USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1120 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 121 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.014) USER MOD Set 1.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 108 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 112 MET CE :methyl -173:sc= -0.664 (180deg=-0.797) USER MOD Set 3.1: A 54 LYS NZ :NH3+ -130:sc= 0.0537 (180deg=-0.308) USER MOD Set 3.2: A 58 ASN : amide:sc= -4.73! C(o=-9.3!,f=-9.1!) USER MOD Set 3.3: A 63 ASN : amide:sc= -4.66! K(o=-9.3!,f=-6) USER MOD Set 4.1: A 48 SER OG : rot 159:sc= 1.3 USER MOD Set 4.2: A 66 HIS : no HE2:sc= -2.25! C(o=-0.95!,f=-11!) USER MOD Set 5.1: A 1 GLN : amide:sc= -4.25! K(o=-8.1!,f=-2.4) USER MOD Set 5.2: A 3 GLN : amide:sc= -3.81! K(o=-8.1!,f=-2.4) USER MOD Single : A 1 GLN N :NH3+ -112:sc= 0.14 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -130:sc= -0.504 (180deg=-1.43!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.07) USER MOD Single : A 13 TYR OH : rot -123:sc= 0.343 USER MOD Single : A 17 ASN : amide:sc= 0.548 K(o=0.55,f=-0.84) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.026 (180deg=-0.177) USER MOD Single : A 32 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.2) USER MOD Single : A 37 THR OG1 : rot -51:sc= -0.511! USER MOD Single : A 39 CYS SG : rot -80:sc= -8.6! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 142:sc= -0.0711 (180deg=-0.455) USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 1.25 (180deg=0.641) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.283) USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.863) USER MOD Single : A 57 GLN : amide:sc= -3.8! C(o=-3.8!,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.85) USER MOD Single : A 72 HIS : no HE2:sc= -0.926 K(o=-0.93,f=-6.3!) USER MOD Single : A 76 THR OG1 : rot 83:sc= 0.977 USER MOD Single : A 81 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.48) USER MOD Single : A 82 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 2.24 (180deg=2.06) USER MOD Single : A 89 LYS NZ :NH3+ 148:sc= 2.06 (180deg=1.1) USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= 0.863 (180deg=0.708) USER MOD Single : A 97 LYS NZ :NH3+ 129:sc= 0.108 (180deg=-0.106) USER MOD Single : A 110 LYS NZ :NH3+ -153:sc= 2.43 (180deg=2.14) USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= 1.87 (180deg=1.09) USER MOD Single : A 113 LYS NZ :NH3+ 150:sc= -0.23 (180deg=-0.919) USER MOD Single : A 115 MET CE :methyl 141:sc= -0.491 (180deg=-2.26) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.788 15.537 -11.306 1.00 0.76 N ATOM 2 CA GLN A 1 -9.904 15.022 -10.235 1.00 0.55 C ATOM 3 C GLN A 1 -8.751 14.252 -10.854 1.00 0.49 C ATOM 4 O GLN A 1 -8.782 13.932 -12.039 1.00 0.60 O ATOM 5 CB GLN A 1 -10.687 14.104 -9.287 1.00 0.52 C ATOM 6 CG GLN A 1 -10.866 12.689 -9.802 1.00 0.69 C ATOM 7 CD GLN A 1 -12.029 11.963 -9.154 1.00 0.71 C ATOM 8 OE1 GLN A 1 -13.160 12.031 -9.632 1.00 1.40 O ATOM 9 NE2 GLN A 1 -11.759 11.267 -8.066 1.00 0.88 N ATOM 0 H1 GLN A 1 -10.723 16.574 -11.341 1.00 0.76 H new ATOM 0 H2 GLN A 1 -10.492 15.140 -12.221 1.00 0.76 H new ATOM 0 H3 GLN A 1 -11.770 15.258 -11.109 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.517 15.866 -9.664 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.172 14.067 -8.327 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.669 14.540 -9.106 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.019 12.718 -10.881 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -9.950 12.126 -9.625 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -10.806 11.237 -7.703 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -12.503 10.759 -7.588 1.00 0.88 H new ATOM 20 N LEU A 2 -7.736 13.959 -10.064 1.00 0.39 N ATOM 21 CA LEU A 2 -6.656 13.116 -10.528 1.00 0.36 C ATOM 22 C LEU A 2 -6.518 11.930 -9.587 1.00 0.26 C ATOM 23 O LEU A 2 -6.649 12.075 -8.368 1.00 0.27 O ATOM 24 CB LEU A 2 -5.345 13.918 -10.654 1.00 0.48 C ATOM 25 CG LEU A 2 -4.633 14.295 -9.355 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.692 13.186 -8.901 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.867 15.591 -9.543 1.00 1.32 C ATOM 0 H LEU A 2 -7.638 14.291 -9.104 1.00 0.39 H new ATOM 0 HA LEU A 2 -6.882 12.741 -11.526 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -4.652 13.339 -11.264 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -5.561 14.836 -11.200 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.387 14.433 -8.580 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.200 13.483 -7.975 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.261 12.272 -8.733 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -2.941 13.009 -9.670 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -3.362 15.853 -8.613 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.128 15.465 -10.334 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.560 16.387 -9.817 1.00 1.32 H new ATOM 39 N GLN A 3 -6.319 10.750 -10.150 1.00 0.24 N ATOM 40 CA GLN A 3 -6.153 9.554 -9.349 1.00 0.22 C ATOM 41 C GLN A 3 -4.799 8.924 -9.618 1.00 0.22 C ATOM 42 O GLN A 3 -4.410 8.748 -10.775 1.00 0.25 O ATOM 43 CB GLN A 3 -7.231 8.515 -9.672 1.00 0.24 C ATOM 44 CG GLN A 3 -8.623 9.071 -9.928 1.00 0.26 C ATOM 45 CD GLN A 3 -9.697 8.016 -9.719 1.00 0.26 C ATOM 46 OE1 GLN A 3 -10.846 8.330 -9.416 1.00 0.33 O ATOM 47 NE2 GLN A 3 -9.316 6.754 -9.847 1.00 0.25 N ATOM 0 H GLN A 3 -6.269 10.597 -11.157 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.235 9.852 -8.304 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -6.916 7.953 -10.551 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.288 7.808 -8.845 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -8.806 9.914 -9.262 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.681 9.452 -10.948 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -8.352 6.535 -10.100 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -9.986 6.001 -9.693 1.00 0.25 H new ATOM 56 N GLU A 4 -4.094 8.562 -8.562 1.00 0.22 N ATOM 57 CA GLU A 4 -2.852 7.823 -8.708 1.00 0.25 C ATOM 58 C GLU A 4 -2.993 6.488 -7.995 1.00 0.23 C ATOM 59 O GLU A 4 -3.361 6.442 -6.820 1.00 0.27 O ATOM 60 CB GLU A 4 -1.669 8.618 -8.152 1.00 0.30 C ATOM 61 CG GLU A 4 -1.783 10.113 -8.408 1.00 0.28 C ATOM 62 CD GLU A 4 -0.441 10.826 -8.446 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.178 10.875 -9.535 1.00 0.88 O ATOM 64 OE2 GLU A 4 -0.004 11.355 -7.407 1.00 0.75 O ATOM 0 H GLU A 4 -4.358 8.766 -7.598 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.654 7.653 -9.766 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.594 8.444 -7.079 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.747 8.248 -8.600 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.297 10.273 -9.356 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.401 10.561 -7.630 1.00 0.28 H new ATOM 71 N LYS A 5 -2.727 5.405 -8.705 1.00 0.24 N ATOM 72 CA LYS A 5 -2.973 4.078 -8.170 1.00 0.25 C ATOM 73 C LYS A 5 -1.662 3.372 -7.939 1.00 0.25 C ATOM 74 O LYS A 5 -0.887 3.154 -8.870 1.00 0.30 O ATOM 75 CB LYS A 5 -3.824 3.203 -9.101 1.00 0.30 C ATOM 76 CG LYS A 5 -4.875 3.938 -9.932 1.00 0.40 C ATOM 77 CD LYS A 5 -4.252 4.735 -11.073 1.00 0.66 C ATOM 78 CE LYS A 5 -5.230 4.998 -12.207 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.350 5.874 -11.785 1.00 1.43 N ATOM 0 H LYS A 5 -2.342 5.418 -9.650 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.523 4.219 -7.239 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.156 2.674 -9.781 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.329 2.448 -8.498 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -5.583 3.217 -10.339 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.440 4.611 -9.287 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -3.884 5.686 -10.688 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -3.389 4.193 -11.461 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -4.702 5.461 -13.041 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -5.628 4.050 -12.569 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -7.253 5.441 -12.064 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -6.327 5.993 -10.752 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -6.255 6.803 -12.243 1.00 1.43 H new ATOM 93 N LEU A 6 -1.426 3.005 -6.708 1.00 0.23 N ATOM 94 CA LEU A 6 -0.221 2.308 -6.346 1.00 0.25 C ATOM 95 C LEU A 6 -0.585 0.872 -6.012 1.00 0.24 C ATOM 96 O LEU A 6 -1.160 0.585 -4.959 1.00 0.24 O ATOM 97 CB LEU A 6 0.430 3.037 -5.179 1.00 0.26 C ATOM 98 CG LEU A 6 0.426 4.563 -5.342 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.868 5.242 -4.064 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.320 4.984 -6.500 1.00 0.30 C ATOM 0 H LEU A 6 -2.062 3.180 -5.930 1.00 0.23 H new ATOM 0 HA LEU A 6 0.501 2.288 -7.162 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.092 2.775 -4.259 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.458 2.692 -5.072 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.595 4.875 -5.562 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.857 6.323 -4.204 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.188 4.974 -3.256 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.878 4.919 -3.811 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.302 6.069 -6.597 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.341 4.653 -6.310 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.958 4.531 -7.423 1.00 0.30 H new ATOM 112 N TYR A 7 -0.308 -0.013 -6.955 1.00 0.27 N ATOM 113 CA TYR A 7 -0.793 -1.382 -6.902 1.00 0.27 C ATOM 114 C TYR A 7 -0.010 -2.262 -5.947 1.00 0.29 C ATOM 115 O TYR A 7 1.214 -2.187 -5.864 1.00 0.38 O ATOM 116 CB TYR A 7 -0.758 -2.012 -8.293 1.00 0.32 C ATOM 117 CG TYR A 7 -1.967 -1.696 -9.134 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.112 -0.443 -9.710 1.00 0.47 C ATOM 119 CD2 TYR A 7 -2.959 -2.642 -9.354 1.00 0.36 C ATOM 120 CE1 TYR A 7 -3.210 -0.139 -10.482 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.061 -2.345 -10.127 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.201 -1.132 -10.676 1.00 0.56 C ATOM 123 OH TYR A 7 -5.278 -0.803 -11.461 1.00 0.69 O ATOM 0 H TYR A 7 0.258 0.197 -7.777 1.00 0.27 H new ATOM 0 HA TYR A 7 -1.816 -1.322 -6.530 1.00 0.27 H new ATOM 0 HB2 TYR A 7 0.136 -1.669 -8.815 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.671 -3.094 -8.190 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -1.351 0.306 -9.550 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -2.866 -3.624 -8.914 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -3.314 0.838 -10.931 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -4.818 -3.097 -10.291 1.00 0.46 H new ATOM 0 HH TYR A 7 -5.887 -1.569 -11.518 1.00 0.69 H new ATOM 133 N VAL A 8 -0.746 -3.097 -5.232 1.00 0.24 N ATOM 134 CA VAL A 8 -0.168 -4.196 -4.493 1.00 0.26 C ATOM 135 C VAL A 8 -0.925 -5.458 -4.861 1.00 0.26 C ATOM 136 O VAL A 8 -2.079 -5.629 -4.491 1.00 0.26 O ATOM 137 CB VAL A 8 -0.240 -3.966 -2.967 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.841 -3.006 -2.520 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.613 -3.441 -2.563 1.00 1.27 C ATOM 0 H VAL A 8 -1.760 -3.028 -5.151 1.00 0.24 H new ATOM 0 HA VAL A 8 0.887 -4.282 -4.754 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.079 -4.924 -2.473 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.773 -2.858 -1.442 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.819 -3.418 -2.768 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.711 -2.050 -3.027 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.641 -3.286 -1.484 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.805 -2.495 -3.070 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.377 -4.165 -2.845 1.00 1.27 H new ATOM 149 N PRO A 9 -0.290 -6.379 -5.574 1.00 0.32 N ATOM 150 CA PRO A 9 -0.998 -7.520 -6.124 1.00 0.37 C ATOM 151 C PRO A 9 -1.406 -8.497 -5.034 1.00 0.34 C ATOM 152 O PRO A 9 -0.626 -9.351 -4.620 1.00 0.35 O ATOM 153 CB PRO A 9 0.013 -8.133 -7.090 1.00 0.44 C ATOM 154 CG PRO A 9 1.340 -7.751 -6.536 1.00 0.43 C ATOM 155 CD PRO A 9 1.149 -6.405 -5.880 1.00 0.39 C ATOM 0 HA PRO A 9 -1.932 -7.247 -6.615 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.097 -9.216 -7.145 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.120 -7.748 -8.101 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.688 -8.490 -5.815 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.091 -7.697 -7.325 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.754 -6.307 -4.978 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.434 -5.589 -6.545 1.00 0.39 H new ATOM 163 N VAL A 10 -2.625 -8.340 -4.548 1.00 0.34 N ATOM 164 CA VAL A 10 -3.137 -9.185 -3.479 1.00 0.36 C ATOM 165 C VAL A 10 -3.297 -10.616 -3.982 1.00 0.43 C ATOM 166 O VAL A 10 -3.347 -11.571 -3.207 1.00 0.47 O ATOM 167 CB VAL A 10 -4.483 -8.663 -2.940 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.602 -8.857 -3.952 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.827 -9.313 -1.606 1.00 0.52 C ATOM 0 H VAL A 10 -3.282 -7.633 -4.877 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.418 -9.163 -2.660 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.377 -7.591 -2.773 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.536 -8.478 -3.538 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.363 -8.314 -4.867 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.709 -9.918 -4.177 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.781 -8.927 -1.248 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.898 -10.393 -1.735 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -4.048 -9.085 -0.879 1.00 0.52 H new ATOM 179 N LYS A 11 -3.380 -10.741 -5.299 1.00 0.49 N ATOM 180 CA LYS A 11 -3.390 -12.042 -5.956 1.00 0.58 C ATOM 181 C LYS A 11 -2.047 -12.735 -5.745 1.00 0.53 C ATOM 182 O LYS A 11 -1.961 -13.965 -5.707 1.00 0.60 O ATOM 183 CB LYS A 11 -3.678 -11.884 -7.453 1.00 0.72 C ATOM 184 CG LYS A 11 -2.748 -10.909 -8.162 1.00 1.27 C ATOM 185 CD LYS A 11 -3.090 -10.785 -9.637 1.00 1.76 C ATOM 186 CE LYS A 11 -2.681 -12.022 -10.426 1.00 2.24 C ATOM 187 NZ LYS A 11 -1.200 -12.135 -10.567 1.00 2.93 N ATOM 0 H LYS A 11 -3.442 -9.950 -5.939 1.00 0.49 H new ATOM 0 HA LYS A 11 -4.179 -12.653 -5.518 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.599 -12.860 -7.933 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -4.707 -11.548 -7.581 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -2.816 -9.930 -7.688 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -1.717 -11.244 -8.054 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -4.162 -10.623 -9.748 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -2.591 -9.909 -10.052 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -3.066 -12.912 -9.929 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -3.137 -11.987 -11.415 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -0.973 -12.865 -11.272 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -0.810 -11.222 -10.876 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -0.783 -12.397 -9.651 1.00 2.93 H new ATOM 201 N GLU A 12 -1.005 -11.925 -5.596 1.00 0.45 N ATOM 202 CA GLU A 12 0.337 -12.421 -5.347 1.00 0.44 C ATOM 203 C GLU A 12 0.507 -12.784 -3.881 1.00 0.39 C ATOM 204 O GLU A 12 1.121 -13.799 -3.548 1.00 0.43 O ATOM 205 CB GLU A 12 1.369 -11.372 -5.740 1.00 0.46 C ATOM 206 CG GLU A 12 1.404 -11.096 -7.235 1.00 0.60 C ATOM 207 CD GLU A 12 1.561 -12.353 -8.059 1.00 0.77 C ATOM 208 OE1 GLU A 12 2.661 -12.944 -8.047 1.00 0.97 O ATOM 209 OE2 GLU A 12 0.590 -12.751 -8.731 1.00 0.96 O ATOM 0 H GLU A 12 -1.070 -10.908 -5.645 1.00 0.45 H new ATOM 0 HA GLU A 12 0.489 -13.315 -5.952 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.154 -10.444 -5.211 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.355 -11.703 -5.415 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.485 -10.588 -7.528 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.228 -10.417 -7.455 1.00 0.60 H new ATOM 216 N TYR A 13 -0.062 -11.958 -3.013 1.00 0.34 N ATOM 217 CA TYR A 13 0.067 -12.145 -1.577 1.00 0.35 C ATOM 218 C TYR A 13 -1.307 -12.341 -0.941 1.00 0.39 C ATOM 219 O TYR A 13 -1.865 -11.412 -0.362 1.00 0.40 O ATOM 220 CB TYR A 13 0.748 -10.930 -0.934 1.00 0.34 C ATOM 221 CG TYR A 13 1.976 -10.445 -1.669 1.00 0.35 C ATOM 222 CD1 TYR A 13 1.876 -9.569 -2.741 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.240 -10.870 -1.286 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.004 -9.131 -3.408 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.369 -10.437 -1.942 1.00 0.48 C ATOM 226 CZ TYR A 13 4.218 -9.536 -3.035 1.00 0.46 C ATOM 227 OH TYR A 13 5.374 -9.127 -3.661 1.00 0.53 O ATOM 0 H TYR A 13 -0.620 -11.148 -3.282 1.00 0.34 H new ATOM 0 HA TYR A 13 0.677 -13.032 -1.407 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.028 -10.114 -0.875 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.027 -11.184 0.089 1.00 0.34 H new ATOM 0 HD1 TYR A 13 0.903 -9.225 -3.058 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.340 -11.554 -0.456 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.901 -8.452 -4.242 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.348 -10.773 -1.635 1.00 0.48 H new ATOM 0 HH TYR A 13 5.869 -9.911 -3.978 1.00 0.53 H new ATOM 237 N PRO A 14 -1.881 -13.547 -1.055 1.00 0.47 N ATOM 238 CA PRO A 14 -3.193 -13.849 -0.482 1.00 0.55 C ATOM 239 C PRO A 14 -3.140 -13.886 1.037 1.00 0.59 C ATOM 240 O PRO A 14 -4.163 -13.785 1.714 1.00 0.68 O ATOM 241 CB PRO A 14 -3.537 -15.240 -1.041 1.00 0.64 C ATOM 242 CG PRO A 14 -2.533 -15.500 -2.116 1.00 0.75 C ATOM 243 CD PRO A 14 -1.313 -14.713 -1.740 1.00 0.52 C ATOM 0 HA PRO A 14 -3.935 -13.092 -0.738 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -3.483 -16.000 -0.262 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -4.552 -15.263 -1.438 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -2.305 -16.563 -2.188 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.914 -15.189 -3.089 1.00 0.75 H new ATOM 0 HD2 PRO A 14 -0.649 -15.282 -1.089 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.731 -14.425 -2.615 1.00 0.52 H new ATOM 251 N ASP A 15 -1.930 -14.020 1.565 1.00 0.57 N ATOM 252 CA ASP A 15 -1.737 -14.142 2.997 1.00 0.67 C ATOM 253 C ASP A 15 -1.258 -12.821 3.597 1.00 0.62 C ATOM 254 O ASP A 15 -1.251 -12.648 4.818 1.00 0.76 O ATOM 255 CB ASP A 15 -0.735 -15.258 3.294 1.00 0.78 C ATOM 256 CG ASP A 15 -0.770 -15.705 4.739 1.00 1.64 C ATOM 257 OD1 ASP A 15 -1.581 -16.594 5.075 1.00 2.43 O ATOM 258 OD2 ASP A 15 0.003 -15.159 5.550 1.00 2.15 O ATOM 0 H ASP A 15 -1.069 -14.047 1.019 1.00 0.57 H new ATOM 0 HA ASP A 15 -2.694 -14.392 3.456 1.00 0.67 H new ATOM 0 HB2 ASP A 15 -0.946 -16.111 2.649 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.270 -14.913 3.049 1.00 0.78 H new ATOM 263 N PHE A 16 -0.860 -11.879 2.746 1.00 0.48 N ATOM 264 CA PHE A 16 -0.472 -10.561 3.227 1.00 0.43 C ATOM 265 C PHE A 16 -1.621 -9.593 3.032 1.00 0.37 C ATOM 266 O PHE A 16 -1.947 -9.198 1.915 1.00 0.36 O ATOM 267 CB PHE A 16 0.784 -10.035 2.531 1.00 0.41 C ATOM 268 CG PHE A 16 1.423 -8.912 3.301 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.261 -9.190 4.368 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.174 -7.585 2.980 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.838 -8.172 5.099 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.751 -6.564 3.708 1.00 0.36 C ATOM 273 CZ PHE A 16 2.583 -6.859 4.769 1.00 0.49 C ATOM 0 H PHE A 16 -0.799 -12.002 1.735 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.236 -10.651 4.287 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.501 -10.848 2.412 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.526 -9.688 1.530 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.466 -10.217 4.631 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.522 -7.349 2.152 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.489 -8.404 5.929 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.552 -5.535 3.448 1.00 0.36 H new ATOM 0 HZ PHE A 16 3.034 -6.061 5.340 1.00 0.49 H new ATOM 283 N ASN A 17 -2.235 -9.222 4.135 1.00 0.37 N ATOM 284 CA ASN A 17 -3.365 -8.319 4.103 1.00 0.35 C ATOM 285 C ASN A 17 -2.915 -6.874 3.988 1.00 0.30 C ATOM 286 O ASN A 17 -2.567 -6.255 4.976 1.00 0.30 O ATOM 287 CB ASN A 17 -4.251 -8.515 5.346 1.00 0.45 C ATOM 288 CG ASN A 17 -3.482 -8.715 6.658 1.00 0.74 C ATOM 289 OD1 ASN A 17 -3.883 -9.527 7.488 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.419 -7.952 6.890 1.00 0.71 N ATOM 0 H ASN A 17 -1.969 -9.534 5.069 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.955 -8.555 3.217 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.902 -7.647 5.451 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.895 -9.379 5.183 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -1.916 -8.033 7.774 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.106 -7.285 6.184 1.00 0.71 H new ATOM 297 N PHE A 18 -2.898 -6.339 2.779 1.00 0.28 N ATOM 298 CA PHE A 18 -2.546 -4.940 2.597 1.00 0.26 C ATOM 299 C PHE A 18 -3.576 -4.040 3.265 1.00 0.27 C ATOM 300 O PHE A 18 -3.240 -2.991 3.789 1.00 0.27 O ATOM 301 CB PHE A 18 -2.385 -4.599 1.121 1.00 0.24 C ATOM 302 CG PHE A 18 -1.248 -5.342 0.492 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.076 -5.091 0.839 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.516 -6.286 -0.474 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.106 -5.782 0.222 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.502 -6.975 -1.088 1.00 0.25 C ATOM 307 CZ PHE A 18 0.900 -6.708 -0.600 1.00 0.25 C ATOM 0 H PHE A 18 -3.120 -6.843 1.920 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.583 -4.766 3.077 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.308 -4.835 0.592 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.221 -3.527 1.013 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.302 -4.353 1.594 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.540 -6.487 -0.752 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.125 -5.514 0.457 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.698 -7.677 -1.885 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.723 -7.311 -0.956 1.00 0.25 H new ATOM 317 N VAL A 19 -4.825 -4.465 3.271 1.00 0.31 N ATOM 318 CA VAL A 19 -5.855 -3.784 4.039 1.00 0.32 C ATOM 319 C VAL A 19 -5.560 -3.904 5.529 1.00 0.29 C ATOM 320 O VAL A 19 -5.511 -2.907 6.237 1.00 0.27 O ATOM 321 CB VAL A 19 -7.251 -4.354 3.727 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.306 -3.747 4.635 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.597 -4.116 2.266 1.00 1.13 C ATOM 0 H VAL A 19 -5.153 -5.280 2.753 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.850 -2.732 3.755 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.233 -5.428 3.913 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.281 -4.168 4.392 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -8.064 -3.970 5.674 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.331 -2.667 4.492 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.586 -4.523 2.055 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.594 -3.045 2.061 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.860 -4.609 1.632 1.00 1.13 H new ATOM 333 N GLY A 20 -5.310 -5.121 5.987 1.00 0.33 N ATOM 334 CA GLY A 20 -4.966 -5.339 7.383 1.00 0.35 C ATOM 335 C GLY A 20 -3.632 -4.717 7.760 1.00 0.32 C ATOM 336 O GLY A 20 -3.286 -4.630 8.933 1.00 0.38 O ATOM 0 H GLY A 20 -5.338 -5.967 5.417 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.749 -4.921 8.016 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.932 -6.410 7.582 1.00 0.35 H new ATOM 340 N ARG A 21 -2.883 -4.309 6.753 1.00 0.29 N ATOM 341 CA ARG A 21 -1.566 -3.719 6.938 1.00 0.32 C ATOM 342 C ARG A 21 -1.628 -2.195 6.858 1.00 0.31 C ATOM 343 O ARG A 21 -0.995 -1.499 7.656 1.00 0.39 O ATOM 344 CB ARG A 21 -0.616 -4.311 5.879 1.00 0.33 C ATOM 345 CG ARG A 21 0.482 -3.392 5.365 1.00 0.56 C ATOM 346 CD ARG A 21 1.576 -3.151 6.390 1.00 0.52 C ATOM 347 NE ARG A 21 1.623 -4.187 7.422 1.00 1.51 N ATOM 348 CZ ARG A 21 2.700 -4.917 7.690 1.00 2.26 C ATOM 349 NH1 ARG A 21 3.784 -4.799 6.944 1.00 2.34 N ATOM 350 NH2 ARG A 21 2.680 -5.782 8.691 1.00 3.20 N ATOM 0 H ARG A 21 -3.171 -4.377 5.777 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.188 -3.958 7.932 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.148 -5.201 6.300 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.214 -4.638 5.028 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.921 -3.826 4.467 1.00 0.56 H new ATOM 0 HG3 ARG A 21 0.044 -2.436 5.076 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.540 -3.106 5.883 1.00 0.52 H new ATOM 0 HD3 ARG A 21 1.418 -2.181 6.862 1.00 0.52 H new ATOM 0 HE ARG A 21 0.779 -4.359 7.968 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.795 -4.146 6.160 1.00 2.34 H new ATOM 0 HH12 ARG A 21 4.610 -5.361 7.152 1.00 2.34 H new ATOM 0 HH21 ARG A 21 1.838 -5.888 9.257 1.00 3.20 H new ATOM 0 HH22 ARG A 21 3.507 -6.343 8.897 1.00 3.20 H new ATOM 364 N ILE A 22 -2.409 -1.688 5.919 1.00 0.27 N ATOM 365 CA ILE A 22 -2.490 -0.257 5.679 1.00 0.31 C ATOM 366 C ILE A 22 -3.597 0.352 6.529 1.00 0.28 C ATOM 367 O ILE A 22 -3.443 1.414 7.127 1.00 0.32 O ATOM 368 CB ILE A 22 -2.761 0.030 4.183 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.607 -0.480 3.317 1.00 0.51 C ATOM 370 CG2 ILE A 22 -2.999 1.511 3.933 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.256 0.073 3.712 1.00 0.99 C ATOM 0 H ILE A 22 -3.000 -2.251 5.307 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.536 0.193 5.954 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.669 -0.505 3.905 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.575 -1.568 3.375 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.805 -0.222 2.277 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.186 1.675 2.872 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -3.863 1.843 4.509 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.119 2.078 4.238 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.511 -0.334 3.053 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.268 1.160 3.626 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.035 -0.207 4.742 1.00 0.99 H new ATOM 383 N LEU A 23 -4.707 -0.360 6.585 1.00 0.30 N ATOM 384 CA LEU A 23 -5.903 0.097 7.271 1.00 0.35 C ATOM 385 C LEU A 23 -5.986 -0.543 8.649 1.00 0.37 C ATOM 386 O LEU A 23 -6.455 0.073 9.606 1.00 0.47 O ATOM 387 CB LEU A 23 -7.160 -0.295 6.479 1.00 0.59 C ATOM 388 CG LEU A 23 -7.367 0.356 5.102 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.192 0.115 4.167 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.615 -0.215 4.473 1.00 1.15 C ATOM 0 H LEU A 23 -4.806 -1.279 6.153 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.849 1.182 7.361 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.146 -1.376 6.340 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -8.030 -0.064 7.094 1.00 0.59 H new ATOM 0 HG LEU A 23 -7.457 1.432 5.254 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -6.386 0.594 3.208 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -5.286 0.534 4.605 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.060 -0.957 4.017 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.771 0.241 3.495 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -8.504 -1.293 4.357 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.473 -0.005 5.112 1.00 1.15 H new ATOM 402 N GLY A 24 -5.525 -1.791 8.718 1.00 0.35 N ATOM 403 CA GLY A 24 -5.650 -2.601 9.917 1.00 0.45 C ATOM 404 C GLY A 24 -5.264 -1.879 11.201 1.00 0.56 C ATOM 405 O GLY A 24 -6.139 -1.457 11.960 1.00 0.70 O ATOM 0 H GLY A 24 -5.057 -2.263 7.944 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -6.680 -2.946 10.003 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.025 -3.488 9.810 1.00 0.45 H new ATOM 409 N PRO A 25 -3.964 -1.733 11.488 1.00 0.59 N ATOM 410 CA PRO A 25 -3.505 -1.067 12.701 1.00 0.74 C ATOM 411 C PRO A 25 -3.325 0.442 12.528 1.00 0.75 C ATOM 412 O PRO A 25 -3.472 1.207 13.483 1.00 0.90 O ATOM 413 CB PRO A 25 -2.161 -1.745 12.956 1.00 0.85 C ATOM 414 CG PRO A 25 -1.641 -2.101 11.599 1.00 0.77 C ATOM 415 CD PRO A 25 -2.835 -2.232 10.682 1.00 0.57 C ATOM 0 HA PRO A 25 -4.222 -1.157 13.517 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -1.476 -1.078 13.478 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -2.279 -2.632 13.578 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -0.959 -1.333 11.235 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.080 -3.035 11.635 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -2.705 -1.646 9.772 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -2.991 -3.266 10.375 1.00 0.57 H new ATOM 423 N ARG A 26 -3.002 0.866 11.311 1.00 0.64 N ATOM 424 CA ARG A 26 -2.680 2.262 11.052 1.00 0.71 C ATOM 425 C ARG A 26 -3.618 2.896 10.028 1.00 0.59 C ATOM 426 O ARG A 26 -3.205 3.784 9.287 1.00 0.63 O ATOM 427 CB ARG A 26 -1.231 2.387 10.577 1.00 0.88 C ATOM 428 CG ARG A 26 -0.211 2.037 11.652 1.00 1.34 C ATOM 429 CD ARG A 26 1.210 2.241 11.159 1.00 1.33 C ATOM 430 NE ARG A 26 1.445 3.617 10.724 1.00 1.92 N ATOM 431 CZ ARG A 26 2.612 4.058 10.258 1.00 2.49 C ATOM 432 NH1 ARG A 26 3.664 3.250 10.234 1.00 2.67 N ATOM 433 NH2 ARG A 26 2.729 5.311 9.837 1.00 3.43 N ATOM 0 H ARG A 26 -2.957 0.263 10.490 1.00 0.64 H new ATOM 0 HA ARG A 26 -2.810 2.801 11.990 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.080 1.734 9.717 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.054 3.408 10.237 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -0.383 2.655 12.533 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -0.345 1.000 11.958 1.00 1.34 H new ATOM 0 HD2 ARG A 26 1.910 1.988 11.955 1.00 1.33 H new ATOM 0 HD3 ARG A 26 1.408 1.560 10.331 1.00 1.33 H new ATOM 0 HE ARG A 26 0.670 4.278 10.781 1.00 1.92 H new ATOM 0 HH11 ARG A 26 3.579 2.292 10.572 1.00 2.67 H new ATOM 0 HH12 ARG A 26 4.558 3.587 9.877 1.00 2.67 H new ATOM 0 HH21 ARG A 26 1.925 5.937 9.870 1.00 3.43 H new ATOM 0 HH22 ARG A 26 3.623 5.648 9.480 1.00 3.43 H new ATOM 447 N GLY A 27 -4.882 2.471 10.010 1.00 0.54 N ATOM 448 CA GLY A 27 -5.850 3.025 9.066 1.00 0.56 C ATOM 449 C GLY A 27 -5.982 4.534 9.170 1.00 0.58 C ATOM 450 O GLY A 27 -6.435 5.201 8.231 1.00 0.56 O ATOM 0 H GLY A 27 -5.255 1.753 10.631 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -5.552 2.761 8.051 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -6.824 2.567 9.242 1.00 0.56 H new ATOM 454 N LEU A 28 -5.570 5.079 10.309 1.00 0.64 N ATOM 455 CA LEU A 28 -5.574 6.515 10.513 1.00 0.68 C ATOM 456 C LEU A 28 -4.725 7.221 9.463 1.00 0.58 C ATOM 457 O LEU A 28 -4.979 8.377 9.150 1.00 0.55 O ATOM 458 CB LEU A 28 -5.067 6.866 11.912 1.00 0.82 C ATOM 459 CG LEU A 28 -5.981 6.437 13.062 1.00 1.46 C ATOM 460 CD1 LEU A 28 -5.398 6.875 14.397 1.00 1.96 C ATOM 461 CD2 LEU A 28 -7.380 7.008 12.872 1.00 2.25 C ATOM 0 H LEU A 28 -5.228 4.542 11.106 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.604 6.858 10.414 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.090 6.404 12.054 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -4.921 7.945 11.968 1.00 0.82 H new ATOM 0 HG LEU A 28 -6.052 5.349 13.060 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -6.061 6.562 15.204 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -4.418 6.417 14.534 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -5.297 7.960 14.411 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -8.017 6.693 13.699 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -7.329 8.097 12.848 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -7.797 6.644 11.933 1.00 2.25 H new ATOM 473 N THR A 29 -3.736 6.526 8.902 1.00 0.56 N ATOM 474 CA THR A 29 -2.883 7.125 7.885 1.00 0.52 C ATOM 475 C THR A 29 -3.710 7.503 6.656 1.00 0.42 C ATOM 476 O THR A 29 -3.515 8.564 6.075 1.00 0.41 O ATOM 477 CB THR A 29 -1.698 6.204 7.483 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.760 6.932 6.681 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.161 4.974 6.712 1.00 0.48 C ATOM 0 H THR A 29 -3.510 5.559 9.133 1.00 0.56 H new ATOM 0 HA THR A 29 -2.450 8.026 8.319 1.00 0.52 H new ATOM 0 HB THR A 29 -1.227 5.868 8.407 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.016 6.344 6.434 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.298 4.361 6.453 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.846 4.394 7.330 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.671 5.286 5.801 1.00 0.48 H new ATOM 487 N ALA A 30 -4.666 6.655 6.298 1.00 0.39 N ATOM 488 CA ALA A 30 -5.548 6.937 5.177 1.00 0.34 C ATOM 489 C ALA A 30 -6.438 8.124 5.514 1.00 0.32 C ATOM 490 O ALA A 30 -6.652 9.008 4.689 1.00 0.28 O ATOM 491 CB ALA A 30 -6.385 5.713 4.831 1.00 0.38 C ATOM 0 H ALA A 30 -4.849 5.768 6.768 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.945 7.185 4.303 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.038 5.945 3.990 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.727 4.886 4.563 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -6.990 5.430 5.693 1.00 0.38 H new ATOM 497 N LYS A 31 -6.912 8.150 6.755 1.00 0.38 N ATOM 498 CA LYS A 31 -7.774 9.225 7.229 1.00 0.41 C ATOM 499 C LYS A 31 -7.022 10.555 7.263 1.00 0.38 C ATOM 500 O LYS A 31 -7.569 11.600 6.907 1.00 0.39 O ATOM 501 CB LYS A 31 -8.291 8.890 8.628 1.00 0.49 C ATOM 502 CG LYS A 31 -9.268 9.913 9.189 1.00 1.16 C ATOM 503 CD LYS A 31 -9.688 9.555 10.606 1.00 1.63 C ATOM 504 CE LYS A 31 -10.687 10.555 11.170 1.00 2.36 C ATOM 505 NZ LYS A 31 -10.148 11.942 11.192 1.00 3.09 N ATOM 0 H LYS A 31 -6.712 7.434 7.454 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.613 9.322 6.540 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -8.778 7.915 8.600 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -7.442 8.803 9.307 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -8.807 10.901 9.182 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -10.149 9.967 8.549 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -10.128 8.558 10.613 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -8.808 9.519 11.248 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -11.598 10.531 10.572 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -10.962 10.259 12.182 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -10.772 12.548 11.763 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -9.195 11.937 11.607 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -10.101 12.311 10.221 1.00 3.09 H new ATOM 519 N GLN A 32 -5.766 10.512 7.694 1.00 0.38 N ATOM 520 CA GLN A 32 -4.955 11.720 7.796 1.00 0.40 C ATOM 521 C GLN A 32 -4.666 12.284 6.420 1.00 0.32 C ATOM 522 O GLN A 32 -4.701 13.493 6.215 1.00 0.33 O ATOM 523 CB GLN A 32 -3.638 11.448 8.532 1.00 0.47 C ATOM 524 CG GLN A 32 -3.824 10.974 9.961 1.00 0.55 C ATOM 525 CD GLN A 32 -4.778 11.851 10.744 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.372 12.814 11.393 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.059 11.523 10.686 1.00 0.64 N ATOM 0 H GLN A 32 -5.288 9.657 7.978 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.525 12.450 8.371 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.072 10.697 7.980 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.039 12.359 8.536 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.199 9.950 9.955 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -2.857 10.956 10.463 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.355 10.716 10.136 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -6.751 12.077 11.191 1.00 0.64 H new ATOM 536 N LEU A 33 -4.405 11.400 5.474 1.00 0.28 N ATOM 537 CA LEU A 33 -4.079 11.815 4.123 1.00 0.25 C ATOM 538 C LEU A 33 -5.238 12.541 3.478 1.00 0.21 C ATOM 539 O LEU A 33 -5.049 13.607 2.910 1.00 0.22 O ATOM 540 CB LEU A 33 -3.678 10.602 3.282 1.00 0.28 C ATOM 541 CG LEU A 33 -2.186 10.245 3.296 1.00 0.72 C ATOM 542 CD1 LEU A 33 -1.603 10.320 4.702 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.974 8.857 2.712 1.00 1.61 C ATOM 0 H LEU A 33 -4.413 10.390 5.617 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.238 12.506 4.175 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.243 9.738 3.632 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.980 10.783 2.250 1.00 0.28 H new ATOM 0 HG LEU A 33 -1.663 10.977 2.681 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -0.545 10.061 4.671 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -1.717 11.332 5.090 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -2.129 9.621 5.352 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -0.911 8.614 2.727 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -2.522 8.125 3.305 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.337 8.835 1.684 1.00 1.61 H new ATOM 555 N GLU A 34 -6.446 12.021 3.609 1.00 0.21 N ATOM 556 CA GLU A 34 -7.572 12.664 2.963 1.00 0.25 C ATOM 557 C GLU A 34 -7.921 13.961 3.666 1.00 0.29 C ATOM 558 O GLU A 34 -8.254 14.958 3.024 1.00 0.33 O ATOM 559 CB GLU A 34 -8.795 11.749 2.879 1.00 0.31 C ATOM 560 CG GLU A 34 -9.144 11.022 4.164 1.00 0.38 C ATOM 561 CD GLU A 34 -10.398 10.177 4.021 1.00 0.54 C ATOM 562 OE1 GLU A 34 -10.323 9.084 3.421 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.470 10.613 4.500 1.00 0.87 O ATOM 0 H GLU A 34 -6.668 11.180 4.141 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.270 12.887 1.940 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.655 12.345 2.572 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.623 11.010 2.097 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.310 10.385 4.457 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.287 11.749 4.964 1.00 0.38 H new ATOM 570 N ALA A 35 -7.828 13.947 4.986 1.00 0.30 N ATOM 571 CA ALA A 35 -8.111 15.130 5.784 1.00 0.36 C ATOM 572 C ALA A 35 -7.082 16.235 5.536 1.00 0.35 C ATOM 573 O ALA A 35 -7.435 17.406 5.402 1.00 0.42 O ATOM 574 CB ALA A 35 -8.159 14.776 7.263 1.00 0.40 C ATOM 0 H ALA A 35 -7.558 13.127 5.529 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.087 15.508 5.479 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.372 15.673 7.845 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.942 14.037 7.435 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.198 14.364 7.570 1.00 0.40 H new ATOM 580 N GLU A 36 -5.812 15.853 5.469 1.00 0.30 N ATOM 581 CA GLU A 36 -4.723 16.816 5.343 1.00 0.34 C ATOM 582 C GLU A 36 -4.447 17.214 3.901 1.00 0.31 C ATOM 583 O GLU A 36 -4.344 18.399 3.595 1.00 0.41 O ATOM 584 CB GLU A 36 -3.438 16.265 5.963 1.00 0.38 C ATOM 585 CG GLU A 36 -3.266 16.631 7.424 1.00 0.74 C ATOM 586 CD GLU A 36 -3.149 18.127 7.622 1.00 1.25 C ATOM 587 OE1 GLU A 36 -2.276 18.750 6.983 1.00 1.69 O ATOM 588 OE2 GLU A 36 -3.938 18.688 8.417 1.00 1.73 O ATOM 0 H GLU A 36 -5.510 14.879 5.500 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.047 17.708 5.879 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.434 15.179 5.866 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.583 16.639 5.400 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.115 16.255 7.995 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.375 16.142 7.818 1.00 0.74 H new ATOM 595 N THR A 37 -4.296 16.236 3.020 1.00 0.24 N ATOM 596 CA THR A 37 -3.879 16.528 1.659 1.00 0.26 C ATOM 597 C THR A 37 -5.053 17.027 0.822 1.00 0.28 C ATOM 598 O THR A 37 -4.868 17.684 -0.202 1.00 0.35 O ATOM 599 CB THR A 37 -3.245 15.302 0.967 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.249 14.337 0.648 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.189 14.660 1.857 1.00 0.29 C ATOM 0 H THR A 37 -4.453 15.248 3.220 1.00 0.24 H new ATOM 0 HA THR A 37 -3.123 17.310 1.729 1.00 0.26 H new ATOM 0 HB THR A 37 -2.769 15.646 0.049 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.784 14.145 1.446 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.758 13.799 1.347 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.404 15.385 2.071 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.648 14.336 2.791 1.00 0.29 H new ATOM 609 N GLY A 38 -6.265 16.723 1.281 1.00 0.28 N ATOM 610 CA GLY A 38 -7.451 17.013 0.500 1.00 0.35 C ATOM 611 C GLY A 38 -7.742 15.902 -0.472 1.00 0.35 C ATOM 612 O GLY A 38 -8.711 15.955 -1.229 1.00 0.44 O ATOM 0 H GLY A 38 -6.445 16.280 2.182 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.304 17.152 1.165 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.314 17.949 -0.042 1.00 0.35 H new ATOM 616 N CYS A 39 -6.901 14.885 -0.432 1.00 0.29 N ATOM 617 CA CYS A 39 -7.049 13.730 -1.282 1.00 0.26 C ATOM 618 C CYS A 39 -7.613 12.571 -0.520 1.00 0.35 C ATOM 619 O CYS A 39 -6.970 12.050 0.382 1.00 0.73 O ATOM 620 CB CYS A 39 -5.701 13.322 -1.826 1.00 0.37 C ATOM 621 SG CYS A 39 -5.710 11.753 -2.697 1.00 1.29 S ATOM 0 H CYS A 39 -6.097 14.842 0.194 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.728 13.997 -2.092 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.343 14.099 -2.502 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.990 13.264 -1.002 1.00 0.37 H new ATOM 0 HG CYS A 39 -5.676 10.779 -1.837 1.00 1.29 H new ATOM 627 N LYS A 40 -8.773 12.117 -0.930 1.00 0.28 N ATOM 628 CA LYS A 40 -9.374 10.985 -0.296 1.00 0.27 C ATOM 629 C LYS A 40 -8.760 9.738 -0.886 1.00 0.24 C ATOM 630 O LYS A 40 -9.147 9.283 -1.964 1.00 0.26 O ATOM 631 CB LYS A 40 -10.887 11.014 -0.479 1.00 0.35 C ATOM 632 CG LYS A 40 -11.605 9.863 0.199 1.00 1.07 C ATOM 633 CD LYS A 40 -13.106 10.044 0.135 1.00 1.36 C ATOM 634 CE LYS A 40 -13.838 8.856 0.737 1.00 1.62 C ATOM 635 NZ LYS A 40 -15.294 9.118 0.865 1.00 2.51 N ATOM 0 H LYS A 40 -9.312 12.517 -1.698 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.188 11.002 0.778 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -11.274 11.954 -0.086 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -11.116 10.996 -1.545 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.328 8.924 -0.281 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -11.288 9.795 1.240 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -13.387 10.953 0.667 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.414 10.174 -0.903 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.680 7.976 0.113 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -13.421 8.630 1.718 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -15.761 8.286 1.279 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -15.446 9.943 1.480 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -15.696 9.309 -0.075 1.00 2.51 H new ATOM 649 N ILE A 41 -7.761 9.226 -0.199 1.00 0.22 N ATOM 650 CA ILE A 41 -7.045 8.064 -0.662 1.00 0.21 C ATOM 651 C ILE A 41 -7.849 6.823 -0.337 1.00 0.23 C ATOM 652 O ILE A 41 -8.009 6.447 0.824 1.00 0.29 O ATOM 653 CB ILE A 41 -5.633 7.986 -0.033 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.972 6.639 -0.327 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.694 8.231 1.471 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.584 6.521 0.260 1.00 0.25 C ATOM 0 H ILE A 41 -7.427 9.602 0.688 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.913 8.137 -1.741 1.00 0.21 H new ATOM 0 HB ILE A 41 -5.025 8.769 -0.486 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.597 5.839 0.070 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.917 6.495 -1.406 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.690 8.171 1.890 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -6.109 9.221 1.662 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.327 7.476 1.937 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -3.168 5.543 0.017 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.946 7.300 -0.156 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.636 6.634 1.343 1.00 0.25 H new ATOM 668 N MET A 42 -8.385 6.209 -1.368 1.00 0.20 N ATOM 669 CA MET A 42 -9.267 5.093 -1.184 1.00 0.21 C ATOM 670 C MET A 42 -8.584 3.835 -1.651 1.00 0.20 C ATOM 671 O MET A 42 -7.969 3.798 -2.718 1.00 0.21 O ATOM 672 CB MET A 42 -10.590 5.296 -1.928 1.00 0.26 C ATOM 673 CG MET A 42 -10.439 5.510 -3.425 1.00 0.29 C ATOM 674 SD MET A 42 -12.028 5.480 -4.280 1.00 0.45 S ATOM 675 CE MET A 42 -12.864 6.857 -3.494 1.00 1.43 C ATOM 0 H MET A 42 -8.222 6.469 -2.341 1.00 0.20 H new ATOM 0 HA MET A 42 -9.502 5.007 -0.123 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.225 4.427 -1.759 1.00 0.26 H new ATOM 0 HB3 MET A 42 -11.106 6.156 -1.500 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.949 6.466 -3.606 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.791 4.736 -3.838 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.457 7.393 -4.235 1.00 1.43 H new ATOM 0 HE2 MET A 42 -13.519 6.484 -2.706 1.00 1.43 H new ATOM 0 HE3 MET A 42 -12.126 7.532 -3.062 1.00 1.43 H new ATOM 685 N VAL A 43 -8.676 2.814 -0.844 1.00 0.22 N ATOM 686 CA VAL A 43 -8.071 1.555 -1.179 1.00 0.25 C ATOM 687 C VAL A 43 -8.996 0.816 -2.134 1.00 0.27 C ATOM 688 O VAL A 43 -10.106 0.433 -1.774 1.00 0.41 O ATOM 689 CB VAL A 43 -7.792 0.703 0.075 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.629 -0.231 -0.178 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.508 1.581 1.288 1.00 0.79 C ATOM 0 H VAL A 43 -9.165 2.829 0.051 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.108 1.739 -1.655 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.684 0.114 0.288 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.441 -0.828 0.714 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -6.867 -0.891 -1.012 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.740 0.352 -0.419 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.315 0.951 2.156 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.635 2.203 1.090 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.370 2.218 1.486 1.00 0.79 H new ATOM 701 N ARG A 44 -8.541 0.646 -3.356 1.00 0.29 N ATOM 702 CA ARG A 44 -9.366 0.076 -4.402 1.00 0.31 C ATOM 703 C ARG A 44 -8.928 -1.337 -4.706 1.00 0.38 C ATOM 704 O ARG A 44 -7.788 -1.574 -5.080 1.00 0.71 O ATOM 705 CB ARG A 44 -9.325 0.927 -5.676 1.00 0.33 C ATOM 706 CG ARG A 44 -10.005 2.281 -5.540 1.00 0.37 C ATOM 707 CD ARG A 44 -10.414 2.830 -6.892 1.00 0.50 C ATOM 708 NE ARG A 44 -11.282 3.996 -6.772 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.827 4.631 -7.809 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.592 4.212 -9.047 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.617 5.677 -7.611 1.00 1.10 N ATOM 0 H ARG A 44 -7.598 0.896 -3.652 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.395 0.061 -4.041 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.285 1.082 -5.963 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.800 0.373 -6.486 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.884 2.186 -4.902 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.330 2.982 -5.050 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.522 3.099 -7.458 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.928 2.053 -7.458 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.484 4.347 -5.836 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -10.993 3.402 -9.206 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.011 4.700 -9.839 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -12.810 5.998 -6.662 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.032 6.160 -8.407 1.00 1.10 H new ATOM 725 N GLY A 45 -9.849 -2.259 -4.559 1.00 0.26 N ATOM 726 CA GLY A 45 -9.539 -3.656 -4.717 1.00 0.29 C ATOM 727 C GLY A 45 -10.444 -4.513 -3.871 1.00 0.29 C ATOM 728 O GLY A 45 -11.283 -3.996 -3.122 1.00 0.33 O ATOM 0 H GLY A 45 -10.823 -2.064 -4.329 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.642 -3.938 -5.765 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.500 -3.835 -4.439 1.00 0.29 H new ATOM 732 N LYS A 46 -10.280 -5.814 -3.997 1.00 0.39 N ATOM 733 CA LYS A 46 -11.069 -6.772 -3.242 1.00 0.50 C ATOM 734 C LYS A 46 -10.744 -6.696 -1.750 1.00 0.50 C ATOM 735 O LYS A 46 -9.704 -7.178 -1.292 1.00 0.62 O ATOM 736 CB LYS A 46 -10.826 -8.184 -3.797 1.00 0.74 C ATOM 737 CG LYS A 46 -9.370 -8.636 -3.746 1.00 0.90 C ATOM 738 CD LYS A 46 -9.034 -9.612 -4.864 1.00 0.94 C ATOM 739 CE LYS A 46 -9.149 -8.946 -6.226 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.533 -9.756 -7.307 1.00 1.45 N ATOM 0 H LYS A 46 -9.597 -6.239 -4.624 1.00 0.39 H new ATOM 0 HA LYS A 46 -12.126 -6.529 -3.352 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.434 -8.892 -3.235 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.169 -8.220 -4.831 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.718 -7.765 -3.817 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.170 -9.106 -2.783 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.022 -9.993 -4.726 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -9.706 -10.469 -4.817 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -10.201 -8.777 -6.457 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.669 -7.968 -6.191 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -9.074 -9.630 -8.186 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.552 -9.446 -7.457 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -8.541 -10.760 -7.036 1.00 1.45 H new ATOM 754 N GLY A 47 -11.627 -6.058 -0.991 1.00 0.57 N ATOM 755 CA GLY A 47 -11.447 -6.026 0.443 1.00 0.68 C ATOM 756 C GLY A 47 -11.286 -4.630 0.990 1.00 0.51 C ATOM 757 O GLY A 47 -10.656 -4.433 2.025 1.00 0.60 O ATOM 0 H GLY A 47 -12.452 -5.570 -1.339 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.304 -6.500 0.921 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.569 -6.616 0.706 1.00 0.68 H new ATOM 761 N SER A 48 -11.869 -3.662 0.310 1.00 0.54 N ATOM 762 CA SER A 48 -11.752 -2.276 0.727 1.00 0.72 C ATOM 763 C SER A 48 -12.528 -2.011 2.027 1.00 1.02 C ATOM 764 O SER A 48 -11.941 -1.666 3.050 1.00 1.43 O ATOM 765 CB SER A 48 -12.295 -1.384 -0.391 1.00 0.82 C ATOM 766 OG SER A 48 -12.251 -0.013 -0.042 1.00 1.31 O ATOM 0 H SER A 48 -12.427 -3.808 -0.531 1.00 0.54 H new ATOM 0 HA SER A 48 -10.702 -2.054 0.919 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.714 -1.546 -1.299 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.323 -1.669 -0.615 1.00 0.82 H new ATOM 0 HG SER A 48 -12.269 0.532 -0.856 1.00 1.31 H new ATOM 772 N MET A 49 -13.847 -2.174 1.976 1.00 1.18 N ATOM 773 CA MET A 49 -14.709 -1.893 3.119 1.00 1.58 C ATOM 774 C MET A 49 -15.640 -3.068 3.428 1.00 1.30 C ATOM 775 O MET A 49 -16.766 -2.857 3.862 1.00 1.70 O ATOM 776 CB MET A 49 -15.514 -0.617 2.877 1.00 2.49 C ATOM 777 CG MET A 49 -14.669 0.646 2.814 1.00 3.25 C ATOM 778 SD MET A 49 -15.658 2.128 2.529 1.00 4.35 S ATOM 779 CE MET A 49 -14.394 3.394 2.617 1.00 5.15 C ATOM 0 H MET A 49 -14.345 -2.502 1.148 1.00 1.18 H new ATOM 0 HA MET A 49 -14.069 -1.746 3.989 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.066 -0.720 1.942 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.252 -0.509 3.672 1.00 2.49 H new ATOM 0 HG2 MET A 49 -14.116 0.756 3.747 1.00 3.25 H new ATOM 0 HG3 MET A 49 -13.932 0.546 2.017 1.00 3.25 H new ATOM 0 HE1 MET A 49 -14.848 4.373 2.460 1.00 5.15 H new ATOM 0 HE2 MET A 49 -13.920 3.367 3.598 1.00 5.15 H new ATOM 0 HE3 MET A 49 -13.644 3.214 1.846 1.00 5.15 H new ATOM 789 N ARG A 50 -15.175 -4.295 3.191 1.00 0.89 N ATOM 790 CA ARG A 50 -16.022 -5.505 3.268 1.00 1.28 C ATOM 791 C ARG A 50 -16.553 -5.824 4.672 1.00 1.22 C ATOM 792 O ARG A 50 -16.831 -6.985 4.980 1.00 1.55 O ATOM 793 CB ARG A 50 -15.266 -6.723 2.757 1.00 1.65 C ATOM 794 CG ARG A 50 -15.106 -6.762 1.254 1.00 2.14 C ATOM 795 CD ARG A 50 -14.663 -8.138 0.800 1.00 2.26 C ATOM 796 NE ARG A 50 -13.375 -8.517 1.387 1.00 3.05 N ATOM 797 CZ ARG A 50 -12.485 -9.324 0.811 1.00 3.84 C ATOM 798 NH1 ARG A 50 -12.733 -9.864 -0.376 1.00 4.04 N ATOM 799 NH2 ARG A 50 -11.338 -9.585 1.428 1.00 4.74 N ATOM 0 H ARG A 50 -14.205 -4.487 2.940 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.884 -5.279 2.640 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -14.278 -6.744 3.218 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -15.788 -7.624 3.080 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -16.050 -6.502 0.776 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -14.374 -6.017 0.941 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -15.419 -8.873 1.077 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -14.586 -8.155 -0.287 1.00 2.26 H new ATOM 0 HE ARG A 50 -13.143 -8.135 2.304 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -13.611 -9.662 -0.855 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -12.046 -10.481 -0.809 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -11.142 -9.168 2.338 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -10.653 -10.202 0.992 1.00 4.74 H new ATOM 813 N ASP A 51 -16.694 -4.820 5.511 1.00 0.99 N ATOM 814 CA ASP A 51 -17.245 -5.002 6.840 1.00 1.15 C ATOM 815 C ASP A 51 -18.703 -5.461 6.741 1.00 1.27 C ATOM 816 O ASP A 51 -19.421 -5.051 5.829 1.00 1.24 O ATOM 817 CB ASP A 51 -17.139 -3.698 7.623 1.00 1.25 C ATOM 818 CG ASP A 51 -17.539 -3.863 9.074 1.00 1.85 C ATOM 819 OD1 ASP A 51 -17.421 -4.984 9.610 1.00 1.97 O ATOM 820 OD2 ASP A 51 -17.968 -2.872 9.687 1.00 2.67 O ATOM 0 H ASP A 51 -16.432 -3.858 5.294 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.679 -5.770 7.367 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.115 -3.328 7.571 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -17.774 -2.945 7.157 1.00 1.25 H new ATOM 825 N LYS A 52 -19.126 -6.305 7.682 1.00 1.46 N ATOM 826 CA LYS A 52 -20.424 -6.988 7.604 1.00 1.63 C ATOM 827 C LYS A 52 -21.580 -6.012 7.420 1.00 1.60 C ATOM 828 O LYS A 52 -22.479 -6.232 6.602 1.00 1.65 O ATOM 829 CB LYS A 52 -20.653 -7.828 8.861 1.00 1.89 C ATOM 830 CG LYS A 52 -22.057 -8.399 8.966 1.00 2.13 C ATOM 831 CD LYS A 52 -22.251 -9.166 10.261 1.00 2.73 C ATOM 832 CE LYS A 52 -23.715 -9.504 10.492 1.00 3.39 C ATOM 833 NZ LYS A 52 -24.563 -8.285 10.584 1.00 4.02 N ATOM 0 H LYS A 52 -18.585 -6.536 8.516 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.395 -7.634 6.727 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -19.935 -8.648 8.875 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -20.453 -7.214 9.739 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -22.785 -7.590 8.909 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -22.247 -9.059 8.119 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -21.664 -10.084 10.233 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -21.877 -8.574 11.096 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -24.074 -10.134 9.678 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -23.812 -10.083 11.410 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -25.417 -8.497 11.138 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -24.028 -7.524 11.050 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -24.838 -7.980 9.628 1.00 4.02 H new ATOM 847 N LYS A 53 -21.558 -4.925 8.163 1.00 1.58 N ATOM 848 CA LYS A 53 -22.619 -3.950 8.052 1.00 1.61 C ATOM 849 C LYS A 53 -22.653 -3.343 6.656 1.00 1.43 C ATOM 850 O LYS A 53 -23.723 -3.105 6.102 1.00 1.45 O ATOM 851 CB LYS A 53 -22.495 -2.859 9.113 1.00 1.70 C ATOM 852 CG LYS A 53 -21.165 -2.122 9.133 1.00 1.61 C ATOM 853 CD LYS A 53 -21.251 -0.919 10.057 1.00 1.81 C ATOM 854 CE LYS A 53 -19.892 -0.307 10.352 1.00 2.29 C ATOM 855 NZ LYS A 53 -19.093 -1.156 11.275 1.00 2.51 N ATOM 0 H LYS A 53 -20.829 -4.698 8.839 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.561 -4.471 8.224 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -23.292 -2.132 8.958 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -22.658 -3.308 10.093 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.373 -2.792 9.468 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -20.904 -1.799 8.125 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -21.894 -0.164 9.605 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -21.721 -1.219 10.994 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -19.345 -0.170 9.419 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -20.026 0.681 10.792 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -18.603 -0.552 11.965 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -19.724 -1.813 11.776 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -18.392 -1.698 10.730 1.00 2.51 H new ATOM 869 N LYS A 54 -21.488 -3.130 6.071 1.00 1.31 N ATOM 870 CA LYS A 54 -21.415 -2.536 4.753 1.00 1.17 C ATOM 871 C LYS A 54 -21.962 -3.481 3.694 1.00 1.19 C ATOM 872 O LYS A 54 -22.790 -3.090 2.885 1.00 1.21 O ATOM 873 CB LYS A 54 -19.989 -2.099 4.426 1.00 1.09 C ATOM 874 CG LYS A 54 -19.706 -0.675 4.855 1.00 1.22 C ATOM 875 CD LYS A 54 -18.244 -0.333 4.700 1.00 1.37 C ATOM 876 CE LYS A 54 -17.962 1.124 5.025 1.00 1.53 C ATOM 877 NZ LYS A 54 -18.699 2.054 4.125 1.00 2.16 N ATOM 0 H LYS A 54 -20.585 -3.359 6.487 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.042 -1.644 4.753 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.285 -2.770 4.918 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.821 -2.192 3.353 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -20.307 0.012 4.259 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.004 -0.541 5.895 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -17.651 -0.972 5.355 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -17.929 -0.544 3.678 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.241 1.324 6.059 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -16.892 1.312 4.942 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -18.039 2.758 3.737 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -19.128 1.516 3.346 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -19.445 2.539 4.663 1.00 2.16 H new ATOM 891 N GLU A 55 -21.548 -4.734 3.733 1.00 1.26 N ATOM 892 CA GLU A 55 -21.993 -5.713 2.744 1.00 1.33 C ATOM 893 C GLU A 55 -23.504 -5.933 2.788 1.00 1.46 C ATOM 894 O GLU A 55 -24.085 -6.429 1.825 1.00 1.53 O ATOM 895 CB GLU A 55 -21.260 -7.045 2.923 1.00 1.44 C ATOM 896 CG GLU A 55 -21.208 -7.509 4.364 1.00 1.58 C ATOM 897 CD GLU A 55 -21.138 -9.015 4.494 1.00 1.79 C ATOM 898 OE1 GLU A 55 -22.113 -9.693 4.108 1.00 1.96 O ATOM 899 OE2 GLU A 55 -20.121 -9.533 5.001 1.00 2.05 O ATOM 0 H GLU A 55 -20.906 -5.102 4.435 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.748 -5.303 1.764 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -21.753 -7.808 2.320 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.243 -6.947 2.543 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -20.340 -7.066 4.852 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -22.090 -7.144 4.890 1.00 1.58 H new ATOM 906 N GLU A 56 -24.137 -5.599 3.902 1.00 1.51 N ATOM 907 CA GLU A 56 -25.585 -5.750 4.000 1.00 1.64 C ATOM 908 C GLU A 56 -26.330 -4.527 3.458 1.00 1.57 C ATOM 909 O GLU A 56 -27.192 -4.650 2.592 1.00 1.62 O ATOM 910 CB GLU A 56 -26.003 -6.020 5.446 1.00 1.78 C ATOM 911 CG GLU A 56 -25.461 -7.326 5.997 1.00 1.87 C ATOM 912 CD GLU A 56 -26.061 -7.688 7.338 1.00 2.05 C ATOM 913 OE1 GLU A 56 -25.529 -7.229 8.374 1.00 2.40 O ATOM 914 OE2 GLU A 56 -27.065 -8.426 7.370 1.00 2.33 O ATOM 0 H GLU A 56 -23.684 -5.228 4.737 1.00 1.51 H new ATOM 0 HA GLU A 56 -25.859 -6.605 3.382 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.659 -5.199 6.075 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.091 -6.033 5.505 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -25.662 -8.127 5.286 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -24.378 -7.252 6.096 1.00 1.87 H new ATOM 921 N GLN A 57 -25.997 -3.350 3.970 1.00 1.48 N ATOM 922 CA GLN A 57 -26.761 -2.129 3.667 1.00 1.47 C ATOM 923 C GLN A 57 -25.995 -1.190 2.737 1.00 1.36 C ATOM 924 O GLN A 57 -26.576 -0.503 1.898 1.00 1.40 O ATOM 925 CB GLN A 57 -27.087 -1.406 4.969 1.00 1.55 C ATOM 926 CG GLN A 57 -25.837 -1.003 5.709 1.00 1.59 C ATOM 927 CD GLN A 57 -25.999 -0.984 7.202 1.00 1.75 C ATOM 928 OE1 GLN A 57 -27.042 -0.608 7.737 1.00 2.37 O ATOM 929 NE2 GLN A 57 -24.984 -1.484 7.869 1.00 1.85 N ATOM 0 H GLN A 57 -25.206 -3.206 4.597 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.677 -2.424 3.155 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.685 -0.520 4.754 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.693 -2.053 5.603 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -25.033 -1.691 5.448 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.530 -0.013 5.373 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -24.143 -1.780 7.373 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -25.036 -1.577 8.883 1.00 1.85 H new ATOM 938 N ASN A 58 -24.684 -1.171 2.907 1.00 1.27 N ATOM 939 CA ASN A 58 -23.798 -0.248 2.207 1.00 1.21 C ATOM 940 C ASN A 58 -23.254 -0.940 0.953 1.00 1.16 C ATOM 941 O ASN A 58 -22.362 -0.451 0.268 1.00 1.13 O ATOM 942 CB ASN A 58 -22.674 0.156 3.186 1.00 1.21 C ATOM 943 CG ASN A 58 -21.676 1.171 2.644 1.00 1.55 C ATOM 944 OD1 ASN A 58 -20.707 0.823 1.975 1.00 2.20 O ATOM 945 ND2 ASN A 58 -21.869 2.431 2.997 1.00 1.95 N ATOM 0 H ASN A 58 -24.196 -1.803 3.542 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.319 0.653 1.883 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -23.129 0.564 4.088 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -22.131 -0.742 3.481 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -21.202 3.148 2.713 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -22.685 2.685 3.553 1.00 1.95 H new ATOM 952 N ARG A 59 -23.824 -2.103 0.681 1.00 1.20 N ATOM 953 CA ARG A 59 -23.425 -2.945 -0.432 1.00 1.22 C ATOM 954 C ARG A 59 -23.625 -2.285 -1.788 1.00 1.19 C ATOM 955 O ARG A 59 -24.308 -1.269 -1.929 1.00 1.24 O ATOM 956 CB ARG A 59 -24.178 -4.283 -0.409 1.00 1.36 C ATOM 957 CG ARG A 59 -25.689 -4.177 -0.204 1.00 1.47 C ATOM 958 CD ARG A 59 -26.417 -3.511 -1.368 1.00 1.69 C ATOM 959 NE ARG A 59 -26.320 -4.283 -2.609 1.00 2.08 N ATOM 960 CZ ARG A 59 -26.372 -3.745 -3.830 1.00 2.67 C ATOM 961 NH1 ARG A 59 -26.541 -2.433 -3.977 1.00 2.95 N ATOM 962 NH2 ARG A 59 -26.272 -4.518 -4.904 1.00 3.45 N ATOM 0 H ARG A 59 -24.587 -2.492 1.235 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.356 -3.115 -0.301 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -23.991 -4.803 -1.348 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -23.762 -4.902 0.386 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.098 -5.176 -0.054 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -25.885 -3.612 0.707 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.467 -3.380 -1.107 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -26.002 -2.516 -1.530 1.00 1.69 H new ATOM 0 HE ARG A 59 -26.206 -5.294 -2.536 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -26.631 -1.835 -3.155 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -26.580 -2.025 -4.911 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -26.155 -5.526 -4.798 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -26.312 -4.104 -5.836 1.00 3.45 H new ATOM 976 N GLY A 60 -23.012 -2.906 -2.778 1.00 1.15 N ATOM 977 CA GLY A 60 -23.169 -2.511 -4.167 1.00 1.15 C ATOM 978 C GLY A 60 -22.467 -1.215 -4.512 1.00 1.07 C ATOM 979 O GLY A 60 -22.308 -0.882 -5.687 1.00 1.09 O ATOM 0 H GLY A 60 -22.389 -3.702 -2.642 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.784 -3.305 -4.807 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.231 -2.409 -4.389 1.00 1.15 H new ATOM 983 N LYS A 61 -22.038 -0.486 -3.501 1.00 1.00 N ATOM 984 CA LYS A 61 -21.485 0.837 -3.717 1.00 0.95 C ATOM 985 C LYS A 61 -19.971 0.891 -3.440 1.00 0.80 C ATOM 986 O LYS A 61 -19.419 -0.114 -3.025 1.00 0.77 O ATOM 987 CB LYS A 61 -22.321 1.881 -2.987 1.00 1.04 C ATOM 988 CG LYS A 61 -22.225 1.922 -1.483 1.00 1.55 C ATOM 989 CD LYS A 61 -23.008 3.124 -0.990 1.00 2.06 C ATOM 990 CE LYS A 61 -23.507 2.959 0.430 1.00 2.55 C ATOM 991 NZ LYS A 61 -24.387 4.089 0.829 1.00 3.16 N ATOM 0 H LYS A 61 -22.061 -0.785 -2.526 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.555 1.089 -4.775 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -22.041 2.863 -3.369 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -23.366 1.721 -3.253 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.625 1.005 -1.052 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -21.183 1.993 -1.171 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -22.377 4.011 -1.047 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -23.858 3.294 -1.651 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -24.054 2.021 0.518 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -22.658 2.898 1.111 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -24.713 3.947 1.806 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -23.856 4.981 0.767 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -25.209 4.130 0.193 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.285 2.046 -3.745 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.824 2.188 -3.957 1.00 0.66 C ATOM 1007 C PRO A 62 -16.872 1.137 -3.355 1.00 0.58 C ATOM 1008 O PRO A 62 -15.874 0.801 -3.988 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.559 3.545 -3.315 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.791 4.345 -3.587 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.898 3.374 -3.934 1.00 0.85 C ATOM 0 HA PRO A 62 -17.609 2.063 -5.018 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.379 3.447 -2.244 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.677 4.020 -3.744 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -19.062 4.939 -2.715 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.622 5.042 -4.408 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.764 3.509 -3.286 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.242 3.512 -4.959 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.173 0.575 -2.204 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.302 -0.451 -1.630 1.00 0.63 C ATOM 1021 C ASN A 63 -16.342 -1.692 -2.488 1.00 0.56 C ATOM 1022 O ASN A 63 -15.343 -2.394 -2.632 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.647 -0.803 -0.173 1.00 0.79 C ATOM 1024 CG ASN A 63 -18.092 -0.579 0.270 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -18.667 -1.429 0.937 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -18.649 0.592 0.002 1.00 1.06 N ATOM 0 H ASN A 63 -17.998 0.800 -1.648 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.295 -0.035 -1.614 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.401 -1.852 -0.011 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -15.998 -0.219 0.480 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -19.582 0.805 0.354 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -18.145 1.281 -0.557 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.496 -1.935 -3.067 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.676 -3.022 -4.000 1.00 0.62 C ATOM 1035 C TRP A 64 -17.406 -2.535 -5.398 1.00 0.60 C ATOM 1036 O TRP A 64 -16.964 -3.293 -6.242 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.080 -3.583 -3.895 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.493 -3.659 -2.469 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.197 -2.728 -1.777 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.157 -4.685 -1.542 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.337 -3.111 -0.478 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.701 -4.320 -0.302 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.450 -5.885 -1.646 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.552 -5.114 0.830 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -18.304 -6.671 -0.522 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.854 -6.284 0.700 1.00 1.18 C ATOM 0 H TRP A 64 -18.338 -1.383 -2.903 1.00 0.61 H new ATOM 0 HA TRP A 64 -16.973 -3.820 -3.759 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.775 -2.952 -4.450 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.119 -4.574 -4.347 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.590 -1.814 -2.197 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.831 -2.589 0.245 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -18.025 -6.192 -2.590 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.973 -4.817 1.779 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -17.756 -7.599 -0.589 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.726 -6.922 1.562 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.671 -1.250 -5.617 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.381 -0.604 -6.893 1.00 0.55 C ATOM 1059 C GLU A 65 -15.956 -0.897 -7.338 1.00 0.48 C ATOM 1060 O GLU A 65 -15.709 -1.267 -8.481 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.578 0.904 -6.764 1.00 0.59 C ATOM 1062 CG GLU A 65 -16.560 1.738 -7.532 1.00 0.69 C ATOM 1063 CD GLU A 65 -16.244 3.039 -6.828 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -17.060 3.985 -6.935 1.00 1.59 O ATOM 1065 OE2 GLU A 65 -15.172 3.127 -6.194 1.00 1.28 O ATOM 0 H GLU A 65 -18.089 -0.632 -4.922 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.066 -1.001 -7.642 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.578 1.159 -7.115 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.531 1.176 -5.709 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -15.643 1.163 -7.659 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -16.944 1.950 -8.530 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.021 -0.684 -6.435 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.628 -0.966 -6.711 1.00 0.38 C ATOM 1074 C HIS A 66 -13.204 -2.310 -6.131 1.00 0.36 C ATOM 1075 O HIS A 66 -12.041 -2.674 -6.206 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.721 0.167 -6.230 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.927 0.583 -4.810 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.232 1.875 -4.442 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.803 -0.117 -3.667 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.270 1.955 -3.125 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -13.013 0.758 -2.625 1.00 0.47 N ATOM 0 H HIS A 66 -15.202 -0.315 -5.501 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.517 -1.032 -7.793 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.683 -0.141 -6.355 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.876 1.034 -6.873 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.402 2.648 -5.086 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.580 -1.170 -3.583 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.476 2.847 -2.552 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.144 -3.026 -5.521 1.00 0.38 N ATOM 1091 CA LEU A 67 -13.879 -4.372 -5.003 1.00 0.40 C ATOM 1092 C LEU A 67 -13.517 -5.306 -6.144 1.00 0.41 C ATOM 1093 O LEU A 67 -12.853 -6.324 -5.960 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.111 -4.931 -4.293 1.00 0.48 C ATOM 1095 CG LEU A 67 -14.941 -6.325 -3.695 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.538 -6.231 -2.237 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -16.216 -7.136 -3.853 1.00 1.59 C ATOM 0 H LEU A 67 -15.099 -2.699 -5.371 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.052 -4.302 -4.296 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.394 -4.243 -3.496 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.939 -4.956 -5.002 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.146 -6.838 -4.236 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.421 -7.234 -1.826 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.594 -5.693 -2.154 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -15.309 -5.699 -1.680 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -16.073 -8.126 -3.420 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -17.035 -6.631 -3.341 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -16.456 -7.234 -4.912 1.00 1.59 H new ATOM 1109 N ASN A 68 -13.964 -4.930 -7.324 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.744 -5.726 -8.526 1.00 0.47 C ATOM 1111 C ASN A 68 -12.415 -5.355 -9.174 1.00 0.44 C ATOM 1112 O ASN A 68 -12.065 -5.850 -10.247 1.00 0.52 O ATOM 1113 CB ASN A 68 -14.913 -5.571 -9.511 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.509 -4.176 -9.518 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -15.074 -3.304 -10.271 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -16.529 -3.972 -8.688 1.00 0.58 N ATOM 0 H ASN A 68 -14.488 -4.069 -7.483 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.697 -6.777 -8.240 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.568 -5.817 -10.515 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.692 -6.290 -9.257 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -16.987 -3.061 -8.657 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.853 -4.727 -8.083 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.681 -4.485 -8.495 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.300 -4.189 -8.840 1.00 0.37 C ATOM 1125 C GLU A 69 -9.397 -5.125 -8.047 1.00 0.32 C ATOM 1126 O GLU A 69 -9.856 -5.775 -7.102 1.00 0.35 O ATOM 1127 CB GLU A 69 -9.952 -2.743 -8.465 1.00 0.38 C ATOM 1128 CG GLU A 69 -10.866 -1.693 -9.074 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.485 -1.340 -10.489 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -9.616 -0.464 -10.680 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -11.047 -1.949 -11.424 1.00 1.39 O ATOM 0 H GLU A 69 -12.027 -3.965 -7.689 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.161 -4.322 -9.913 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -9.982 -2.646 -7.380 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -8.927 -2.538 -8.775 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.893 -2.058 -9.059 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -10.839 -0.793 -8.460 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.129 -5.207 -8.406 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.178 -5.904 -7.556 1.00 0.30 C ATOM 1140 C ASP A 70 -6.610 -4.905 -6.568 1.00 0.22 C ATOM 1141 O ASP A 70 -6.382 -3.750 -6.924 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.065 -6.591 -8.352 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.392 -7.689 -7.541 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -6.033 -8.745 -7.320 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -4.238 -7.500 -7.108 1.00 1.10 O ATOM 0 H ASP A 70 -7.739 -4.810 -9.261 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.698 -6.705 -7.030 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.480 -7.015 -9.266 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.322 -5.852 -8.652 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.403 -5.345 -5.335 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.132 -4.444 -4.217 1.00 0.17 C ATOM 1152 C LEU A 71 -4.980 -3.482 -4.511 1.00 0.17 C ATOM 1153 O LEU A 71 -3.857 -3.886 -4.763 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.816 -5.259 -2.968 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.564 -4.444 -1.701 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.684 -3.441 -1.487 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.438 -5.365 -0.500 1.00 0.79 C ATOM 0 H LEU A 71 -6.417 -6.332 -5.079 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.026 -3.841 -4.058 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.644 -5.942 -2.781 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.936 -5.871 -3.167 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.629 -3.897 -1.818 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.491 -2.868 -0.580 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.735 -2.765 -2.340 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.632 -3.970 -1.387 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.259 -4.771 0.396 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.360 -5.934 -0.380 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.605 -6.051 -0.654 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.285 -2.204 -4.529 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.267 -1.179 -4.660 1.00 0.17 C ATOM 1171 C HIS A 72 -4.682 0.058 -3.884 1.00 0.17 C ATOM 1172 O HIS A 72 -5.856 0.221 -3.559 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.018 -0.845 -6.132 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.228 -0.379 -6.894 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.035 -1.243 -7.596 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.745 0.860 -7.092 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -6.988 -0.565 -8.200 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -6.839 0.713 -7.915 1.00 0.29 N ATOM 0 H HIS A 72 -6.237 -1.845 -4.454 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.332 -1.555 -4.245 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.252 -0.071 -6.188 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.615 -1.729 -6.626 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -5.914 -2.255 -7.642 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.370 1.786 -6.682 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -7.762 -0.986 -8.824 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.740 0.937 -3.609 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.056 2.170 -2.910 1.00 0.19 C ATOM 1189 C VAL A 73 -4.143 3.288 -3.925 1.00 0.20 C ATOM 1190 O VAL A 73 -3.325 3.371 -4.841 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.023 2.515 -1.809 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.034 1.457 -0.718 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.626 2.669 -2.385 1.00 0.29 C ATOM 0 H VAL A 73 -2.757 0.824 -3.856 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.011 2.040 -2.400 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.310 3.472 -1.373 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.302 1.716 0.047 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.026 1.407 -0.269 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.782 0.488 -1.148 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.927 2.911 -1.584 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.324 1.736 -2.861 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.623 3.471 -3.124 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.155 4.112 -3.805 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.389 5.147 -4.784 1.00 0.18 C ATOM 1205 C LEU A 74 -5.596 6.470 -4.102 1.00 0.18 C ATOM 1206 O LEU A 74 -6.560 6.660 -3.363 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.609 4.782 -5.641 1.00 0.22 C ATOM 1208 CG LEU A 74 -6.819 5.609 -6.917 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -7.797 4.909 -7.836 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.344 6.993 -6.591 1.00 0.80 C ATOM 0 H LEU A 74 -5.830 4.087 -3.040 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.517 5.231 -5.433 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.526 3.733 -5.924 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.501 4.876 -5.022 1.00 0.22 H new ATOM 0 HG LEU A 74 -5.853 5.708 -7.413 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.939 5.504 -8.738 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.405 3.929 -8.106 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.753 4.789 -7.327 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -7.483 7.556 -7.514 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.298 6.907 -6.071 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -6.629 7.513 -5.953 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.686 7.381 -4.353 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.866 8.733 -3.912 1.00 0.18 C ATOM 1224 C ILE A 75 -5.729 9.471 -4.920 1.00 0.18 C ATOM 1225 O ILE A 75 -5.308 9.755 -6.044 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.521 9.465 -3.727 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.505 8.994 -4.768 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.002 9.265 -2.317 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.276 9.863 -4.845 1.00 0.30 C ATOM 0 H ILE A 75 -3.818 7.206 -4.859 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.357 8.713 -2.939 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.679 10.533 -3.878 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.204 7.973 -4.534 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -2.984 8.969 -5.747 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.052 9.787 -2.201 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.724 9.663 -1.604 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.856 8.201 -2.131 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.599 9.470 -5.604 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.566 10.880 -5.109 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.773 9.868 -3.878 1.00 0.30 H new ATOM 1241 N THR A 76 -6.954 9.730 -4.514 1.00 0.17 N ATOM 1242 CA THR A 76 -7.891 10.473 -5.324 1.00 0.20 C ATOM 1243 C THR A 76 -8.040 11.887 -4.800 1.00 0.19 C ATOM 1244 O THR A 76 -8.632 12.102 -3.743 1.00 0.22 O ATOM 1245 CB THR A 76 -9.269 9.794 -5.299 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.211 8.597 -4.511 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.729 9.454 -6.696 1.00 0.31 C ATOM 0 H THR A 76 -7.327 9.431 -3.613 1.00 0.17 H new ATOM 0 HA THR A 76 -7.508 10.499 -6.344 1.00 0.20 H new ATOM 0 HB THR A 76 -9.982 10.490 -4.857 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.313 8.824 -3.563 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.707 8.974 -6.650 1.00 0.31 H new ATOM 0 HG22 THR A 76 -9.800 10.366 -7.288 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.013 8.775 -7.160 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.499 12.847 -5.519 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.603 14.223 -5.107 1.00 0.25 C ATOM 1257 C VAL A 77 -8.382 15.013 -6.145 1.00 0.33 C ATOM 1258 O VAL A 77 -8.022 15.057 -7.327 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.206 14.849 -4.869 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.355 14.820 -6.126 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.328 16.265 -4.332 1.00 0.86 C ATOM 0 H VAL A 77 -6.986 12.697 -6.388 1.00 0.23 H new ATOM 0 HA VAL A 77 -8.139 14.260 -4.159 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.702 14.241 -4.118 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.383 15.268 -5.918 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.217 13.788 -6.448 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.853 15.383 -6.915 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.333 16.681 -4.174 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.869 16.881 -5.050 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.870 16.250 -3.386 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.497 15.579 -5.716 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.293 16.406 -6.595 1.00 0.50 C ATOM 1273 C GLU A 78 -9.758 17.822 -6.553 1.00 0.63 C ATOM 1274 O GLU A 78 -10.171 18.634 -5.721 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.767 16.359 -6.188 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.349 14.955 -6.231 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.858 14.934 -6.127 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.534 15.144 -7.156 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -14.374 14.724 -5.009 1.00 1.63 O ATOM 0 H GLU A 78 -9.867 15.480 -4.770 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.226 16.030 -7.616 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.873 16.760 -5.180 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.342 17.006 -6.851 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.048 14.472 -7.161 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.926 14.368 -5.416 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.834 18.097 -7.459 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.126 19.363 -7.494 1.00 0.84 C ATOM 1288 C ASP A 79 -7.161 19.343 -8.667 1.00 0.75 C ATOM 1289 O ASP A 79 -6.577 18.302 -8.970 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.347 19.575 -6.194 1.00 1.20 C ATOM 1291 CG ASP A 79 -7.124 21.038 -5.880 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -6.302 21.683 -6.562 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -7.787 21.557 -4.950 1.00 2.05 O ATOM 0 H ASP A 79 -8.554 17.446 -8.192 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.842 20.178 -7.605 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -7.888 19.109 -5.371 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.383 19.072 -6.267 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.006 20.469 -9.336 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.154 20.537 -10.512 1.00 1.17 C ATOM 1300 C ALA A 80 -4.777 21.108 -10.189 1.00 1.09 C ATOM 1301 O ALA A 80 -3.930 21.241 -11.075 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.828 21.356 -11.594 1.00 1.85 C ATOM 0 H ALA A 80 -7.457 21.349 -9.087 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.004 19.519 -10.872 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -6.182 21.402 -12.471 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.776 20.891 -11.865 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -7.011 22.365 -11.225 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.548 21.445 -8.930 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.288 22.057 -8.542 1.00 1.65 C ATOM 1310 C GLN A 81 -2.270 20.989 -8.152 1.00 0.98 C ATOM 1311 O GLN A 81 -2.564 20.078 -7.369 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.513 23.035 -7.389 1.00 2.75 C ATOM 1313 CG GLN A 81 -2.548 24.210 -7.381 1.00 3.72 C ATOM 1314 CD GLN A 81 -2.549 24.970 -8.694 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -3.370 25.860 -8.912 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -1.603 24.652 -9.561 1.00 5.39 N ATOM 0 H GLN A 81 -5.210 21.307 -8.167 1.00 1.04 H new ATOM 0 HA GLN A 81 -2.890 22.609 -9.394 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -4.533 23.416 -7.442 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -3.422 22.496 -6.446 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -2.814 24.889 -6.571 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -1.541 23.848 -7.175 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -0.941 23.907 -9.343 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -1.535 25.151 -10.448 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.070 21.105 -8.704 1.00 0.84 N ATOM 1326 CA ASN A 82 -0.012 20.138 -8.445 1.00 0.71 C ATOM 1327 C ASN A 82 0.439 20.184 -6.998 1.00 0.59 C ATOM 1328 O ASN A 82 0.925 19.193 -6.467 1.00 0.56 O ATOM 1329 CB ASN A 82 1.183 20.368 -9.366 1.00 1.13 C ATOM 1330 CG ASN A 82 0.922 19.894 -10.778 1.00 1.74 C ATOM 1331 OD1 ASN A 82 0.511 20.668 -11.642 1.00 2.48 O ATOM 1332 ND2 ASN A 82 1.144 18.610 -11.016 1.00 2.28 N ATOM 0 H ASN A 82 -0.804 21.861 -9.335 1.00 0.84 H new ATOM 0 HA ASN A 82 -0.426 19.150 -8.647 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.427 21.430 -9.381 1.00 1.13 H new ATOM 0 HB3 ASN A 82 2.053 19.847 -8.966 1.00 1.13 H new ATOM 0 HD21 ASN A 82 0.974 18.227 -11.946 1.00 2.28 H new ATOM 0 HD22 ASN A 82 1.485 18.004 -10.269 1.00 2.28 H new ATOM 1339 N ARG A 83 0.286 21.334 -6.360 1.00 0.65 N ATOM 1340 CA ARG A 83 0.594 21.449 -4.942 1.00 0.63 C ATOM 1341 C ARG A 83 -0.261 20.466 -4.148 1.00 0.46 C ATOM 1342 O ARG A 83 0.216 19.835 -3.198 1.00 0.43 O ATOM 1343 CB ARG A 83 0.361 22.879 -4.450 1.00 0.81 C ATOM 1344 CG ARG A 83 0.934 23.142 -3.066 1.00 1.66 C ATOM 1345 CD ARG A 83 2.444 22.965 -3.057 1.00 2.10 C ATOM 1346 NE ARG A 83 3.030 23.240 -1.749 1.00 2.64 N ATOM 1347 CZ ARG A 83 4.340 23.359 -1.529 1.00 3.34 C ATOM 1348 NH1 ARG A 83 5.206 23.212 -2.526 1.00 3.68 N ATOM 1349 NH2 ARG A 83 4.787 23.624 -0.310 1.00 4.17 N ATOM 0 H ARG A 83 -0.046 22.194 -6.796 1.00 0.65 H new ATOM 0 HA ARG A 83 1.646 21.208 -4.791 1.00 0.63 H new ATOM 0 HB2 ARG A 83 0.808 23.577 -5.159 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -0.710 23.081 -4.436 1.00 0.81 H new ATOM 0 HG2 ARG A 83 0.681 24.154 -2.751 1.00 1.66 H new ATOM 0 HG3 ARG A 83 0.480 22.461 -2.346 1.00 1.66 H new ATOM 0 HD2 ARG A 83 2.689 21.945 -3.354 1.00 2.10 H new ATOM 0 HD3 ARG A 83 2.889 23.629 -3.798 1.00 2.10 H new ATOM 0 HE ARG A 83 2.399 23.348 -0.955 1.00 2.64 H new ATOM 0 HH11 ARG A 83 4.870 23.007 -3.467 1.00 3.68 H new ATOM 0 HH12 ARG A 83 6.206 23.304 -2.350 1.00 3.68 H new ATOM 0 HH21 ARG A 83 4.129 23.737 0.461 1.00 4.17 H new ATOM 0 HH22 ARG A 83 5.789 23.715 -0.143 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.519 20.320 -4.566 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.416 19.356 -3.954 1.00 0.38 C ATOM 1365 C ALA A 84 -1.854 17.969 -4.109 1.00 0.29 C ATOM 1366 O ALA A 84 -1.453 17.345 -3.124 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.808 19.415 -4.580 1.00 0.49 C ATOM 0 H ALA A 84 -1.934 20.860 -5.326 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.506 19.604 -2.897 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.455 18.681 -4.099 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.227 20.412 -4.443 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.738 19.194 -5.645 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.771 17.516 -5.356 1.00 0.25 N ATOM 1374 CA GLU A 85 -1.369 16.146 -5.633 1.00 0.26 C ATOM 1375 C GLU A 85 0.008 15.844 -5.072 1.00 0.28 C ATOM 1376 O GLU A 85 0.266 14.725 -4.645 1.00 0.34 O ATOM 1377 CB GLU A 85 -1.458 15.819 -7.125 1.00 0.34 C ATOM 1378 CG GLU A 85 -0.705 16.772 -8.052 1.00 0.49 C ATOM 1379 CD GLU A 85 0.744 16.386 -8.281 1.00 0.79 C ATOM 1380 OE1 GLU A 85 1.066 15.188 -8.176 1.00 1.31 O ATOM 1381 OE2 GLU A 85 1.563 17.278 -8.585 1.00 1.24 O ATOM 0 H GLU A 85 -1.976 18.075 -6.184 1.00 0.25 H new ATOM 0 HA GLU A 85 -2.076 15.493 -5.121 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -1.076 14.810 -7.282 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -2.508 15.811 -7.416 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -1.218 16.810 -9.013 1.00 0.49 H new ATOM 0 HG3 GLU A 85 -0.741 17.777 -7.632 1.00 0.49 H new ATOM 1388 N LEU A 86 0.869 16.851 -5.028 1.00 0.30 N ATOM 1389 CA LEU A 86 2.195 16.697 -4.454 1.00 0.36 C ATOM 1390 C LEU A 86 2.090 16.273 -2.992 1.00 0.28 C ATOM 1391 O LEU A 86 2.879 15.456 -2.509 1.00 0.28 O ATOM 1392 CB LEU A 86 2.973 18.010 -4.542 1.00 0.47 C ATOM 1393 CG LEU A 86 4.459 17.909 -4.194 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.189 17.046 -5.212 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.084 19.293 -4.119 1.00 1.47 C ATOM 0 H LEU A 86 0.670 17.786 -5.385 1.00 0.30 H new ATOM 0 HA LEU A 86 2.723 15.929 -5.019 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.879 18.403 -5.554 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.508 18.735 -3.874 1.00 0.47 H new ATOM 0 HG LEU A 86 4.552 17.437 -3.216 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.245 16.986 -4.948 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.758 16.045 -5.216 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.088 17.488 -6.203 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.141 19.202 -3.870 1.00 1.47 H new ATOM 0 HD22 LEU A 86 4.979 19.792 -5.082 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.580 19.879 -3.350 1.00 1.47 H new ATOM 1407 N LYS A 87 1.103 16.820 -2.294 1.00 0.24 N ATOM 1408 CA LYS A 87 0.912 16.492 -0.893 1.00 0.22 C ATOM 1409 C LYS A 87 0.429 15.046 -0.724 1.00 0.18 C ATOM 1410 O LYS A 87 0.936 14.326 0.133 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.052 17.472 -0.212 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.009 17.382 1.309 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.935 18.384 1.984 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.879 18.242 3.501 1.00 1.40 C ATOM 1415 NZ LYS A 87 -1.777 19.205 4.201 1.00 1.74 N ATOM 0 H LYS A 87 0.430 17.486 -2.673 1.00 0.24 H new ATOM 0 HA LYS A 87 1.881 16.585 -0.402 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.194 18.489 -0.518 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.067 17.273 -0.555 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.285 16.374 1.617 1.00 0.29 H new ATOM 0 HG3 LYS A 87 1.012 17.551 1.650 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.651 19.397 1.699 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.957 18.231 1.638 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.157 17.225 3.777 1.00 1.40 H new ATOM 0 HE3 LYS A 87 0.146 18.395 3.839 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -1.818 18.968 5.213 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -1.408 20.170 4.086 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -2.732 19.149 3.793 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.540 14.600 -1.526 1.00 0.19 N ATOM 1430 CA LEU A 88 -1.027 13.227 -1.355 1.00 0.21 C ATOM 1431 C LEU A 88 -0.045 12.168 -1.822 1.00 0.21 C ATOM 1432 O LEU A 88 0.014 11.097 -1.228 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.453 12.924 -1.881 1.00 0.30 C ATOM 1434 CG LEU A 88 -3.011 13.548 -3.172 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -3.077 15.051 -3.114 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -2.299 13.057 -4.405 1.00 1.33 C ATOM 0 H LEU A 88 -0.987 15.139 -2.268 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.111 13.166 -0.270 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.516 11.843 -2.006 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -3.143 13.193 -1.082 1.00 0.30 H new ATOM 0 HG LEU A 88 -4.041 13.201 -3.249 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -3.478 15.434 -4.052 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -3.724 15.355 -2.291 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -2.076 15.453 -2.956 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -2.732 13.528 -5.287 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -1.241 13.311 -4.340 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -2.408 11.975 -4.482 1.00 1.33 H new ATOM 1448 N LYS A 89 0.738 12.443 -2.851 1.00 0.26 N ATOM 1449 CA LYS A 89 1.699 11.451 -3.316 1.00 0.31 C ATOM 1450 C LYS A 89 2.821 11.238 -2.309 1.00 0.29 C ATOM 1451 O LYS A 89 3.259 10.114 -2.118 1.00 0.30 O ATOM 1452 CB LYS A 89 2.276 11.792 -4.687 1.00 0.41 C ATOM 1453 CG LYS A 89 2.657 13.245 -4.858 1.00 0.47 C ATOM 1454 CD LYS A 89 3.730 13.421 -5.907 1.00 0.90 C ATOM 1455 CE LYS A 89 3.457 12.607 -7.168 1.00 1.05 C ATOM 1456 NZ LYS A 89 2.125 12.896 -7.770 1.00 2.07 N ATOM 0 H LYS A 89 0.732 13.321 -3.371 1.00 0.26 H new ATOM 0 HA LYS A 89 1.143 10.519 -3.416 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.157 11.175 -4.861 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.546 11.528 -5.452 1.00 0.41 H new ATOM 0 HG2 LYS A 89 1.776 13.822 -5.138 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.009 13.643 -3.907 1.00 0.47 H new ATOM 0 HD2 LYS A 89 3.807 14.476 -6.170 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.693 13.126 -5.490 1.00 0.90 H new ATOM 0 HE2 LYS A 89 4.235 12.814 -7.903 1.00 1.05 H new ATOM 0 HE3 LYS A 89 3.519 11.545 -6.929 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 2.180 12.789 -8.803 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 1.421 12.231 -7.390 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 1.843 13.870 -7.537 1.00 2.07 H new ATOM 1470 N ARG A 90 3.277 12.298 -1.649 1.00 0.27 N ATOM 1471 CA ARG A 90 4.324 12.145 -0.639 1.00 0.30 C ATOM 1472 C ARG A 90 3.794 11.326 0.544 1.00 0.25 C ATOM 1473 O ARG A 90 4.476 10.443 1.076 1.00 0.28 O ATOM 1474 CB ARG A 90 4.838 13.518 -0.171 1.00 0.36 C ATOM 1475 CG ARG A 90 3.811 14.334 0.599 1.00 0.35 C ATOM 1476 CD ARG A 90 4.249 15.775 0.794 1.00 0.75 C ATOM 1477 NE ARG A 90 5.439 15.895 1.640 1.00 1.44 N ATOM 1478 CZ ARG A 90 6.557 16.519 1.270 1.00 1.98 C ATOM 1479 NH1 ARG A 90 6.676 17.001 0.038 1.00 2.10 N ATOM 1480 NH2 ARG A 90 7.562 16.645 2.126 1.00 2.93 N ATOM 0 H ARG A 90 2.948 13.253 -1.789 1.00 0.27 H new ATOM 0 HA ARG A 90 5.164 11.611 -1.084 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.716 13.371 0.458 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.162 14.089 -1.041 1.00 0.36 H new ATOM 0 HG2 ARG A 90 2.861 14.314 0.066 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.640 13.874 1.572 1.00 0.35 H new ATOM 0 HD2 ARG A 90 4.453 16.223 -0.178 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.432 16.341 1.241 1.00 0.75 H new ATOM 0 HE ARG A 90 5.410 15.475 2.569 1.00 1.44 H new ATOM 0 HH11 ARG A 90 5.911 16.894 -0.628 1.00 2.10 H new ATOM 0 HH12 ARG A 90 7.533 17.478 -0.242 1.00 2.10 H new ATOM 0 HH21 ARG A 90 7.480 16.264 3.069 1.00 2.93 H new ATOM 0 HH22 ARG A 90 8.417 17.123 1.842 1.00 2.93 H new ATOM 1494 N ALA A 91 2.550 11.599 0.917 1.00 0.22 N ATOM 1495 CA ALA A 91 1.900 10.892 2.007 1.00 0.23 C ATOM 1496 C ALA A 91 1.636 9.438 1.630 1.00 0.21 C ATOM 1497 O ALA A 91 1.918 8.517 2.398 1.00 0.24 O ATOM 1498 CB ALA A 91 0.599 11.585 2.363 1.00 0.26 C ATOM 0 H ALA A 91 1.969 12.311 0.475 1.00 0.22 H new ATOM 0 HA ALA A 91 2.562 10.903 2.873 1.00 0.23 H new ATOM 0 HB1 ALA A 91 0.115 11.052 3.181 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.805 12.610 2.670 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.059 11.592 1.494 1.00 0.26 H new ATOM 1504 N VAL A 92 1.095 9.243 0.437 1.00 0.18 N ATOM 1505 CA VAL A 92 0.793 7.915 -0.057 1.00 0.19 C ATOM 1506 C VAL A 92 2.079 7.123 -0.289 1.00 0.22 C ATOM 1507 O VAL A 92 2.082 5.898 -0.242 1.00 0.24 O ATOM 1508 CB VAL A 92 -0.051 7.971 -1.346 1.00 0.22 C ATOM 1509 CG1 VAL A 92 0.807 8.268 -2.562 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.830 6.680 -1.530 1.00 0.26 C ATOM 0 H VAL A 92 0.856 9.996 -0.208 1.00 0.18 H new ATOM 0 HA VAL A 92 0.202 7.404 0.703 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.763 8.790 -1.244 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.178 8.300 -3.452 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.301 9.231 -2.432 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.559 7.487 -2.677 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.420 6.738 -2.445 1.00 0.26 H new ATOM 0 HG22 VAL A 92 -0.136 5.843 -1.598 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.495 6.532 -0.679 1.00 0.26 H new ATOM 1520 N GLU A 93 3.166 7.827 -0.562 1.00 0.25 N ATOM 1521 CA GLU A 93 4.463 7.192 -0.673 1.00 0.31 C ATOM 1522 C GLU A 93 4.909 6.614 0.665 1.00 0.31 C ATOM 1523 O GLU A 93 5.645 5.630 0.712 1.00 0.33 O ATOM 1524 CB GLU A 93 5.497 8.165 -1.209 1.00 0.39 C ATOM 1525 CG GLU A 93 5.528 8.214 -2.726 1.00 0.71 C ATOM 1526 CD GLU A 93 6.801 8.820 -3.262 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.858 8.161 -3.202 1.00 1.63 O ATOM 1528 OE2 GLU A 93 6.747 9.980 -3.721 1.00 1.61 O ATOM 0 H GLU A 93 3.173 8.836 -0.710 1.00 0.25 H new ATOM 0 HA GLU A 93 4.371 6.368 -1.380 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.286 9.162 -0.822 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.482 7.881 -0.839 1.00 0.39 H new ATOM 0 HG2 GLU A 93 5.417 7.204 -3.121 1.00 0.71 H new ATOM 0 HG3 GLU A 93 4.676 8.792 -3.084 1.00 0.71 H new ATOM 1535 N GLU A 94 4.478 7.223 1.756 1.00 0.31 N ATOM 1536 CA GLU A 94 4.652 6.602 3.064 1.00 0.34 C ATOM 1537 C GLU A 94 3.781 5.350 3.185 1.00 0.29 C ATOM 1538 O GLU A 94 4.153 4.388 3.858 1.00 0.29 O ATOM 1539 CB GLU A 94 4.362 7.587 4.192 1.00 0.42 C ATOM 1540 CG GLU A 94 5.449 8.633 4.352 1.00 0.90 C ATOM 1541 CD GLU A 94 6.824 8.011 4.512 1.00 1.40 C ATOM 1542 OE1 GLU A 94 7.077 7.356 5.546 1.00 1.62 O ATOM 1543 OE2 GLU A 94 7.664 8.171 3.605 1.00 2.09 O ATOM 0 H GLU A 94 4.013 8.131 1.768 1.00 0.31 H new ATOM 0 HA GLU A 94 5.696 6.301 3.157 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.411 8.084 3.999 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.251 7.039 5.128 1.00 0.42 H new ATOM 0 HG2 GLU A 94 5.449 9.291 3.483 1.00 0.90 H new ATOM 0 HG3 GLU A 94 5.229 9.253 5.221 1.00 0.90 H new ATOM 1550 N VAL A 95 2.634 5.351 2.515 1.00 0.28 N ATOM 1551 CA VAL A 95 1.852 4.127 2.373 1.00 0.26 C ATOM 1552 C VAL A 95 2.634 3.116 1.551 1.00 0.25 C ATOM 1553 O VAL A 95 2.629 1.935 1.856 1.00 0.26 O ATOM 1554 CB VAL A 95 0.474 4.354 1.716 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.216 3.015 1.464 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.391 5.253 2.590 1.00 0.62 C ATOM 0 H VAL A 95 2.229 6.173 2.067 1.00 0.28 H new ATOM 0 HA VAL A 95 1.669 3.755 3.381 1.00 0.26 H new ATOM 0 HB VAL A 95 0.620 4.852 0.757 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.187 3.188 1.000 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.400 2.407 0.801 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.354 2.493 2.411 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.359 5.403 2.112 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.536 4.784 3.563 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.102 6.216 2.721 1.00 0.62 H new ATOM 1566 N LYS A 96 3.327 3.597 0.525 1.00 0.26 N ATOM 1567 CA LYS A 96 4.224 2.769 -0.267 1.00 0.30 C ATOM 1568 C LYS A 96 5.267 2.103 0.636 1.00 0.33 C ATOM 1569 O LYS A 96 5.736 0.999 0.365 1.00 0.39 O ATOM 1570 CB LYS A 96 4.887 3.639 -1.332 1.00 0.36 C ATOM 1571 CG LYS A 96 6.086 3.014 -2.009 1.00 0.88 C ATOM 1572 CD LYS A 96 6.944 4.091 -2.640 1.00 1.20 C ATOM 1573 CE LYS A 96 6.261 4.735 -3.838 1.00 1.69 C ATOM 1574 NZ LYS A 96 7.126 5.764 -4.481 1.00 2.00 N ATOM 0 H LYS A 96 3.282 4.570 0.221 1.00 0.26 H new ATOM 0 HA LYS A 96 3.662 1.975 -0.759 1.00 0.30 H new ATOM 0 HB2 LYS A 96 4.146 3.885 -2.093 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.196 4.578 -0.873 1.00 0.36 H new ATOM 0 HG2 LYS A 96 6.671 2.450 -1.283 1.00 0.88 H new ATOM 0 HG3 LYS A 96 5.757 2.307 -2.771 1.00 0.88 H new ATOM 0 HD2 LYS A 96 7.170 4.856 -1.897 1.00 1.20 H new ATOM 0 HD3 LYS A 96 7.895 3.660 -2.953 1.00 1.20 H new ATOM 0 HE2 LYS A 96 6.007 3.966 -4.568 1.00 1.69 H new ATOM 0 HE3 LYS A 96 5.325 5.194 -3.519 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 6.575 6.285 -5.193 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 7.473 6.427 -3.758 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 7.935 5.299 -4.941 1.00 2.00 H new ATOM 1588 N LYS A 97 5.610 2.788 1.719 1.00 0.33 N ATOM 1589 CA LYS A 97 6.551 2.272 2.699 1.00 0.39 C ATOM 1590 C LYS A 97 5.894 1.150 3.505 1.00 0.35 C ATOM 1591 O LYS A 97 6.554 0.209 3.945 1.00 0.45 O ATOM 1592 CB LYS A 97 6.980 3.404 3.637 1.00 0.49 C ATOM 1593 CG LYS A 97 8.293 3.167 4.366 1.00 1.09 C ATOM 1594 CD LYS A 97 9.482 3.282 3.428 1.00 1.89 C ATOM 1595 CE LYS A 97 9.570 4.666 2.791 1.00 2.76 C ATOM 1596 NZ LYS A 97 9.710 5.750 3.802 1.00 3.43 N ATOM 0 H LYS A 97 5.244 3.714 1.941 1.00 0.33 H new ATOM 0 HA LYS A 97 7.428 1.875 2.187 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.063 4.324 3.058 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.194 3.562 4.376 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.396 3.890 5.175 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.283 2.177 4.822 1.00 1.09 H new ATOM 0 HD2 LYS A 97 10.400 3.076 3.978 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.403 2.527 2.646 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.421 4.696 2.110 1.00 2.76 H new ATOM 0 HE3 LYS A 97 8.677 4.845 2.193 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 10.515 6.358 3.550 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 8.840 6.319 3.823 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 9.873 5.331 4.740 1.00 3.43 H new ATOM 1610 N LEU A 98 4.582 1.266 3.686 1.00 0.30 N ATOM 1611 CA LEU A 98 3.818 0.306 4.479 1.00 0.33 C ATOM 1612 C LEU A 98 3.272 -0.860 3.646 1.00 0.27 C ATOM 1613 O LEU A 98 3.226 -1.993 4.122 1.00 0.35 O ATOM 1614 CB LEU A 98 2.650 1.003 5.184 1.00 0.45 C ATOM 1615 CG LEU A 98 2.937 1.546 6.587 1.00 0.83 C ATOM 1616 CD1 LEU A 98 4.023 2.607 6.557 1.00 1.70 C ATOM 1617 CD2 LEU A 98 1.665 2.106 7.204 1.00 1.29 C ATOM 0 H LEU A 98 4.021 2.021 3.291 1.00 0.30 H new ATOM 0 HA LEU A 98 4.514 -0.105 5.210 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.316 1.830 4.558 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.821 0.299 5.252 1.00 0.45 H new ATOM 0 HG LEU A 98 3.295 0.720 7.202 1.00 0.83 H new ATOM 0 HD11 LEU A 98 4.203 2.972 7.568 1.00 1.70 H new ATOM 0 HD12 LEU A 98 4.941 2.176 6.158 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.705 3.435 5.924 1.00 1.70 H new ATOM 0 HD21 LEU A 98 1.882 2.489 8.201 1.00 1.29 H new ATOM 0 HD22 LEU A 98 1.283 2.914 6.580 1.00 1.29 H new ATOM 0 HD23 LEU A 98 0.916 1.317 7.274 1.00 1.29 H new ATOM 1629 N LEU A 99 2.872 -0.587 2.405 1.00 0.21 N ATOM 1630 CA LEU A 99 2.167 -1.568 1.574 1.00 0.22 C ATOM 1631 C LEU A 99 3.103 -2.652 1.059 1.00 0.25 C ATOM 1632 O LEU A 99 2.760 -3.405 0.156 1.00 0.43 O ATOM 1633 CB LEU A 99 1.430 -0.895 0.402 1.00 0.36 C ATOM 1634 CG LEU A 99 2.230 0.099 -0.452 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.346 -0.579 -1.230 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.306 0.836 -1.404 1.00 1.30 C ATOM 0 H LEU A 99 3.025 0.312 1.948 1.00 0.21 H new ATOM 0 HA LEU A 99 1.424 -2.042 2.216 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.054 -1.679 -0.255 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.562 -0.373 0.804 1.00 0.36 H new ATOM 0 HG LEU A 99 2.694 0.811 0.231 1.00 0.38 H new ATOM 0 HD11 LEU A 99 3.883 0.165 -1.819 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.035 -1.058 -0.535 1.00 1.29 H new ATOM 0 HD13 LEU A 99 2.921 -1.331 -1.895 1.00 1.29 H new ATOM 0 HD21 LEU A 99 1.886 1.538 -2.004 1.00 1.30 H new ATOM 0 HD22 LEU A 99 0.813 0.119 -2.060 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.555 1.381 -0.833 1.00 1.30 H new ATOM 1648 N VAL A 100 4.285 -2.722 1.629 1.00 0.32 N ATOM 1649 CA VAL A 100 5.221 -3.751 1.272 1.00 0.36 C ATOM 1650 C VAL A 100 4.887 -5.045 2.014 1.00 0.37 C ATOM 1651 O VAL A 100 4.523 -5.016 3.189 1.00 0.45 O ATOM 1652 CB VAL A 100 6.668 -3.316 1.580 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.053 -2.106 0.744 1.00 1.35 C ATOM 1654 CG2 VAL A 100 6.856 -3.024 3.063 1.00 1.29 C ATOM 0 H VAL A 100 4.617 -2.074 2.343 1.00 0.32 H new ATOM 0 HA VAL A 100 5.143 -3.926 0.199 1.00 0.36 H new ATOM 0 HB VAL A 100 7.327 -4.144 1.317 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.077 -1.815 0.976 1.00 1.35 H new ATOM 0 HG12 VAL A 100 6.978 -2.356 -0.314 1.00 1.35 H new ATOM 0 HG13 VAL A 100 6.380 -1.279 0.970 1.00 1.35 H new ATOM 0 HG21 VAL A 100 7.887 -2.720 3.246 1.00 1.29 H new ATOM 0 HG22 VAL A 100 6.182 -2.222 3.364 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.634 -3.921 3.641 1.00 1.29 H new ATOM 1664 N PRO A 101 4.987 -6.201 1.330 1.00 0.39 N ATOM 1665 CA PRO A 101 4.759 -7.525 1.942 1.00 0.49 C ATOM 1666 C PRO A 101 5.790 -7.854 3.013 1.00 0.65 C ATOM 1667 O PRO A 101 5.765 -8.935 3.608 1.00 0.88 O ATOM 1668 CB PRO A 101 4.888 -8.492 0.766 1.00 0.64 C ATOM 1669 CG PRO A 101 5.700 -7.751 -0.242 1.00 0.60 C ATOM 1670 CD PRO A 101 5.303 -6.312 -0.102 1.00 0.45 C ATOM 0 HA PRO A 101 3.795 -7.575 2.448 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.378 -9.418 1.066 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.911 -8.763 0.366 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.766 -7.883 -0.059 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.502 -8.116 -1.250 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.110 -5.639 -0.392 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.444 -6.066 -0.726 1.00 0.45 H new ATOM 1678 N ALA A 102 6.713 -6.922 3.199 1.00 0.68 N ATOM 1679 CA ALA A 102 7.688 -6.952 4.280 1.00 0.92 C ATOM 1680 C ALA A 102 8.815 -7.928 3.981 1.00 1.62 C ATOM 1681 O ALA A 102 9.905 -7.529 3.569 1.00 2.54 O ATOM 1682 CB ALA A 102 7.028 -7.251 5.625 1.00 1.15 C ATOM 0 H ALA A 102 6.807 -6.108 2.591 1.00 0.68 H new ATOM 0 HA ALA A 102 8.127 -5.957 4.351 1.00 0.92 H new ATOM 0 HB1 ALA A 102 7.787 -7.265 6.407 1.00 1.15 H new ATOM 0 HB2 ALA A 102 6.291 -6.479 5.848 1.00 1.15 H new ATOM 0 HB3 ALA A 102 6.535 -8.222 5.580 1.00 1.15 H new ATOM 1688 N ALA A 103 8.542 -9.198 4.169 1.00 1.90 N ATOM 1689 CA ALA A 103 9.520 -10.233 3.905 1.00 2.74 C ATOM 1690 C ALA A 103 8.844 -11.562 3.609 1.00 3.51 C ATOM 1691 O ALA A 103 8.428 -12.280 4.520 1.00 4.17 O ATOM 1692 CB ALA A 103 10.479 -10.372 5.076 1.00 3.15 C ATOM 0 H ALA A 103 7.644 -9.543 4.507 1.00 1.90 H new ATOM 0 HA ALA A 103 10.089 -9.941 3.023 1.00 2.74 H new ATOM 0 HB1 ALA A 103 11.207 -11.154 4.860 1.00 3.15 H new ATOM 0 HB2 ALA A 103 10.999 -9.427 5.235 1.00 3.15 H new ATOM 0 HB3 ALA A 103 9.921 -10.634 5.974 1.00 3.15 H new ATOM 1698 N GLU A 104 8.721 -11.873 2.328 1.00 3.92 N ATOM 1699 CA GLU A 104 8.174 -13.149 1.897 1.00 5.00 C ATOM 1700 C GLU A 104 9.027 -13.716 0.773 1.00 5.52 C ATOM 1701 O GLU A 104 9.210 -13.073 -0.265 1.00 5.64 O ATOM 1702 CB GLU A 104 6.720 -13.004 1.438 1.00 5.60 C ATOM 1703 CG GLU A 104 6.083 -14.325 1.035 1.00 6.47 C ATOM 1704 CD GLU A 104 4.587 -14.219 0.801 1.00 7.07 C ATOM 1705 OE1 GLU A 104 3.857 -13.858 1.752 1.00 7.30 O ATOM 1706 OE2 GLU A 104 4.123 -14.546 -0.310 1.00 7.55 O ATOM 0 H GLU A 104 8.995 -11.254 1.565 1.00 3.92 H new ATOM 0 HA GLU A 104 8.188 -13.834 2.745 1.00 5.00 H new ATOM 0 HB2 GLU A 104 6.135 -12.557 2.242 1.00 5.60 H new ATOM 0 HB3 GLU A 104 6.680 -12.316 0.593 1.00 5.60 H new ATOM 0 HG2 GLU A 104 6.562 -14.690 0.126 1.00 6.47 H new ATOM 0 HG3 GLU A 104 6.271 -15.064 1.813 1.00 6.47 H new ATOM 1713 N GLY A 105 9.566 -14.901 0.996 1.00 6.19 N ATOM 1714 CA GLY A 105 10.421 -15.524 0.011 1.00 7.00 C ATOM 1715 C GLY A 105 9.638 -16.197 -1.097 1.00 7.89 C ATOM 1716 O GLY A 105 9.333 -17.386 -1.014 1.00 8.70 O ATOM 0 H GLY A 105 9.426 -15.446 1.847 1.00 6.19 H new ATOM 0 HA2 GLY A 105 11.080 -14.771 -0.421 1.00 7.00 H new ATOM 0 HA3 GLY A 105 11.057 -16.261 0.501 1.00 7.00 H new ATOM 1720 N GLU A 106 9.327 -15.440 -2.143 1.00 7.96 N ATOM 1721 CA GLU A 106 8.601 -15.972 -3.289 1.00 8.97 C ATOM 1722 C GLU A 106 9.444 -16.997 -4.038 1.00 9.33 C ATOM 1723 O GLU A 106 8.911 -17.804 -4.797 1.00 9.43 O ATOM 1724 CB GLU A 106 8.189 -14.849 -4.245 1.00 9.46 C ATOM 1725 CG GLU A 106 7.055 -13.974 -3.729 1.00 9.55 C ATOM 1726 CD GLU A 106 6.601 -12.956 -4.759 1.00 10.47 C ATOM 1727 OE1 GLU A 106 6.105 -13.361 -5.831 1.00 10.82 O ATOM 1728 OE2 GLU A 106 6.717 -11.739 -4.488 1.00 10.99 O ATOM 0 H GLU A 106 9.568 -14.452 -2.220 1.00 7.96 H new ATOM 0 HA GLU A 106 7.703 -16.461 -2.911 1.00 8.97 H new ATOM 0 HB2 GLU A 106 9.057 -14.220 -4.444 1.00 9.46 H new ATOM 0 HB3 GLU A 106 7.889 -15.289 -5.196 1.00 9.46 H new ATOM 0 HG2 GLU A 106 6.211 -14.604 -3.448 1.00 9.55 H new ATOM 0 HG3 GLU A 106 7.380 -13.455 -2.827 1.00 9.55 H new ATOM 1735 N ASP A 107 10.756 -16.958 -3.802 1.00 9.76 N ATOM 1736 CA ASP A 107 11.714 -17.849 -4.464 1.00 10.43 C ATOM 1737 C ASP A 107 11.213 -19.287 -4.543 1.00 10.48 C ATOM 1738 O ASP A 107 10.908 -19.790 -5.624 1.00 11.15 O ATOM 1739 CB ASP A 107 13.058 -17.826 -3.733 1.00 10.67 C ATOM 1740 CG ASP A 107 14.075 -18.765 -4.358 1.00 11.41 C ATOM 1741 OD1 ASP A 107 14.801 -18.343 -5.287 1.00 11.98 O ATOM 1742 OD2 ASP A 107 14.163 -19.925 -3.917 1.00 11.57 O ATOM 0 H ASP A 107 11.187 -16.307 -3.145 1.00 9.76 H new ATOM 0 HA ASP A 107 11.834 -17.477 -5.482 1.00 10.43 H new ATOM 0 HB2 ASP A 107 13.454 -16.810 -3.739 1.00 10.67 H new ATOM 0 HB3 ASP A 107 12.906 -18.103 -2.690 1.00 10.67 H new ATOM 1747 N SER A 108 11.138 -19.949 -3.403 1.00 9.96 N ATOM 1748 CA SER A 108 10.721 -21.336 -3.355 1.00 10.24 C ATOM 1749 C SER A 108 9.207 -21.442 -3.431 1.00 10.41 C ATOM 1750 O SER A 108 8.678 -22.299 -4.130 1.00 11.07 O ATOM 1751 CB SER A 108 11.253 -21.981 -2.078 1.00 9.88 C ATOM 1752 OG SER A 108 11.154 -23.393 -2.123 1.00 10.00 O ATOM 0 H SER A 108 11.362 -19.545 -2.494 1.00 9.96 H new ATOM 0 HA SER A 108 11.132 -21.866 -4.214 1.00 10.24 H new ATOM 0 HB2 SER A 108 12.294 -21.694 -1.932 1.00 9.88 H new ATOM 0 HB3 SER A 108 10.695 -21.604 -1.221 1.00 9.88 H new ATOM 0 HG SER A 108 11.505 -23.772 -1.290 1.00 10.00 H new ATOM 1758 N LEU A 109 8.522 -20.537 -2.752 1.00 10.02 N ATOM 1759 CA LEU A 109 7.066 -20.586 -2.647 1.00 10.41 C ATOM 1760 C LEU A 109 6.396 -20.561 -4.020 1.00 11.26 C ATOM 1761 O LEU A 109 5.425 -21.280 -4.254 1.00 11.94 O ATOM 1762 CB LEU A 109 6.550 -19.425 -1.796 1.00 10.12 C ATOM 1763 CG LEU A 109 7.072 -19.389 -0.356 1.00 9.48 C ATOM 1764 CD1 LEU A 109 6.456 -18.230 0.405 1.00 9.47 C ATOM 1765 CD2 LEU A 109 6.788 -20.702 0.355 1.00 9.65 C ATOM 0 H LEU A 109 8.951 -19.753 -2.261 1.00 10.02 H new ATOM 0 HA LEU A 109 6.809 -21.529 -2.165 1.00 10.41 H new ATOM 0 HB2 LEU A 109 6.818 -18.489 -2.286 1.00 10.12 H new ATOM 0 HB3 LEU A 109 5.461 -19.471 -1.770 1.00 10.12 H new ATOM 0 HG LEU A 109 8.152 -19.246 -0.390 1.00 9.48 H new ATOM 0 HD11 LEU A 109 6.839 -18.221 1.426 1.00 9.47 H new ATOM 0 HD12 LEU A 109 6.714 -17.293 -0.088 1.00 9.47 H new ATOM 0 HD13 LEU A 109 5.372 -18.343 0.425 1.00 9.47 H new ATOM 0 HD21 LEU A 109 7.168 -20.653 1.376 1.00 9.65 H new ATOM 0 HD22 LEU A 109 5.713 -20.879 0.376 1.00 9.65 H new ATOM 0 HD23 LEU A 109 7.280 -21.517 -0.176 1.00 9.65 H new ATOM 1777 N LYS A 110 6.924 -19.750 -4.929 1.00 11.40 N ATOM 1778 CA LYS A 110 6.333 -19.607 -6.253 1.00 12.34 C ATOM 1779 C LYS A 110 6.524 -20.877 -7.077 1.00 12.93 C ATOM 1780 O LYS A 110 5.554 -21.467 -7.546 1.00 13.70 O ATOM 1781 CB LYS A 110 6.930 -18.406 -6.989 1.00 12.53 C ATOM 1782 CG LYS A 110 5.884 -17.467 -7.573 1.00 12.99 C ATOM 1783 CD LYS A 110 4.958 -16.934 -6.490 1.00 13.18 C ATOM 1784 CE LYS A 110 3.936 -15.955 -7.048 1.00 13.26 C ATOM 1785 NZ LYS A 110 4.574 -14.726 -7.588 1.00 13.83 N ATOM 0 H LYS A 110 7.758 -19.183 -4.774 1.00 11.40 H new ATOM 0 HA LYS A 110 5.264 -19.438 -6.123 1.00 12.34 H new ATOM 0 HB2 LYS A 110 7.564 -17.847 -6.301 1.00 12.53 H new ATOM 0 HB3 LYS A 110 7.572 -18.766 -7.793 1.00 12.53 H new ATOM 0 HG2 LYS A 110 6.378 -16.635 -8.075 1.00 12.99 H new ATOM 0 HG3 LYS A 110 5.300 -17.993 -8.328 1.00 12.99 H new ATOM 0 HD2 LYS A 110 4.440 -17.766 -6.013 1.00 13.18 H new ATOM 0 HD3 LYS A 110 5.549 -16.441 -5.718 1.00 13.18 H new ATOM 0 HE2 LYS A 110 3.362 -16.441 -7.837 1.00 13.26 H new ATOM 0 HE3 LYS A 110 3.231 -15.682 -6.263 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 3.903 -13.933 -7.531 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 5.423 -14.502 -7.031 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 4.843 -14.882 -8.581 1.00 13.83 H new ATOM 1799 N LYS A 111 7.772 -21.306 -7.243 1.00 12.70 N ATOM 1800 CA LYS A 111 8.057 -22.495 -8.039 1.00 13.45 C ATOM 1801 C LYS A 111 7.513 -23.764 -7.379 1.00 13.69 C ATOM 1802 O LYS A 111 7.242 -24.751 -8.060 1.00 14.58 O ATOM 1803 CB LYS A 111 9.559 -22.634 -8.341 1.00 13.35 C ATOM 1804 CG LYS A 111 10.478 -22.536 -7.131 1.00 13.65 C ATOM 1805 CD LYS A 111 11.912 -22.892 -7.507 1.00 14.12 C ATOM 1806 CE LYS A 111 12.900 -22.590 -6.387 1.00 14.42 C ATOM 1807 NZ LYS A 111 13.216 -21.138 -6.293 1.00 14.52 N ATOM 0 H LYS A 111 8.594 -20.854 -6.842 1.00 12.70 H new ATOM 0 HA LYS A 111 7.539 -22.368 -8.989 1.00 13.45 H new ATOM 0 HB2 LYS A 111 9.728 -23.595 -8.828 1.00 13.35 H new ATOM 0 HB3 LYS A 111 9.842 -21.861 -9.055 1.00 13.35 H new ATOM 0 HG2 LYS A 111 10.445 -21.525 -6.725 1.00 13.65 H new ATOM 0 HG3 LYS A 111 10.126 -23.206 -6.347 1.00 13.65 H new ATOM 0 HD2 LYS A 111 11.966 -23.951 -7.759 1.00 14.12 H new ATOM 0 HD3 LYS A 111 12.199 -22.337 -8.400 1.00 14.12 H new ATOM 0 HE2 LYS A 111 12.487 -22.932 -5.438 1.00 14.42 H new ATOM 0 HE3 LYS A 111 13.820 -23.150 -6.555 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 13.693 -20.944 -5.389 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 13.840 -20.867 -7.079 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 12.335 -20.587 -6.345 1.00 14.52 H new ATOM 1821 N MET A 112 7.345 -23.747 -6.060 1.00 13.03 N ATOM 1822 CA MET A 112 6.739 -24.881 -5.373 1.00 13.43 C ATOM 1823 C MET A 112 5.231 -24.892 -5.567 1.00 13.93 C ATOM 1824 O MET A 112 4.610 -25.948 -5.564 1.00 14.71 O ATOM 1825 CB MET A 112 7.086 -24.899 -3.885 1.00 12.78 C ATOM 1826 CG MET A 112 8.524 -25.305 -3.610 1.00 12.65 C ATOM 1827 SD MET A 112 8.840 -25.617 -1.860 1.00 12.08 S ATOM 1828 CE MET A 112 8.189 -24.126 -1.107 1.00 12.60 C ATOM 0 H MET A 112 7.616 -22.973 -5.454 1.00 13.03 H new ATOM 0 HA MET A 112 7.155 -25.784 -5.819 1.00 13.43 H new ATOM 0 HB2 MET A 112 6.908 -23.909 -3.465 1.00 12.78 H new ATOM 0 HB3 MET A 112 6.416 -25.588 -3.371 1.00 12.78 H new ATOM 0 HG2 MET A 112 8.759 -26.202 -4.183 1.00 12.65 H new ATOM 0 HG3 MET A 112 9.192 -24.519 -3.961 1.00 12.65 H new ATOM 0 HE1 MET A 112 8.427 -24.122 -0.043 1.00 12.60 H new ATOM 0 HE2 MET A 112 8.636 -23.253 -1.582 1.00 12.60 H new ATOM 0 HE3 MET A 112 7.107 -24.095 -1.237 1.00 12.60 H new ATOM 1838 N LYS A 113 4.645 -23.719 -5.744 1.00 13.65 N ATOM 1839 CA LYS A 113 3.221 -23.628 -6.025 1.00 14.28 C ATOM 1840 C LYS A 113 2.965 -24.098 -7.452 1.00 15.23 C ATOM 1841 O LYS A 113 1.983 -24.776 -7.736 1.00 16.03 O ATOM 1842 CB LYS A 113 2.750 -22.173 -5.842 1.00 13.94 C ATOM 1843 CG LYS A 113 1.259 -21.992 -5.556 1.00 14.60 C ATOM 1844 CD LYS A 113 0.379 -22.214 -6.781 1.00 15.23 C ATOM 1845 CE LYS A 113 -0.353 -23.551 -6.723 1.00 16.15 C ATOM 1846 NZ LYS A 113 -1.196 -23.677 -5.504 1.00 16.72 N ATOM 0 H LYS A 113 5.129 -22.822 -5.699 1.00 13.65 H new ATOM 0 HA LYS A 113 2.663 -24.262 -5.336 1.00 14.28 H new ATOM 0 HB2 LYS A 113 3.315 -21.727 -5.024 1.00 13.94 H new ATOM 0 HB3 LYS A 113 2.999 -21.613 -6.743 1.00 13.94 H new ATOM 0 HG2 LYS A 113 0.960 -22.687 -4.771 1.00 14.60 H new ATOM 0 HG3 LYS A 113 1.089 -20.986 -5.173 1.00 14.60 H new ATOM 0 HD2 LYS A 113 -0.348 -21.405 -6.857 1.00 15.23 H new ATOM 0 HD3 LYS A 113 0.993 -22.176 -7.681 1.00 15.23 H new ATOM 0 HE2 LYS A 113 -0.979 -23.659 -7.609 1.00 16.15 H new ATOM 0 HE3 LYS A 113 0.374 -24.363 -6.746 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 -2.015 -24.284 -5.710 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 -0.636 -24.100 -4.737 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 -1.527 -22.735 -5.212 1.00 16.72 H new ATOM 1860 N LEU A 114 3.889 -23.784 -8.340 1.00 15.27 N ATOM 1861 CA LEU A 114 3.714 -24.092 -9.745 1.00 16.25 C ATOM 1862 C LEU A 114 4.170 -25.512 -10.072 1.00 16.89 C ATOM 1863 O LEU A 114 3.361 -26.369 -10.421 1.00 17.72 O ATOM 1864 CB LEU A 114 4.482 -23.085 -10.615 1.00 16.24 C ATOM 1865 CG LEU A 114 3.770 -21.757 -10.919 1.00 16.63 C ATOM 1866 CD1 LEU A 114 2.578 -21.984 -11.840 1.00 17.08 C ATOM 1867 CD2 LEU A 114 3.324 -21.055 -9.644 1.00 16.95 C ATOM 0 H LEU A 114 4.767 -23.317 -8.113 1.00 15.27 H new ATOM 0 HA LEU A 114 2.649 -24.020 -9.964 1.00 16.25 H new ATOM 0 HB2 LEU A 114 5.428 -22.860 -10.122 1.00 16.24 H new ATOM 0 HB3 LEU A 114 4.723 -23.567 -11.562 1.00 16.24 H new ATOM 0 HG LEU A 114 4.488 -21.110 -11.424 1.00 16.63 H new ATOM 0 HD11 LEU A 114 2.088 -21.032 -12.043 1.00 17.08 H new ATOM 0 HD12 LEU A 114 2.921 -22.422 -12.777 1.00 17.08 H new ATOM 0 HD13 LEU A 114 1.871 -22.661 -11.360 1.00 17.08 H new ATOM 0 HD21 LEU A 114 2.825 -20.120 -9.899 1.00 16.95 H new ATOM 0 HD22 LEU A 114 2.634 -21.698 -9.097 1.00 16.95 H new ATOM 0 HD23 LEU A 114 4.194 -20.844 -9.022 1.00 16.95 H new ATOM 1879 N MET A 115 5.463 -25.764 -9.927 1.00 16.60 N ATOM 1880 CA MET A 115 6.048 -27.026 -10.363 1.00 17.37 C ATOM 1881 C MET A 115 6.092 -28.052 -9.238 1.00 17.30 C ATOM 1882 O MET A 115 5.613 -29.173 -9.403 1.00 18.16 O ATOM 1883 CB MET A 115 7.457 -26.789 -10.904 1.00 17.40 C ATOM 1884 CG MET A 115 8.186 -28.062 -11.305 1.00 18.36 C ATOM 1885 SD MET A 115 9.854 -27.743 -11.908 1.00 18.37 S ATOM 1886 CE MET A 115 10.554 -26.862 -10.512 1.00 17.17 C ATOM 0 H MET A 115 6.128 -25.112 -9.511 1.00 16.60 H new ATOM 0 HA MET A 115 5.413 -27.427 -11.153 1.00 17.37 H new ATOM 0 HB2 MET A 115 7.397 -26.129 -11.769 1.00 17.40 H new ATOM 0 HB3 MET A 115 8.044 -26.269 -10.146 1.00 17.40 H new ATOM 0 HG2 MET A 115 8.235 -28.734 -10.448 1.00 18.36 H new ATOM 0 HG3 MET A 115 7.615 -28.575 -12.079 1.00 18.36 H new ATOM 0 HE1 MET A 115 11.588 -27.175 -10.366 1.00 17.17 H new ATOM 0 HE2 MET A 115 10.523 -25.790 -10.706 1.00 17.17 H new ATOM 0 HE3 MET A 115 9.977 -27.085 -9.615 1.00 17.17 H new ATOM 1896 N GLU A 116 6.643 -27.659 -8.092 1.00 16.38 N ATOM 1897 CA GLU A 116 6.834 -28.585 -6.976 1.00 16.41 C ATOM 1898 C GLU A 116 5.500 -29.087 -6.427 1.00 16.77 C ATOM 1899 O GLU A 116 5.451 -30.062 -5.675 1.00 17.19 O ATOM 1900 CB GLU A 116 7.645 -27.923 -5.866 1.00 15.41 C ATOM 1901 CG GLU A 116 9.045 -27.512 -6.295 1.00 15.12 C ATOM 1902 CD GLU A 116 9.909 -28.691 -6.695 1.00 15.91 C ATOM 1903 OE1 GLU A 116 10.271 -29.496 -5.813 1.00 16.27 O ATOM 1904 OE2 GLU A 116 10.229 -28.823 -7.895 1.00 16.29 O ATOM 0 H GLU A 116 6.965 -26.708 -7.911 1.00 16.38 H new ATOM 0 HA GLU A 116 7.385 -29.446 -7.354 1.00 16.41 H new ATOM 0 HB2 GLU A 116 7.109 -27.042 -5.513 1.00 15.41 H new ATOM 0 HB3 GLU A 116 7.720 -28.610 -5.023 1.00 15.41 H new ATOM 0 HG2 GLU A 116 8.974 -26.819 -7.133 1.00 15.12 H new ATOM 0 HG3 GLU A 116 9.527 -26.975 -5.478 1.00 15.12 H new ATOM 1911 N LEU A 117 4.427 -28.406 -6.800 1.00 16.72 N ATOM 1912 CA LEU A 117 3.083 -28.778 -6.381 1.00 17.21 C ATOM 1913 C LEU A 117 2.674 -30.072 -7.074 1.00 18.39 C ATOM 1914 O LEU A 117 2.352 -31.070 -6.427 1.00 18.98 O ATOM 1915 CB LEU A 117 2.111 -27.644 -6.735 1.00 17.03 C ATOM 1916 CG LEU A 117 0.836 -27.529 -5.884 1.00 17.18 C ATOM 1917 CD1 LEU A 117 -0.109 -28.692 -6.139 1.00 18.26 C ATOM 1918 CD2 LEU A 117 1.188 -27.445 -4.409 1.00 16.60 C ATOM 0 H LEU A 117 4.462 -27.582 -7.400 1.00 16.72 H new ATOM 0 HA LEU A 117 3.059 -28.939 -5.303 1.00 17.21 H new ATOM 0 HB2 LEU A 117 2.651 -26.700 -6.665 1.00 17.03 H new ATOM 0 HB3 LEU A 117 1.814 -27.765 -7.777 1.00 17.03 H new ATOM 0 HG LEU A 117 0.323 -26.613 -6.176 1.00 17.18 H new ATOM 0 HD11 LEU A 117 -1.000 -28.579 -5.521 1.00 18.26 H new ATOM 0 HD12 LEU A 117 -0.396 -28.704 -7.191 1.00 18.26 H new ATOM 0 HD13 LEU A 117 0.390 -29.628 -5.888 1.00 18.26 H new ATOM 0 HD21 LEU A 117 0.274 -27.364 -3.821 1.00 16.60 H new ATOM 0 HD22 LEU A 117 1.732 -28.342 -4.113 1.00 16.60 H new ATOM 0 HD23 LEU A 117 1.811 -26.568 -4.233 1.00 16.60 H new ATOM 1930 N ALA A 118 2.700 -30.025 -8.399 1.00 18.81 N ATOM 1931 CA ALA A 118 2.384 -31.162 -9.252 1.00 19.94 C ATOM 1932 C ALA A 118 2.515 -30.743 -10.707 1.00 20.25 C ATOM 1933 O ALA A 118 2.152 -31.487 -11.618 1.00 20.88 O ATOM 1934 CB ALA A 118 0.975 -31.685 -8.984 1.00 20.42 C ATOM 0 H ALA A 118 2.945 -29.183 -8.919 1.00 18.81 H new ATOM 0 HA ALA A 118 3.084 -31.968 -9.031 1.00 19.94 H new ATOM 0 HB1 ALA A 118 0.771 -32.533 -9.637 1.00 20.42 H new ATOM 0 HB2 ALA A 118 0.896 -32.001 -7.944 1.00 20.42 H new ATOM 0 HB3 ALA A 118 0.250 -30.895 -9.179 1.00 20.42 H new ATOM 1940 N ILE A 119 3.081 -29.549 -10.905 1.00 19.90 N ATOM 1941 CA ILE A 119 3.108 -28.876 -12.199 1.00 20.25 C ATOM 1942 C ILE A 119 1.686 -28.584 -12.687 1.00 21.12 C ATOM 1943 O ILE A 119 1.231 -27.440 -12.653 1.00 21.13 O ATOM 1944 CB ILE A 119 3.882 -29.672 -13.267 1.00 20.40 C ATOM 1945 CG1 ILE A 119 5.203 -30.193 -12.695 1.00 20.16 C ATOM 1946 CG2 ILE A 119 4.148 -28.769 -14.461 1.00 20.03 C ATOM 1947 CD1 ILE A 119 5.969 -31.094 -13.642 1.00 20.59 C ATOM 0 H ILE A 119 3.537 -29.020 -10.161 1.00 19.90 H new ATOM 0 HA ILE A 119 3.639 -27.936 -12.050 1.00 20.25 H new ATOM 0 HB ILE A 119 3.286 -30.529 -13.580 1.00 20.40 H new ATOM 0 HG12 ILE A 119 5.832 -29.344 -12.428 1.00 20.16 H new ATOM 0 HG13 ILE A 119 4.999 -30.740 -11.774 1.00 20.16 H new ATOM 0 HG21 ILE A 119 4.696 -29.324 -15.222 1.00 20.03 H new ATOM 0 HG22 ILE A 119 3.200 -28.424 -14.875 1.00 20.03 H new ATOM 0 HG23 ILE A 119 4.739 -27.910 -14.143 1.00 20.03 H new ATOM 0 HD11 ILE A 119 6.893 -31.422 -13.165 1.00 20.59 H new ATOM 0 HD12 ILE A 119 5.360 -31.963 -13.890 1.00 20.59 H new ATOM 0 HD13 ILE A 119 6.206 -30.546 -14.554 1.00 20.59 H new ATOM 1959 N LEU A 120 0.975 -29.621 -13.104 1.00 21.92 N ATOM 1960 CA LEU A 120 -0.402 -29.478 -13.539 1.00 22.85 C ATOM 1961 C LEU A 120 -1.327 -29.520 -12.334 1.00 23.12 C ATOM 1962 O LEU A 120 -2.024 -30.501 -12.099 1.00 23.32 O ATOM 1963 CB LEU A 120 -0.790 -30.571 -14.545 1.00 23.66 C ATOM 1964 CG LEU A 120 -0.135 -30.471 -15.924 1.00 23.95 C ATOM 1965 CD1 LEU A 120 -0.271 -29.061 -16.474 1.00 23.98 C ATOM 1966 CD2 LEU A 120 1.328 -30.894 -15.870 1.00 23.52 C ATOM 0 H LEU A 120 1.333 -30.575 -13.150 1.00 21.92 H new ATOM 0 HA LEU A 120 -0.502 -28.516 -14.041 1.00 22.85 H new ATOM 0 HB2 LEU A 120 -0.539 -31.540 -14.114 1.00 23.66 H new ATOM 0 HB3 LEU A 120 -1.872 -30.551 -14.675 1.00 23.66 H new ATOM 0 HG LEU A 120 -0.653 -31.155 -16.596 1.00 23.95 H new ATOM 0 HD11 LEU A 120 0.200 -29.006 -17.455 1.00 23.98 H new ATOM 0 HD12 LEU A 120 -1.327 -28.806 -16.563 1.00 23.98 H new ATOM 0 HD13 LEU A 120 0.216 -28.358 -15.798 1.00 23.98 H new ATOM 0 HD21 LEU A 120 1.767 -30.813 -16.864 1.00 23.52 H new ATOM 0 HD22 LEU A 120 1.869 -30.246 -15.180 1.00 23.52 H new ATOM 0 HD23 LEU A 120 1.396 -31.926 -15.527 1.00 23.52 H new ATOM 1978 N ASN A 121 -1.304 -28.444 -11.563 1.00 23.21 N ATOM 1979 CA ASN A 121 -2.079 -28.357 -10.330 1.00 23.56 C ATOM 1980 C ASN A 121 -3.509 -27.905 -10.608 1.00 24.31 C ATOM 1981 O ASN A 121 -4.305 -27.722 -9.691 1.00 24.76 O ATOM 1982 CB ASN A 121 -1.409 -27.388 -9.351 1.00 23.18 C ATOM 1983 CG ASN A 121 -1.456 -25.943 -9.822 1.00 23.09 C ATOM 1984 OD1 ASN A 121 -2.393 -25.209 -9.516 1.00 23.47 O ATOM 1985 ND2 ASN A 121 -0.445 -25.521 -10.570 1.00 22.69 N ATOM 0 H ASN A 121 -0.753 -27.611 -11.770 1.00 23.21 H new ATOM 0 HA ASN A 121 -2.115 -29.352 -9.886 1.00 23.56 H new ATOM 0 HB2 ASN A 121 -1.899 -27.464 -8.380 1.00 23.18 H new ATOM 0 HB3 ASN A 121 -0.370 -27.685 -9.208 1.00 23.18 H new ATOM 0 HD21 ASN A 121 -0.429 -24.560 -10.910 1.00 22.69 H new ATOM 0 HD22 ASN A 121 0.316 -26.158 -10.805 1.00 22.69 H new ATOM 1992 N GLY A 122 -3.825 -27.729 -11.880 1.00 24.55 N ATOM 1993 CA GLY A 122 -5.147 -27.275 -12.260 1.00 25.33 C ATOM 1994 C GLY A 122 -5.094 -26.028 -13.112 1.00 25.47 C ATOM 1995 O GLY A 122 -6.001 -25.770 -13.897 1.00 26.12 O ATOM 0 H GLY A 122 -3.188 -27.893 -12.660 1.00 24.55 H new ATOM 0 HA2 GLY A 122 -5.659 -28.067 -12.807 1.00 25.33 H new ATOM 0 HA3 GLY A 122 -5.734 -27.077 -11.363 1.00 25.33 H new ATOM 1999 N THR A 123 -4.020 -25.262 -12.960 1.00 24.93 N ATOM 2000 CA THR A 123 -3.827 -24.037 -13.726 1.00 25.12 C ATOM 2001 C THR A 123 -3.888 -24.311 -15.230 1.00 25.36 C ATOM 2002 O THR A 123 -4.597 -23.628 -15.968 1.00 25.90 O ATOM 2003 CB THR A 123 -2.474 -23.398 -13.367 1.00 24.51 C ATOM 2004 OG1 THR A 123 -2.358 -23.287 -11.944 1.00 24.32 O ATOM 2005 CG2 THR A 123 -2.322 -22.022 -14.000 1.00 24.86 C ATOM 0 H THR A 123 -3.264 -25.470 -12.308 1.00 24.93 H new ATOM 0 HA THR A 123 -4.633 -23.349 -13.471 1.00 25.12 H new ATOM 0 HB THR A 123 -1.683 -24.039 -13.757 1.00 24.51 H new ATOM 0 HG1 THR A 123 -1.495 -22.882 -11.717 1.00 24.32 H new ATOM 0 HG21 THR A 123 -1.355 -21.600 -13.726 1.00 24.86 H new ATOM 0 HG22 THR A 123 -2.384 -22.112 -15.085 1.00 24.86 H new ATOM 0 HG23 THR A 123 -3.118 -21.368 -13.644 1.00 24.86 H new ATOM 2013 N TYR A 124 -3.148 -25.318 -15.676 1.00 25.05 N ATOM 2014 CA TYR A 124 -3.144 -25.692 -17.087 1.00 25.37 C ATOM 2015 C TYR A 124 -3.942 -26.970 -17.312 1.00 25.65 C ATOM 2016 O TYR A 124 -4.772 -27.031 -18.215 1.00 25.59 O ATOM 2017 CB TYR A 124 -1.709 -25.854 -17.590 1.00 25.19 C ATOM 2018 CG TYR A 124 -0.930 -24.557 -17.569 1.00 25.19 C ATOM 2019 CD1 TYR A 124 -1.081 -23.615 -18.579 1.00 25.09 C ATOM 2020 CD2 TYR A 124 -0.031 -24.286 -16.547 1.00 25.38 C ATOM 2021 CE1 TYR A 124 -0.356 -22.440 -18.571 1.00 25.20 C ATOM 2022 CE2 TYR A 124 0.694 -23.111 -16.531 1.00 25.49 C ATOM 2023 CZ TYR A 124 0.467 -22.156 -17.518 1.00 25.41 C ATOM 2024 OH TYR A 124 1.262 -21.028 -17.536 1.00 25.62 O ATOM 0 H TYR A 124 -2.544 -25.889 -15.085 1.00 25.05 H new ATOM 0 HA TYR A 124 -3.621 -24.894 -17.655 1.00 25.37 H new ATOM 0 HB2 TYR A 124 -1.194 -26.592 -16.974 1.00 25.19 H new ATOM 0 HB3 TYR A 124 -1.727 -26.245 -18.607 1.00 25.19 H new ATOM 0 HD1 TYR A 124 -1.777 -23.805 -19.383 1.00 25.09 H new ATOM 0 HD2 TYR A 124 0.104 -25.005 -15.752 1.00 25.38 H new ATOM 0 HE1 TYR A 124 -0.439 -21.747 -19.395 1.00 25.20 H new ATOM 0 HE2 TYR A 124 1.430 -22.935 -15.760 1.00 25.49 H new ATOM 0 HH TYR A 124 1.782 -20.981 -16.707 1.00 25.62 H new ATOM 2034 N ARG A 125 -3.669 -27.983 -16.484 1.00 26.04 N ATOM 2035 CA ARG A 125 -4.405 -29.260 -16.494 1.00 26.48 C ATOM 2036 C ARG A 125 -4.091 -30.113 -17.729 1.00 26.87 C ATOM 2037 O ARG A 125 -3.705 -31.269 -17.595 1.00 27.16 O ATOM 2038 CB ARG A 125 -5.923 -29.028 -16.385 1.00 27.04 C ATOM 2039 CG ARG A 125 -6.757 -30.298 -16.523 1.00 27.29 C ATOM 2040 CD ARG A 125 -6.522 -31.262 -15.368 1.00 27.33 C ATOM 2041 NE ARG A 125 -7.184 -30.830 -14.136 1.00 27.77 N ATOM 2042 CZ ARG A 125 -6.598 -30.782 -12.938 1.00 27.96 C ATOM 2043 NH1 ARG A 125 -5.310 -31.080 -12.808 1.00 27.74 N ATOM 2044 NH2 ARG A 125 -7.307 -30.431 -11.871 1.00 28.45 N ATOM 0 H ARG A 125 -2.929 -27.944 -15.783 1.00 26.04 H new ATOM 0 HA ARG A 125 -4.066 -29.814 -15.619 1.00 26.48 H new ATOM 0 HB2 ARG A 125 -6.141 -28.565 -15.422 1.00 27.04 H new ATOM 0 HB3 ARG A 125 -6.228 -28.320 -17.155 1.00 27.04 H new ATOM 0 HG2 ARG A 125 -7.814 -30.035 -16.567 1.00 27.29 H new ATOM 0 HG3 ARG A 125 -6.513 -30.792 -17.463 1.00 27.29 H new ATOM 0 HD2 ARG A 125 -6.886 -32.252 -15.645 1.00 27.33 H new ATOM 0 HD3 ARG A 125 -5.451 -31.355 -15.188 1.00 27.33 H new ATOM 0 HE ARG A 125 -8.162 -30.546 -14.197 1.00 27.77 H new ATOM 0 HH11 ARG A 125 -4.763 -31.347 -13.627 1.00 27.74 H new ATOM 0 HH12 ARG A 125 -4.868 -31.041 -11.890 1.00 27.74 H new ATOM 0 HH21 ARG A 125 -8.296 -30.199 -11.969 1.00 28.45 H new ATOM 0 HH22 ARG A 125 -6.863 -30.393 -10.954 1.00 28.45 H new ATOM 2058 N ASP A 126 -4.246 -29.530 -18.914 1.00 26.97 N ATOM 2059 CA ASP A 126 -4.164 -30.264 -20.184 1.00 27.44 C ATOM 2060 C ASP A 126 -2.870 -31.060 -20.348 1.00 27.02 C ATOM 2061 O ASP A 126 -2.892 -32.161 -20.905 1.00 27.36 O ATOM 2062 CB ASP A 126 -4.327 -29.299 -21.360 1.00 27.72 C ATOM 2063 CG ASP A 126 -4.060 -29.966 -22.695 1.00 27.85 C ATOM 2064 OD1 ASP A 126 -4.915 -30.756 -23.154 1.00 27.59 O ATOM 2065 OD2 ASP A 126 -2.993 -29.700 -23.292 1.00 28.27 O ATOM 0 H ASP A 126 -4.433 -28.534 -19.027 1.00 26.97 H new ATOM 0 HA ASP A 126 -4.978 -30.989 -20.170 1.00 27.44 H new ATOM 0 HB2 ASP A 126 -5.338 -28.893 -21.356 1.00 27.72 H new ATOM 0 HB3 ASP A 126 -3.645 -28.458 -21.234 1.00 27.72 H new ATOM 2070 N ALA A 127 -1.755 -30.530 -19.850 1.00 26.35 N ATOM 2071 CA ALA A 127 -0.467 -31.217 -19.966 1.00 25.95 C ATOM 2072 C ALA A 127 -0.451 -32.528 -19.174 1.00 25.77 C ATOM 2073 O ALA A 127 0.550 -33.246 -19.158 1.00 25.47 O ATOM 2074 CB ALA A 127 0.663 -30.310 -19.515 1.00 25.25 C ATOM 0 H ALA A 127 -1.715 -29.633 -19.365 1.00 26.35 H new ATOM 0 HA ALA A 127 -0.321 -31.465 -21.017 1.00 25.95 H new ATOM 0 HB1 ALA A 127 1.612 -30.838 -19.608 1.00 25.25 H new ATOM 0 HB2 ALA A 127 0.682 -29.416 -20.138 1.00 25.25 H new ATOM 0 HB3 ALA A 127 0.507 -30.025 -18.475 1.00 25.25 H new ATOM 2080 N ASN A 128 -1.563 -32.816 -18.504 1.00 26.04 N ATOM 2081 CA ASN A 128 -1.775 -34.096 -17.844 1.00 26.08 C ATOM 2082 C ASN A 128 -1.650 -35.227 -18.855 1.00 26.74 C ATOM 2083 O ASN A 128 -1.004 -36.243 -18.596 1.00 26.73 O ATOM 2084 CB ASN A 128 -3.165 -34.122 -17.200 1.00 26.34 C ATOM 2085 CG ASN A 128 -3.516 -35.465 -16.587 1.00 26.63 C ATOM 2086 OD1 ASN A 128 -2.644 -36.189 -16.100 1.00 26.61 O ATOM 2087 ND2 ASN A 128 -4.796 -35.805 -16.600 1.00 27.01 N ATOM 0 H ASN A 128 -2.343 -32.166 -18.404 1.00 26.04 H new ATOM 0 HA ASN A 128 -1.020 -34.229 -17.069 1.00 26.08 H new ATOM 0 HB2 ASN A 128 -3.215 -33.354 -16.428 1.00 26.34 H new ATOM 0 HB3 ASN A 128 -3.911 -33.867 -17.952 1.00 26.34 H new ATOM 0 HD21 ASN A 128 -5.092 -36.694 -16.197 1.00 27.01 H new ATOM 0 HD22 ASN A 128 -5.486 -35.178 -17.013 1.00 27.01 H new ATOM 2094 N LEU A 129 -2.260 -35.032 -20.016 1.00 27.38 N ATOM 2095 CA LEU A 129 -2.182 -36.004 -21.093 1.00 28.13 C ATOM 2096 C LEU A 129 -0.869 -35.832 -21.838 1.00 28.06 C ATOM 2097 O LEU A 129 -0.660 -34.836 -22.533 1.00 28.19 O ATOM 2098 CB LEU A 129 -3.367 -35.843 -22.051 1.00 28.95 C ATOM 2099 CG LEU A 129 -4.747 -36.060 -21.426 1.00 29.65 C ATOM 2100 CD1 LEU A 129 -5.841 -35.875 -22.466 1.00 30.01 C ATOM 2101 CD2 LEU A 129 -4.839 -37.440 -20.792 1.00 30.08 C ATOM 0 H LEU A 129 -2.816 -34.205 -20.235 1.00 27.38 H new ATOM 0 HA LEU A 129 -2.224 -37.008 -20.670 1.00 28.13 H new ATOM 0 HB2 LEU A 129 -3.334 -34.841 -22.479 1.00 28.95 H new ATOM 0 HB3 LEU A 129 -3.245 -36.546 -22.875 1.00 28.95 H new ATOM 0 HG LEU A 129 -4.888 -35.314 -20.643 1.00 29.65 H new ATOM 0 HD11 LEU A 129 -6.815 -36.033 -22.002 1.00 30.01 H new ATOM 0 HD12 LEU A 129 -5.792 -34.864 -22.870 1.00 30.01 H new ATOM 0 HD13 LEU A 129 -5.702 -36.595 -23.272 1.00 30.01 H new ATOM 0 HD21 LEU A 129 -5.828 -37.574 -20.354 1.00 30.08 H new ATOM 0 HD22 LEU A 129 -4.674 -38.202 -21.554 1.00 30.08 H new ATOM 0 HD23 LEU A 129 -4.081 -37.534 -20.014 1.00 30.08 H new ATOM 2113 N LYS A 130 0.022 -36.798 -21.674 1.00 27.93 N ATOM 2114 CA LYS A 130 1.361 -36.703 -22.225 1.00 27.96 C ATOM 2115 C LYS A 130 1.338 -36.788 -23.745 1.00 28.18 C ATOM 2116 O LYS A 130 0.790 -37.729 -24.320 1.00 28.19 O ATOM 2117 CB LYS A 130 2.248 -37.809 -21.654 1.00 27.75 C ATOM 2118 CG LYS A 130 3.707 -37.700 -22.069 1.00 27.52 C ATOM 2119 CD LYS A 130 4.511 -38.890 -21.577 1.00 27.65 C ATOM 2120 CE LYS A 130 4.004 -40.185 -22.187 1.00 28.04 C ATOM 2121 NZ LYS A 130 4.731 -41.369 -21.668 1.00 28.17 N ATOM 0 H LYS A 130 -0.162 -37.660 -21.161 1.00 27.93 H new ATOM 0 HA LYS A 130 1.771 -35.733 -21.944 1.00 27.96 H new ATOM 0 HB2 LYS A 130 2.187 -37.786 -20.566 1.00 27.75 H new ATOM 0 HB3 LYS A 130 1.860 -38.776 -21.975 1.00 27.75 H new ATOM 0 HG2 LYS A 130 3.775 -37.637 -23.155 1.00 27.52 H new ATOM 0 HG3 LYS A 130 4.133 -36.780 -21.669 1.00 27.52 H new ATOM 0 HD2 LYS A 130 5.562 -38.752 -21.831 1.00 27.65 H new ATOM 0 HD3 LYS A 130 4.451 -38.949 -20.490 1.00 27.65 H new ATOM 0 HE2 LYS A 130 2.940 -40.292 -21.976 1.00 28.04 H new ATOM 0 HE3 LYS A 130 4.111 -40.141 -23.271 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 4.353 -42.230 -22.111 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 5.743 -41.281 -21.892 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 4.608 -41.427 -20.637 1.00 28.17 H new ATOM 2135 N SER A 131 1.921 -35.792 -24.386 1.00 28.45 N ATOM 2136 CA SER A 131 2.080 -35.802 -25.825 1.00 28.77 C ATOM 2137 C SER A 131 3.493 -36.269 -26.165 1.00 28.91 C ATOM 2138 O SER A 131 4.468 -35.609 -25.802 1.00 29.19 O ATOM 2139 CB SER A 131 1.811 -34.406 -26.385 1.00 29.25 C ATOM 2140 OG SER A 131 0.586 -33.896 -25.878 1.00 29.23 O ATOM 0 H SER A 131 2.294 -34.961 -23.927 1.00 28.45 H new ATOM 0 HA SER A 131 1.365 -36.489 -26.277 1.00 28.77 H new ATOM 0 HB2 SER A 131 2.629 -33.737 -26.118 1.00 29.25 H new ATOM 0 HB3 SER A 131 1.773 -34.445 -27.474 1.00 29.25 H new ATOM 0 HG SER A 131 0.428 -33.001 -26.244 1.00 29.23 H new ATOM 2146 N PRO A 132 3.615 -37.429 -26.836 1.00 28.80 N ATOM 2147 CA PRO A 132 4.909 -38.059 -27.129 1.00 29.01 C ATOM 2148 C PRO A 132 5.923 -37.102 -27.747 1.00 29.52 C ATOM 2149 O PRO A 132 7.069 -37.032 -27.304 1.00 29.70 O ATOM 2150 CB PRO A 132 4.548 -39.164 -28.119 1.00 28.82 C ATOM 2151 CG PRO A 132 3.135 -39.506 -27.801 1.00 28.49 C ATOM 2152 CD PRO A 132 2.488 -38.222 -27.361 1.00 28.57 C ATOM 0 HA PRO A 132 5.392 -38.414 -26.218 1.00 29.01 H new ATOM 0 HB2 PRO A 132 4.651 -38.823 -29.149 1.00 28.82 H new ATOM 0 HB3 PRO A 132 5.201 -40.029 -28.003 1.00 28.82 H new ATOM 0 HG2 PRO A 132 2.628 -39.920 -28.673 1.00 28.49 H new ATOM 0 HG3 PRO A 132 3.083 -40.259 -27.014 1.00 28.49 H new ATOM 0 HD2 PRO A 132 1.994 -37.717 -28.191 1.00 28.57 H new ATOM 0 HD3 PRO A 132 1.730 -38.396 -26.597 1.00 28.57 H new ATOM 2160 N ALA A 133 5.501 -36.368 -28.764 1.00 29.82 N ATOM 2161 CA ALA A 133 6.378 -35.423 -29.437 1.00 30.39 C ATOM 2162 C ALA A 133 5.904 -33.990 -29.216 1.00 30.54 C ATOM 2163 O ALA A 133 6.329 -33.074 -29.920 1.00 30.82 O ATOM 2164 CB ALA A 133 6.441 -35.741 -30.921 1.00 30.73 C ATOM 0 H ALA A 133 4.555 -36.409 -29.142 1.00 29.82 H new ATOM 0 HA ALA A 133 7.378 -35.515 -29.014 1.00 30.39 H new ATOM 0 HB1 ALA A 133 7.100 -35.029 -31.418 1.00 30.73 H new ATOM 0 HB2 ALA A 133 6.827 -36.751 -31.061 1.00 30.73 H new ATOM 0 HB3 ALA A 133 5.442 -35.672 -31.351 1.00 30.73 H new ATOM 2170 N LEU A 134 5.041 -33.810 -28.218 1.00 30.43 N ATOM 2171 CA LEU A 134 4.457 -32.505 -27.901 1.00 30.66 C ATOM 2172 C LEU A 134 3.721 -31.929 -29.107 1.00 30.82 C ATOM 2173 O LEU A 134 2.549 -32.301 -29.314 1.00 31.05 O ATOM 2174 CB LEU A 134 5.529 -31.523 -27.410 1.00 30.92 C ATOM 2175 CG LEU A 134 6.194 -31.890 -26.083 1.00 30.78 C ATOM 2176 CD1 LEU A 134 7.259 -30.867 -25.725 1.00 31.20 C ATOM 2177 CD2 LEU A 134 5.151 -31.993 -24.975 1.00 30.60 C ATOM 0 H LEU A 134 4.726 -34.563 -27.606 1.00 30.43 H new ATOM 0 HA LEU A 134 3.737 -32.653 -27.096 1.00 30.66 H new ATOM 0 HB2 LEU A 134 6.302 -31.443 -28.175 1.00 30.92 H new ATOM 0 HB3 LEU A 134 5.076 -30.537 -27.310 1.00 30.92 H new ATOM 0 HG LEU A 134 6.674 -32.862 -26.191 1.00 30.78 H new ATOM 0 HD11 LEU A 134 7.724 -31.142 -24.778 1.00 31.20 H new ATOM 0 HD12 LEU A 134 8.017 -30.842 -26.508 1.00 31.20 H new ATOM 0 HD13 LEU A 134 6.801 -29.882 -25.632 1.00 31.20 H new ATOM 0 HD21 LEU A 134 5.641 -32.255 -24.037 1.00 30.60 H new ATOM 0 HD22 LEU A 134 4.643 -31.035 -24.864 1.00 30.60 H new ATOM 0 HD23 LEU A 134 4.423 -32.763 -25.231 1.00 30.60 H new ATOM 2189 N HIS A 135 4.314 -31.113 -29.844 1.00 30.79 N TER 2190 HIS A 135