 8.572 1.00 53.35 C ATOM 1577 O TYR A 98 -7.607 12.751 7.774 1.00 33.44 O ATOM 1578 CB TYR A 98 -9.353 13.563 9.679 1.00 10.10 C ATOM 1579 CG TYR A 98 -10.299 13.911 10.806 1.00 41.43 C ATOM 1580 CD1 TYR A 98 -9.815 14.324 12.042 1.00 31.12 C ATOM 1581 CD2 TYR A 98 -11.675 13.829 10.635 1.00 22.41 C ATOM 1582 CE1 TYR A 98 -10.675 14.644 13.075 1.00 60.51 C ATOM 1583 CE2 TYR A 98 -12.542 14.147 11.662 1.00 74.30 C ATOM 1584 CZ TYR A 98 -12.038 14.554 12.880 1.00 62.34 C ATOM 1585 OH TYR A 98 -12.899 14.871 13.905 1.00 34.12 O ATOM 0 H TYR A 98 -8.188 12.501 11.591 1.00 44.34 H new ATOM 0 HA TYR A 98 -9.795 11.470 9.467 1.00 61.10 H new ATOM 0 HB2 TYR A 98 -8.465 14.191 9.754 1.00 10.10 H new ATOM 0 HB3 TYR A 98 -9.831 13.799 8.728 1.00 10.10 H new ATOM 0 HD1 TYR A 98 -8.749 14.396 12.197 1.00 31.12 H new ATOM 0 HD2 TYR A 98 -12.074 13.511 9.683 1.00 22.41 H new ATOM 0 HE1 TYR A 98 -10.283 14.963 14.029 1.00 60.51 H new ATOM 0 HE2 TYR A 98 -13.609 14.077 11.512 1.00 74.30 H new ATOM 0 HH TYR A 98 -13.824 14.756 13.603 1.00 34.12 H new TER 1595 TYR A 98