USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 996 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 48 SER OG : rot -130:sc= 0.0936 USER MOD Set 1.2: A 66 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-9!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0145) USER MOD Set 2.2: A 58 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.11) USER MOD Set 3.1: A 42 MET CE :methyl 168:sc= -0.0228 (180deg=-0.25) USER MOD Set 3.2: A 76 THR OG1 : rot 99:sc= 0.998 USER MOD Set 4.1: A 37 THR OG1 : rot -37:sc= 2.07 USER MOD Set 4.2: A 39 CYS SG : rot -60:sc= -6.92! USER MOD Set 5.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 72 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-8.5!) USER MOD Set 6.1: A 1 GLN : amide:sc= -3.69! K(o=-6.4!,f=-1.6) USER MOD Set 6.2: A 3 GLN : amide:sc= -2.68! K(o=-6.4!,f=-1.6) USER MOD Single : A 1 GLN N :NH3+ -114:sc= 0.0975 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.288 K(o=0.29,f=-0.74) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.015) USER MOD Single : A 32 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.071) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0.644 (180deg=0.625) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.989) USER MOD Single : A 49 MET CE :methyl -157:sc= -0.191 (180deg=-0.838) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0248) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.147 K(o=0.15,f=-0.57) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -5.54! K(o=-5.5!,f=-1.1) USER MOD Single : A 68 ASN : amide:sc= 0.743 K(o=0.74,f=-0.26) USER MOD Single : A 81 GLN : amide:sc= -1.06 K(o=-1.1,f=-2!) USER MOD Single : A 82 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.021) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0923) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.625) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0841) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 164:sc= -0.0893 (180deg=-0.476) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -149:sc= -0.337 (180deg=-1.33!) USER MOD Single : A 121 ASN : amide:sc= -0.13! X(o=-0.13!,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.718 15.030 -11.180 1.00 0.76 N ATOM 2 CA GLN A 1 -10.789 14.609 -10.114 1.00 0.55 C ATOM 3 C GLN A 1 -9.625 13.858 -10.729 1.00 0.49 C ATOM 4 O GLN A 1 -9.721 13.357 -11.849 1.00 0.60 O ATOM 5 CB GLN A 1 -11.505 13.727 -9.090 1.00 0.52 C ATOM 6 CG GLN A 1 -11.650 12.278 -9.489 1.00 0.69 C ATOM 7 CD GLN A 1 -12.792 11.608 -8.767 1.00 0.71 C ATOM 8 OE1 GLN A 1 -13.915 11.556 -9.266 1.00 1.40 O ATOM 9 NE2 GLN A 1 -12.522 11.128 -7.575 1.00 0.88 N ATOM 0 H1 GLN A 1 -11.723 16.068 -11.246 1.00 0.76 H new ATOM 0 H2 GLN A 1 -11.410 14.627 -12.088 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.676 14.693 -10.958 1.00 0.76 H new ATOM 0 HA GLN A 1 -10.418 15.494 -9.598 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.961 13.776 -8.147 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -12.497 14.139 -8.908 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.812 12.212 -10.565 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.723 11.747 -9.273 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -11.575 11.193 -7.201 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -13.259 10.690 -7.023 1.00 0.88 H new ATOM 20 N LEU A 2 -8.529 13.790 -10.007 1.00 0.39 N ATOM 21 CA LEU A 2 -7.371 13.070 -10.467 1.00 0.36 C ATOM 22 C LEU A 2 -7.122 11.894 -9.530 1.00 0.26 C ATOM 23 O LEU A 2 -7.200 12.040 -8.308 1.00 0.27 O ATOM 24 CB LEU A 2 -6.181 14.040 -10.535 1.00 0.48 C ATOM 25 CG LEU A 2 -4.828 13.499 -10.081 1.00 0.85 C ATOM 26 CD1 LEU A 2 -4.283 12.456 -11.049 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.833 14.637 -9.916 1.00 1.32 C ATOM 0 H LEU A 2 -8.419 14.229 -9.093 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.521 12.665 -11.468 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -6.081 14.385 -11.564 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -6.419 14.913 -9.928 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.975 13.010 -9.118 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.319 12.096 -10.691 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.981 11.621 -11.115 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -4.159 12.904 -12.035 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.873 14.236 -9.592 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.708 15.152 -10.868 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.204 15.339 -9.169 1.00 1.32 H new ATOM 39 N GLN A 3 -6.871 10.724 -10.102 1.00 0.24 N ATOM 40 CA GLN A 3 -6.629 9.536 -9.302 1.00 0.22 C ATOM 41 C GLN A 3 -5.319 8.887 -9.708 1.00 0.22 C ATOM 42 O GLN A 3 -5.049 8.712 -10.896 1.00 0.25 O ATOM 43 CB GLN A 3 -7.743 8.497 -9.480 1.00 0.24 C ATOM 44 CG GLN A 3 -9.158 9.054 -9.530 1.00 0.26 C ATOM 45 CD GLN A 3 -10.206 7.984 -9.257 1.00 0.26 C ATOM 46 OE1 GLN A 3 -11.303 8.279 -8.789 1.00 0.33 O ATOM 47 NE2 GLN A 3 -9.869 6.730 -9.525 1.00 0.25 N ATOM 0 H GLN A 3 -6.830 10.575 -11.110 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.596 9.856 -8.261 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.556 7.944 -10.401 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.682 7.781 -8.660 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.258 9.854 -8.796 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.339 9.496 -10.510 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -8.949 6.521 -9.913 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -10.529 5.974 -9.343 1.00 0.25 H new ATOM 56 N GLU A 4 -4.513 8.523 -8.730 1.00 0.22 N ATOM 57 CA GLU A 4 -3.330 7.724 -8.995 1.00 0.25 C ATOM 58 C GLU A 4 -3.425 6.439 -8.198 1.00 0.23 C ATOM 59 O GLU A 4 -3.623 6.466 -6.981 1.00 0.27 O ATOM 60 CB GLU A 4 -2.043 8.476 -8.643 1.00 0.30 C ATOM 61 CG GLU A 4 -2.162 9.983 -8.785 1.00 0.28 C ATOM 62 CD GLU A 4 -0.832 10.647 -9.078 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.090 10.547 -8.239 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.688 11.249 -10.165 1.00 0.88 O ATOM 0 H GLU A 4 -4.653 8.766 -7.749 1.00 0.22 H new ATOM 0 HA GLU A 4 -3.288 7.504 -10.062 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.761 8.237 -7.617 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -1.237 8.121 -9.286 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.864 10.215 -9.586 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.577 10.399 -7.867 1.00 0.28 H new ATOM 71 N LYS A 5 -3.307 5.314 -8.877 1.00 0.24 N ATOM 72 CA LYS A 5 -3.499 4.034 -8.230 1.00 0.25 C ATOM 73 C LYS A 5 -2.169 3.333 -8.095 1.00 0.25 C ATOM 74 O LYS A 5 -1.516 3.019 -9.090 1.00 0.30 O ATOM 75 CB LYS A 5 -4.463 3.120 -8.997 1.00 0.30 C ATOM 76 CG LYS A 5 -5.638 3.819 -9.666 1.00 0.40 C ATOM 77 CD LYS A 5 -5.256 4.451 -10.996 1.00 0.66 C ATOM 78 CE LYS A 5 -6.483 4.796 -11.825 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.114 5.307 -13.171 1.00 1.43 N ATOM 0 H LYS A 5 -3.081 5.262 -9.870 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.938 4.234 -7.253 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.898 2.585 -9.761 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.853 2.372 -8.307 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.442 3.100 -9.826 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -6.027 4.589 -8.999 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.672 5.354 -10.816 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.619 3.766 -11.555 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -7.110 3.911 -11.932 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -7.076 5.546 -11.302 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -6.977 5.531 -13.706 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.537 6.166 -13.070 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -5.570 4.582 -13.680 1.00 1.43 H new ATOM 93 N LEU A 6 -1.776 3.095 -6.871 1.00 0.23 N ATOM 94 CA LEU A 6 -0.531 2.427 -6.594 1.00 0.25 C ATOM 95 C LEU A 6 -0.833 1.001 -6.162 1.00 0.24 C ATOM 96 O LEU A 6 -1.219 0.744 -5.021 1.00 0.24 O ATOM 97 CB LEU A 6 0.225 3.213 -5.527 1.00 0.26 C ATOM 98 CG LEU A 6 0.253 4.722 -5.790 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.848 5.471 -4.613 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.030 5.032 -7.061 1.00 0.30 C ATOM 0 H LEU A 6 -2.307 3.357 -6.041 1.00 0.23 H new ATOM 0 HA LEU A 6 0.104 2.381 -7.479 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.235 3.029 -4.556 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.248 2.842 -5.470 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.776 5.056 -5.921 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.855 6.540 -4.828 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.249 5.284 -3.722 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.869 5.128 -4.442 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.038 6.109 -7.229 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.054 4.674 -6.958 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.556 4.536 -7.908 1.00 0.30 H new ATOM 112 N TYR A 7 -0.714 0.088 -7.109 1.00 0.27 N ATOM 113 CA TYR A 7 -1.155 -1.281 -6.920 1.00 0.27 C ATOM 114 C TYR A 7 -0.253 -2.057 -5.988 1.00 0.29 C ATOM 115 O TYR A 7 0.971 -1.901 -5.990 1.00 0.38 O ATOM 116 CB TYR A 7 -1.233 -2.010 -8.261 1.00 0.32 C ATOM 117 CG TYR A 7 -2.536 -1.812 -9.001 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.838 -0.585 -9.573 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.463 -2.840 -9.121 1.00 0.36 C ATOM 120 CE1 TYR A 7 -4.023 -0.383 -10.245 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.656 -2.646 -9.792 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.931 -1.483 -10.368 1.00 0.56 C ATOM 123 OH TYR A 7 -6.116 -1.219 -11.018 1.00 0.69 O ATOM 0 H TYR A 7 -0.310 0.274 -8.027 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.144 -1.227 -6.465 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.414 -1.670 -8.894 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -1.083 -3.076 -8.091 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.131 0.227 -9.490 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.249 -3.804 -8.684 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.261 0.581 -10.669 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.373 -3.451 -9.848 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.661 -2.033 -11.048 1.00 0.69 H new ATOM 133 N VAL A 8 -0.885 -2.884 -5.184 1.00 0.24 N ATOM 134 CA VAL A 8 -0.196 -3.910 -4.445 1.00 0.26 C ATOM 135 C VAL A 8 -0.833 -5.232 -4.793 1.00 0.26 C ATOM 136 O VAL A 8 -1.973 -5.493 -4.431 1.00 0.26 O ATOM 137 CB VAL A 8 -0.269 -3.680 -2.925 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.718 -2.616 -2.506 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.680 -3.295 -2.500 1.00 1.27 C ATOM 0 H VAL A 8 -1.893 -2.861 -5.027 1.00 0.24 H new ATOM 0 HA VAL A 8 0.860 -3.894 -4.716 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.008 -4.614 -2.427 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.654 -2.465 -1.428 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.727 -2.932 -2.769 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.485 -1.682 -3.018 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.705 -3.138 -1.422 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.975 -2.376 -3.007 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.371 -4.095 -2.766 1.00 1.27 H new ATOM 149 N PRO A 9 -0.117 -6.095 -5.494 1.00 0.32 N ATOM 150 CA PRO A 9 -0.716 -7.301 -6.019 1.00 0.37 C ATOM 151 C PRO A 9 -1.039 -8.282 -4.907 1.00 0.34 C ATOM 152 O PRO A 9 -0.201 -9.075 -4.487 1.00 0.35 O ATOM 153 CB PRO A 9 0.340 -7.837 -6.978 1.00 0.44 C ATOM 154 CG PRO A 9 1.633 -7.312 -6.456 1.00 0.43 C ATOM 155 CD PRO A 9 1.316 -5.983 -5.816 1.00 0.39 C ATOM 0 HA PRO A 9 -1.670 -7.126 -6.517 1.00 0.37 H new ATOM 0 HB2 PRO A 9 0.336 -8.927 -7.001 1.00 0.44 H new ATOM 0 HB3 PRO A 9 0.158 -7.496 -7.997 1.00 0.44 H new ATOM 0 HG2 PRO A 9 2.069 -8.000 -5.731 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.359 -7.194 -7.260 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.917 -5.813 -4.923 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.512 -5.153 -6.495 1.00 0.39 H new ATOM 163 N VAL A 10 -2.259 -8.194 -4.406 1.00 0.34 N ATOM 164 CA VAL A 10 -2.720 -9.071 -3.347 1.00 0.36 C ATOM 165 C VAL A 10 -2.829 -10.491 -3.892 1.00 0.43 C ATOM 166 O VAL A 10 -2.859 -11.476 -3.157 1.00 0.47 O ATOM 167 CB VAL A 10 -4.075 -8.606 -2.785 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.196 -8.833 -3.785 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.374 -9.286 -1.457 1.00 0.52 C ATOM 0 H VAL A 10 -2.953 -7.516 -4.720 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.001 -9.043 -2.528 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.011 -7.533 -2.605 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.139 -8.494 -3.357 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -4.989 -8.273 -4.697 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.265 -9.895 -4.019 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.337 -8.941 -1.080 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.406 -10.366 -1.600 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.593 -9.039 -0.738 1.00 0.52 H new ATOM 179 N LYS A 11 -2.889 -10.563 -5.212 1.00 0.49 N ATOM 180 CA LYS A 11 -2.896 -11.829 -5.926 1.00 0.58 C ATOM 181 C LYS A 11 -1.512 -12.454 -5.829 1.00 0.53 C ATOM 182 O LYS A 11 -1.353 -13.674 -5.876 1.00 0.60 O ATOM 183 CB LYS A 11 -3.286 -11.606 -7.394 1.00 0.72 C ATOM 184 CG LYS A 11 -2.415 -10.580 -8.100 1.00 1.27 C ATOM 185 CD LYS A 11 -2.793 -10.423 -9.563 1.00 1.76 C ATOM 186 CE LYS A 11 -4.188 -9.840 -9.733 1.00 2.24 C ATOM 187 NZ LYS A 11 -4.450 -9.425 -11.136 1.00 2.93 N ATOM 0 H LYS A 11 -2.934 -9.744 -5.819 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.629 -12.501 -5.480 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.222 -12.554 -7.927 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -4.326 -11.283 -7.441 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -2.508 -9.618 -7.596 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -1.370 -10.879 -8.026 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -2.068 -9.777 -10.057 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -2.743 -11.394 -10.056 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -4.929 -10.579 -9.429 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -4.305 -8.981 -9.073 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -5.411 -9.033 -11.209 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -3.759 -8.701 -11.419 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -4.364 -10.250 -11.764 1.00 2.93 H new ATOM 201 N GLU A 12 -0.519 -11.587 -5.688 1.00 0.45 N ATOM 202 CA GLU A 12 0.862 -11.991 -5.524 1.00 0.44 C ATOM 203 C GLU A 12 1.143 -12.398 -4.087 1.00 0.39 C ATOM 204 O GLU A 12 1.944 -13.297 -3.828 1.00 0.43 O ATOM 205 CB GLU A 12 1.783 -10.851 -5.925 1.00 0.46 C ATOM 206 CG GLU A 12 1.856 -10.623 -7.427 1.00 0.60 C ATOM 207 CD GLU A 12 2.307 -11.850 -8.188 1.00 0.77 C ATOM 208 OE1 GLU A 12 3.503 -12.192 -8.112 1.00 0.97 O ATOM 209 OE2 GLU A 12 1.464 -12.478 -8.860 1.00 0.96 O ATOM 0 H GLU A 12 -0.655 -10.576 -5.685 1.00 0.45 H new ATOM 0 HA GLU A 12 1.046 -12.852 -6.167 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.443 -9.934 -5.443 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.785 -11.056 -5.548 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.875 -10.316 -7.791 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.543 -9.802 -7.632 1.00 0.60 H new ATOM 216 N TYR A 13 0.484 -11.730 -3.152 1.00 0.34 N ATOM 217 CA TYR A 13 0.704 -11.985 -1.740 1.00 0.35 C ATOM 218 C TYR A 13 -0.600 -12.364 -1.052 1.00 0.39 C ATOM 219 O TYR A 13 -1.231 -11.526 -0.414 1.00 0.40 O ATOM 220 CB TYR A 13 1.301 -10.750 -1.055 1.00 0.34 C ATOM 221 CG TYR A 13 2.486 -10.158 -1.782 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.320 -9.201 -2.772 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.774 -10.564 -1.473 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.410 -8.665 -3.432 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.868 -10.037 -2.124 1.00 0.48 C ATOM 226 CZ TYR A 13 4.648 -9.051 -3.130 1.00 0.46 C ATOM 227 OH TYR A 13 5.771 -8.567 -3.770 1.00 0.53 O ATOM 0 H TYR A 13 -0.208 -11.007 -3.348 1.00 0.34 H new ATOM 0 HA TYR A 13 1.405 -12.815 -1.656 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.527 -9.988 -0.963 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.606 -11.019 -0.044 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.325 -8.870 -3.031 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.924 -11.309 -0.706 1.00 0.44 H new ATOM 0 HE1 TYR A 13 3.255 -7.924 -4.202 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.868 -10.363 -1.878 1.00 0.48 H new ATOM 0 HH TYR A 13 6.571 -8.985 -3.388 1.00 0.53 H new ATOM 237 N PRO A 14 -1.031 -13.628 -1.182 1.00 0.47 N ATOM 238 CA PRO A 14 -2.251 -14.106 -0.531 1.00 0.55 C ATOM 239 C PRO A 14 -2.081 -14.170 0.981 1.00 0.59 C ATOM 240 O PRO A 14 -3.052 -14.145 1.738 1.00 0.68 O ATOM 241 CB PRO A 14 -2.455 -15.517 -1.108 1.00 0.64 C ATOM 242 CG PRO A 14 -1.522 -15.616 -2.270 1.00 0.75 C ATOM 243 CD PRO A 14 -0.382 -14.687 -1.966 1.00 0.52 C ATOM 0 HA PRO A 14 -3.099 -13.446 -0.711 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.234 -16.281 -0.362 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.488 -15.666 -1.421 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -1.168 -16.639 -2.400 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.021 -15.331 -3.196 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.406 -15.184 -1.401 1.00 0.52 H new ATOM 0 HD3 PRO A 14 0.075 -14.296 -2.875 1.00 0.52 H new ATOM 251 N ASP A 15 -0.827 -14.237 1.408 1.00 0.57 N ATOM 252 CA ASP A 15 -0.490 -14.334 2.822 1.00 0.67 C ATOM 253 C ASP A 15 -0.343 -12.957 3.453 1.00 0.62 C ATOM 254 O ASP A 15 -0.234 -12.835 4.674 1.00 0.76 O ATOM 255 CB ASP A 15 0.811 -15.115 3.007 1.00 0.78 C ATOM 256 CG ASP A 15 0.645 -16.600 2.775 1.00 1.64 C ATOM 257 OD1 ASP A 15 0.554 -17.012 1.599 1.00 2.43 O ATOM 258 OD2 ASP A 15 0.601 -17.364 3.762 1.00 2.15 O ATOM 0 H ASP A 15 -0.018 -14.226 0.787 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.307 -14.859 3.318 1.00 0.67 H new ATOM 0 HB2 ASP A 15 1.563 -14.727 2.319 1.00 0.78 H new ATOM 0 HB3 ASP A 15 1.187 -14.950 4.017 1.00 0.78 H new ATOM 263 N PHE A 16 -0.332 -11.924 2.625 1.00 0.48 N ATOM 264 CA PHE A 16 -0.161 -10.563 3.113 1.00 0.43 C ATOM 265 C PHE A 16 -1.371 -9.721 2.743 1.00 0.37 C ATOM 266 O PHE A 16 -1.568 -9.372 1.580 1.00 0.36 O ATOM 267 CB PHE A 16 1.113 -9.949 2.534 1.00 0.41 C ATOM 268 CG PHE A 16 1.594 -8.749 3.295 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.461 -8.897 4.366 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.183 -7.478 2.941 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.907 -7.794 5.070 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.626 -6.373 3.637 1.00 0.36 C ATOM 273 CZ PHE A 16 2.489 -6.529 4.704 1.00 0.49 C ATOM 0 H PHE A 16 -0.439 -12.001 1.614 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.070 -10.587 4.199 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.900 -10.704 2.525 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.932 -9.664 1.498 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.792 -9.884 4.654 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.507 -7.348 2.109 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.581 -7.921 5.904 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.298 -5.385 3.348 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.836 -5.665 5.251 1.00 0.49 H new ATOM 283 N ASN A 17 -2.188 -9.399 3.734 1.00 0.37 N ATOM 284 CA ASN A 17 -3.353 -8.561 3.501 1.00 0.35 C ATOM 285 C ASN A 17 -2.976 -7.092 3.556 1.00 0.30 C ATOM 286 O ASN A 17 -2.823 -6.518 4.626 1.00 0.30 O ATOM 287 CB ASN A 17 -4.505 -8.881 4.478 1.00 0.45 C ATOM 288 CG ASN A 17 -4.097 -9.095 5.938 1.00 0.74 C ATOM 289 OD1 ASN A 17 -4.640 -9.977 6.601 1.00 1.29 O ATOM 290 ND2 ASN A 17 -3.209 -8.271 6.475 1.00 0.71 N ATOM 0 H ASN A 17 -2.067 -9.703 4.700 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.720 -8.784 2.499 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.228 -8.066 4.438 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -5.016 -9.778 4.127 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.961 -8.360 7.460 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.773 -7.548 5.903 1.00 0.71 H new ATOM 297 N PHE A 18 -2.796 -6.486 2.393 1.00 0.28 N ATOM 298 CA PHE A 18 -2.436 -5.080 2.327 1.00 0.26 C ATOM 299 C PHE A 18 -3.474 -4.202 3.018 1.00 0.27 C ATOM 300 O PHE A 18 -3.137 -3.166 3.561 1.00 0.27 O ATOM 301 CB PHE A 18 -2.208 -4.646 0.883 1.00 0.24 C ATOM 302 CG PHE A 18 -1.015 -5.324 0.284 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.247 -5.009 0.745 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.146 -6.283 -0.714 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.360 -5.628 0.233 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.026 -6.907 -1.239 1.00 0.25 C ATOM 307 CZ PHE A 18 1.227 -6.575 -0.759 1.00 0.25 C ATOM 0 H PHE A 18 -2.893 -6.944 1.487 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.498 -4.951 2.867 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.093 -4.875 0.290 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.070 -3.565 0.845 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.361 -4.265 1.520 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.127 -6.543 -1.082 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.340 -5.373 0.608 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.131 -7.648 -2.018 1.00 0.25 H new ATOM 0 HZ PHE A 18 2.104 -7.059 -1.163 1.00 0.25 H new ATOM 317 N VAL A 19 -4.730 -4.626 3.028 1.00 0.31 N ATOM 318 CA VAL A 19 -5.748 -3.936 3.800 1.00 0.32 C ATOM 319 C VAL A 19 -5.507 -4.112 5.294 1.00 0.29 C ATOM 320 O VAL A 19 -5.446 -3.131 6.030 1.00 0.27 O ATOM 321 CB VAL A 19 -7.163 -4.408 3.422 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.611 -3.731 2.139 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.213 -5.925 3.277 1.00 1.13 C ATOM 0 H VAL A 19 -5.065 -5.440 2.513 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.677 -2.875 3.560 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.846 -4.128 4.224 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.613 -4.071 1.879 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.620 -2.650 2.282 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.922 -3.985 1.334 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.224 -6.232 3.010 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.520 -6.239 2.496 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.930 -6.390 4.221 1.00 1.13 H new ATOM 333 N GLY A 20 -5.319 -5.353 5.728 1.00 0.33 N ATOM 334 CA GLY A 20 -5.005 -5.617 7.122 1.00 0.35 C ATOM 335 C GLY A 20 -3.707 -4.956 7.548 1.00 0.32 C ATOM 336 O GLY A 20 -3.447 -4.789 8.736 1.00 0.38 O ATOM 0 H GLY A 20 -5.378 -6.184 5.139 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.819 -5.257 7.751 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.933 -6.693 7.280 1.00 0.35 H new ATOM 340 N ARG A 21 -2.891 -4.591 6.568 1.00 0.29 N ATOM 341 CA ARG A 21 -1.654 -3.872 6.819 1.00 0.32 C ATOM 342 C ARG A 21 -1.884 -2.359 6.801 1.00 0.31 C ATOM 343 O ARG A 21 -1.414 -1.646 7.686 1.00 0.39 O ATOM 344 CB ARG A 21 -0.584 -4.268 5.778 1.00 0.33 C ATOM 345 CG ARG A 21 0.397 -3.148 5.431 1.00 0.56 C ATOM 346 CD ARG A 21 1.523 -2.994 6.452 1.00 0.52 C ATOM 347 NE ARG A 21 1.088 -3.224 7.833 1.00 1.51 N ATOM 348 CZ ARG A 21 1.577 -4.183 8.621 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.549 -4.975 8.191 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.109 -4.333 9.852 1.00 3.20 N ATOM 0 H ARG A 21 -3.069 -4.785 5.582 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.297 -4.146 7.812 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.023 -5.123 6.157 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.084 -4.594 4.866 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.830 -3.344 4.450 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.148 -2.207 5.357 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.323 -3.693 6.209 1.00 0.52 H new ATOM 0 HD3 ARG A 21 1.942 -1.991 6.372 1.00 0.52 H new ATOM 0 HE ARG A 21 0.366 -2.613 8.215 1.00 1.51 H new ATOM 0 HH11 ARG A 21 2.928 -4.853 7.252 1.00 2.34 H new ATOM 0 HH12 ARG A 21 2.918 -5.706 8.799 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.375 -3.715 10.197 1.00 3.20 H new ATOM 0 HH22 ARG A 21 1.483 -5.066 10.454 1.00 3.20 H new ATOM 364 N ILE A 22 -2.618 -1.880 5.807 1.00 0.27 N ATOM 365 CA ILE A 22 -2.762 -0.446 5.597 1.00 0.31 C ATOM 366 C ILE A 22 -3.816 0.164 6.512 1.00 0.28 C ATOM 367 O ILE A 22 -3.524 1.091 7.266 1.00 0.32 O ATOM 368 CB ILE A 22 -3.129 -0.141 4.124 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.961 -0.474 3.188 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.560 1.309 3.948 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.647 0.148 3.602 1.00 0.99 C ATOM 0 H ILE A 22 -3.121 -2.460 5.136 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.798 0.003 5.837 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.974 -0.776 3.858 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.841 -1.556 3.144 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.209 -0.139 2.181 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.811 1.490 2.903 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.433 1.507 4.570 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.745 1.969 4.245 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.129 -0.134 2.891 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.747 1.233 3.618 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.374 -0.206 4.596 1.00 0.99 H new ATOM 383 N LEU A 23 -5.030 -0.361 6.470 1.00 0.30 N ATOM 384 CA LEU A 23 -6.092 0.181 7.301 1.00 0.35 C ATOM 385 C LEU A 23 -6.348 -0.690 8.521 1.00 0.37 C ATOM 386 O LEU A 23 -6.967 -0.231 9.484 1.00 0.47 O ATOM 387 CB LEU A 23 -7.400 0.491 6.517 1.00 0.59 C ATOM 388 CG LEU A 23 -7.970 -0.565 5.541 1.00 0.68 C ATOM 389 CD1 LEU A 23 -7.055 -0.769 4.344 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.252 -1.884 6.243 1.00 1.15 C ATOM 0 H LEU A 23 -5.302 -1.148 5.880 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.732 1.147 7.655 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -8.176 0.711 7.250 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -7.231 1.405 5.948 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.920 -0.179 5.171 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.487 -1.517 3.679 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -6.944 0.173 3.806 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.078 -1.109 4.687 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.651 -2.600 5.525 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.328 -2.274 6.669 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -8.979 -1.724 7.039 1.00 1.15 H new ATOM 402 N GLY A 24 -5.839 -1.926 8.481 1.00 0.35 N ATOM 403 CA GLY A 24 -6.063 -2.878 9.558 1.00 0.45 C ATOM 404 C GLY A 24 -5.839 -2.289 10.943 1.00 0.56 C ATOM 405 O GLY A 24 -6.795 -2.055 11.682 1.00 0.70 O ATOM 0 H GLY A 24 -5.271 -2.284 7.713 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.084 -3.255 9.493 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.398 -3.731 9.423 1.00 0.45 H new ATOM 409 N PRO A 25 -4.583 -2.067 11.342 1.00 0.59 N ATOM 410 CA PRO A 25 -4.268 -1.413 12.599 1.00 0.74 C ATOM 411 C PRO A 25 -4.045 0.094 12.454 1.00 0.75 C ATOM 412 O PRO A 25 -4.282 0.854 13.391 1.00 0.90 O ATOM 413 CB PRO A 25 -2.973 -2.108 13.015 1.00 0.85 C ATOM 414 CG PRO A 25 -2.331 -2.579 11.740 1.00 0.77 C ATOM 415 CD PRO A 25 -3.365 -2.488 10.641 1.00 0.57 C ATOM 0 HA PRO A 25 -5.081 -1.496 13.320 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -2.317 -1.423 13.553 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -3.176 -2.945 13.683 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.463 -1.965 11.500 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.976 -3.604 11.847 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.074 -1.768 9.876 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.502 -3.446 10.140 1.00 0.57 H new ATOM 423 N ARG A 26 -3.603 0.530 11.278 1.00 0.64 N ATOM 424 CA ARG A 26 -3.189 1.915 11.096 1.00 0.71 C ATOM 425 C ARG A 26 -4.026 2.636 10.043 1.00 0.59 C ATOM 426 O ARG A 26 -3.517 3.519 9.356 1.00 0.63 O ATOM 427 CB ARG A 26 -1.712 1.981 10.705 1.00 0.88 C ATOM 428 CG ARG A 26 -0.774 1.324 11.703 1.00 1.34 C ATOM 429 CD ARG A 26 0.678 1.630 11.378 1.00 1.33 C ATOM 430 NE ARG A 26 1.609 0.796 12.137 1.00 1.92 N ATOM 431 CZ ARG A 26 2.823 1.195 12.520 1.00 2.49 C ATOM 432 NH1 ARG A 26 3.194 2.458 12.358 1.00 2.67 N ATOM 433 NH2 ARG A 26 3.653 0.333 13.090 1.00 3.43 N ATOM 0 H ARG A 26 -3.523 -0.051 10.444 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.344 2.420 12.049 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.583 1.504 9.734 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.425 3.026 10.587 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -1.006 1.675 12.709 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -0.931 0.245 11.697 1.00 1.34 H new ATOM 0 HD2 ARG A 26 0.848 1.481 10.312 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.881 2.680 11.589 1.00 1.33 H new ATOM 0 HE ARG A 26 1.313 -0.147 12.389 1.00 1.92 H new ATOM 0 HH11 ARG A 26 2.550 3.129 11.939 1.00 2.67 H new ATOM 0 HH12 ARG A 26 4.123 2.758 12.652 1.00 2.67 H new ATOM 0 HH21 ARG A 26 3.363 -0.634 13.235 1.00 3.43 H new ATOM 0 HH22 ARG A 26 4.581 0.637 13.383 1.00 3.43 H new ATOM 447 N GLY A 27 -5.312 2.291 9.933 1.00 0.54 N ATOM 448 CA GLY A 27 -6.191 2.973 8.986 1.00 0.56 C ATOM 449 C GLY A 27 -6.218 4.482 9.182 1.00 0.58 C ATOM 450 O GLY A 27 -6.630 5.234 8.288 1.00 0.56 O ATOM 0 H GLY A 27 -5.760 1.555 10.479 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -5.865 2.750 7.970 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.203 2.580 9.090 1.00 0.56 H new ATOM 454 N LEU A 28 -5.769 4.917 10.356 1.00 0.64 N ATOM 455 CA LEU A 28 -5.677 6.330 10.689 1.00 0.68 C ATOM 456 C LEU A 28 -4.880 7.090 9.633 1.00 0.58 C ATOM 457 O LEU A 28 -5.202 8.236 9.322 1.00 0.55 O ATOM 458 CB LEU A 28 -5.016 6.509 12.061 1.00 0.82 C ATOM 459 CG LEU A 28 -4.947 7.951 12.574 1.00 1.46 C ATOM 460 CD1 LEU A 28 -6.344 8.497 12.819 1.00 1.96 C ATOM 461 CD2 LEU A 28 -4.112 8.027 13.843 1.00 2.25 C ATOM 0 H LEU A 28 -5.459 4.296 11.103 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.688 6.735 10.719 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -5.561 5.908 12.789 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.003 6.110 12.012 1.00 0.82 H new ATOM 0 HG LEU A 28 -4.468 8.565 11.811 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -6.275 9.522 13.183 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -6.910 8.480 11.888 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -6.850 7.881 13.562 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -4.074 9.059 14.193 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -4.562 7.399 14.612 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -3.101 7.677 13.635 1.00 2.25 H new ATOM 473 N THR A 29 -3.858 6.444 9.065 1.00 0.56 N ATOM 474 CA THR A 29 -3.013 7.099 8.078 1.00 0.52 C ATOM 475 C THR A 29 -3.840 7.555 6.875 1.00 0.42 C ATOM 476 O THR A 29 -3.720 8.695 6.439 1.00 0.41 O ATOM 477 CB THR A 29 -1.828 6.199 7.623 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.957 6.932 6.752 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.308 4.944 6.906 1.00 0.48 C ATOM 0 H THR A 29 -3.602 5.479 9.272 1.00 0.56 H new ATOM 0 HA THR A 29 -2.581 7.976 8.559 1.00 0.52 H new ATOM 0 HB THR A 29 -1.292 5.895 8.522 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.214 6.357 6.473 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.448 4.345 6.606 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.940 4.361 7.576 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.880 5.226 6.022 1.00 0.48 H new ATOM 487 N ALA A 30 -4.742 6.698 6.402 1.00 0.39 N ATOM 488 CA ALA A 30 -5.566 7.023 5.242 1.00 0.34 C ATOM 489 C ALA A 30 -6.488 8.187 5.570 1.00 0.32 C ATOM 490 O ALA A 30 -6.717 9.079 4.748 1.00 0.28 O ATOM 491 CB ALA A 30 -6.368 5.807 4.801 1.00 0.38 C ATOM 0 H ALA A 30 -4.920 5.777 6.803 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.916 7.316 4.418 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -6.977 6.067 3.935 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.687 4.998 4.536 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.016 5.483 5.616 1.00 0.38 H new ATOM 497 N LYS A 31 -6.982 8.184 6.799 1.00 0.38 N ATOM 498 CA LYS A 31 -7.856 9.235 7.280 1.00 0.41 C ATOM 499 C LYS A 31 -7.135 10.576 7.288 1.00 0.38 C ATOM 500 O LYS A 31 -7.702 11.607 6.920 1.00 0.39 O ATOM 501 CB LYS A 31 -8.310 8.918 8.702 1.00 0.49 C ATOM 502 CG LYS A 31 -9.104 7.627 8.848 1.00 1.16 C ATOM 503 CD LYS A 31 -9.525 7.411 10.297 1.00 1.63 C ATOM 504 CE LYS A 31 -10.397 6.175 10.466 1.00 2.36 C ATOM 505 NZ LYS A 31 -9.666 4.916 10.158 1.00 3.09 N ATOM 0 H LYS A 31 -6.788 7.455 7.486 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.716 9.293 6.612 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -7.431 8.862 9.344 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -8.919 9.745 9.066 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -9.987 7.664 8.210 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -8.501 6.784 8.510 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -8.636 7.314 10.921 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.068 8.288 10.650 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -10.769 6.134 11.490 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -11.266 6.256 9.814 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -10.287 4.101 10.337 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -9.377 4.918 9.159 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -8.823 4.847 10.763 1.00 3.09 H new ATOM 519 N GLN A 32 -5.881 10.555 7.717 1.00 0.38 N ATOM 520 CA GLN A 32 -5.099 11.775 7.841 1.00 0.40 C ATOM 521 C GLN A 32 -4.735 12.319 6.473 1.00 0.32 C ATOM 522 O GLN A 32 -4.664 13.529 6.282 1.00 0.33 O ATOM 523 CB GLN A 32 -3.826 11.535 8.657 1.00 0.47 C ATOM 524 CG GLN A 32 -4.075 10.952 10.039 1.00 0.55 C ATOM 525 CD GLN A 32 -5.038 11.782 10.865 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.632 12.671 11.613 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.322 11.488 10.742 1.00 0.64 N ATOM 0 H GLN A 32 -5.384 9.706 7.985 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.713 12.508 8.364 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.173 10.861 8.102 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.292 12.479 8.764 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.471 9.942 9.936 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.126 10.870 10.570 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.616 10.743 10.110 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.018 12.006 11.279 1.00 0.64 H new ATOM 536 N LEU A 33 -4.523 11.428 5.515 1.00 0.28 N ATOM 537 CA LEU A 33 -4.111 11.848 4.186 1.00 0.25 C ATOM 538 C LEU A 33 -5.216 12.637 3.513 1.00 0.21 C ATOM 539 O LEU A 33 -4.955 13.683 2.937 1.00 0.22 O ATOM 540 CB LEU A 33 -3.705 10.658 3.313 1.00 0.28 C ATOM 541 CG LEU A 33 -2.730 9.665 3.954 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.079 8.791 2.895 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.680 10.380 4.794 1.00 1.61 C ATOM 0 H LEU A 33 -4.628 10.420 5.632 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.236 12.487 4.303 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.607 10.118 3.025 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.255 11.040 2.397 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.301 9.021 4.623 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.391 8.093 3.372 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.848 8.234 2.360 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.531 9.418 2.192 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.005 9.646 5.234 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.112 11.063 4.162 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.171 10.943 5.588 1.00 1.61 H new ATOM 555 N GLU A 34 -6.452 12.177 3.620 1.00 0.21 N ATOM 556 CA GLU A 34 -7.548 12.901 2.987 1.00 0.25 C ATOM 557 C GLU A 34 -7.808 14.207 3.709 1.00 0.29 C ATOM 558 O GLU A 34 -8.152 15.216 3.094 1.00 0.33 O ATOM 559 CB GLU A 34 -8.827 12.067 2.913 1.00 0.31 C ATOM 560 CG GLU A 34 -9.214 11.373 4.208 1.00 0.38 C ATOM 561 CD GLU A 34 -10.624 10.819 4.164 1.00 0.54 C ATOM 562 OE1 GLU A 34 -10.822 9.692 3.657 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.547 11.515 4.634 1.00 0.87 O ATOM 0 H GLU A 34 -6.720 11.331 4.123 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.243 13.115 1.963 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.648 12.714 2.605 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.707 11.313 2.135 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.513 10.562 4.407 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.128 12.078 5.035 1.00 0.38 H new ATOM 570 N ALA A 35 -7.632 14.175 5.016 1.00 0.30 N ATOM 571 CA ALA A 35 -7.798 15.359 5.834 1.00 0.36 C ATOM 572 C ALA A 35 -6.725 16.406 5.526 1.00 0.35 C ATOM 573 O ALA A 35 -7.013 17.600 5.432 1.00 0.42 O ATOM 574 CB ALA A 35 -7.762 14.984 7.306 1.00 0.40 C ATOM 0 H ALA A 35 -7.373 13.336 5.536 1.00 0.30 H new ATOM 0 HA ALA A 35 -8.768 15.798 5.600 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -7.888 15.881 7.913 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.568 14.283 7.523 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -6.804 14.519 7.540 1.00 0.40 H new ATOM 580 N GLU A 36 -5.491 15.950 5.364 1.00 0.30 N ATOM 581 CA GLU A 36 -4.355 16.848 5.198 1.00 0.34 C ATOM 582 C GLU A 36 -4.056 17.172 3.740 1.00 0.31 C ATOM 583 O GLU A 36 -3.961 18.343 3.378 1.00 0.41 O ATOM 584 CB GLU A 36 -3.110 16.244 5.846 1.00 0.38 C ATOM 585 CG GLU A 36 -3.078 16.406 7.351 1.00 0.74 C ATOM 586 CD GLU A 36 -2.924 17.852 7.760 1.00 1.25 C ATOM 587 OE1 GLU A 36 -3.935 18.584 7.775 1.00 1.73 O ATOM 588 OE2 GLU A 36 -1.787 18.268 8.065 1.00 1.69 O ATOM 0 H GLU A 36 -5.250 14.959 5.344 1.00 0.30 H new ATOM 0 HA GLU A 36 -4.626 17.783 5.689 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.060 15.183 5.601 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.223 16.712 5.418 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -3.996 16.004 7.779 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.253 15.823 7.761 1.00 0.74 H new ATOM 595 N THR A 37 -3.915 16.150 2.909 1.00 0.24 N ATOM 596 CA THR A 37 -3.404 16.348 1.558 1.00 0.26 C ATOM 597 C THR A 37 -4.485 16.845 0.608 1.00 0.28 C ATOM 598 O THR A 37 -4.193 17.477 -0.406 1.00 0.35 O ATOM 599 CB THR A 37 -2.803 15.057 0.979 1.00 0.28 C ATOM 600 OG1 THR A 37 -3.839 14.111 0.707 1.00 0.25 O ATOM 601 CG2 THR A 37 -1.805 14.440 1.943 1.00 0.29 C ATOM 0 H THR A 37 -4.144 15.184 3.142 1.00 0.24 H new ATOM 0 HA THR A 37 -2.624 17.104 1.644 1.00 0.26 H new ATOM 0 HB THR A 37 -2.286 15.314 0.054 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.526 14.169 1.403 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.395 13.528 1.508 1.00 0.29 H new ATOM 0 HG22 THR A 37 -0.997 15.147 2.132 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.305 14.202 2.882 1.00 0.29 H new ATOM 609 N GLY A 38 -5.732 16.552 0.944 1.00 0.28 N ATOM 610 CA GLY A 38 -6.830 16.862 0.054 1.00 0.35 C ATOM 611 C GLY A 38 -7.140 15.711 -0.878 1.00 0.35 C ATOM 612 O GLY A 38 -8.095 15.771 -1.657 1.00 0.44 O ATOM 0 H GLY A 38 -6.003 16.104 1.819 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -7.716 17.104 0.641 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -6.584 17.748 -0.532 1.00 0.35 H new ATOM 616 N CYS A 39 -6.336 14.659 -0.808 1.00 0.29 N ATOM 617 CA CYS A 39 -6.659 13.437 -1.512 1.00 0.26 C ATOM 618 C CYS A 39 -7.378 12.517 -0.573 1.00 0.35 C ATOM 619 O CYS A 39 -6.849 12.157 0.470 1.00 0.73 O ATOM 620 CB CYS A 39 -5.413 12.720 -2.058 1.00 0.37 C ATOM 621 SG CYS A 39 -4.481 11.762 -0.833 1.00 1.29 S ATOM 0 H CYS A 39 -5.466 14.631 -0.276 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.282 13.702 -2.366 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.720 12.052 -2.862 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.748 13.463 -2.498 1.00 0.37 H new ATOM 0 HG CYS A 39 -4.066 12.553 0.112 1.00 1.29 H new ATOM 627 N LYS A 40 -8.582 12.141 -0.902 1.00 0.28 N ATOM 628 CA LYS A 40 -9.186 11.081 -0.175 1.00 0.27 C ATOM 629 C LYS A 40 -8.604 9.802 -0.717 1.00 0.24 C ATOM 630 O LYS A 40 -9.070 9.280 -1.726 1.00 0.26 O ATOM 631 CB LYS A 40 -10.701 11.094 -0.309 1.00 0.35 C ATOM 632 CG LYS A 40 -11.363 9.989 0.488 1.00 1.07 C ATOM 633 CD LYS A 40 -12.858 9.956 0.274 1.00 1.36 C ATOM 634 CE LYS A 40 -13.490 8.800 1.034 1.00 1.62 C ATOM 635 NZ LYS A 40 -13.252 8.906 2.504 1.00 2.51 N ATOM 0 H LYS A 40 -9.146 12.545 -1.650 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.981 11.186 0.890 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -11.084 12.058 0.025 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.971 10.991 -1.360 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -10.934 9.029 0.202 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -11.151 10.129 1.548 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -13.297 10.897 0.604 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.075 9.859 -0.790 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -14.562 8.781 0.840 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -13.083 7.858 0.667 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.741 8.128 2.992 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -12.231 8.848 2.696 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -13.618 9.816 2.850 1.00 2.51 H new ATOM 649 N ILE A 41 -7.560 9.314 -0.074 1.00 0.22 N ATOM 650 CA ILE A 41 -6.915 8.116 -0.544 1.00 0.21 C ATOM 651 C ILE A 41 -7.756 6.920 -0.154 1.00 0.23 C ATOM 652 O ILE A 41 -7.937 6.604 1.025 1.00 0.29 O ATOM 653 CB ILE A 41 -5.473 7.982 0.000 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.859 6.639 -0.398 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.445 8.153 1.513 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.414 6.495 0.024 1.00 0.25 C ATOM 0 H ILE A 41 -7.149 9.726 0.764 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.832 8.168 -1.630 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.874 8.776 -0.446 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.443 5.834 0.048 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.928 6.522 -1.479 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.420 8.054 1.871 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.828 9.139 1.775 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.067 7.388 1.977 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -3.039 5.520 -0.289 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.819 7.280 -0.443 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.341 6.581 1.108 1.00 0.25 H new ATOM 668 N MET A 42 -8.313 6.285 -1.159 1.00 0.20 N ATOM 669 CA MET A 42 -9.227 5.207 -0.946 1.00 0.21 C ATOM 670 C MET A 42 -8.560 3.929 -1.366 1.00 0.20 C ATOM 671 O MET A 42 -7.922 3.861 -2.418 1.00 0.21 O ATOM 672 CB MET A 42 -10.527 5.407 -1.736 1.00 0.26 C ATOM 673 CG MET A 42 -10.330 5.480 -3.244 1.00 0.29 C ATOM 674 SD MET A 42 -11.883 5.394 -4.154 1.00 0.45 S ATOM 675 CE MET A 42 -12.704 6.868 -3.553 1.00 1.43 C ATOM 0 H MET A 42 -8.141 6.506 -2.140 1.00 0.20 H new ATOM 0 HA MET A 42 -9.492 5.170 0.111 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.208 4.587 -1.508 1.00 0.26 H new ATOM 0 HB3 MET A 42 -11.008 6.325 -1.398 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.818 6.409 -3.495 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.682 4.663 -3.561 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.578 7.075 -4.170 1.00 1.43 H new ATOM 0 HE2 MET A 42 -13.017 6.715 -2.520 1.00 1.43 H new ATOM 0 HE3 MET A 42 -12.017 7.713 -3.602 1.00 1.43 H new ATOM 685 N VAL A 43 -8.671 2.928 -0.541 1.00 0.22 N ATOM 686 CA VAL A 43 -8.154 1.644 -0.900 1.00 0.25 C ATOM 687 C VAL A 43 -9.148 0.992 -1.840 1.00 0.27 C ATOM 688 O VAL A 43 -10.342 0.935 -1.550 1.00 0.41 O ATOM 689 CB VAL A 43 -7.901 0.744 0.325 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.842 -0.288 -0.009 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.487 1.563 1.542 1.00 0.79 C ATOM 0 H VAL A 43 -9.112 2.977 0.378 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.186 1.776 -1.383 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.832 0.235 0.575 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.666 -0.923 0.859 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.182 -0.901 -0.844 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.916 0.217 -0.283 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.317 0.897 2.388 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.570 2.108 1.319 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.278 2.270 1.791 1.00 0.79 H new ATOM 701 N ARG A 44 -8.675 0.569 -2.987 1.00 0.29 N ATOM 702 CA ARG A 44 -9.531 -0.068 -3.963 1.00 0.31 C ATOM 703 C ARG A 44 -9.088 -1.498 -4.160 1.00 0.38 C ATOM 704 O ARG A 44 -7.987 -1.863 -3.776 1.00 0.71 O ATOM 705 CB ARG A 44 -9.516 0.686 -5.295 1.00 0.33 C ATOM 706 CG ARG A 44 -10.147 2.072 -5.240 1.00 0.37 C ATOM 707 CD ARG A 44 -10.403 2.611 -6.635 1.00 0.50 C ATOM 708 NE ARG A 44 -11.375 3.701 -6.642 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.910 4.199 -7.757 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.552 3.705 -8.937 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.807 5.177 -7.693 1.00 1.10 N ATOM 0 H ARG A 44 -7.699 0.654 -3.270 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.555 -0.052 -3.590 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.484 0.783 -5.632 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -10.041 0.090 -6.042 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -11.085 2.026 -4.687 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.490 2.753 -4.698 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.464 2.962 -7.064 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.762 1.804 -7.273 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.659 4.102 -5.748 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -10.870 2.948 -8.987 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -11.959 4.083 -9.793 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -13.090 5.551 -6.787 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.213 5.554 -8.550 1.00 1.10 H new ATOM 725 N GLY A 45 -9.935 -2.304 -4.757 1.00 0.26 N ATOM 726 CA GLY A 45 -9.626 -3.703 -4.889 1.00 0.29 C ATOM 727 C GLY A 45 -10.411 -4.550 -3.914 1.00 0.29 C ATOM 728 O GLY A 45 -11.333 -4.061 -3.250 1.00 0.33 O ATOM 0 H GLY A 45 -10.830 -2.018 -5.153 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.842 -4.028 -5.907 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.559 -3.856 -4.725 1.00 0.29 H new ATOM 732 N LYS A 46 -10.033 -5.810 -3.819 1.00 0.39 N ATOM 733 CA LYS A 46 -10.755 -6.777 -3.014 1.00 0.50 C ATOM 734 C LYS A 46 -10.443 -6.635 -1.532 1.00 0.50 C ATOM 735 O LYS A 46 -9.347 -6.974 -1.087 1.00 0.62 O ATOM 736 CB LYS A 46 -10.395 -8.182 -3.474 1.00 0.74 C ATOM 737 CG LYS A 46 -10.708 -8.420 -4.934 1.00 0.90 C ATOM 738 CD LYS A 46 -9.868 -9.546 -5.501 1.00 0.94 C ATOM 739 CE LYS A 46 -8.410 -9.139 -5.534 1.00 0.72 C ATOM 740 NZ LYS A 46 -7.538 -10.181 -6.133 1.00 1.45 N ATOM 0 H LYS A 46 -9.217 -6.192 -4.297 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.821 -6.592 -3.147 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.332 -8.354 -3.302 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -10.937 -8.908 -2.868 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -11.765 -8.660 -5.047 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -10.526 -7.507 -5.501 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -9.990 -10.443 -4.894 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.208 -9.793 -6.507 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -8.308 -8.215 -6.102 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.073 -8.928 -4.519 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -6.665 -9.741 -6.488 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.299 -10.891 -5.411 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -8.038 -10.642 -6.920 1.00 1.45 H new ATOM 754 N GLY A 47 -11.394 -6.115 -0.767 1.00 0.57 N ATOM 755 CA GLY A 47 -11.258 -6.184 0.669 1.00 0.68 C ATOM 756 C GLY A 47 -11.010 -4.852 1.329 1.00 0.51 C ATOM 757 O GLY A 47 -10.646 -4.806 2.499 1.00 0.60 O ATOM 0 H GLY A 47 -12.239 -5.657 -1.108 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.164 -6.622 1.088 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.436 -6.857 0.913 1.00 0.68 H new ATOM 761 N SER A 48 -11.221 -3.769 0.603 1.00 0.54 N ATOM 762 CA SER A 48 -10.871 -2.456 1.112 1.00 0.72 C ATOM 763 C SER A 48 -11.794 -2.004 2.253 1.00 1.02 C ATOM 764 O SER A 48 -11.349 -1.837 3.386 1.00 1.43 O ATOM 765 CB SER A 48 -10.924 -1.472 -0.044 1.00 0.82 C ATOM 766 OG SER A 48 -11.947 -1.831 -0.964 1.00 1.31 O ATOM 0 H SER A 48 -11.629 -3.772 -0.332 1.00 0.54 H new ATOM 0 HA SER A 48 -9.867 -2.499 1.534 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.106 -0.467 0.336 1.00 0.82 H new ATOM 0 HB3 SER A 48 -9.961 -1.450 -0.554 1.00 0.82 H new ATOM 0 HG SER A 48 -11.581 -1.841 -1.873 1.00 1.31 H new ATOM 772 N MET A 49 -13.071 -1.799 1.956 1.00 1.18 N ATOM 773 CA MET A 49 -14.057 -1.507 2.990 1.00 1.58 C ATOM 774 C MET A 49 -15.264 -2.436 2.871 1.00 1.30 C ATOM 775 O MET A 49 -16.368 -2.081 3.256 1.00 1.70 O ATOM 776 CB MET A 49 -14.481 -0.028 2.969 1.00 2.49 C ATOM 777 CG MET A 49 -15.071 0.469 1.656 1.00 3.25 C ATOM 778 SD MET A 49 -13.842 0.686 0.349 1.00 4.35 S ATOM 779 CE MET A 49 -12.817 1.975 1.058 1.00 5.15 C ATOM 0 H MET A 49 -13.448 -1.829 1.009 1.00 1.18 H new ATOM 0 HA MET A 49 -13.587 -1.691 3.956 1.00 1.58 H new ATOM 0 HB2 MET A 49 -15.214 0.132 3.760 1.00 2.49 H new ATOM 0 HB3 MET A 49 -13.612 0.584 3.211 1.00 2.49 H new ATOM 0 HG2 MET A 49 -15.829 -0.237 1.317 1.00 3.25 H new ATOM 0 HG3 MET A 49 -15.576 1.419 1.830 1.00 3.25 H new ATOM 0 HE1 MET A 49 -12.290 2.500 0.261 1.00 5.15 H new ATOM 0 HE2 MET A 49 -13.444 2.679 1.604 1.00 5.15 H new ATOM 0 HE3 MET A 49 -12.093 1.530 1.740 1.00 5.15 H new ATOM 789 N ARG A 50 -15.034 -3.640 2.363 1.00 0.89 N ATOM 790 CA ARG A 50 -16.106 -4.597 2.069 1.00 1.28 C ATOM 791 C ARG A 50 -16.673 -5.254 3.339 1.00 1.22 C ATOM 792 O ARG A 50 -17.127 -6.396 3.301 1.00 1.55 O ATOM 793 CB ARG A 50 -15.626 -5.676 1.088 1.00 1.65 C ATOM 794 CG ARG A 50 -14.615 -6.660 1.654 1.00 2.14 C ATOM 795 CD ARG A 50 -14.694 -7.983 0.912 1.00 2.26 C ATOM 796 NE ARG A 50 -13.677 -8.941 1.348 1.00 3.05 N ATOM 797 CZ ARG A 50 -13.955 -10.096 1.956 1.00 3.84 C ATOM 798 NH1 ARG A 50 -15.204 -10.384 2.306 1.00 4.04 N ATOM 799 NH2 ARG A 50 -12.980 -10.954 2.233 1.00 4.74 N ATOM 0 H ARG A 50 -14.100 -3.986 2.141 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.912 -4.027 1.607 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -16.493 -6.234 0.733 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -15.185 -5.186 0.220 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -13.610 -6.248 1.570 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -14.807 -6.819 2.715 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -15.683 -8.418 1.059 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -14.581 -7.802 -0.157 1.00 2.26 H new ATOM 0 HE ARG A 50 -12.698 -8.712 1.177 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -15.954 -9.721 2.110 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -15.413 -11.268 2.771 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -12.017 -10.731 1.981 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -13.194 -11.836 2.698 1.00 4.74 H new ATOM 813 N ASP A 51 -16.629 -4.527 4.448 1.00 0.99 N ATOM 814 CA ASP A 51 -17.074 -5.027 5.751 1.00 1.15 C ATOM 815 C ASP A 51 -18.469 -5.647 5.656 1.00 1.27 C ATOM 816 O ASP A 51 -19.297 -5.201 4.863 1.00 1.24 O ATOM 817 CB ASP A 51 -17.082 -3.877 6.764 1.00 1.25 C ATOM 818 CG ASP A 51 -17.386 -4.334 8.180 1.00 1.85 C ATOM 819 OD1 ASP A 51 -18.555 -4.636 8.481 1.00 2.67 O ATOM 820 OD2 ASP A 51 -16.450 -4.374 9.008 1.00 1.97 O ATOM 0 H ASP A 51 -16.282 -3.568 4.473 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.381 -5.802 6.079 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.112 -3.381 6.749 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.823 -3.138 6.460 1.00 1.25 H new ATOM 825 N LYS A 52 -18.713 -6.681 6.460 1.00 1.46 N ATOM 826 CA LYS A 52 -19.964 -7.442 6.402 1.00 1.63 C ATOM 827 C LYS A 52 -21.194 -6.547 6.520 1.00 1.60 C ATOM 828 O LYS A 52 -22.206 -6.772 5.854 1.00 1.65 O ATOM 829 CB LYS A 52 -19.999 -8.498 7.509 1.00 1.89 C ATOM 830 CG LYS A 52 -19.017 -9.642 7.314 1.00 2.13 C ATOM 831 CD LYS A 52 -19.303 -10.421 6.038 1.00 2.73 C ATOM 832 CE LYS A 52 -20.720 -10.978 6.013 1.00 3.39 C ATOM 833 NZ LYS A 52 -20.962 -11.965 7.099 1.00 4.02 N ATOM 0 H LYS A 52 -18.056 -7.014 7.165 1.00 1.46 H new ATOM 0 HA LYS A 52 -19.993 -7.925 5.425 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -19.790 -8.014 8.463 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -21.007 -8.907 7.573 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -18.002 -9.247 7.279 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -19.068 -10.315 8.170 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -19.154 -9.771 5.176 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -18.590 -11.240 5.946 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -21.431 -10.157 6.107 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -20.904 -11.451 5.048 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -21.917 -12.365 6.998 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -20.259 -12.729 7.037 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -20.880 -11.493 8.022 1.00 4.02 H new ATOM 847 N LYS A 53 -21.114 -5.522 7.349 1.00 1.58 N ATOM 848 CA LYS A 53 -22.238 -4.619 7.511 1.00 1.61 C ATOM 849 C LYS A 53 -22.478 -3.884 6.200 1.00 1.43 C ATOM 850 O LYS A 53 -23.615 -3.640 5.795 1.00 1.45 O ATOM 851 CB LYS A 53 -21.983 -3.623 8.648 1.00 1.70 C ATOM 852 CG LYS A 53 -20.889 -2.609 8.355 1.00 1.61 C ATOM 853 CD LYS A 53 -20.527 -1.788 9.585 1.00 1.81 C ATOM 854 CE LYS A 53 -21.718 -1.021 10.142 1.00 2.29 C ATOM 855 NZ LYS A 53 -21.330 -0.173 11.301 1.00 2.51 N ATOM 0 H LYS A 53 -20.295 -5.296 7.913 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.125 -5.197 7.773 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -22.909 -3.090 8.863 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -21.718 -4.177 9.548 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.002 -3.128 7.992 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -21.217 -1.942 7.558 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -20.131 -2.449 10.356 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -19.734 -1.086 9.329 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -22.146 -0.395 9.359 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -22.493 -1.724 10.448 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -22.166 0.335 11.655 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -20.944 -0.774 12.057 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -20.608 0.514 11.002 1.00 2.51 H new ATOM 869 N LYS A 54 -21.392 -3.588 5.513 1.00 1.31 N ATOM 870 CA LYS A 54 -21.448 -2.834 4.285 1.00 1.17 C ATOM 871 C LYS A 54 -21.996 -3.674 3.146 1.00 1.19 C ATOM 872 O LYS A 54 -22.674 -3.153 2.275 1.00 1.21 O ATOM 873 CB LYS A 54 -20.069 -2.249 3.969 1.00 1.09 C ATOM 874 CG LYS A 54 -19.827 -0.941 4.703 1.00 1.22 C ATOM 875 CD LYS A 54 -18.391 -0.485 4.570 1.00 1.37 C ATOM 876 CE LYS A 54 -18.055 0.639 5.539 1.00 1.53 C ATOM 877 NZ LYS A 54 -18.884 1.850 5.308 1.00 2.16 N ATOM 0 H LYS A 54 -20.451 -3.864 5.793 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.141 -2.002 4.411 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.298 -2.968 4.245 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.982 -2.084 2.895 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -20.491 -0.173 4.307 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.074 -1.064 5.757 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -17.725 -1.329 4.750 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -18.211 -0.149 3.549 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.202 0.290 6.561 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -17.001 0.899 5.439 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -18.573 2.610 5.946 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -18.777 2.161 4.321 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -19.883 1.628 5.495 1.00 2.16 H new ATOM 891 N GLU A 55 -21.759 -4.974 3.160 1.00 1.26 N ATOM 892 CA GLU A 55 -22.320 -5.822 2.116 1.00 1.33 C ATOM 893 C GLU A 55 -23.810 -6.029 2.325 1.00 1.46 C ATOM 894 O GLU A 55 -24.534 -6.359 1.387 1.00 1.53 O ATOM 895 CB GLU A 55 -21.605 -7.174 2.007 1.00 1.44 C ATOM 896 CG GLU A 55 -21.574 -7.977 3.283 1.00 1.58 C ATOM 897 CD GLU A 55 -21.176 -9.415 3.034 1.00 1.79 C ATOM 898 OE1 GLU A 55 -19.962 -9.696 2.939 1.00 2.05 O ATOM 899 OE2 GLU A 55 -22.072 -10.275 2.909 1.00 1.96 O ATOM 0 H GLU A 55 -21.198 -5.458 3.861 1.00 1.26 H new ATOM 0 HA GLU A 55 -22.164 -5.297 1.174 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -22.093 -7.766 1.233 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.580 -7.002 1.677 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -20.872 -7.522 3.982 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -22.557 -7.948 3.754 1.00 1.58 H new ATOM 906 N GLU A 56 -24.270 -5.846 3.552 1.00 1.51 N ATOM 907 CA GLU A 56 -25.688 -6.003 3.840 1.00 1.64 C ATOM 908 C GLU A 56 -26.462 -4.720 3.542 1.00 1.57 C ATOM 909 O GLU A 56 -27.451 -4.738 2.809 1.00 1.62 O ATOM 910 CB GLU A 56 -25.910 -6.412 5.294 1.00 1.78 C ATOM 911 CG GLU A 56 -25.187 -7.687 5.681 1.00 1.87 C ATOM 912 CD GLU A 56 -25.708 -8.280 6.971 1.00 2.05 C ATOM 913 OE1 GLU A 56 -25.669 -7.592 8.015 1.00 2.40 O ATOM 914 OE2 GLU A 56 -26.162 -9.445 6.949 1.00 2.33 O ATOM 0 H GLU A 56 -23.693 -5.592 4.354 1.00 1.51 H new ATOM 0 HA GLU A 56 -26.063 -6.793 3.190 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.578 -5.603 5.945 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -26.978 -6.543 5.467 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -25.293 -8.418 4.880 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -24.122 -7.480 5.784 1.00 1.87 H new ATOM 921 N GLN A 57 -26.016 -3.607 4.107 1.00 1.48 N ATOM 922 CA GLN A 57 -26.768 -2.359 3.989 1.00 1.47 C ATOM 923 C GLN A 57 -26.114 -1.372 3.027 1.00 1.36 C ATOM 924 O GLN A 57 -26.804 -0.655 2.307 1.00 1.40 O ATOM 925 CB GLN A 57 -26.983 -1.711 5.364 1.00 1.55 C ATOM 926 CG GLN A 57 -25.719 -1.181 6.016 1.00 1.59 C ATOM 927 CD GLN A 57 -25.643 -1.545 7.479 1.00 1.75 C ATOM 928 OE1 GLN A 57 -26.116 -0.817 8.347 1.00 2.37 O ATOM 929 NE2 GLN A 57 -25.035 -2.680 7.752 1.00 1.85 N ATOM 0 H GLN A 57 -25.152 -3.538 4.644 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.740 -2.620 3.570 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.693 -0.891 5.258 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.440 -2.444 6.029 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -24.848 -1.581 5.497 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.683 -0.097 5.910 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -24.658 -3.251 6.996 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -24.941 -2.988 8.720 1.00 1.85 H new ATOM 938 N ASN A 58 -24.786 -1.345 2.994 1.00 1.27 N ATOM 939 CA ASN A 58 -24.068 -0.346 2.207 1.00 1.21 C ATOM 940 C ASN A 58 -23.706 -0.910 0.831 1.00 1.16 C ATOM 941 O ASN A 58 -22.944 -0.312 0.074 1.00 1.13 O ATOM 942 CB ASN A 58 -22.798 0.097 2.937 1.00 1.21 C ATOM 943 CG ASN A 58 -22.493 1.578 2.759 1.00 1.55 C ATOM 944 OD1 ASN A 58 -21.867 2.197 3.617 1.00 2.20 O ATOM 945 ND2 ASN A 58 -22.930 2.159 1.653 1.00 1.95 N ATOM 0 H ASN A 58 -24.187 -1.998 3.499 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.719 0.518 2.075 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.902 -0.121 4.000 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.954 -0.488 2.573 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -22.750 3.150 1.492 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -23.447 1.616 0.961 1.00 1.95 H new ATOM 952 N ARG A 59 -24.250 -2.087 0.555 1.00 1.20 N ATOM 953 CA ARG A 59 -23.963 -2.847 -0.652 1.00 1.22 C ATOM 954 C ARG A 59 -24.221 -2.036 -1.917 1.00 1.19 C ATOM 955 O ARG A 59 -25.085 -1.157 -1.948 1.00 1.24 O ATOM 956 CB ARG A 59 -24.805 -4.123 -0.667 1.00 1.36 C ATOM 957 CG ARG A 59 -26.295 -3.873 -0.834 1.00 1.47 C ATOM 958 CD ARG A 59 -27.126 -5.029 -0.300 1.00 1.69 C ATOM 959 NE ARG A 59 -26.695 -6.329 -0.816 1.00 2.08 N ATOM 960 CZ ARG A 59 -27.529 -7.341 -1.047 1.00 2.67 C ATOM 961 NH1 ARG A 59 -28.838 -7.169 -0.903 1.00 2.95 N ATOM 962 NH2 ARG A 59 -27.064 -8.523 -1.429 1.00 3.45 N ATOM 0 H ARG A 59 -24.915 -2.548 1.176 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.903 -3.101 -0.641 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.461 -4.765 -1.478 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.639 -4.667 0.263 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.570 -2.956 -0.312 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.522 -3.720 -1.889 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.068 -5.039 0.788 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -28.172 -4.869 -0.562 1.00 1.69 H new ATOM 0 HE ARG A 59 -25.703 -6.467 -1.009 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -29.205 -6.262 -0.615 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -29.477 -7.944 -1.080 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -26.061 -8.662 -1.548 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -27.710 -9.293 -1.604 1.00 3.45 H new ATOM 976 N GLY A 60 -23.459 -2.346 -2.954 1.00 1.15 N ATOM 977 CA GLY A 60 -23.594 -1.654 -4.226 1.00 1.15 C ATOM 978 C GLY A 60 -22.777 -0.377 -4.289 1.00 1.07 C ATOM 979 O GLY A 60 -22.663 0.246 -5.344 1.00 1.09 O ATOM 0 H GLY A 60 -22.742 -3.071 -2.940 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -23.283 -2.319 -5.031 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.644 -1.417 -4.396 1.00 1.15 H new ATOM 983 N LYS A 61 -22.210 0.012 -3.158 1.00 1.00 N ATOM 984 CA LYS A 61 -21.437 1.249 -3.065 1.00 0.95 C ATOM 985 C LYS A 61 -19.961 1.018 -3.385 1.00 0.80 C ATOM 986 O LYS A 61 -19.544 -0.127 -3.502 1.00 0.77 O ATOM 987 CB LYS A 61 -21.618 1.896 -1.687 1.00 1.04 C ATOM 988 CG LYS A 61 -22.867 2.763 -1.584 1.00 1.55 C ATOM 989 CD LYS A 61 -24.130 1.968 -1.867 1.00 2.06 C ATOM 990 CE LYS A 61 -25.367 2.849 -1.882 1.00 2.55 C ATOM 991 NZ LYS A 61 -26.606 2.050 -2.061 1.00 3.16 N ATOM 0 H LYS A 61 -22.269 -0.512 -2.285 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.820 1.940 -3.816 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.665 1.113 -0.930 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.742 2.505 -1.462 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.927 3.197 -0.586 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -22.793 3.592 -2.288 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -24.033 1.464 -2.828 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -24.247 1.192 -1.110 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -25.427 3.409 -0.949 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.285 3.579 -2.687 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -27.430 2.684 -2.066 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -26.560 1.535 -2.963 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -26.697 1.371 -1.279 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.183 2.121 -3.591 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.751 2.120 -3.944 1.00 0.66 C ATOM 1007 C PRO A 62 -16.923 0.915 -3.483 1.00 0.58 C ATOM 1008 O PRO A 62 -16.008 0.491 -4.182 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.268 3.385 -3.244 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.407 4.342 -3.372 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.665 3.516 -3.545 1.00 0.85 C ATOM 0 HA PRO A 62 -17.628 2.072 -5.026 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.027 3.193 -2.199 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.365 3.778 -3.712 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.480 4.974 -2.487 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.260 5.004 -4.226 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.359 3.670 -2.718 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.194 3.784 -4.459 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.261 0.337 -2.350 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.511 -0.797 -1.827 1.00 0.63 C ATOM 1021 C ASN A 63 -16.669 -1.973 -2.758 1.00 0.56 C ATOM 1022 O ASN A 63 -15.728 -2.724 -2.996 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.939 -1.195 -0.399 1.00 0.79 C ATOM 1024 CG ASN A 63 -18.313 -0.698 0.059 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -19.062 -1.437 0.689 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -18.619 0.571 -0.160 1.00 1.06 N ATOM 0 H ASN A 63 -18.048 0.629 -1.771 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.465 -0.495 -1.768 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.927 -2.283 -0.329 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.190 -0.822 0.299 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -19.494 0.954 0.198 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -17.980 1.166 -0.687 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.859 -2.098 -3.298 1.00 0.61 N ATOM 1034 CA TRP A 64 -18.167 -3.128 -4.261 1.00 0.62 C ATOM 1035 C TRP A 64 -17.911 -2.617 -5.664 1.00 0.60 C ATOM 1036 O TRP A 64 -17.746 -3.392 -6.596 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.609 -3.574 -4.085 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.936 -3.679 -2.641 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.683 -2.813 -1.913 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.455 -4.667 -1.733 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.717 -3.207 -0.605 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.959 -4.343 -0.466 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.644 -5.795 -1.871 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.680 -5.107 0.656 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -18.370 -6.556 -0.756 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.884 -6.208 0.495 1.00 1.18 C ATOM 0 H TRP A 64 -18.644 -1.485 -3.080 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.521 -3.991 -4.098 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -20.280 -2.863 -4.567 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.762 -4.537 -4.572 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -21.179 -1.939 -2.309 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -21.222 -2.735 0.145 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -18.239 -6.066 -2.835 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -20.077 -4.842 1.625 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.749 -7.434 -0.851 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.648 -6.820 1.353 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.890 -1.295 -5.796 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.502 -0.641 -7.037 1.00 0.55 C ATOM 1059 C GLU A 65 -16.107 -1.096 -7.455 1.00 0.48 C ATOM 1060 O GLU A 65 -15.896 -1.611 -8.553 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.525 0.881 -6.848 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.414 1.633 -7.579 1.00 0.69 C ATOM 1063 CD GLU A 65 -16.166 3.006 -6.991 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -16.950 3.933 -7.300 1.00 1.59 O ATOM 1065 OE2 GLU A 65 -15.186 3.168 -6.237 1.00 1.28 O ATOM 0 H GLU A 65 -18.141 -0.650 -5.047 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.209 -0.914 -7.821 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.488 1.261 -7.190 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.455 1.102 -5.783 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.494 1.050 -7.535 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -16.678 1.733 -8.632 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.161 -0.912 -6.549 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.770 -1.213 -6.829 1.00 0.38 C ATOM 1074 C HIS A 66 -13.360 -2.583 -6.300 1.00 0.36 C ATOM 1075 O HIS A 66 -12.204 -2.968 -6.423 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.843 -0.116 -6.295 1.00 0.38 C ATOM 1077 CG HIS A 66 -13.066 0.267 -4.867 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.383 1.552 -4.473 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.946 -0.455 -3.734 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.438 1.601 -3.155 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -13.178 0.395 -2.681 1.00 0.47 N ATOM 0 H HIS A 66 -15.334 -0.554 -5.610 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.666 -1.243 -7.914 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.811 -0.448 -6.409 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.962 0.772 -6.916 1.00 0.38 H new ATOM 0 HD2 HIS A 66 -12.711 -1.507 -3.667 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.658 2.478 -2.564 1.00 0.52 H new ATOM 0 HE2 HIS A 66 -13.154 0.138 -1.694 1.00 0.47 H new ATOM 1090 N LEU A 67 -14.300 -3.309 -5.696 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.037 -4.677 -5.221 1.00 0.40 C ATOM 1092 C LEU A 67 -13.617 -5.570 -6.381 1.00 0.41 C ATOM 1093 O LEU A 67 -13.022 -6.629 -6.198 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.287 -5.278 -4.574 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.106 -6.687 -4.004 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.346 -6.639 -2.690 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -16.449 -7.378 -3.833 1.00 1.59 C ATOM 0 H LEU A 67 -15.249 -2.979 -5.522 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.236 -4.622 -4.484 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.616 -4.617 -3.772 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.086 -5.302 -5.315 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.518 -7.270 -4.713 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.228 -7.650 -2.301 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.364 -6.196 -2.854 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -14.900 -6.036 -1.971 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -16.295 -8.378 -3.427 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -17.071 -6.800 -3.149 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -16.946 -7.452 -4.800 1.00 1.59 H new ATOM 1109 N ASN A 68 -13.926 -5.109 -7.575 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.724 -5.888 -8.786 1.00 0.47 C ATOM 1111 C ASN A 68 -12.321 -5.672 -9.330 1.00 0.44 C ATOM 1112 O ASN A 68 -11.931 -6.257 -10.341 1.00 0.52 O ATOM 1113 CB ASN A 68 -14.774 -5.502 -9.830 1.00 0.57 C ATOM 1114 CG ASN A 68 -16.168 -5.475 -9.234 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -16.856 -6.492 -9.180 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -16.600 -4.298 -8.797 1.00 0.58 N ATOM 0 H ASN A 68 -14.324 -4.184 -7.737 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.835 -6.946 -8.550 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.535 -4.522 -10.243 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -14.744 -6.212 -10.657 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -17.535 -4.214 -8.398 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -15.997 -3.478 -8.860 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.567 -4.823 -8.649 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.179 -4.575 -8.995 1.00 0.37 C ATOM 1125 C GLU A 69 -9.274 -5.381 -8.071 1.00 0.32 C ATOM 1126 O GLU A 69 -9.739 -5.952 -7.082 1.00 0.35 O ATOM 1127 CB GLU A 69 -9.848 -3.089 -8.850 1.00 0.38 C ATOM 1128 CG GLU A 69 -10.757 -2.162 -9.637 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.356 -0.713 -9.480 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.773 -0.080 -8.494 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -9.600 -0.205 -10.329 1.00 1.39 O ATOM 0 H GLU A 69 -11.899 -4.290 -7.845 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.018 -4.875 -10.031 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -9.900 -2.819 -7.795 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -8.819 -2.926 -9.170 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -10.728 -2.435 -10.692 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -11.786 -2.292 -9.302 1.00 0.45 H new ATOM 1138 N ASP A 70 -7.991 -5.429 -8.383 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.028 -6.041 -7.478 1.00 0.30 C ATOM 1140 C ASP A 70 -6.604 -5.012 -6.446 1.00 0.22 C ATOM 1141 O ASP A 70 -6.516 -3.824 -6.765 1.00 0.24 O ATOM 1142 CB ASP A 70 -5.813 -6.607 -8.218 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.025 -7.584 -7.357 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -5.557 -8.680 -7.060 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -3.883 -7.269 -6.973 1.00 1.10 O ATOM 0 H ASP A 70 -7.593 -5.057 -9.245 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.506 -6.887 -6.985 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.144 -7.110 -9.127 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.162 -5.788 -8.526 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.384 -5.460 -5.215 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.179 -4.561 -4.083 1.00 0.17 C ATOM 1152 C LEU A 71 -5.082 -3.534 -4.365 1.00 0.17 C ATOM 1153 O LEU A 71 -3.937 -3.879 -4.616 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.813 -5.363 -2.834 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.765 -4.553 -1.547 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.984 -3.654 -1.459 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.680 -5.478 -0.344 1.00 0.79 C ATOM 0 H LEU A 71 -6.343 -6.450 -4.973 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.114 -4.025 -3.920 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.536 -6.169 -2.712 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.840 -5.828 -2.990 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.874 -3.926 -1.551 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.944 -3.076 -0.535 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.998 -2.975 -2.311 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.887 -4.264 -1.467 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.646 -4.885 0.570 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.555 -6.128 -0.322 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.778 -6.086 -0.415 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.451 -2.269 -4.372 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.486 -1.202 -4.563 1.00 0.17 C ATOM 1171 C HIS A 72 -4.892 0.036 -3.782 1.00 0.17 C ATOM 1172 O HIS A 72 -6.046 0.189 -3.403 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.329 -0.870 -6.049 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.577 -0.385 -6.731 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.491 -1.236 -7.305 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -6.036 0.869 -6.966 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.453 -0.535 -7.866 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.205 0.748 -7.678 1.00 0.29 N ATOM 0 H HIS A 72 -6.413 -1.953 -4.248 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.523 -1.546 -4.186 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.557 -0.108 -6.155 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.973 -1.760 -6.568 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.433 -2.254 -7.297 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.570 1.791 -6.652 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.304 -0.942 -8.393 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.948 0.927 -3.571 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.236 2.180 -2.898 1.00 0.19 C ATOM 1189 C VAL A 73 -4.366 3.273 -3.940 1.00 0.20 C ATOM 1190 O VAL A 73 -3.660 3.267 -4.946 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.155 2.563 -1.859 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.129 1.554 -0.718 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.779 2.669 -2.502 1.00 0.29 C ATOM 0 H VAL A 73 -2.975 0.810 -3.854 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.168 2.059 -2.347 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.414 3.543 -1.457 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.363 1.840 0.003 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.101 1.536 -0.226 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.904 0.563 -1.113 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -1.043 2.939 -1.745 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.509 1.710 -2.944 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.798 3.434 -3.279 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.294 4.176 -3.735 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.564 5.194 -4.723 1.00 0.18 C ATOM 1205 C LEU A 74 -5.692 6.544 -4.070 1.00 0.18 C ATOM 1206 O LEU A 74 -6.575 6.764 -3.244 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.844 4.839 -5.485 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.110 5.622 -6.773 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -8.085 4.861 -7.649 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.675 6.996 -6.470 1.00 0.80 C ATOM 0 H LEU A 74 -5.873 4.228 -2.897 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.732 5.239 -5.426 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.812 3.778 -5.731 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.692 4.985 -4.815 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.161 5.743 -7.295 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.269 5.425 -8.563 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.664 3.888 -7.901 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -9.024 4.722 -7.113 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -7.854 7.530 -7.403 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.614 6.892 -5.926 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -6.964 7.556 -5.863 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.812 7.446 -4.441 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.944 8.811 -4.003 1.00 0.18 C ATOM 1224 C ILE A 75 -5.901 9.533 -4.935 1.00 0.18 C ATOM 1225 O ILE A 75 -5.585 9.803 -6.095 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.585 9.549 -3.941 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.671 9.087 -5.076 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.916 9.350 -2.585 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.382 9.872 -5.171 1.00 0.30 C ATOM 0 H ILE A 75 -4.007 7.260 -5.038 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.337 8.806 -2.986 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.771 10.616 -4.066 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.435 8.032 -4.935 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.208 9.170 -6.021 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -1.963 9.879 -2.568 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.562 9.742 -1.799 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.744 8.287 -2.417 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.783 9.490 -5.998 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.609 10.924 -5.343 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.824 9.769 -4.241 1.00 0.30 H new ATOM 1241 N THR A 76 -7.083 9.807 -4.419 1.00 0.17 N ATOM 1242 CA THR A 76 -8.105 10.506 -5.167 1.00 0.20 C ATOM 1243 C THR A 76 -8.158 11.949 -4.730 1.00 0.19 C ATOM 1244 O THR A 76 -8.586 12.260 -3.623 1.00 0.22 O ATOM 1245 CB THR A 76 -9.485 9.879 -4.932 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.347 8.637 -4.225 1.00 0.25 O ATOM 1247 CG2 THR A 76 -10.180 9.629 -6.243 1.00 0.31 C ATOM 0 H THR A 76 -7.360 9.551 -3.471 1.00 0.17 H new ATOM 0 HA THR A 76 -7.853 10.435 -6.225 1.00 0.20 H new ATOM 0 HB THR A 76 -10.080 10.573 -4.339 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.523 8.782 -3.272 1.00 0.25 H new ATOM 0 HG21 THR A 76 -11.158 9.184 -6.058 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.306 10.573 -6.774 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.581 8.949 -6.849 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.730 12.828 -5.602 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.596 14.220 -5.247 1.00 0.25 C ATOM 1257 C VAL A 77 -8.506 15.099 -6.091 1.00 0.33 C ATOM 1258 O VAL A 77 -8.541 14.995 -7.321 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.130 14.686 -5.384 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.591 14.414 -6.779 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.000 16.156 -5.037 1.00 0.86 C ATOM 0 H VAL A 77 -7.468 12.605 -6.562 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.898 14.320 -4.205 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.531 14.111 -4.678 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.557 14.754 -6.842 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.635 13.344 -6.984 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -6.194 14.949 -7.513 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -4.959 16.464 -5.140 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.621 16.745 -5.712 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.326 16.318 -4.009 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.275 15.934 -5.414 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.086 16.931 -6.078 1.00 0.50 C ATOM 1273 C GLU A 78 -9.333 18.254 -6.089 1.00 0.63 C ATOM 1274 O GLU A 78 -9.410 19.028 -5.133 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.428 17.099 -5.358 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.311 15.862 -5.400 1.00 0.62 C ATOM 1277 CD GLU A 78 -12.957 15.644 -6.753 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -12.579 16.349 -7.713 1.00 1.63 O ATOM 1279 OE2 GLU A 78 -13.838 14.764 -6.869 1.00 1.55 O ATOM 0 H GLU A 78 -9.353 15.938 -4.397 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.285 16.610 -7.100 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.240 17.363 -4.317 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.967 17.933 -5.806 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -11.714 14.987 -5.143 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -13.089 15.951 -4.642 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.586 18.492 -7.155 1.00 0.66 N ATOM 1287 CA ASP A 79 -7.783 19.705 -7.277 1.00 0.84 C ATOM 1288 C ASP A 79 -7.285 19.829 -8.710 1.00 0.75 C ATOM 1289 O ASP A 79 -7.558 18.954 -9.535 1.00 1.08 O ATOM 1290 CB ASP A 79 -6.598 19.642 -6.297 1.00 1.20 C ATOM 1291 CG ASP A 79 -5.847 20.958 -6.138 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -4.998 21.275 -6.995 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -6.126 21.702 -5.177 1.00 2.05 O ATOM 0 H ASP A 79 -8.517 17.860 -7.953 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.388 20.578 -7.033 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -6.965 19.326 -5.321 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -5.900 18.877 -6.638 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.583 20.909 -9.010 1.00 0.91 N ATOM 1299 CA ALA A 80 -5.964 21.077 -10.309 1.00 1.17 C ATOM 1300 C ALA A 80 -4.893 20.014 -10.518 1.00 1.09 C ATOM 1301 O ALA A 80 -5.072 19.106 -11.334 1.00 1.60 O ATOM 1302 CB ALA A 80 -5.368 22.471 -10.442 1.00 1.85 C ATOM 0 H ALA A 80 -6.429 21.685 -8.366 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.728 20.960 -11.078 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -4.908 22.578 -11.424 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -6.156 23.216 -10.327 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -4.613 22.619 -9.670 1.00 1.85 H new ATOM 1308 N GLN A 81 -3.801 20.107 -9.749 1.00 1.04 N ATOM 1309 CA GLN A 81 -2.701 19.151 -9.861 1.00 1.65 C ATOM 1310 C GLN A 81 -1.562 19.483 -8.887 1.00 0.98 C ATOM 1311 O GLN A 81 -1.433 18.848 -7.841 1.00 0.75 O ATOM 1312 CB GLN A 81 -2.172 19.130 -11.306 1.00 2.75 C ATOM 1313 CG GLN A 81 -1.389 17.878 -11.684 1.00 3.72 C ATOM 1314 CD GLN A 81 0.105 17.998 -11.451 1.00 4.69 C ATOM 1315 OE1 GLN A 81 0.674 19.088 -11.519 1.00 5.14 O ATOM 1316 NE2 GLN A 81 0.753 16.875 -11.191 1.00 5.39 N ATOM 0 H GLN A 81 -3.659 20.833 -9.046 1.00 1.04 H new ATOM 0 HA GLN A 81 -3.085 18.165 -9.599 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -3.016 19.233 -11.988 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -1.533 20.000 -11.456 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -1.771 17.034 -11.109 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -1.567 17.653 -12.736 1.00 3.72 H new ATOM 0 HE21 GLN A 81 0.244 15.992 -11.143 1.00 5.39 H new ATOM 0 HE22 GLN A 81 1.761 16.892 -11.038 1.00 5.39 H new ATOM 1325 N ASN A 82 -0.805 20.532 -9.214 1.00 0.84 N ATOM 1326 CA ASN A 82 0.546 20.764 -8.665 1.00 0.71 C ATOM 1327 C ASN A 82 0.667 20.585 -7.147 1.00 0.59 C ATOM 1328 O ASN A 82 1.330 19.656 -6.673 1.00 0.56 O ATOM 1329 CB ASN A 82 1.006 22.186 -9.011 1.00 1.13 C ATOM 1330 CG ASN A 82 1.015 22.467 -10.499 1.00 1.74 C ATOM 1331 OD1 ASN A 82 2.018 22.247 -11.174 1.00 2.48 O ATOM 1332 ND2 ASN A 82 -0.096 22.970 -11.020 1.00 2.28 N ATOM 0 H ASN A 82 -1.107 21.252 -9.870 1.00 0.84 H new ATOM 0 HA ASN A 82 1.173 20.000 -9.124 1.00 0.71 H new ATOM 0 HB2 ASN A 82 0.350 22.903 -8.517 1.00 1.13 H new ATOM 0 HB3 ASN A 82 2.008 22.343 -8.612 1.00 1.13 H new ATOM 0 HD21 ASN A 82 -0.139 23.189 -12.015 1.00 2.28 H new ATOM 0 HD22 ASN A 82 -0.908 23.138 -10.425 1.00 2.28 H new ATOM 1339 N ARG A 83 0.005 21.446 -6.391 1.00 0.65 N ATOM 1340 CA ARG A 83 0.221 21.513 -4.952 1.00 0.63 C ATOM 1341 C ARG A 83 -0.413 20.320 -4.267 1.00 0.46 C ATOM 1342 O ARG A 83 0.181 19.705 -3.377 1.00 0.43 O ATOM 1343 CB ARG A 83 -0.337 22.834 -4.394 1.00 0.81 C ATOM 1344 CG ARG A 83 -0.229 22.972 -2.877 1.00 1.66 C ATOM 1345 CD ARG A 83 -1.478 22.465 -2.168 1.00 2.10 C ATOM 1346 NE ARG A 83 -2.611 23.380 -2.328 1.00 2.64 N ATOM 1347 CZ ARG A 83 -3.759 23.063 -2.930 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -3.923 21.869 -3.484 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -4.743 23.949 -2.980 1.00 4.17 N ATOM 0 H ARG A 83 -0.685 22.107 -6.747 1.00 0.65 H new ATOM 0 HA ARG A 83 1.292 21.484 -4.753 1.00 0.63 H new ATOM 0 HB2 ARG A 83 0.193 23.664 -4.861 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -1.385 22.922 -4.681 1.00 0.81 H new ATOM 0 HG2 ARG A 83 0.639 22.416 -2.523 1.00 1.66 H new ATOM 0 HG3 ARG A 83 -0.065 24.018 -2.619 1.00 1.66 H new ATOM 0 HD2 ARG A 83 -1.746 21.485 -2.562 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -1.265 22.335 -1.107 1.00 2.10 H new ATOM 0 HE ARG A 83 -2.516 24.324 -1.954 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -3.168 21.184 -3.452 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -4.804 21.636 -3.942 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -4.622 24.870 -2.559 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -5.622 23.710 -3.439 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.613 19.990 -4.700 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.353 18.906 -4.099 1.00 0.38 C ATOM 1365 C ALA A 84 -1.628 17.587 -4.270 1.00 0.29 C ATOM 1366 O ALA A 84 -1.202 16.985 -3.286 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.741 18.825 -4.687 1.00 0.49 C ATOM 0 H ALA A 84 -2.095 20.459 -5.467 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.436 19.108 -3.031 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.285 18.003 -4.223 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.270 19.760 -4.502 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.672 18.654 -5.761 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.451 17.161 -5.519 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.930 15.829 -5.795 1.00 0.26 C ATOM 1375 C GLU A 85 0.446 15.644 -5.185 1.00 0.28 C ATOM 1376 O GLU A 85 0.778 14.552 -4.739 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.906 15.531 -7.299 1.00 0.34 C ATOM 1378 CG GLU A 85 0.087 16.353 -8.102 1.00 0.49 C ATOM 1379 CD GLU A 85 1.403 15.637 -8.316 1.00 0.79 C ATOM 1380 OE1 GLU A 85 1.397 14.513 -8.859 1.00 1.24 O ATOM 1381 OE2 GLU A 85 2.452 16.191 -7.932 1.00 1.31 O ATOM 0 H GLU A 85 -1.660 17.716 -6.349 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.607 15.113 -5.329 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.678 14.475 -7.441 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.904 15.699 -7.703 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.350 16.598 -9.070 1.00 0.49 H new ATOM 0 HG3 GLU A 85 0.271 17.296 -7.588 1.00 0.49 H new ATOM 1388 N LEU A 86 1.233 16.715 -5.138 1.00 0.30 N ATOM 1389 CA LEU A 86 2.551 16.653 -4.529 1.00 0.36 C ATOM 1390 C LEU A 86 2.432 16.288 -3.044 1.00 0.28 C ATOM 1391 O LEU A 86 3.216 15.494 -2.511 1.00 0.28 O ATOM 1392 CB LEU A 86 3.276 17.992 -4.692 1.00 0.47 C ATOM 1393 CG LEU A 86 4.748 17.894 -5.119 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.416 19.256 -5.035 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.500 16.877 -4.271 1.00 1.47 C ATOM 0 H LEU A 86 0.980 17.629 -5.513 1.00 0.30 H new ATOM 0 HA LEU A 86 3.132 15.881 -5.033 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.740 18.589 -5.430 1.00 0.47 H new ATOM 0 HB3 LEU A 86 3.224 18.532 -3.746 1.00 0.47 H new ATOM 0 HG LEU A 86 4.777 17.554 -6.154 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.459 19.169 -5.341 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.901 19.955 -5.694 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.368 19.622 -4.009 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.539 16.829 -4.596 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.461 17.177 -3.224 1.00 1.47 H new ATOM 0 HD23 LEU A 86 5.039 15.896 -4.385 1.00 1.47 H new ATOM 1407 N LYS A 87 1.429 16.852 -2.388 1.00 0.24 N ATOM 1408 CA LYS A 87 1.221 16.617 -0.967 1.00 0.22 C ATOM 1409 C LYS A 87 0.725 15.190 -0.712 1.00 0.18 C ATOM 1410 O LYS A 87 1.202 14.507 0.191 1.00 0.20 O ATOM 1411 CB LYS A 87 0.236 17.647 -0.410 1.00 0.27 C ATOM 1412 CG LYS A 87 0.146 17.666 1.107 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.786 18.765 1.582 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.920 18.773 3.094 1.00 1.40 C ATOM 1415 NZ LYS A 87 0.364 19.077 3.777 1.00 1.74 N ATOM 0 H LYS A 87 0.746 17.476 -2.817 1.00 0.24 H new ATOM 0 HA LYS A 87 2.175 16.729 -0.451 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.528 18.638 -0.758 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -0.754 17.445 -0.819 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.211 16.701 1.466 1.00 0.29 H new ATOM 0 HG3 LYS A 87 1.138 17.817 1.532 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.411 19.731 1.245 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.769 18.629 1.130 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.667 19.512 3.386 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.285 17.802 3.428 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 0.191 19.221 4.792 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 1.023 18.283 3.647 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 0.778 19.940 3.370 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.239 14.740 -1.504 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.770 13.387 -1.353 1.00 0.21 C ATOM 1431 C LEU A 88 0.210 12.323 -1.814 1.00 0.21 C ATOM 1432 O LEU A 88 0.229 11.229 -1.263 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.117 13.230 -2.049 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.308 13.996 -3.348 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -2.723 13.057 -4.459 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.366 15.067 -3.148 1.00 1.33 C ATOM 0 H LEU A 88 -0.668 15.285 -2.252 1.00 0.19 H new ATOM 0 HA LEU A 88 -0.925 13.236 -0.285 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.273 12.171 -2.253 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.897 13.539 -1.354 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.365 14.464 -3.629 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -2.856 13.621 -5.382 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -1.951 12.301 -4.604 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -3.662 12.571 -4.193 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.506 15.619 -4.078 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.307 14.599 -2.859 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.046 15.753 -2.364 1.00 1.33 H new ATOM 1448 N LYS A 89 1.032 12.631 -2.806 1.00 0.26 N ATOM 1449 CA LYS A 89 1.999 11.650 -3.288 1.00 0.31 C ATOM 1450 C LYS A 89 3.055 11.360 -2.227 1.00 0.29 C ATOM 1451 O LYS A 89 3.484 10.223 -2.084 1.00 0.30 O ATOM 1452 CB LYS A 89 2.638 12.071 -4.624 1.00 0.41 C ATOM 1453 CG LYS A 89 3.503 13.321 -4.570 1.00 0.47 C ATOM 1454 CD LYS A 89 4.935 13.015 -4.168 1.00 0.90 C ATOM 1455 CE LYS A 89 5.645 12.179 -5.222 1.00 1.05 C ATOM 1456 NZ LYS A 89 7.026 11.817 -4.813 1.00 2.07 N ATOM 0 H LYS A 89 1.052 13.531 -3.286 1.00 0.26 H new ATOM 0 HA LYS A 89 1.455 10.726 -3.482 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.246 11.245 -4.992 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.843 12.231 -5.353 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.498 13.806 -5.546 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.072 14.028 -3.861 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.478 13.948 -4.016 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.941 12.484 -3.216 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.073 11.270 -5.409 1.00 1.05 H new ATOM 0 HE3 LYS A 89 5.679 12.733 -6.160 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.386 11.064 -5.434 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.641 12.652 -4.889 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 7.020 11.480 -3.829 1.00 2.07 H new ATOM 1470 N ARG A 90 3.460 12.370 -1.463 1.00 0.27 N ATOM 1471 CA ARG A 90 4.415 12.139 -0.385 1.00 0.30 C ATOM 1472 C ARG A 90 3.750 11.349 0.741 1.00 0.25 C ATOM 1473 O ARG A 90 4.371 10.477 1.352 1.00 0.28 O ATOM 1474 CB ARG A 90 5.016 13.451 0.143 1.00 0.36 C ATOM 1475 CG ARG A 90 4.008 14.399 0.763 1.00 0.35 C ATOM 1476 CD ARG A 90 4.686 15.572 1.441 1.00 0.75 C ATOM 1477 NE ARG A 90 5.525 15.141 2.557 1.00 1.44 N ATOM 1478 CZ ARG A 90 6.002 15.957 3.492 1.00 1.98 C ATOM 1479 NH1 ARG A 90 5.737 17.258 3.451 1.00 2.10 N ATOM 1480 NH2 ARG A 90 6.753 15.468 4.464 1.00 2.93 N ATOM 0 H ARG A 90 3.150 13.336 -1.566 1.00 0.27 H new ATOM 0 HA ARG A 90 5.241 11.554 -0.789 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.778 13.214 0.886 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.519 13.962 -0.678 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.331 14.766 -0.009 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.400 13.860 1.490 1.00 0.35 H new ATOM 0 HD2 ARG A 90 5.295 16.110 0.714 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.931 16.270 1.802 1.00 0.75 H new ATOM 0 HE ARG A 90 5.760 14.151 2.623 1.00 1.44 H new ATOM 0 HH11 ARG A 90 5.163 17.638 2.698 1.00 2.10 H new ATOM 0 HH12 ARG A 90 6.107 17.877 4.172 1.00 2.10 H new ATOM 0 HH21 ARG A 90 6.963 14.470 4.493 1.00 2.93 H new ATOM 0 HH22 ARG A 90 7.122 16.088 5.185 1.00 2.93 H new ATOM 1494 N ALA A 91 2.474 11.641 0.985 1.00 0.22 N ATOM 1495 CA ALA A 91 1.698 10.924 1.991 1.00 0.23 C ATOM 1496 C ALA A 91 1.469 9.482 1.573 1.00 0.21 C ATOM 1497 O ALA A 91 1.625 8.558 2.366 1.00 0.24 O ATOM 1498 CB ALA A 91 0.362 11.607 2.212 1.00 0.26 C ATOM 0 H ALA A 91 1.956 12.372 0.497 1.00 0.22 H new ATOM 0 HA ALA A 91 2.266 10.933 2.921 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.206 11.061 2.965 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.528 12.629 2.553 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.198 11.623 1.277 1.00 0.26 H new ATOM 1504 N VAL A 92 1.092 9.294 0.320 1.00 0.18 N ATOM 1505 CA VAL A 92 0.843 7.966 -0.204 1.00 0.19 C ATOM 1506 C VAL A 92 2.151 7.187 -0.300 1.00 0.22 C ATOM 1507 O VAL A 92 2.161 5.963 -0.224 1.00 0.24 O ATOM 1508 CB VAL A 92 0.130 8.010 -1.575 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.101 8.347 -2.694 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.580 6.694 -1.846 1.00 0.26 C ATOM 0 H VAL A 92 0.952 10.047 -0.353 1.00 0.18 H new ATOM 0 HA VAL A 92 0.174 7.455 0.488 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.617 8.803 -1.542 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.567 8.370 -3.644 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.549 9.323 -2.506 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.885 7.590 -2.736 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.077 6.741 -2.815 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.147 5.882 -1.851 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.321 6.513 -1.067 1.00 0.26 H new ATOM 1520 N GLU A 93 3.252 7.908 -0.473 1.00 0.25 N ATOM 1521 CA GLU A 93 4.575 7.306 -0.426 1.00 0.31 C ATOM 1522 C GLU A 93 4.873 6.765 0.968 1.00 0.31 C ATOM 1523 O GLU A 93 5.617 5.796 1.131 1.00 0.33 O ATOM 1524 CB GLU A 93 5.637 8.316 -0.843 1.00 0.39 C ATOM 1525 CG GLU A 93 5.877 8.364 -2.341 1.00 0.71 C ATOM 1526 CD GLU A 93 7.028 9.269 -2.726 1.00 1.14 C ATOM 1527 OE1 GLU A 93 6.946 10.491 -2.474 1.00 1.61 O ATOM 1528 OE2 GLU A 93 8.013 8.765 -3.304 1.00 1.63 O ATOM 0 H GLU A 93 3.253 8.913 -0.647 1.00 0.25 H new ATOM 0 HA GLU A 93 4.595 6.473 -1.128 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.339 9.307 -0.500 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.574 8.073 -0.341 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.077 7.356 -2.704 1.00 0.71 H new ATOM 0 HG3 GLU A 93 4.970 8.707 -2.838 1.00 0.71 H new ATOM 1535 N GLU A 94 4.298 7.397 1.979 1.00 0.31 N ATOM 1536 CA GLU A 94 4.350 6.858 3.329 1.00 0.34 C ATOM 1537 C GLU A 94 3.585 5.541 3.377 1.00 0.29 C ATOM 1538 O GLU A 94 4.015 4.577 4.014 1.00 0.29 O ATOM 1539 CB GLU A 94 3.775 7.853 4.334 1.00 0.42 C ATOM 1540 CG GLU A 94 4.523 9.175 4.374 1.00 0.90 C ATOM 1541 CD GLU A 94 3.895 10.171 5.326 1.00 1.40 C ATOM 1542 OE1 GLU A 94 3.417 9.755 6.404 1.00 1.62 O ATOM 1543 OE2 GLU A 94 3.846 11.371 4.985 1.00 2.09 O ATOM 0 H GLU A 94 3.793 8.279 1.892 1.00 0.31 H new ATOM 0 HA GLU A 94 5.390 6.678 3.600 1.00 0.34 H new ATOM 0 HB2 GLU A 94 2.730 8.043 4.088 1.00 0.42 H new ATOM 0 HB3 GLU A 94 3.792 7.405 5.327 1.00 0.42 H new ATOM 0 HG2 GLU A 94 5.556 8.995 4.672 1.00 0.90 H new ATOM 0 HG3 GLU A 94 4.550 9.603 3.372 1.00 0.90 H new ATOM 1550 N VAL A 95 2.457 5.494 2.679 1.00 0.28 N ATOM 1551 CA VAL A 95 1.732 4.245 2.515 1.00 0.26 C ATOM 1552 C VAL A 95 2.591 3.260 1.732 1.00 0.25 C ATOM 1553 O VAL A 95 2.562 2.072 1.999 1.00 0.26 O ATOM 1554 CB VAL A 95 0.378 4.425 1.800 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.347 3.086 1.692 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.483 5.442 2.536 1.00 0.62 C ATOM 0 H VAL A 95 2.029 6.299 2.222 1.00 0.28 H new ATOM 0 HA VAL A 95 1.519 3.864 3.514 1.00 0.26 H new ATOM 0 HB VAL A 95 0.564 4.799 0.793 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.301 3.229 1.185 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.265 2.386 1.123 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.523 2.686 2.691 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.435 5.556 2.017 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.664 5.097 3.554 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.032 6.402 2.565 1.00 0.62 H new ATOM 1566 N LYS A 96 3.362 3.765 0.770 1.00 0.26 N ATOM 1567 CA LYS A 96 4.335 2.941 0.043 1.00 0.30 C ATOM 1568 C LYS A 96 5.313 2.265 1.012 1.00 0.33 C ATOM 1569 O LYS A 96 5.846 1.194 0.729 1.00 0.39 O ATOM 1570 CB LYS A 96 5.110 3.772 -0.986 1.00 0.36 C ATOM 1571 CG LYS A 96 4.266 4.256 -2.160 1.00 0.88 C ATOM 1572 CD LYS A 96 3.786 3.103 -3.026 1.00 1.20 C ATOM 1573 CE LYS A 96 4.946 2.376 -3.694 1.00 1.69 C ATOM 1574 NZ LYS A 96 4.484 1.313 -4.628 1.00 2.00 N ATOM 0 H LYS A 96 3.334 4.741 0.474 1.00 0.26 H new ATOM 0 HA LYS A 96 3.776 2.170 -0.487 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.545 4.637 -0.485 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.938 3.175 -1.369 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.406 4.811 -1.785 1.00 0.88 H new ATOM 0 HG3 LYS A 96 4.851 4.947 -2.767 1.00 0.88 H new ATOM 0 HD2 LYS A 96 3.220 2.400 -2.414 1.00 1.20 H new ATOM 0 HD3 LYS A 96 3.106 3.480 -3.789 1.00 1.20 H new ATOM 0 HE2 LYS A 96 5.557 3.095 -4.239 1.00 1.69 H new ATOM 0 HE3 LYS A 96 5.583 1.932 -2.929 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 5.308 0.847 -5.058 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 3.923 0.611 -4.105 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 3.898 1.738 -5.375 1.00 2.00 H new ATOM 1588 N LYS A 97 5.565 2.913 2.139 1.00 0.33 N ATOM 1589 CA LYS A 97 6.402 2.342 3.182 1.00 0.39 C ATOM 1590 C LYS A 97 5.635 1.225 3.889 1.00 0.35 C ATOM 1591 O LYS A 97 6.220 0.252 4.362 1.00 0.45 O ATOM 1592 CB LYS A 97 6.812 3.453 4.166 1.00 0.49 C ATOM 1593 CG LYS A 97 7.917 3.084 5.152 1.00 1.09 C ATOM 1594 CD LYS A 97 7.395 2.312 6.355 1.00 1.89 C ATOM 1595 CE LYS A 97 8.461 2.167 7.431 1.00 2.76 C ATOM 1596 NZ LYS A 97 9.705 1.546 6.904 1.00 3.43 N ATOM 0 H LYS A 97 5.199 3.840 2.355 1.00 0.33 H new ATOM 0 HA LYS A 97 7.308 1.914 2.753 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.137 4.321 3.592 1.00 0.49 H new ATOM 0 HB3 LYS A 97 5.931 3.756 4.732 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.670 2.485 4.640 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.411 3.993 5.495 1.00 1.09 H new ATOM 0 HD2 LYS A 97 6.527 2.825 6.769 1.00 1.89 H new ATOM 0 HD3 LYS A 97 7.061 1.324 6.037 1.00 1.89 H new ATOM 0 HE2 LYS A 97 8.693 3.148 7.845 1.00 2.76 H new ATOM 0 HE3 LYS A 97 8.071 1.560 8.248 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 10.323 1.280 7.697 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 9.463 0.697 6.354 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 10.200 2.226 6.292 1.00 3.43 H new ATOM 1610 N LEU A 98 4.316 1.375 3.935 1.00 0.30 N ATOM 1611 CA LEU A 98 3.447 0.407 4.602 1.00 0.33 C ATOM 1612 C LEU A 98 2.987 -0.737 3.688 1.00 0.27 C ATOM 1613 O LEU A 98 2.944 -1.877 4.132 1.00 0.35 O ATOM 1614 CB LEU A 98 2.221 1.113 5.200 1.00 0.45 C ATOM 1615 CG LEU A 98 2.395 1.693 6.611 1.00 0.83 C ATOM 1616 CD1 LEU A 98 2.715 0.589 7.606 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.473 2.767 6.640 1.00 1.29 C ATOM 0 H LEU A 98 3.821 2.162 3.516 1.00 0.30 H new ATOM 0 HA LEU A 98 4.048 -0.042 5.393 1.00 0.33 H new ATOM 0 HB2 LEU A 98 1.931 1.922 4.530 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.393 0.404 5.220 1.00 0.45 H new ATOM 0 HG LEU A 98 1.452 2.159 6.898 1.00 0.83 H new ATOM 0 HD11 LEU A 98 2.835 1.019 8.600 1.00 1.70 H new ATOM 0 HD12 LEU A 98 1.901 -0.136 7.620 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.639 0.091 7.312 1.00 1.70 H new ATOM 0 HD21 LEU A 98 3.571 3.157 7.653 1.00 1.29 H new ATOM 0 HD22 LEU A 98 4.423 2.337 6.323 1.00 1.29 H new ATOM 0 HD23 LEU A 98 3.198 3.577 5.965 1.00 1.29 H new ATOM 1629 N LEU A 99 2.666 -0.465 2.417 1.00 0.21 N ATOM 1630 CA LEU A 99 2.073 -1.500 1.553 1.00 0.22 C ATOM 1631 C LEU A 99 3.109 -2.534 1.079 1.00 0.25 C ATOM 1632 O LEU A 99 2.969 -3.138 0.014 1.00 0.43 O ATOM 1633 CB LEU A 99 1.289 -0.905 0.353 1.00 0.36 C ATOM 1634 CG LEU A 99 2.019 -0.109 -0.741 1.00 0.38 C ATOM 1635 CD1 LEU A 99 1.512 1.315 -0.775 1.00 1.29 C ATOM 1636 CD2 LEU A 99 3.532 -0.151 -0.626 1.00 1.30 C ATOM 0 H LEU A 99 2.802 0.441 1.969 1.00 0.21 H new ATOM 0 HA LEU A 99 1.351 -2.024 2.179 1.00 0.22 H new ATOM 0 HB2 LEU A 99 0.778 -1.733 -0.139 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.518 -0.253 0.764 1.00 0.36 H new ATOM 0 HG LEU A 99 1.788 -0.599 -1.687 1.00 0.38 H new ATOM 0 HD11 LEU A 99 2.036 1.869 -1.554 1.00 1.29 H new ATOM 0 HD12 LEU A 99 0.443 1.316 -0.986 1.00 1.29 H new ATOM 0 HD13 LEU A 99 1.691 1.788 0.190 1.00 1.29 H new ATOM 0 HD21 LEU A 99 3.975 0.433 -1.433 1.00 1.30 H new ATOM 0 HD22 LEU A 99 3.836 0.267 0.334 1.00 1.30 H new ATOM 0 HD23 LEU A 99 3.874 -1.184 -0.696 1.00 1.30 H new ATOM 1648 N VAL A 100 4.141 -2.735 1.878 1.00 0.32 N ATOM 1649 CA VAL A 100 5.202 -3.663 1.543 1.00 0.36 C ATOM 1650 C VAL A 100 5.007 -4.982 2.294 1.00 0.37 C ATOM 1651 O VAL A 100 4.740 -4.982 3.497 1.00 0.45 O ATOM 1652 CB VAL A 100 6.591 -3.051 1.864 1.00 0.48 C ATOM 1653 CG1 VAL A 100 6.736 -2.749 3.350 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.714 -3.960 1.390 1.00 1.29 C ATOM 0 H VAL A 100 4.266 -2.261 2.773 1.00 0.32 H new ATOM 0 HA VAL A 100 5.161 -3.863 0.472 1.00 0.36 H new ATOM 0 HB VAL A 100 6.664 -2.108 1.322 1.00 0.48 H new ATOM 0 HG11 VAL A 100 7.720 -2.321 3.540 1.00 1.35 H new ATOM 0 HG12 VAL A 100 5.967 -2.039 3.654 1.00 1.35 H new ATOM 0 HG13 VAL A 100 6.624 -3.671 3.921 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.675 -3.505 1.628 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.636 -4.926 1.889 1.00 1.29 H new ATOM 0 HG23 VAL A 100 7.637 -4.102 0.312 1.00 1.29 H new ATOM 1664 N PRO A 101 5.118 -6.123 1.585 1.00 0.39 N ATOM 1665 CA PRO A 101 4.981 -7.467 2.181 1.00 0.49 C ATOM 1666 C PRO A 101 6.078 -7.772 3.191 1.00 0.65 C ATOM 1667 O PRO A 101 6.060 -8.814 3.852 1.00 0.88 O ATOM 1668 CB PRO A 101 5.090 -8.406 0.977 1.00 0.64 C ATOM 1669 CG PRO A 101 5.821 -7.614 -0.049 1.00 0.60 C ATOM 1670 CD PRO A 101 5.367 -6.197 0.137 1.00 0.45 C ATOM 0 HA PRO A 101 4.048 -7.569 2.736 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.629 -9.318 1.233 1.00 0.64 H new ATOM 0 HB3 PRO A 101 4.106 -8.708 0.619 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.899 -7.701 0.084 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.594 -7.970 -1.054 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.128 -5.483 -0.180 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.468 -5.981 -0.440 1.00 0.45 H new ATOM 1735 N ASP A 107 18.234 -11.157 4.901 1.00 9.76 N ATOM 1736 CA ASP A 107 18.173 -12.151 3.842 1.00 10.43 C ATOM 1737 C ASP A 107 19.039 -11.684 2.679 1.00 10.48 C ATOM 1738 O ASP A 107 20.185 -11.275 2.892 1.00 11.15 O ATOM 1739 CB ASP A 107 16.708 -12.375 3.431 1.00 10.67 C ATOM 1740 CG ASP A 107 15.983 -11.087 3.082 1.00 11.41 C ATOM 1741 OD1 ASP A 107 16.033 -10.672 1.903 1.00 11.57 O ATOM 1742 OD2 ASP A 107 15.368 -10.485 3.988 1.00 11.98 O ATOM 0 HA ASP A 107 18.561 -13.110 4.185 1.00 10.43 H new ATOM 0 HB2 ASP A 107 16.676 -13.047 2.573 1.00 10.67 H new ATOM 0 HB3 ASP A 107 16.181 -12.873 4.245 1.00 10.67 H new ATOM 1747 N SER A 108 18.510 -11.723 1.468 1.00 9.96 N ATOM 1748 CA SER A 108 19.208 -11.204 0.310 1.00 10.24 C ATOM 1749 C SER A 108 19.572 -9.738 0.529 1.00 10.41 C ATOM 1750 O SER A 108 20.543 -9.236 -0.035 1.00 11.07 O ATOM 1751 CB SER A 108 18.314 -11.353 -0.908 1.00 9.88 C ATOM 1752 OG SER A 108 17.940 -12.706 -1.102 1.00 10.00 O ATOM 0 H SER A 108 17.590 -12.113 1.263 1.00 9.96 H new ATOM 0 HA SER A 108 20.131 -11.763 0.154 1.00 10.24 H new ATOM 0 HB2 SER A 108 17.421 -10.739 -0.785 1.00 9.88 H new ATOM 0 HB3 SER A 108 18.834 -10.986 -1.792 1.00 9.88 H new ATOM 0 HG SER A 108 17.363 -12.776 -1.891 1.00 10.00 H new ATOM 1758 N LEU A 109 18.790 -9.071 1.374 1.00 10.02 N ATOM 1759 CA LEU A 109 19.065 -7.697 1.778 1.00 10.41 C ATOM 1760 C LEU A 109 20.483 -7.572 2.328 1.00 11.26 C ATOM 1761 O LEU A 109 21.204 -6.623 2.021 1.00 11.94 O ATOM 1762 CB LEU A 109 18.075 -7.255 2.858 1.00 10.12 C ATOM 1763 CG LEU A 109 16.599 -7.394 2.498 1.00 9.48 C ATOM 1764 CD1 LEU A 109 15.739 -7.107 3.719 1.00 9.47 C ATOM 1765 CD2 LEU A 109 16.234 -6.459 1.354 1.00 9.65 C ATOM 0 H LEU A 109 17.950 -9.467 1.796 1.00 10.02 H new ATOM 0 HA LEU A 109 18.961 -7.061 0.899 1.00 10.41 H new ATOM 0 HB2 LEU A 109 18.266 -7.836 3.760 1.00 10.12 H new ATOM 0 HB3 LEU A 109 18.274 -6.212 3.102 1.00 10.12 H new ATOM 0 HG LEU A 109 16.414 -8.417 2.170 1.00 9.48 H new ATOM 0 HD11 LEU A 109 14.686 -7.208 3.455 1.00 9.47 H new ATOM 0 HD12 LEU A 109 15.984 -7.815 4.511 1.00 9.47 H new ATOM 0 HD13 LEU A 109 15.930 -6.092 4.068 1.00 9.47 H new ATOM 0 HD21 LEU A 109 15.177 -6.574 1.113 1.00 9.65 H new ATOM 0 HD22 LEU A 109 16.429 -5.428 1.650 1.00 9.65 H new ATOM 0 HD23 LEU A 109 16.835 -6.704 0.478 1.00 9.65 H new ATOM 1777 N LYS A 110 20.877 -8.546 3.139 1.00 11.40 N ATOM 1778 CA LYS A 110 22.175 -8.521 3.794 1.00 12.34 C ATOM 1779 C LYS A 110 23.243 -9.102 2.877 1.00 12.93 C ATOM 1780 O LYS A 110 24.365 -8.592 2.802 1.00 13.70 O ATOM 1781 CB LYS A 110 22.117 -9.311 5.105 1.00 12.53 C ATOM 1782 CG LYS A 110 23.241 -8.966 6.069 1.00 12.99 C ATOM 1783 CD LYS A 110 23.214 -7.489 6.428 1.00 13.18 C ATOM 1784 CE LYS A 110 21.905 -7.101 7.096 1.00 13.26 C ATOM 1785 NZ LYS A 110 21.731 -5.627 7.163 1.00 13.83 N ATOM 0 H LYS A 110 20.312 -9.366 3.358 1.00 11.40 H new ATOM 0 HA LYS A 110 22.434 -7.486 4.017 1.00 12.34 H new ATOM 0 HB2 LYS A 110 21.160 -9.122 5.592 1.00 12.53 H new ATOM 0 HB3 LYS A 110 22.156 -10.377 4.880 1.00 12.53 H new ATOM 0 HG2 LYS A 110 23.146 -9.566 6.974 1.00 12.99 H new ATOM 0 HG3 LYS A 110 24.201 -9.217 5.619 1.00 12.99 H new ATOM 0 HD2 LYS A 110 24.045 -7.260 7.095 1.00 13.18 H new ATOM 0 HD3 LYS A 110 23.355 -6.892 5.527 1.00 13.18 H new ATOM 0 HE2 LYS A 110 21.073 -7.540 6.546 1.00 13.26 H new ATOM 0 HE3 LYS A 110 21.875 -7.516 8.103 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 20.826 -5.405 7.625 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 22.511 -5.210 7.710 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 21.734 -5.233 6.201 1.00 13.83 H new ATOM 1799 N LYS A 111 22.881 -10.171 2.177 1.00 12.70 N ATOM 1800 CA LYS A 111 23.796 -10.852 1.267 1.00 13.45 C ATOM 1801 C LYS A 111 24.213 -9.948 0.112 1.00 13.69 C ATOM 1802 O LYS A 111 25.403 -9.764 -0.156 1.00 14.58 O ATOM 1803 CB LYS A 111 23.135 -12.115 0.709 1.00 13.35 C ATOM 1804 CG LYS A 111 22.861 -13.184 1.752 1.00 13.65 C ATOM 1805 CD LYS A 111 24.146 -13.814 2.257 1.00 14.12 C ATOM 1806 CE LYS A 111 23.855 -14.959 3.214 1.00 14.42 C ATOM 1807 NZ LYS A 111 25.088 -15.695 3.592 1.00 14.52 N ATOM 0 H LYS A 111 21.951 -10.588 2.223 1.00 12.70 H new ATOM 0 HA LYS A 111 24.688 -11.118 1.833 1.00 13.45 H new ATOM 0 HB2 LYS A 111 22.195 -11.839 0.231 1.00 13.35 H new ATOM 0 HB3 LYS A 111 23.776 -12.535 -0.067 1.00 13.35 H new ATOM 0 HG2 LYS A 111 22.317 -12.746 2.589 1.00 13.65 H new ATOM 0 HG3 LYS A 111 22.221 -13.955 1.324 1.00 13.65 H new ATOM 0 HD2 LYS A 111 24.731 -14.181 1.413 1.00 14.12 H new ATOM 0 HD3 LYS A 111 24.751 -13.060 2.760 1.00 14.12 H new ATOM 0 HE2 LYS A 111 23.376 -14.568 4.112 1.00 14.42 H new ATOM 0 HE3 LYS A 111 23.149 -15.648 2.751 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 24.845 -16.467 4.245 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 25.532 -16.090 2.739 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 25.752 -15.044 4.058 1.00 14.52 H new ATOM 1821 N MET A 112 23.223 -9.380 -0.556 1.00 13.03 N ATOM 1822 CA MET A 112 23.447 -8.652 -1.796 1.00 13.43 C ATOM 1823 C MET A 112 24.041 -7.273 -1.568 1.00 13.93 C ATOM 1824 O MET A 112 24.751 -6.758 -2.429 1.00 14.71 O ATOM 1825 CB MET A 112 22.148 -8.543 -2.592 1.00 12.78 C ATOM 1826 CG MET A 112 21.678 -9.873 -3.159 1.00 12.65 C ATOM 1827 SD MET A 112 20.059 -9.765 -3.951 1.00 12.08 S ATOM 1828 CE MET A 112 20.392 -8.575 -5.251 1.00 12.60 C ATOM 0 H MET A 112 22.248 -9.409 -0.258 1.00 13.03 H new ATOM 0 HA MET A 112 24.178 -9.223 -2.369 1.00 13.43 H new ATOM 0 HB2 MET A 112 21.369 -8.134 -1.949 1.00 12.78 H new ATOM 0 HB3 MET A 112 22.289 -7.837 -3.410 1.00 12.78 H new ATOM 0 HG2 MET A 112 22.409 -10.232 -3.884 1.00 12.65 H new ATOM 0 HG3 MET A 112 21.636 -10.610 -2.357 1.00 12.65 H new ATOM 0 HE1 MET A 112 19.593 -8.612 -5.992 1.00 12.60 H new ATOM 0 HE2 MET A 112 20.444 -7.574 -4.823 1.00 12.60 H new ATOM 0 HE3 MET A 112 21.342 -8.815 -5.729 1.00 12.60 H new ATOM 1838 N LYS A 113 23.753 -6.664 -0.430 1.00 13.65 N ATOM 1839 CA LYS A 113 24.283 -5.338 -0.156 1.00 14.28 C ATOM 1840 C LYS A 113 25.770 -5.416 0.179 1.00 15.23 C ATOM 1841 O LYS A 113 26.548 -4.562 -0.223 1.00 16.03 O ATOM 1842 CB LYS A 113 23.508 -4.676 0.990 1.00 13.94 C ATOM 1843 CG LYS A 113 23.383 -3.150 0.889 1.00 14.60 C ATOM 1844 CD LYS A 113 24.648 -2.408 1.322 1.00 15.23 C ATOM 1845 CE LYS A 113 25.523 -2.004 0.138 1.00 16.15 C ATOM 1846 NZ LYS A 113 26.696 -1.195 0.565 1.00 16.72 N ATOM 0 H LYS A 113 23.167 -7.057 0.307 1.00 13.65 H new ATOM 0 HA LYS A 113 24.163 -4.727 -1.051 1.00 14.28 H new ATOM 0 HB2 LYS A 113 22.507 -5.106 1.028 1.00 13.94 H new ATOM 0 HB3 LYS A 113 23.998 -4.924 1.931 1.00 13.94 H new ATOM 0 HG2 LYS A 113 23.146 -2.879 -0.140 1.00 14.60 H new ATOM 0 HG3 LYS A 113 22.547 -2.819 1.506 1.00 14.60 H new ATOM 0 HD2 LYS A 113 24.368 -1.517 1.884 1.00 15.23 H new ATOM 0 HD3 LYS A 113 25.224 -3.042 1.996 1.00 15.23 H new ATOM 0 HE2 LYS A 113 25.868 -2.899 -0.380 1.00 16.15 H new ATOM 0 HE3 LYS A 113 24.928 -1.433 -0.575 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 27.264 -0.941 -0.268 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 26.367 -0.329 1.037 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 27.278 -1.749 1.225 1.00 16.72 H new ATOM 1860 N LEU A 114 26.187 -6.453 0.881 1.00 15.27 N ATOM 1861 CA LEU A 114 27.565 -6.522 1.298 1.00 16.25 C ATOM 1862 C LEU A 114 28.426 -7.336 0.334 1.00 16.89 C ATOM 1863 O LEU A 114 29.303 -6.792 -0.334 1.00 17.72 O ATOM 1864 CB LEU A 114 27.662 -7.104 2.704 1.00 16.24 C ATOM 1865 CG LEU A 114 29.050 -7.027 3.323 1.00 16.63 C ATOM 1866 CD1 LEU A 114 29.485 -5.577 3.438 1.00 17.08 C ATOM 1867 CD2 LEU A 114 29.060 -7.702 4.678 1.00 16.95 C ATOM 0 H LEU A 114 25.604 -7.239 1.167 1.00 15.27 H new ATOM 0 HA LEU A 114 27.952 -5.503 1.296 1.00 16.25 H new ATOM 0 HB2 LEU A 114 26.960 -6.578 3.351 1.00 16.24 H new ATOM 0 HB3 LEU A 114 27.348 -8.147 2.674 1.00 16.24 H new ATOM 0 HG LEU A 114 29.757 -7.551 2.679 1.00 16.63 H new ATOM 0 HD11 LEU A 114 30.479 -5.530 3.882 1.00 17.08 H new ATOM 0 HD12 LEU A 114 29.508 -5.124 2.447 1.00 17.08 H new ATOM 0 HD13 LEU A 114 28.780 -5.035 4.068 1.00 17.08 H new ATOM 0 HD21 LEU A 114 30.059 -7.639 5.109 1.00 16.95 H new ATOM 0 HD22 LEU A 114 28.349 -7.205 5.337 1.00 16.95 H new ATOM 0 HD23 LEU A 114 28.779 -8.749 4.565 1.00 16.95 H new ATOM 1879 N MET A 115 28.159 -8.632 0.243 1.00 16.60 N ATOM 1880 CA MET A 115 29.054 -9.532 -0.475 1.00 17.37 C ATOM 1881 C MET A 115 28.684 -9.639 -1.946 1.00 17.30 C ATOM 1882 O MET A 115 29.548 -9.517 -2.810 1.00 18.16 O ATOM 1883 CB MET A 115 29.077 -10.914 0.186 1.00 17.40 C ATOM 1884 CG MET A 115 30.054 -11.884 -0.462 1.00 18.36 C ATOM 1885 SD MET A 115 29.302 -12.870 -1.774 1.00 18.37 S ATOM 1886 CE MET A 115 28.050 -13.757 -0.847 1.00 17.17 C ATOM 0 H MET A 115 27.339 -9.081 0.652 1.00 16.60 H new ATOM 0 HA MET A 115 30.057 -9.109 -0.423 1.00 17.37 H new ATOM 0 HB2 MET A 115 29.336 -10.800 1.239 1.00 17.40 H new ATOM 0 HB3 MET A 115 28.075 -11.342 0.149 1.00 17.40 H new ATOM 0 HG2 MET A 115 30.895 -11.325 -0.872 1.00 18.36 H new ATOM 0 HG3 MET A 115 30.456 -12.550 0.301 1.00 18.36 H new ATOM 0 HE1 MET A 115 27.884 -14.734 -1.302 1.00 17.17 H new ATOM 0 HE2 MET A 115 28.384 -13.888 0.182 1.00 17.17 H new ATOM 0 HE3 MET A 115 27.119 -13.190 -0.857 1.00 17.17 H new ATOM 1896 N GLU A 116 27.401 -9.838 -2.237 1.00 16.38 N ATOM 1897 CA GLU A 116 26.943 -9.926 -3.622 1.00 16.41 C ATOM 1898 C GLU A 116 27.226 -8.621 -4.357 1.00 16.77 C ATOM 1899 O GLU A 116 27.342 -8.589 -5.582 1.00 17.19 O ATOM 1900 CB GLU A 116 25.449 -10.238 -3.675 1.00 15.41 C ATOM 1901 CG GLU A 116 25.081 -11.613 -3.139 1.00 15.12 C ATOM 1902 CD GLU A 116 25.575 -12.734 -4.026 1.00 15.91 C ATOM 1903 OE1 GLU A 116 25.396 -12.640 -5.259 1.00 16.29 O ATOM 1904 OE2 GLU A 116 26.144 -13.714 -3.500 1.00 16.27 O ATOM 0 H GLU A 116 26.665 -9.941 -1.539 1.00 16.38 H new ATOM 0 HA GLU A 116 27.487 -10.734 -4.111 1.00 16.41 H new ATOM 0 HB2 GLU A 116 24.911 -9.482 -3.104 1.00 15.41 H new ATOM 0 HB3 GLU A 116 25.109 -10.160 -4.708 1.00 15.41 H new ATOM 0 HG2 GLU A 116 25.500 -11.734 -2.140 1.00 15.12 H new ATOM 0 HG3 GLU A 116 23.998 -11.683 -3.041 1.00 15.12 H new ATOM 1911 N LEU A 117 27.346 -7.557 -3.581 1.00 16.72 N ATOM 1912 CA LEU A 117 27.603 -6.222 -4.106 1.00 17.21 C ATOM 1913 C LEU A 117 29.029 -6.143 -4.630 1.00 18.39 C ATOM 1914 O LEU A 117 29.270 -5.730 -5.766 1.00 18.98 O ATOM 1915 CB LEU A 117 27.378 -5.187 -2.994 1.00 17.03 C ATOM 1916 CG LEU A 117 27.087 -3.743 -3.432 1.00 17.18 C ATOM 1917 CD1 LEU A 117 28.335 -3.064 -3.978 1.00 18.26 C ATOM 1918 CD2 LEU A 117 25.974 -3.718 -4.468 1.00 16.60 C ATOM 0 H LEU A 117 27.268 -7.593 -2.565 1.00 16.72 H new ATOM 0 HA LEU A 117 26.920 -6.011 -4.929 1.00 17.21 H new ATOM 0 HB2 LEU A 117 26.546 -5.528 -2.377 1.00 17.03 H new ATOM 0 HB3 LEU A 117 28.263 -5.176 -2.358 1.00 17.03 H new ATOM 0 HG LEU A 117 26.764 -3.187 -2.552 1.00 17.18 H new ATOM 0 HD11 LEU A 117 28.093 -2.045 -4.278 1.00 18.26 H new ATOM 0 HD12 LEU A 117 29.104 -3.042 -3.206 1.00 18.26 H new ATOM 0 HD13 LEU A 117 28.703 -3.619 -4.841 1.00 18.26 H new ATOM 0 HD21 LEU A 117 25.779 -2.688 -4.768 1.00 16.60 H new ATOM 0 HD22 LEU A 117 26.275 -4.299 -5.339 1.00 16.60 H new ATOM 0 HD23 LEU A 117 25.069 -4.148 -4.040 1.00 16.60 H new ATOM 1930 N ALA A 118 29.963 -6.560 -3.793 1.00 18.81 N ATOM 1931 CA ALA A 118 31.362 -6.506 -4.124 1.00 19.94 C ATOM 1932 C ALA A 118 32.130 -7.513 -3.295 1.00 20.25 C ATOM 1933 O ALA A 118 32.525 -7.235 -2.158 1.00 20.88 O ATOM 1934 CB ALA A 118 31.921 -5.103 -3.919 1.00 20.42 C ATOM 0 H ALA A 118 29.766 -6.943 -2.869 1.00 18.81 H new ATOM 0 HA ALA A 118 31.476 -6.758 -5.178 1.00 19.94 H new ATOM 0 HB1 ALA A 118 32.980 -5.092 -4.177 1.00 20.42 H new ATOM 0 HB2 ALA A 118 31.385 -4.401 -4.557 1.00 20.42 H new ATOM 0 HB3 ALA A 118 31.799 -4.811 -2.876 1.00 20.42 H new ATOM 1940 N ILE A 119 32.304 -8.697 -3.854 1.00 19.90 N ATOM 1941 CA ILE A 119 33.058 -9.740 -3.189 1.00 20.25 C ATOM 1942 C ILE A 119 34.528 -9.359 -3.213 1.00 21.12 C ATOM 1943 O ILE A 119 35.237 -9.456 -2.211 1.00 21.13 O ATOM 1944 CB ILE A 119 32.873 -11.115 -3.865 1.00 20.40 C ATOM 1945 CG1 ILE A 119 31.477 -11.243 -4.491 1.00 20.16 C ATOM 1946 CG2 ILE A 119 33.080 -12.212 -2.835 1.00 20.03 C ATOM 1947 CD1 ILE A 119 31.252 -12.551 -5.220 1.00 20.59 C ATOM 0 H ILE A 119 31.933 -8.959 -4.767 1.00 19.90 H new ATOM 0 HA ILE A 119 32.691 -9.829 -2.167 1.00 20.25 H new ATOM 0 HB ILE A 119 33.609 -11.211 -4.663 1.00 20.40 H new ATOM 0 HG12 ILE A 119 30.727 -11.141 -3.707 1.00 20.16 H new ATOM 0 HG13 ILE A 119 31.324 -10.419 -5.188 1.00 20.16 H new ATOM 0 HG21 ILE A 119 32.950 -13.185 -3.309 1.00 20.03 H new ATOM 0 HG22 ILE A 119 34.087 -12.140 -2.424 1.00 20.03 H new ATOM 0 HG23 ILE A 119 32.352 -12.099 -2.032 1.00 20.03 H new ATOM 0 HD11 ILE A 119 30.244 -12.568 -5.635 1.00 20.59 H new ATOM 0 HD12 ILE A 119 31.978 -12.647 -6.027 1.00 20.59 H new ATOM 0 HD13 ILE A 119 31.371 -13.381 -4.524 1.00 20.59 H new ATOM 1959 N LEU A 120 34.966 -8.908 -4.378 1.00 21.92 N ATOM 1960 CA LEU A 120 36.269 -8.286 -4.534 1.00 22.85 C ATOM 1961 C LEU A 120 36.078 -6.790 -4.740 1.00 23.12 C ATOM 1962 O LEU A 120 34.946 -6.327 -4.895 1.00 23.32 O ATOM 1963 CB LEU A 120 37.034 -8.888 -5.721 1.00 23.66 C ATOM 1964 CG LEU A 120 37.824 -10.172 -5.432 1.00 23.95 C ATOM 1965 CD1 LEU A 120 38.881 -9.921 -4.366 1.00 23.98 C ATOM 1966 CD2 LEU A 120 36.901 -11.311 -5.017 1.00 23.52 C ATOM 0 H LEU A 120 34.427 -8.964 -5.242 1.00 21.92 H new ATOM 0 HA LEU A 120 36.858 -8.468 -3.635 1.00 22.85 H new ATOM 0 HB2 LEU A 120 36.321 -9.096 -6.519 1.00 23.66 H new ATOM 0 HB3 LEU A 120 37.727 -8.137 -6.100 1.00 23.66 H new ATOM 0 HG LEU A 120 38.324 -10.470 -6.353 1.00 23.95 H new ATOM 0 HD11 LEU A 120 39.431 -10.843 -4.175 1.00 23.98 H new ATOM 0 HD12 LEU A 120 39.571 -9.152 -4.712 1.00 23.98 H new ATOM 0 HD13 LEU A 120 38.399 -9.589 -3.447 1.00 23.98 H new ATOM 0 HD21 LEU A 120 37.492 -12.205 -4.820 1.00 23.52 H new ATOM 0 HD22 LEU A 120 36.358 -11.029 -4.115 1.00 23.52 H new ATOM 0 HD23 LEU A 120 36.191 -11.515 -5.819 1.00 23.52 H new ATOM 1978 N ASN A 121 37.171 -6.039 -4.742 1.00 23.21 N ATOM 1979 CA ASN A 121 37.103 -4.589 -4.927 1.00 23.56 C ATOM 1980 C ASN A 121 36.437 -4.222 -6.251 1.00 24.31 C ATOM 1981 O ASN A 121 36.667 -4.867 -7.277 1.00 24.76 O ATOM 1982 CB ASN A 121 38.502 -3.953 -4.834 1.00 23.18 C ATOM 1983 CG ASN A 121 39.584 -4.678 -5.636 1.00 23.09 C ATOM 1984 OD1 ASN A 121 40.753 -4.647 -5.265 1.00 23.47 O ATOM 1985 ND2 ASN A 121 39.215 -5.335 -6.725 1.00 22.69 N ATOM 0 H ASN A 121 38.115 -6.405 -4.618 1.00 23.21 H new ATOM 0 HA ASN A 121 36.488 -4.189 -4.121 1.00 23.56 H new ATOM 0 HB2 ASN A 121 38.442 -2.921 -5.180 1.00 23.18 H new ATOM 0 HB3 ASN A 121 38.804 -3.921 -3.787 1.00 23.18 H new ATOM 0 HD21 ASN A 121 39.911 -5.833 -7.280 1.00 22.69 H new ATOM 0 HD22 ASN A 121 38.235 -5.343 -7.009 1.00 22.69 H new