USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 90:sc= 0.549 USER MOD Set 1.2: A 72 TYR OH : rot 130:sc= 0.501 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 177:sc= -0.0503 (180deg=-0.588) USER MOD Set 2.2: A 59 ASN : amide:sc= -5.67! C(o=-5.7!,f=-19!) USER MOD Set 3.1: A 19 THR OG1 : rot -72:sc= 1.33 USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 1.06 USER MOD Set 4.1: A 12 ASN : amide:sc= -0.255 X(o=0.86,f=1) USER MOD Set 4.2: A 14 THR OG1 : rot 93:sc= 1.11 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -4.03! C(o=-4!,f=-4.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= 0.0168 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 21:sc= 0.548 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -78:sc= 0.889 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -0.572 (180deg=-0.944) USER MOD Single : A 45 ASN : amide:sc= -2.03 K(o=-2,f=-7.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.11 K(o=-2.1,f=-9.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.025) USER MOD Single : A 64 SER OG : rot 180:sc= -1.47 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -6.25! C(o=-6.2!,f=-12!) USER MOD Single : A 86 SER OG : rot -85:sc= -1.25 USER MOD Single : A 89 SER OG : rot -104:sc= 0.33 USER MOD Single : A 92 SER OG : rot 180:sc= -1.6 USER MOD Single : A 96 THR OG1 : rot 129:sc= 0.126 USER MOD Single : A 97 CYS SG : rot -103:sc= -0.299 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.293 -6.660 -3.241 1.00 2.05 N ATOM 2 CA SER A 0 -23.392 -5.669 -2.596 1.00 1.55 C ATOM 3 C SER A 0 -22.188 -5.355 -3.484 1.00 1.39 C ATOM 4 O SER A 0 -21.256 -6.153 -3.581 1.00 1.50 O ATOM 5 CB SER A 0 -22.920 -6.239 -1.257 1.00 2.08 C ATOM 6 OG SER A 0 -22.196 -5.271 -0.517 1.00 2.74 O ATOM 0 H1 SER A 0 -25.101 -6.853 -2.615 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.639 -6.278 -4.145 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.771 -7.542 -3.415 1.00 2.05 H new ATOM 0 HA SER A 0 -23.939 -4.739 -2.440 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.780 -6.575 -0.678 1.00 2.08 H new ATOM 0 HB3 SER A 0 -22.292 -7.113 -1.431 1.00 2.08 H new ATOM 0 HG SER A 0 -21.907 -5.660 0.335 1.00 2.74 H new ATOM 12 N PRO A 1 -22.188 -4.181 -4.142 1.00 1.23 N ATOM 13 CA PRO A 1 -21.097 -3.764 -5.012 1.00 1.19 C ATOM 14 C PRO A 1 -19.967 -3.110 -4.227 1.00 1.24 C ATOM 15 O PRO A 1 -20.164 -2.666 -3.096 1.00 2.06 O ATOM 16 CB PRO A 1 -21.750 -2.748 -5.959 1.00 1.18 C ATOM 17 CG PRO A 1 -23.118 -2.460 -5.411 1.00 1.26 C ATOM 18 CD PRO A 1 -23.243 -3.168 -4.087 1.00 1.24 C ATOM 0 HA PRO A 1 -20.643 -4.608 -5.532 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -21.156 -1.836 -6.016 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.815 -3.149 -6.970 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -23.261 -1.387 -5.285 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -23.887 -2.805 -6.103 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.100 -2.484 -3.251 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.227 -3.620 -3.964 1.00 1.24 H new ATOM 26 N ILE A 2 -18.782 -3.056 -4.826 1.00 0.68 N ATOM 27 CA ILE A 2 -17.633 -2.457 -4.160 1.00 0.61 C ATOM 28 C ILE A 2 -16.470 -2.229 -5.122 1.00 0.57 C ATOM 29 O ILE A 2 -16.301 -2.962 -6.097 1.00 0.63 O ATOM 30 CB ILE A 2 -17.149 -3.343 -2.996 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.039 -2.643 -2.211 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.670 -4.688 -3.521 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.387 -3.523 -1.169 1.00 0.56 C ATOM 0 H ILE A 2 -18.594 -3.416 -5.762 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.964 -1.492 -3.777 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.986 -3.514 -2.319 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.277 -2.294 -2.908 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.452 -1.761 -1.722 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.331 -5.304 -2.688 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.490 -5.191 -4.034 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.846 -4.534 -4.218 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.610 -2.960 -0.652 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.137 -3.851 -0.449 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.944 -4.393 -1.653 1.00 0.56 H new ATOM 45 N ASP A 3 -15.670 -1.208 -4.830 1.00 0.55 N ATOM 46 CA ASP A 3 -14.510 -0.873 -5.651 1.00 0.54 C ATOM 47 C ASP A 3 -13.330 -0.480 -4.763 1.00 0.47 C ATOM 48 O ASP A 3 -13.478 0.342 -3.858 1.00 0.49 O ATOM 49 CB ASP A 3 -14.851 0.272 -6.610 1.00 0.61 C ATOM 50 CG ASP A 3 -15.980 -0.086 -7.556 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.133 -1.284 -7.872 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.713 0.832 -7.981 1.00 2.00 O ATOM 0 H ASP A 3 -15.805 -0.595 -4.026 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.233 -1.750 -6.236 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.129 1.155 -6.034 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.965 0.535 -7.188 1.00 0.61 H new ATOM 57 N PRO A 4 -12.140 -1.061 -5.000 1.00 0.44 N ATOM 58 CA PRO A 4 -10.950 -0.759 -4.202 1.00 0.41 C ATOM 59 C PRO A 4 -10.317 0.580 -4.579 1.00 0.38 C ATOM 60 O PRO A 4 -10.615 1.145 -5.632 1.00 0.43 O ATOM 61 CB PRO A 4 -10.014 -1.922 -4.525 1.00 0.45 C ATOM 62 CG PRO A 4 -10.370 -2.294 -5.924 1.00 0.50 C ATOM 63 CD PRO A 4 -11.856 -2.057 -6.052 1.00 0.50 C ATOM 0 HA PRO A 4 -11.177 -0.662 -3.140 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.968 -1.627 -4.445 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.163 -2.757 -3.840 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.815 -1.690 -6.642 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.122 -3.336 -6.126 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.118 -1.682 -7.041 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.423 -2.975 -5.899 1.00 0.50 H new ATOM 71 N PRO A 5 -9.436 1.108 -3.711 1.00 0.37 N ATOM 72 CA PRO A 5 -8.757 2.391 -3.936 1.00 0.39 C ATOM 73 C PRO A 5 -7.979 2.438 -5.248 1.00 0.38 C ATOM 74 O PRO A 5 -7.912 1.452 -5.982 1.00 0.47 O ATOM 75 CB PRO A 5 -7.792 2.512 -2.748 1.00 0.46 C ATOM 76 CG PRO A 5 -7.720 1.148 -2.148 1.00 0.71 C ATOM 77 CD PRO A 5 -9.038 0.496 -2.435 1.00 0.43 C ATOM 0 HA PRO A 5 -9.478 3.205 -4.008 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.808 2.849 -3.075 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.153 3.241 -2.022 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -6.900 0.575 -2.581 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.539 1.204 -1.075 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.944 -0.587 -2.518 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.766 0.693 -1.648 1.00 0.43 H new ATOM 85 N GLY A 6 -7.389 3.599 -5.532 1.00 0.37 N ATOM 86 CA GLY A 6 -6.616 3.771 -6.750 1.00 0.39 C ATOM 87 C GLY A 6 -5.218 3.194 -6.633 1.00 0.42 C ATOM 88 O GLY A 6 -4.797 2.794 -5.548 1.00 0.66 O ATOM 0 H GLY A 6 -7.434 4.426 -4.936 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.136 3.290 -7.578 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.549 4.833 -6.988 1.00 0.39 H new ATOM 92 N LYS A 7 -4.493 3.154 -7.748 1.00 0.41 N ATOM 93 CA LYS A 7 -3.132 2.625 -7.752 1.00 0.44 C ATOM 94 C LYS A 7 -2.238 3.459 -6.834 1.00 0.37 C ATOM 95 O LYS A 7 -2.196 4.683 -6.955 1.00 0.42 O ATOM 96 CB LYS A 7 -2.567 2.617 -9.174 1.00 0.54 C ATOM 97 CG LYS A 7 -1.110 2.189 -9.248 1.00 0.64 C ATOM 98 CD LYS A 7 -0.178 3.387 -9.300 1.00 1.01 C ATOM 99 CE LYS A 7 1.262 2.963 -9.537 1.00 0.95 C ATOM 100 NZ LYS A 7 1.771 3.443 -10.850 1.00 1.52 N ATOM 0 H LYS A 7 -4.823 3.480 -8.656 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.157 1.600 -7.382 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.166 1.946 -9.790 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.666 3.615 -9.601 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.866 1.575 -8.381 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.957 1.569 -10.131 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.495 4.062 -10.095 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.245 3.943 -8.365 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.892 3.354 -8.738 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.332 1.876 -9.495 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.756 3.134 -10.975 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.185 3.050 -11.614 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.728 4.482 -10.880 1.00 1.52 H new ATOM 114 N PRO A 8 -1.514 2.822 -5.891 1.00 0.34 N ATOM 115 CA PRO A 8 -0.635 3.535 -4.952 1.00 0.32 C ATOM 116 C PRO A 8 0.641 4.045 -5.607 1.00 0.33 C ATOM 117 O PRO A 8 1.148 3.450 -6.559 1.00 0.44 O ATOM 118 CB PRO A 8 -0.302 2.470 -3.893 1.00 0.39 C ATOM 119 CG PRO A 8 -1.264 1.360 -4.154 1.00 0.44 C ATOM 120 CD PRO A 8 -1.480 1.375 -5.633 1.00 0.41 C ATOM 0 HA PRO A 8 -1.118 4.425 -4.550 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.729 2.130 -3.985 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.418 2.865 -2.884 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.861 0.403 -3.824 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.200 1.514 -3.617 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.675 0.878 -6.173 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.409 0.882 -5.920 1.00 0.41 H new ATOM 128 N VAL A 9 1.159 5.153 -5.083 1.00 0.34 N ATOM 129 CA VAL A 9 2.381 5.747 -5.608 1.00 0.38 C ATOM 130 C VAL A 9 3.200 6.395 -4.489 1.00 0.34 C ATOM 131 O VAL A 9 2.833 7.454 -3.973 1.00 0.35 O ATOM 132 CB VAL A 9 2.072 6.801 -6.691 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.298 7.971 -6.104 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.354 7.278 -7.354 1.00 0.53 C ATOM 0 H VAL A 9 0.750 5.656 -4.295 1.00 0.34 H new ATOM 0 HA VAL A 9 2.962 4.941 -6.057 1.00 0.38 H new ATOM 0 HB VAL A 9 1.447 6.334 -7.452 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.092 8.701 -6.887 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.357 7.612 -5.686 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.889 8.440 -5.317 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.115 8.021 -8.115 1.00 0.53 H new ATOM 0 HG22 VAL A 9 4.007 7.724 -6.604 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.860 6.432 -7.819 1.00 0.53 H new ATOM 144 N PRO A 10 4.320 5.760 -4.082 1.00 0.34 N ATOM 145 CA PRO A 10 5.169 6.281 -3.017 1.00 0.32 C ATOM 146 C PRO A 10 5.737 7.665 -3.320 1.00 0.37 C ATOM 147 O PRO A 10 6.588 7.812 -4.197 1.00 0.64 O ATOM 148 CB PRO A 10 6.315 5.282 -2.895 1.00 0.38 C ATOM 149 CG PRO A 10 5.894 4.067 -3.649 1.00 0.39 C ATOM 150 CD PRO A 10 4.820 4.485 -4.616 1.00 0.42 C ATOM 0 HA PRO A 10 4.586 6.395 -2.103 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.236 5.695 -3.306 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.512 5.042 -1.850 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.741 3.633 -4.181 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.520 3.303 -2.967 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.218 4.605 -5.624 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.026 3.740 -4.674 1.00 0.42 H new ATOM 158 N LEU A 11 5.285 8.678 -2.582 1.00 0.34 N ATOM 159 CA LEU A 11 5.787 10.037 -2.778 1.00 0.43 C ATOM 160 C LEU A 11 7.210 10.109 -2.254 1.00 0.43 C ATOM 161 O LEU A 11 8.086 10.739 -2.848 1.00 0.57 O ATOM 162 CB LEU A 11 4.921 11.069 -2.044 1.00 0.56 C ATOM 163 CG LEU A 11 3.468 11.193 -2.514 1.00 0.92 C ATOM 164 CD1 LEU A 11 3.352 10.976 -4.018 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.585 10.219 -1.756 1.00 1.12 C ATOM 0 H LEU A 11 4.580 8.586 -1.851 1.00 0.34 H new ATOM 0 HA LEU A 11 5.754 10.270 -3.842 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.917 10.820 -0.983 1.00 0.56 H new ATOM 0 HB3 LEU A 11 5.396 12.045 -2.140 1.00 0.56 H new ATOM 0 HG LEU A 11 3.128 12.207 -2.302 1.00 0.92 H new ATOM 0 HD11 LEU A 11 2.309 11.070 -4.320 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.950 11.723 -4.541 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.714 9.979 -4.271 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.555 10.318 -2.100 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.931 9.201 -1.933 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.634 10.438 -0.689 1.00 1.12 H new ATOM 177 N ASN A 12 7.420 9.433 -1.134 1.00 0.34 N ATOM 178 CA ASN A 12 8.721 9.369 -0.493 1.00 0.36 C ATOM 179 C ASN A 12 9.048 7.919 -0.210 1.00 0.37 C ATOM 180 O ASN A 12 8.150 7.117 0.016 1.00 0.58 O ATOM 181 CB ASN A 12 8.730 10.177 0.808 1.00 0.42 C ATOM 182 CG ASN A 12 10.134 10.516 1.274 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.615 11.630 1.065 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.801 9.556 1.908 1.00 0.71 N ATOM 0 H ASN A 12 6.691 8.914 -0.645 1.00 0.34 H new ATOM 0 HA ASN A 12 9.472 9.800 -1.156 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.167 11.099 0.663 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.219 9.611 1.587 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.749 9.729 2.242 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.364 8.647 2.060 1.00 0.71 H new ATOM 191 N ILE A 13 10.322 7.574 -0.234 1.00 0.38 N ATOM 192 CA ILE A 13 10.722 6.203 0.010 1.00 0.43 C ATOM 193 C ILE A 13 12.019 6.132 0.806 1.00 0.53 C ATOM 194 O ILE A 13 13.110 6.101 0.238 1.00 0.75 O ATOM 195 CB ILE A 13 10.885 5.450 -1.315 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.746 6.272 -2.273 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.514 5.162 -1.926 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.776 5.732 -3.682 1.00 0.96 C ATOM 0 H ILE A 13 11.091 8.219 -0.418 1.00 0.38 H new ATOM 0 HA ILE A 13 9.935 5.732 0.599 1.00 0.43 H new ATOM 0 HB ILE A 13 11.383 4.498 -1.131 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.373 7.296 -2.294 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.765 6.312 -1.888 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.640 4.627 -2.867 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.930 4.552 -1.237 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.993 6.102 -2.110 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.407 6.368 -4.302 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.178 4.719 -3.675 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.765 5.718 -4.088 1.00 0.96 H new ATOM 210 N THR A 14 11.890 6.110 2.128 1.00 0.59 N ATOM 211 CA THR A 14 13.048 6.046 3.008 1.00 0.71 C ATOM 212 C THR A 14 13.579 4.619 3.101 1.00 0.79 C ATOM 213 O THR A 14 12.827 3.653 2.987 1.00 1.46 O ATOM 214 CB THR A 14 12.692 6.569 4.399 1.00 0.75 C ATOM 215 OG1 THR A 14 11.627 7.499 4.327 1.00 0.69 O ATOM 216 CG2 THR A 14 13.847 7.254 5.093 1.00 0.94 C ATOM 0 H THR A 14 10.993 6.136 2.613 1.00 0.59 H new ATOM 0 HA THR A 14 13.830 6.677 2.586 1.00 0.71 H new ATOM 0 HB THR A 14 12.411 5.688 4.975 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.775 7.031 4.454 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.527 7.601 6.075 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.671 6.550 5.208 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.177 8.105 4.497 1.00 0.94 H new ATOM 224 N ARG A 15 14.886 4.506 3.295 1.00 0.66 N ATOM 225 CA ARG A 15 15.556 3.207 3.390 1.00 0.67 C ATOM 226 C ARG A 15 14.755 2.175 4.191 1.00 0.71 C ATOM 227 O ARG A 15 14.776 0.989 3.867 1.00 1.19 O ATOM 228 CB ARG A 15 16.960 3.346 3.999 1.00 0.80 C ATOM 229 CG ARG A 15 17.187 4.607 4.818 1.00 0.96 C ATOM 230 CD ARG A 15 16.131 4.782 5.895 1.00 1.13 C ATOM 231 NE ARG A 15 16.618 5.579 7.017 1.00 1.43 N ATOM 232 CZ ARG A 15 15.875 5.897 8.071 1.00 1.67 C ATOM 233 NH1 ARG A 15 14.616 5.489 8.147 1.00 2.42 N ATOM 234 NH2 ARG A 15 16.391 6.625 9.052 1.00 1.90 N ATOM 0 H ARG A 15 15.513 5.305 3.391 1.00 0.66 H new ATOM 0 HA ARG A 15 15.636 2.843 2.366 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.151 2.480 4.633 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.693 3.318 3.193 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.173 4.567 5.280 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.179 5.474 4.158 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.251 5.261 5.465 1.00 1.13 H new ATOM 0 HD3 ARG A 15 15.816 3.803 6.256 1.00 1.13 H new ATOM 0 HE ARG A 15 17.582 5.910 6.990 1.00 1.43 H new ATOM 0 HH11 ARG A 15 14.215 4.929 7.395 1.00 2.42 H new ATOM 0 HH12 ARG A 15 14.048 5.735 8.958 1.00 2.42 H new ATOM 0 HH21 ARG A 15 17.359 6.941 8.997 1.00 1.90 H new ATOM 0 HH22 ARG A 15 15.820 6.869 9.861 1.00 1.90 H new ATOM 248 N HIS A 16 14.063 2.616 5.238 1.00 0.50 N ATOM 249 CA HIS A 16 13.280 1.698 6.070 1.00 0.54 C ATOM 250 C HIS A 16 11.902 2.266 6.380 1.00 0.57 C ATOM 251 O HIS A 16 11.335 1.997 7.437 1.00 0.97 O ATOM 252 CB HIS A 16 14.023 1.411 7.376 1.00 0.67 C ATOM 253 CG HIS A 16 14.950 0.238 7.300 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.907 -0.830 8.169 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.961 -0.024 6.434 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.874 -1.687 7.814 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.541 -1.245 6.766 1.00 0.86 N ATOM 0 H HIS A 16 14.026 3.592 5.531 1.00 0.50 H new ATOM 0 HA HIS A 16 13.149 0.771 5.511 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.594 2.295 7.660 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.294 1.235 8.167 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.255 -0.948 8.945 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.267 0.613 5.617 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.080 -2.618 8.320 1.00 1.02 H new ATOM 265 N THR A 17 11.369 3.042 5.448 1.00 0.43 N ATOM 266 CA THR A 17 10.052 3.645 5.609 1.00 0.42 C ATOM 267 C THR A 17 9.689 4.451 4.374 1.00 0.38 C ATOM 268 O THR A 17 10.257 5.513 4.134 1.00 0.56 O ATOM 269 CB THR A 17 10.019 4.550 6.841 1.00 0.56 C ATOM 270 OG1 THR A 17 11.304 5.085 7.107 1.00 0.65 O ATOM 271 CG2 THR A 17 9.545 3.845 8.090 1.00 0.68 C ATOM 0 H THR A 17 11.830 3.270 4.567 1.00 0.43 H new ATOM 0 HA THR A 17 9.325 2.844 5.742 1.00 0.42 H new ATOM 0 HB THR A 17 9.307 5.339 6.599 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.261 5.662 7.898 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.546 4.545 8.926 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.534 3.468 7.934 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.212 3.012 8.313 1.00 0.68 H new ATOM 279 N VAL A 18 8.745 3.952 3.589 1.00 0.27 N ATOM 280 CA VAL A 18 8.340 4.657 2.389 1.00 0.33 C ATOM 281 C VAL A 18 6.910 5.171 2.509 1.00 0.32 C ATOM 282 O VAL A 18 6.053 4.512 3.084 1.00 0.51 O ATOM 283 CB VAL A 18 8.473 3.775 1.123 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.850 3.138 1.008 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.377 2.753 1.014 1.00 0.80 C ATOM 0 H VAL A 18 8.254 3.075 3.760 1.00 0.27 H new ATOM 0 HA VAL A 18 9.016 5.505 2.284 1.00 0.33 H new ATOM 0 HB VAL A 18 8.359 4.447 0.273 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.895 2.529 0.105 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.609 3.919 0.957 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.034 2.509 1.879 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.519 2.162 0.109 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.404 2.096 1.884 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.412 3.258 0.970 1.00 0.80 H new ATOM 295 N THR A 19 6.658 6.348 1.956 1.00 0.27 N ATOM 296 CA THR A 19 5.328 6.937 1.998 1.00 0.24 C ATOM 297 C THR A 19 4.662 6.863 0.636 1.00 0.22 C ATOM 298 O THR A 19 5.300 7.147 -0.374 1.00 0.34 O ATOM 299 CB THR A 19 5.385 8.392 2.438 1.00 0.28 C ATOM 300 OG1 THR A 19 5.829 8.503 3.779 1.00 0.35 O ATOM 301 CG2 THR A 19 4.038 9.071 2.330 1.00 0.32 C ATOM 0 H THR A 19 7.356 6.914 1.473 1.00 0.27 H new ATOM 0 HA THR A 19 4.746 6.366 2.721 1.00 0.24 H new ATOM 0 HB THR A 19 6.089 8.884 1.767 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.122 8.196 4.384 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.126 10.108 2.654 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.698 9.042 1.295 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.318 8.553 2.963 1.00 0.32 H new ATOM 309 N LEU A 20 3.374 6.497 0.632 1.00 0.28 N ATOM 310 CA LEU A 20 2.601 6.387 -0.604 1.00 0.26 C ATOM 311 C LEU A 20 1.209 7.001 -0.481 1.00 0.28 C ATOM 312 O LEU A 20 0.684 7.193 0.622 1.00 0.40 O ATOM 313 CB LEU A 20 2.463 4.931 -1.052 1.00 0.33 C ATOM 314 CG LEU A 20 2.874 3.874 -0.025 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.738 2.909 0.242 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.103 3.153 -0.518 1.00 0.50 C ATOM 0 H LEU A 20 2.847 6.272 1.476 1.00 0.28 H new ATOM 0 HA LEU A 20 3.161 6.948 -1.353 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.424 4.754 -1.331 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.063 4.789 -1.951 1.00 0.33 H new ATOM 0 HG LEU A 20 3.108 4.363 0.921 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.055 2.167 0.975 1.00 0.52 H new ATOM 0 HD12 LEU A 20 0.878 3.457 0.628 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.461 2.407 -0.685 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.399 2.399 0.211 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.884 2.671 -1.471 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.915 3.868 -0.651 1.00 0.50 H new ATOM 328 N LYS A 21 0.620 7.293 -1.640 1.00 0.25 N ATOM 329 CA LYS A 21 -0.719 7.876 -1.710 1.00 0.31 C ATOM 330 C LYS A 21 -1.439 7.410 -2.975 1.00 0.31 C ATOM 331 O LYS A 21 -0.807 7.183 -4.006 1.00 0.51 O ATOM 332 CB LYS A 21 -0.635 9.404 -1.689 1.00 0.40 C ATOM 333 CG LYS A 21 -1.741 10.075 -0.894 1.00 0.81 C ATOM 334 CD LYS A 21 -3.111 9.784 -1.478 1.00 0.95 C ATOM 335 CE LYS A 21 -4.023 10.997 -1.382 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.054 11.559 -0.003 1.00 1.84 N ATOM 0 H LYS A 21 1.053 7.134 -2.550 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.286 7.542 -0.841 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.328 9.698 -1.271 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.664 9.773 -2.714 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.706 9.731 0.140 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.574 11.152 -0.877 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.008 9.486 -2.521 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.563 8.944 -0.950 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.683 11.763 -2.079 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -5.033 10.717 -1.683 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.646 12.414 0.010 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.450 10.854 0.651 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.088 11.803 0.294 1.00 1.84 H new ATOM 350 N TRP A 22 -2.759 7.259 -2.892 1.00 0.25 N ATOM 351 CA TRP A 22 -3.547 6.810 -4.035 1.00 0.24 C ATOM 352 C TRP A 22 -4.845 7.597 -4.176 1.00 0.24 C ATOM 353 O TRP A 22 -5.095 8.549 -3.438 1.00 0.40 O ATOM 354 CB TRP A 22 -3.870 5.331 -3.883 1.00 0.27 C ATOM 355 CG TRP A 22 -4.462 4.993 -2.551 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.785 4.851 -2.246 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.744 4.757 -1.340 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.929 4.536 -0.916 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.689 4.472 -0.338 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.391 4.755 -1.011 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.319 4.193 0.975 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.023 4.477 0.290 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.984 4.197 1.269 1.00 0.32 C ATOM 0 H TRP A 22 -3.303 7.440 -2.048 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.952 6.978 -4.933 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.565 5.035 -4.669 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.959 4.750 -4.027 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.599 4.969 -2.947 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.815 4.376 -0.437 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.643 4.967 -1.760 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.059 3.981 1.733 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.977 4.475 0.557 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.664 3.980 2.277 1.00 0.32 H new ATOM 374 N ALA A 23 -5.669 7.180 -5.136 1.00 0.31 N ATOM 375 CA ALA A 23 -6.950 7.823 -5.393 1.00 0.33 C ATOM 376 C ALA A 23 -8.080 7.090 -4.678 1.00 0.36 C ATOM 377 O ALA A 23 -7.963 5.908 -4.361 1.00 0.83 O ATOM 378 CB ALA A 23 -7.222 7.863 -6.890 1.00 0.36 C ATOM 0 H ALA A 23 -5.467 6.392 -5.752 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.904 8.842 -5.008 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.182 8.346 -7.073 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.433 8.426 -7.388 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.246 6.846 -7.283 1.00 0.36 H new ATOM 384 N LYS A 24 -9.176 7.797 -4.429 1.00 0.59 N ATOM 385 CA LYS A 24 -10.328 7.208 -3.759 1.00 0.61 C ATOM 386 C LYS A 24 -11.322 6.670 -4.784 1.00 0.59 C ATOM 387 O LYS A 24 -11.456 7.222 -5.875 1.00 0.69 O ATOM 388 CB LYS A 24 -11.012 8.244 -2.866 1.00 0.74 C ATOM 389 CG LYS A 24 -11.591 9.419 -3.637 1.00 1.21 C ATOM 390 CD LYS A 24 -12.995 9.121 -4.133 1.00 1.22 C ATOM 391 CE LYS A 24 -13.902 10.335 -4.011 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.292 10.038 -4.457 1.00 2.11 N ATOM 0 H LYS A 24 -9.291 8.779 -4.681 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.979 6.382 -3.139 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.811 7.758 -2.305 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.292 8.617 -2.138 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.609 10.302 -2.998 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -10.946 9.653 -4.484 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.953 8.801 -5.174 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.415 8.293 -3.561 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.918 10.673 -2.975 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.496 11.152 -4.607 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.537 10.650 -5.261 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.358 9.042 -4.748 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.953 10.214 -3.674 1.00 2.11 H new ATOM 406 N PRO A 25 -12.034 5.581 -4.450 1.00 0.56 N ATOM 407 CA PRO A 25 -13.018 4.979 -5.356 1.00 0.63 C ATOM 408 C PRO A 25 -14.181 5.917 -5.653 1.00 0.75 C ATOM 409 O PRO A 25 -14.293 6.989 -5.062 1.00 0.89 O ATOM 410 CB PRO A 25 -13.507 3.747 -4.591 1.00 0.63 C ATOM 411 CG PRO A 25 -13.207 4.043 -3.162 1.00 0.71 C ATOM 412 CD PRO A 25 -11.944 4.854 -3.172 1.00 0.58 C ATOM 0 HA PRO A 25 -12.584 4.746 -6.328 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.573 3.583 -4.746 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -12.994 2.845 -4.924 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.023 4.595 -2.697 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.078 3.124 -2.590 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.893 5.535 -2.322 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.057 4.222 -3.128 1.00 0.58 H new ATOM 420 N GLU A 26 -15.046 5.508 -6.576 1.00 0.85 N ATOM 421 CA GLU A 26 -16.198 6.320 -6.949 1.00 1.05 C ATOM 422 C GLU A 26 -17.509 5.552 -6.775 1.00 0.95 C ATOM 423 O GLU A 26 -18.552 5.982 -7.267 1.00 1.12 O ATOM 424 CB GLU A 26 -16.066 6.790 -8.399 1.00 1.29 C ATOM 425 CG GLU A 26 -14.794 7.581 -8.670 1.00 1.83 C ATOM 426 CD GLU A 26 -15.024 8.756 -9.601 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.775 8.595 -10.586 1.00 2.77 O ATOM 428 OE2 GLU A 26 -14.452 9.837 -9.346 1.00 2.53 O ATOM 0 H GLU A 26 -14.971 4.623 -7.077 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.220 7.184 -6.285 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.091 5.922 -9.057 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.928 7.407 -8.652 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.389 7.945 -7.726 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.045 6.919 -9.105 1.00 1.83 H new ATOM 435 N TYR A 27 -17.458 4.419 -6.076 1.00 0.85 N ATOM 436 CA TYR A 27 -18.658 3.621 -5.857 1.00 0.84 C ATOM 437 C TYR A 27 -18.667 2.972 -4.473 1.00 0.86 C ATOM 438 O TYR A 27 -19.412 3.399 -3.591 1.00 1.37 O ATOM 439 CB TYR A 27 -18.796 2.552 -6.944 1.00 0.86 C ATOM 440 CG TYR A 27 -20.231 2.166 -7.223 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.974 1.464 -6.285 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.842 2.504 -8.424 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.286 1.109 -6.533 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.154 2.154 -8.680 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.872 1.455 -7.732 1.00 1.19 C ATOM 446 OH TYR A 27 -24.179 1.102 -7.984 1.00 1.35 O ATOM 0 H TYR A 27 -16.609 4.039 -5.657 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.512 4.297 -5.910 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.340 2.918 -7.864 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.240 1.664 -6.644 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.519 1.190 -5.345 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -20.282 3.049 -9.170 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.850 0.563 -5.791 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.615 2.426 -9.618 1.00 1.28 H new ATOM 0 HH TYR A 27 -24.439 1.423 -8.873 1.00 1.35 H new ATOM 456 N THR A 28 -17.847 1.935 -4.282 1.00 0.65 N ATOM 457 CA THR A 28 -17.783 1.233 -2.997 1.00 0.61 C ATOM 458 C THR A 28 -19.185 0.995 -2.438 1.00 0.66 C ATOM 459 O THR A 28 -19.502 1.418 -1.327 1.00 0.81 O ATOM 460 CB THR A 28 -16.951 2.030 -1.989 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.460 3.346 -1.851 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.491 2.139 -2.367 1.00 0.79 C ATOM 0 H THR A 28 -17.221 1.564 -4.997 1.00 0.65 H new ATOM 0 HA THR A 28 -17.305 0.268 -3.166 1.00 0.61 H new ATOM 0 HB THR A 28 -17.024 1.476 -1.053 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.393 3.369 -2.151 1.00 0.91 H new ATOM 0 HG21 THR A 28 -14.961 2.716 -1.609 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.057 1.141 -2.433 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.401 2.638 -3.332 1.00 0.79 H new ATOM 470 N GLY A 29 -20.025 0.321 -3.225 1.00 0.75 N ATOM 471 CA GLY A 29 -21.391 0.042 -2.805 1.00 0.80 C ATOM 472 C GLY A 29 -22.046 1.235 -2.127 1.00 0.85 C ATOM 473 O GLY A 29 -22.497 2.169 -2.790 1.00 1.01 O ATOM 0 H GLY A 29 -19.782 -0.038 -4.149 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.983 -0.249 -3.673 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.391 -0.806 -2.121 1.00 0.80 H new ATOM 477 N GLY A 30 -22.079 1.200 -0.803 1.00 0.83 N ATOM 478 CA GLY A 30 -22.658 2.281 -0.030 1.00 0.89 C ATOM 479 C GLY A 30 -21.871 2.486 1.241 1.00 0.85 C ATOM 480 O GLY A 30 -22.423 2.808 2.294 1.00 0.98 O ATOM 0 H GLY A 30 -21.710 0.431 -0.243 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.660 3.199 -0.618 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.697 2.053 0.209 1.00 0.89 H new ATOM 484 N PHE A 31 -20.568 2.265 1.127 1.00 0.73 N ATOM 485 CA PHE A 31 -19.652 2.385 2.250 1.00 0.69 C ATOM 486 C PHE A 31 -18.642 3.503 2.026 1.00 0.67 C ATOM 487 O PHE A 31 -18.785 4.316 1.113 1.00 0.74 O ATOM 488 CB PHE A 31 -18.910 1.060 2.470 1.00 0.63 C ATOM 489 CG PHE A 31 -19.487 -0.116 1.724 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.611 -0.760 2.209 1.00 0.79 C ATOM 491 CD2 PHE A 31 -18.911 -0.571 0.545 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.154 -1.839 1.536 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.450 -1.650 -0.132 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.573 -2.284 0.364 1.00 0.83 C ATOM 0 H PHE A 31 -20.118 1.997 0.252 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.241 2.627 3.135 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.870 1.188 2.171 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.910 0.832 3.536 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.070 -0.416 3.124 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.034 -0.078 0.153 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.031 -2.333 1.926 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -18.994 -1.997 -1.047 1.00 0.73 H new ATOM 0 HZ PHE A 31 -20.996 -3.126 -0.164 1.00 0.83 H new ATOM 504 N LYS A 32 -17.619 3.530 2.871 1.00 0.68 N ATOM 505 CA LYS A 32 -16.573 4.544 2.780 1.00 0.72 C ATOM 506 C LYS A 32 -15.215 3.979 3.192 1.00 0.66 C ATOM 507 O LYS A 32 -14.475 4.609 3.947 1.00 0.74 O ATOM 508 CB LYS A 32 -16.926 5.742 3.663 1.00 0.86 C ATOM 509 CG LYS A 32 -16.682 7.085 2.994 1.00 1.38 C ATOM 510 CD LYS A 32 -15.489 7.804 3.605 1.00 1.38 C ATOM 511 CE LYS A 32 -15.686 8.049 5.092 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.262 9.419 5.495 1.00 2.26 N ATOM 0 H LYS A 32 -17.490 2.860 3.629 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.506 4.866 1.741 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.975 5.674 3.950 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.340 5.691 4.581 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.511 6.936 1.928 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.572 7.707 3.090 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -14.587 7.211 3.449 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -15.337 8.756 3.096 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.736 7.905 5.347 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.117 7.312 5.659 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.414 9.543 6.516 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.254 9.549 5.276 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.823 10.123 4.974 1.00 2.26 H new ATOM 526 N ILE A 33 -14.889 2.791 2.686 1.00 0.67 N ATOM 527 CA ILE A 33 -13.615 2.146 2.999 1.00 0.66 C ATOM 528 C ILE A 33 -13.400 2.056 4.514 1.00 0.80 C ATOM 529 O ILE A 33 -13.766 1.059 5.136 1.00 1.71 O ATOM 530 CB ILE A 33 -12.442 2.898 2.334 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.611 2.893 0.810 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.106 2.283 2.737 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.240 1.582 0.149 1.00 0.91 C ATOM 0 H ILE A 33 -15.489 2.256 2.058 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.648 1.133 2.599 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.449 3.932 2.680 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.648 3.127 0.570 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -11.998 3.688 0.385 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.294 2.829 2.256 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -10.991 2.340 3.819 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.077 1.239 2.424 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.388 1.663 -0.928 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.194 1.354 0.355 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.870 0.785 0.543 1.00 0.91 H new ATOM 545 N THR A 34 -12.819 3.101 5.103 1.00 0.72 N ATOM 546 CA THR A 34 -12.574 3.141 6.547 1.00 0.73 C ATOM 547 C THR A 34 -11.412 2.242 6.970 1.00 0.59 C ATOM 548 O THR A 34 -11.339 1.826 8.125 1.00 0.76 O ATOM 549 CB THR A 34 -13.836 2.743 7.318 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.877 1.343 7.529 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.122 3.142 6.623 1.00 1.15 C ATOM 0 H THR A 34 -12.508 3.933 4.602 1.00 0.72 H new ATOM 0 HA THR A 34 -12.303 4.169 6.788 1.00 0.73 H new ATOM 0 HB THR A 34 -13.774 3.283 8.263 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.164 0.896 6.705 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.974 2.828 7.226 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.146 4.224 6.496 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.172 2.661 5.646 1.00 1.15 H new ATOM 559 N SER A 35 -10.499 1.945 6.045 1.00 0.49 N ATOM 560 CA SER A 35 -9.345 1.097 6.364 1.00 0.47 C ATOM 561 C SER A 35 -8.590 0.671 5.114 1.00 0.45 C ATOM 562 O SER A 35 -9.007 -0.247 4.412 1.00 0.72 O ATOM 563 CB SER A 35 -9.779 -0.148 7.132 1.00 0.64 C ATOM 564 OG SER A 35 -8.801 -1.170 7.045 1.00 1.58 O ATOM 0 H SER A 35 -10.532 2.273 5.080 1.00 0.49 H new ATOM 0 HA SER A 35 -8.679 1.697 6.985 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.950 0.108 8.178 1.00 0.64 H new ATOM 0 HB3 SER A 35 -10.726 -0.512 6.734 1.00 0.64 H new ATOM 0 HG SER A 35 -9.103 -1.956 7.547 1.00 1.58 H new ATOM 570 N TYR A 36 -7.472 1.336 4.856 1.00 0.27 N ATOM 571 CA TYR A 36 -6.642 1.028 3.699 1.00 0.28 C ATOM 572 C TYR A 36 -5.412 0.221 4.112 1.00 0.33 C ATOM 573 O TYR A 36 -4.385 0.786 4.487 1.00 0.68 O ATOM 574 CB TYR A 36 -6.202 2.316 3.013 1.00 0.29 C ATOM 575 CG TYR A 36 -7.260 2.935 2.124 1.00 0.33 C ATOM 576 CD1 TYR A 36 -7.877 2.197 1.122 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.636 4.261 2.288 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.841 2.766 0.309 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.597 4.836 1.481 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.197 4.085 0.493 1.00 0.60 C ATOM 581 OH TYR A 36 -10.155 4.654 -0.314 1.00 0.76 O ATOM 0 H TYR A 36 -7.117 2.096 5.436 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.234 0.431 3.005 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.913 3.040 3.775 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.314 2.111 2.415 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.600 1.163 0.975 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.168 4.853 3.061 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.312 2.180 -0.466 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.877 5.869 1.623 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.290 5.589 -0.052 1.00 0.76 H new ATOM 591 N ILE A 37 -5.517 -1.099 4.037 1.00 0.24 N ATOM 592 CA ILE A 37 -4.406 -1.972 4.405 1.00 0.26 C ATOM 593 C ILE A 37 -3.460 -2.178 3.224 1.00 0.33 C ATOM 594 O ILE A 37 -3.837 -2.767 2.211 1.00 0.70 O ATOM 595 CB ILE A 37 -4.893 -3.349 4.909 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.231 -3.223 5.646 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.847 -3.973 5.821 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.734 -4.532 6.214 1.00 1.14 C ATOM 0 H ILE A 37 -6.356 -1.589 3.726 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.876 -1.475 5.217 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.042 -3.995 4.044 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.124 -2.502 6.456 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.978 -2.823 4.960 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.201 -4.943 6.170 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.915 -4.103 5.270 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.674 -3.320 6.677 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.684 -4.367 6.721 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.874 -5.250 5.406 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.006 -4.924 6.925 1.00 1.14 H new ATOM 610 N VAL A 38 -2.230 -1.686 3.361 1.00 0.36 N ATOM 611 CA VAL A 38 -1.232 -1.811 2.302 1.00 0.42 C ATOM 612 C VAL A 38 -0.426 -3.101 2.434 1.00 0.35 C ATOM 613 O VAL A 38 0.225 -3.336 3.452 1.00 0.48 O ATOM 614 CB VAL A 38 -0.252 -0.622 2.299 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.602 -0.640 1.037 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.996 0.699 2.430 1.00 0.46 C ATOM 0 H VAL A 38 -1.901 -1.198 4.194 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.788 -1.825 1.365 1.00 0.42 H new ATOM 0 HB VAL A 38 0.406 -0.721 3.162 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.289 0.206 1.050 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.171 -1.569 0.996 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.042 -0.570 0.161 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.281 1.521 2.425 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.685 0.813 1.593 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.556 0.710 3.365 1.00 0.46 H new ATOM 626 N GLU A 39 -0.462 -3.923 1.389 1.00 0.30 N ATOM 627 CA GLU A 39 0.276 -5.183 1.373 1.00 0.33 C ATOM 628 C GLU A 39 1.623 -4.987 0.684 1.00 0.32 C ATOM 629 O GLU A 39 1.690 -4.432 -0.413 1.00 0.43 O ATOM 630 CB GLU A 39 -0.531 -6.268 0.653 1.00 0.42 C ATOM 631 CG GLU A 39 -1.440 -7.066 1.574 1.00 0.51 C ATOM 632 CD GLU A 39 -1.836 -8.405 0.986 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.134 -8.457 -0.226 1.00 1.52 O ATOM 634 OE2 GLU A 39 -1.848 -9.404 1.736 1.00 1.67 O ATOM 0 H GLU A 39 -0.996 -3.739 0.540 1.00 0.30 H new ATOM 0 HA GLU A 39 0.445 -5.503 2.401 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -1.136 -5.802 -0.125 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.158 -6.951 0.156 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -0.935 -7.227 2.526 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.338 -6.486 1.784 1.00 0.51 H new ATOM 641 N LYS A 40 2.695 -5.431 1.329 1.00 0.28 N ATOM 642 CA LYS A 40 4.033 -5.281 0.762 1.00 0.31 C ATOM 643 C LYS A 40 4.621 -6.616 0.330 1.00 0.29 C ATOM 644 O LYS A 40 4.478 -7.628 1.016 1.00 0.35 O ATOM 645 CB LYS A 40 4.982 -4.612 1.763 1.00 0.43 C ATOM 646 CG LYS A 40 4.731 -5.006 3.210 1.00 0.92 C ATOM 647 CD LYS A 40 6.037 -5.144 3.982 1.00 1.14 C ATOM 648 CE LYS A 40 6.942 -3.933 3.795 1.00 1.65 C ATOM 649 NZ LYS A 40 6.245 -2.660 4.129 1.00 1.97 N ATOM 0 H LYS A 40 2.667 -5.894 2.237 1.00 0.28 H new ATOM 0 HA LYS A 40 3.929 -4.648 -0.119 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.009 -4.866 1.501 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.888 -3.530 1.670 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.101 -4.257 3.689 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.186 -5.949 3.243 1.00 0.92 H new ATOM 0 HD2 LYS A 40 5.819 -5.273 5.042 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.560 -6.042 3.652 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.825 -4.039 4.425 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.290 -3.896 2.763 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.831 -1.855 3.830 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.331 -2.625 3.635 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.086 -2.610 5.156 1.00 1.97 H new ATOM 663 N ARG A 41 5.299 -6.596 -0.809 1.00 0.36 N ATOM 664 CA ARG A 41 5.937 -7.782 -1.345 1.00 0.40 C ATOM 665 C ARG A 41 7.450 -7.620 -1.285 1.00 0.41 C ATOM 666 O ARG A 41 8.024 -6.772 -1.983 1.00 0.43 O ATOM 667 CB ARG A 41 5.490 -8.042 -2.787 1.00 0.46 C ATOM 668 CG ARG A 41 6.070 -9.320 -3.370 1.00 0.58 C ATOM 669 CD ARG A 41 5.304 -9.787 -4.595 1.00 0.88 C ATOM 670 NE ARG A 41 4.389 -10.879 -4.274 1.00 0.95 N ATOM 671 CZ ARG A 41 3.756 -11.606 -5.188 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.935 -11.354 -6.477 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.945 -12.587 -4.814 1.00 1.44 N ATOM 0 H ARG A 41 5.420 -5.761 -1.382 1.00 0.36 H new ATOM 0 HA ARG A 41 5.640 -8.639 -0.741 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.402 -8.096 -2.820 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.786 -7.198 -3.410 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.114 -9.155 -3.637 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.054 -10.104 -2.612 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.742 -8.952 -5.013 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.007 -10.114 -5.361 1.00 0.88 H new ATOM 0 HE ARG A 41 4.227 -11.096 -3.291 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.559 -10.601 -6.768 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.449 -11.913 -7.178 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.806 -12.784 -3.823 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.460 -13.144 -5.518 1.00 1.44 H new ATOM 687 N ASP A 42 8.082 -8.430 -0.439 1.00 0.50 N ATOM 688 CA ASP A 42 9.528 -8.387 -0.265 1.00 0.57 C ATOM 689 C ASP A 42 10.224 -9.175 -1.364 1.00 0.62 C ATOM 690 O ASP A 42 10.286 -10.401 -1.319 1.00 0.91 O ATOM 691 CB ASP A 42 9.920 -8.950 1.104 1.00 0.71 C ATOM 692 CG ASP A 42 8.925 -8.591 2.190 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.291 -7.521 2.084 1.00 1.49 O ATOM 694 OD2 ASP A 42 8.778 -9.382 3.147 1.00 1.59 O ATOM 0 H ASP A 42 7.611 -9.127 0.138 1.00 0.50 H new ATOM 0 HA ASP A 42 9.845 -7.346 -0.324 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.002 -10.035 1.036 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.905 -8.572 1.379 1.00 0.71 H new ATOM 699 N LEU A 43 10.746 -8.462 -2.349 1.00 0.63 N ATOM 700 CA LEU A 43 11.438 -9.093 -3.465 1.00 0.68 C ATOM 701 C LEU A 43 12.840 -9.538 -3.043 1.00 0.81 C ATOM 702 O LEU A 43 13.406 -8.992 -2.096 1.00 0.90 O ATOM 703 CB LEU A 43 11.500 -8.121 -4.645 1.00 0.62 C ATOM 704 CG LEU A 43 10.188 -7.381 -4.920 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.421 -6.164 -5.796 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.172 -8.314 -5.559 1.00 0.70 C ATOM 0 H LEU A 43 10.704 -7.444 -2.400 1.00 0.63 H new ATOM 0 HA LEU A 43 10.888 -9.982 -3.774 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.284 -7.388 -4.456 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.787 -8.672 -5.540 1.00 0.62 H new ATOM 0 HG LEU A 43 9.789 -7.037 -3.966 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.472 -5.658 -5.975 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.108 -5.481 -5.295 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.850 -6.477 -6.748 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.246 -7.770 -5.747 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.568 -8.693 -6.501 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.972 -9.149 -4.888 1.00 0.70 H new ATOM 718 N PRO A 44 13.422 -10.544 -3.728 1.00 0.92 N ATOM 719 CA PRO A 44 12.803 -11.232 -4.858 1.00 0.99 C ATOM 720 C PRO A 44 11.928 -12.410 -4.441 1.00 1.15 C ATOM 721 O PRO A 44 11.475 -13.182 -5.288 1.00 1.43 O ATOM 722 CB PRO A 44 14.002 -11.727 -5.675 1.00 1.15 C ATOM 723 CG PRO A 44 15.203 -11.639 -4.777 1.00 1.25 C ATOM 724 CD PRO A 44 14.753 -11.086 -3.448 1.00 1.08 C ATOM 0 HA PRO A 44 12.131 -10.569 -5.404 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.845 -12.752 -6.011 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.141 -11.117 -6.567 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.654 -12.623 -4.647 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.963 -10.995 -5.220 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.716 -11.862 -2.684 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.431 -10.314 -3.086 1.00 1.08 H new ATOM 732 N ASN A 45 11.684 -12.553 -3.141 1.00 1.14 N ATOM 733 CA ASN A 45 10.851 -13.650 -2.649 1.00 1.33 C ATOM 734 C ASN A 45 9.374 -13.294 -2.790 1.00 1.43 C ATOM 735 O ASN A 45 8.685 -13.801 -3.674 1.00 2.42 O ATOM 736 CB ASN A 45 11.185 -14.007 -1.193 1.00 1.66 C ATOM 737 CG ASN A 45 11.621 -12.818 -0.356 1.00 1.93 C ATOM 738 OD1 ASN A 45 10.799 -12.153 0.275 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.922 -12.548 -0.342 1.00 1.89 N ATOM 0 H ASN A 45 12.045 -11.933 -2.416 1.00 1.14 H new ATOM 0 HA ASN A 45 11.063 -14.529 -3.257 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.310 -14.464 -0.731 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.977 -14.756 -1.185 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.274 -11.764 0.207 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.568 -13.125 -0.880 1.00 1.89 H new ATOM 746 N GLY A 46 8.898 -12.407 -1.926 1.00 0.90 N ATOM 747 CA GLY A 46 7.513 -11.983 -1.986 1.00 1.12 C ATOM 748 C GLY A 46 6.607 -12.703 -1.007 1.00 0.76 C ATOM 749 O GLY A 46 6.900 -13.817 -0.575 1.00 0.96 O ATOM 0 H GLY A 46 9.447 -11.973 -1.184 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.463 -10.912 -1.792 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.138 -12.142 -2.997 1.00 1.12 H new ATOM 753 N ARG A 47 5.496 -12.048 -0.663 1.00 0.80 N ATOM 754 CA ARG A 47 4.508 -12.592 0.272 1.00 0.76 C ATOM 755 C ARG A 47 3.630 -11.466 0.809 1.00 0.85 C ATOM 756 O ARG A 47 3.635 -11.183 2.005 1.00 1.71 O ATOM 757 CB ARG A 47 5.191 -13.305 1.438 1.00 0.99 C ATOM 758 CG ARG A 47 6.335 -12.505 2.026 1.00 1.31 C ATOM 759 CD ARG A 47 5.945 -11.887 3.356 1.00 1.11 C ATOM 760 NE ARG A 47 6.704 -12.454 4.467 1.00 1.41 N ATOM 761 CZ ARG A 47 6.644 -11.993 5.714 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.863 -10.962 6.007 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.364 -12.566 6.669 1.00 2.03 N ATOM 0 H ARG A 47 5.256 -11.125 -1.025 1.00 0.80 H new ATOM 0 HA ARG A 47 3.894 -13.315 -0.265 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.455 -13.505 2.217 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.566 -14.271 1.098 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.202 -13.151 2.163 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.629 -11.720 1.329 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.109 -10.810 3.317 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.880 -12.041 3.529 1.00 1.11 H new ATOM 0 HE ARG A 47 7.315 -13.248 4.277 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.306 -10.520 5.276 1.00 2.41 H new ATOM 0 HH12 ARG A 47 5.819 -10.611 6.964 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.964 -13.361 6.448 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.318 -12.212 7.625 1.00 2.03 H new ATOM 777 N TRP A 48 2.890 -10.824 -0.099 1.00 0.50 N ATOM 778 CA TRP A 48 1.992 -9.703 0.230 1.00 0.43 C ATOM 779 C TRP A 48 1.449 -9.785 1.655 1.00 0.45 C ATOM 780 O TRP A 48 0.567 -10.593 1.950 1.00 0.65 O ATOM 781 CB TRP A 48 0.815 -9.650 -0.745 1.00 0.47 C ATOM 782 CG TRP A 48 1.223 -9.535 -2.180 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.093 -10.492 -3.141 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.822 -8.400 -2.819 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.574 -10.025 -4.338 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.026 -8.744 -4.168 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.205 -7.127 -2.387 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.596 -7.864 -5.085 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.771 -6.254 -3.297 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.961 -6.626 -4.633 1.00 0.38 C ATOM 0 H TRP A 48 2.894 -11.065 -1.090 1.00 0.50 H new ATOM 0 HA TRP A 48 2.592 -8.797 0.146 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.211 -10.549 -0.620 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.181 -8.801 -0.488 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.673 -11.474 -2.984 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.592 -10.548 -5.214 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.061 -6.830 -1.359 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.744 -8.149 -6.116 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.072 -5.269 -2.972 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.405 -5.921 -5.321 1.00 0.38 H new ATOM 801 N LEU A 49 1.981 -8.945 2.534 1.00 0.38 N ATOM 802 CA LEU A 49 1.550 -8.924 3.924 1.00 0.42 C ATOM 803 C LEU A 49 1.263 -7.500 4.385 1.00 0.36 C ATOM 804 O LEU A 49 2.073 -6.594 4.185 1.00 0.39 O ATOM 805 CB LEU A 49 2.609 -9.568 4.817 1.00 0.52 C ATOM 806 CG LEU A 49 2.111 -10.743 5.661 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.009 -10.289 6.607 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.616 -11.868 4.765 1.00 0.84 C ATOM 0 H LEU A 49 2.711 -8.270 2.308 1.00 0.38 H new ATOM 0 HA LEU A 49 0.627 -9.498 4.002 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.431 -9.912 4.190 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.014 -8.806 5.484 1.00 0.52 H new ATOM 0 HG LEU A 49 2.943 -11.118 6.257 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.666 -11.137 7.200 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.395 -9.515 7.270 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.175 -9.889 6.029 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.265 -12.696 5.381 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.797 -11.505 4.144 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.431 -12.210 4.127 1.00 0.84 H new ATOM 820 N LYS A 50 0.102 -7.313 5.000 1.00 0.40 N ATOM 821 CA LYS A 50 -0.307 -6.003 5.491 1.00 0.40 C ATOM 822 C LYS A 50 0.725 -5.419 6.451 1.00 0.47 C ATOM 823 O LYS A 50 0.661 -5.649 7.659 1.00 0.85 O ATOM 824 CB LYS A 50 -1.662 -6.102 6.193 1.00 0.59 C ATOM 825 CG LYS A 50 -1.710 -7.165 7.279 1.00 0.72 C ATOM 826 CD LYS A 50 -3.136 -7.427 7.739 1.00 1.03 C ATOM 827 CE LYS A 50 -3.734 -6.208 8.422 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.619 -6.288 9.902 1.00 1.30 N ATOM 0 H LYS A 50 -0.576 -8.056 5.171 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.388 -5.338 4.631 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.905 -5.135 6.632 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.431 -6.318 5.451 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.272 -8.090 6.904 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.105 -6.847 8.128 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.751 -7.703 6.882 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.148 -8.273 8.426 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.230 -5.309 8.067 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.784 -6.115 8.144 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.039 -5.438 10.329 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.122 -7.132 10.244 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.616 -6.351 10.169 1.00 1.30 H new ATOM 842 N ALA A 51 1.670 -4.655 5.910 1.00 0.45 N ATOM 843 CA ALA A 51 2.703 -4.031 6.731 1.00 0.63 C ATOM 844 C ALA A 51 2.071 -3.082 7.735 1.00 0.55 C ATOM 845 O ALA A 51 2.280 -3.202 8.942 1.00 0.72 O ATOM 846 CB ALA A 51 3.699 -3.284 5.859 1.00 0.86 C ATOM 0 H ALA A 51 1.742 -4.454 4.913 1.00 0.45 H new ATOM 0 HA ALA A 51 3.235 -4.814 7.271 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.462 -2.825 6.489 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.171 -3.981 5.167 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.180 -2.509 5.295 1.00 0.86 H new ATOM 852 N ASN A 52 1.288 -2.140 7.221 1.00 0.42 N ATOM 853 CA ASN A 52 0.605 -1.157 8.064 1.00 0.43 C ATOM 854 C ASN A 52 -0.029 -1.827 9.285 1.00 0.59 C ATOM 855 O ASN A 52 -0.970 -2.608 9.157 1.00 1.60 O ATOM 856 CB ASN A 52 -0.471 -0.426 7.257 1.00 0.38 C ATOM 857 CG ASN A 52 -1.642 -1.325 6.905 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.523 -2.219 6.067 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.782 -1.091 7.546 1.00 0.62 N ATOM 0 H ASN A 52 1.108 -2.034 6.223 1.00 0.42 H new ATOM 0 HA ASN A 52 1.346 -0.437 8.412 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.832 0.429 7.829 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.030 -0.033 6.341 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.604 -1.663 7.351 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.836 -0.339 8.233 1.00 0.62 H new ATOM 866 N PHE A 53 0.501 -1.521 10.465 1.00 0.81 N ATOM 867 CA PHE A 53 -0.008 -2.100 11.704 1.00 0.82 C ATOM 868 C PHE A 53 -1.036 -1.189 12.369 1.00 0.84 C ATOM 869 O PHE A 53 -1.013 -1.000 13.585 1.00 1.20 O ATOM 870 CB PHE A 53 1.142 -2.368 12.673 1.00 0.96 C ATOM 871 CG PHE A 53 1.041 -3.700 13.351 1.00 1.15 C ATOM 872 CD1 PHE A 53 0.989 -4.862 12.604 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.995 -3.790 14.733 1.00 1.68 C ATOM 874 CE1 PHE A 53 0.892 -6.092 13.218 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.900 -5.019 15.356 1.00 2.08 C ATOM 876 CZ PHE A 53 0.848 -6.172 14.598 1.00 1.96 C ATOM 0 H PHE A 53 1.282 -0.876 10.590 1.00 0.81 H new ATOM 0 HA PHE A 53 -0.499 -3.039 11.450 1.00 0.82 H new ATOM 0 HB2 PHE A 53 2.086 -2.314 12.131 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.163 -1.583 13.429 1.00 0.96 H new ATOM 0 HD1 PHE A 53 1.025 -4.805 11.526 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.034 -2.890 15.329 1.00 1.68 H new ATOM 0 HE1 PHE A 53 0.850 -6.992 12.622 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.866 -5.078 16.434 1.00 2.08 H new ATOM 0 HZ PHE A 53 0.773 -7.135 15.082 1.00 1.96 H new ATOM 886 N SER A 54 -1.940 -0.629 11.572 1.00 0.79 N ATOM 887 CA SER A 54 -2.972 0.257 12.101 1.00 0.89 C ATOM 888 C SER A 54 -4.047 0.536 11.058 1.00 0.95 C ATOM 889 O SER A 54 -3.912 0.159 9.894 1.00 1.89 O ATOM 890 CB SER A 54 -2.350 1.573 12.574 1.00 1.00 C ATOM 891 OG SER A 54 -3.155 2.193 13.559 1.00 1.71 O ATOM 0 H SER A 54 -1.980 -0.771 10.563 1.00 0.79 H new ATOM 0 HA SER A 54 -3.440 -0.243 12.948 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.356 1.384 12.979 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.226 2.246 11.725 1.00 1.00 H new ATOM 0 HG SER A 54 -2.735 3.031 13.845 1.00 1.71 H new ATOM 897 N ASN A 55 -5.116 1.201 11.486 1.00 0.75 N ATOM 898 CA ASN A 55 -6.220 1.536 10.593 1.00 0.69 C ATOM 899 C ASN A 55 -5.872 2.742 9.728 1.00 0.66 C ATOM 900 O ASN A 55 -5.686 3.849 10.233 1.00 1.05 O ATOM 901 CB ASN A 55 -7.487 1.820 11.400 1.00 0.84 C ATOM 902 CG ASN A 55 -8.750 1.470 10.638 1.00 1.11 C ATOM 903 OD1 ASN A 55 -9.563 0.668 11.095 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.919 2.073 9.466 1.00 0.83 N ATOM 0 H ASN A 55 -5.241 1.519 12.447 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.398 0.682 9.939 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.457 1.251 12.329 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -7.511 2.875 11.673 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.749 1.877 8.907 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.218 2.732 9.126 1.00 0.83 H new ATOM 911 N ILE A 56 -5.789 2.518 8.422 1.00 0.40 N ATOM 912 CA ILE A 56 -5.464 3.583 7.481 1.00 0.33 C ATOM 913 C ILE A 56 -6.730 4.172 6.866 1.00 0.31 C ATOM 914 O ILE A 56 -7.201 3.712 5.826 1.00 0.53 O ATOM 915 CB ILE A 56 -4.546 3.066 6.358 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.333 2.349 6.952 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.103 4.208 5.458 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.368 1.825 5.912 1.00 0.69 C ATOM 0 H ILE A 56 -5.943 1.607 7.990 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.942 4.361 8.038 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.108 2.355 5.753 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.804 3.035 7.613 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.678 1.517 7.566 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.455 3.821 4.671 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.978 4.678 5.009 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.558 4.945 6.047 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.533 1.329 6.407 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.881 1.113 5.265 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.993 2.655 5.313 1.00 0.69 H new ATOM 930 N LEU A 57 -7.278 5.191 7.521 1.00 0.44 N ATOM 931 CA LEU A 57 -8.493 5.845 7.046 1.00 0.45 C ATOM 932 C LEU A 57 -8.285 6.464 5.666 1.00 0.42 C ATOM 933 O LEU A 57 -8.682 5.888 4.652 1.00 0.60 O ATOM 934 CB LEU A 57 -8.934 6.922 8.040 1.00 0.48 C ATOM 935 CG LEU A 57 -10.226 6.611 8.799 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.558 7.738 9.767 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.374 6.385 7.826 1.00 0.72 C ATOM 0 H LEU A 57 -6.899 5.582 8.384 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.273 5.088 6.965 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.134 7.077 8.763 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -9.064 7.861 7.502 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.078 5.697 9.374 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.480 7.501 10.299 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.745 7.853 10.484 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.688 8.667 9.213 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -12.285 6.165 8.383 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.524 7.282 7.225 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -11.137 5.546 7.172 1.00 0.72 H new ATOM 949 N GLU A 58 -7.663 7.638 5.633 1.00 0.39 N ATOM 950 CA GLU A 58 -7.405 8.330 4.381 1.00 0.43 C ATOM 951 C GLU A 58 -6.502 7.500 3.484 1.00 0.51 C ATOM 952 O GLU A 58 -5.974 6.468 3.897 1.00 1.09 O ATOM 953 CB GLU A 58 -6.766 9.692 4.646 1.00 0.44 C ATOM 954 CG GLU A 58 -5.627 9.641 5.648 1.00 0.44 C ATOM 955 CD GLU A 58 -5.867 10.536 6.847 1.00 0.75 C ATOM 956 OE1 GLU A 58 -6.593 11.542 6.700 1.00 1.29 O ATOM 957 OE2 GLU A 58 -5.329 10.230 7.932 1.00 1.54 O ATOM 0 H GLU A 58 -7.329 8.129 6.462 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.358 8.479 3.874 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.394 10.099 3.706 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.530 10.378 5.011 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.492 8.614 5.987 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.701 9.939 5.156 1.00 0.44 H new ATOM 964 N ASN A 59 -6.331 7.959 2.255 1.00 0.31 N ATOM 965 CA ASN A 59 -5.493 7.258 1.293 1.00 0.28 C ATOM 966 C ASN A 59 -4.031 7.702 1.387 1.00 0.28 C ATOM 967 O ASN A 59 -3.222 7.380 0.518 1.00 0.49 O ATOM 968 CB ASN A 59 -6.025 7.475 -0.124 1.00 0.32 C ATOM 969 CG ASN A 59 -6.208 8.941 -0.457 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.867 9.818 0.337 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.750 9.216 -1.638 1.00 0.91 N ATOM 0 H ASN A 59 -6.760 8.813 1.899 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.530 6.195 1.531 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.336 7.026 -0.840 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.979 6.959 -0.233 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.898 10.186 -1.918 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.018 8.458 -2.265 1.00 0.91 H new ATOM 978 N GLU A 60 -3.693 8.430 2.451 1.00 0.29 N ATOM 979 CA GLU A 60 -2.328 8.898 2.659 1.00 0.29 C ATOM 980 C GLU A 60 -1.702 8.145 3.820 1.00 0.27 C ATOM 981 O GLU A 60 -2.083 8.340 4.974 1.00 0.35 O ATOM 982 CB GLU A 60 -2.306 10.403 2.934 1.00 0.34 C ATOM 983 CG GLU A 60 -0.907 10.959 3.155 1.00 0.49 C ATOM 984 CD GLU A 60 -0.912 12.436 3.493 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.740 13.174 2.918 1.00 1.91 O ATOM 986 OE2 GLU A 60 -0.088 12.855 4.334 1.00 2.05 O ATOM 0 H GLU A 60 -4.348 8.707 3.182 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.752 8.709 1.753 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.767 10.924 2.095 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.915 10.613 3.813 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.424 10.407 3.962 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.310 10.798 2.257 1.00 0.49 H new ATOM 993 N PHE A 61 -0.756 7.268 3.514 1.00 0.24 N ATOM 994 CA PHE A 61 -0.110 6.477 4.551 1.00 0.24 C ATOM 995 C PHE A 61 1.360 6.226 4.246 1.00 0.24 C ATOM 996 O PHE A 61 1.816 6.415 3.118 1.00 0.25 O ATOM 997 CB PHE A 61 -0.846 5.145 4.695 1.00 0.28 C ATOM 998 CG PHE A 61 -0.269 4.232 5.734 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.760 3.361 5.411 1.00 0.37 C ATOM 1000 CD2 PHE A 61 -0.747 4.246 7.034 1.00 0.41 C ATOM 1001 CE1 PHE A 61 1.299 2.521 6.366 1.00 0.44 C ATOM 1002 CE2 PHE A 61 -0.212 3.414 7.985 1.00 0.48 C ATOM 1003 CZ PHE A 61 0.789 2.535 7.658 1.00 0.48 C ATOM 0 H PHE A 61 -0.422 7.088 2.567 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.156 7.039 5.484 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.889 5.344 4.942 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.838 4.633 3.733 1.00 0.28 H new ATOM 0 HD1 PHE A 61 1.144 3.339 4.402 1.00 0.37 H new ATOM 0 HD2 PHE A 61 -1.549 4.918 7.302 1.00 0.41 H new ATOM 0 HE1 PHE A 61 2.112 1.858 6.110 1.00 0.44 H new ATOM 0 HE2 PHE A 61 -0.582 3.452 8.999 1.00 0.48 H new ATOM 0 HZ PHE A 61 1.179 1.856 8.402 1.00 0.48 H new ATOM 1013 N THR A 62 2.093 5.788 5.265 1.00 0.25 N ATOM 1014 CA THR A 62 3.508 5.496 5.117 1.00 0.27 C ATOM 1015 C THR A 62 3.777 4.042 5.425 1.00 0.29 C ATOM 1016 O THR A 62 3.636 3.601 6.564 1.00 0.35 O ATOM 1017 CB THR A 62 4.358 6.402 6.010 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.182 7.762 5.658 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.841 6.097 5.939 1.00 0.37 C ATOM 0 H THR A 62 1.726 5.628 6.203 1.00 0.25 H new ATOM 0 HA THR A 62 3.788 5.693 4.082 1.00 0.27 H new ATOM 0 HB THR A 62 4.013 6.209 7.026 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.733 8.325 6.241 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.384 6.776 6.596 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.016 5.069 6.255 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.190 6.227 4.915 1.00 0.37 H new ATOM 1027 N VAL A 63 4.168 3.299 4.400 1.00 0.31 N ATOM 1028 CA VAL A 63 4.445 1.882 4.577 1.00 0.36 C ATOM 1029 C VAL A 63 5.822 1.681 5.180 1.00 0.38 C ATOM 1030 O VAL A 63 6.817 1.551 4.468 1.00 0.50 O ATOM 1031 CB VAL A 63 4.294 1.063 3.269 1.00 0.44 C ATOM 1032 CG1 VAL A 63 2.917 0.425 3.217 1.00 0.58 C ATOM 1033 CG2 VAL A 63 4.523 1.912 2.053 1.00 1.08 C ATOM 0 H VAL A 63 4.299 3.647 3.450 1.00 0.31 H new ATOM 0 HA VAL A 63 3.692 1.501 5.267 1.00 0.36 H new ATOM 0 HB VAL A 63 5.055 0.282 3.270 1.00 0.44 H new ATOM 0 HG11 VAL A 63 2.817 -0.149 2.296 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.790 -0.238 4.073 1.00 0.58 H new ATOM 0 HG13 VAL A 63 2.154 1.203 3.245 1.00 0.58 H new ATOM 0 HG21 VAL A 63 4.408 1.302 1.157 1.00 1.08 H new ATOM 0 HG22 VAL A 63 3.797 2.724 2.034 1.00 1.08 H new ATOM 0 HG23 VAL A 63 5.531 2.327 2.083 1.00 1.08 H new ATOM 1043 N SER A 64 5.862 1.670 6.508 1.00 0.49 N ATOM 1044 CA SER A 64 7.104 1.499 7.246 1.00 0.55 C ATOM 1045 C SER A 64 7.402 0.025 7.474 1.00 0.63 C ATOM 1046 O SER A 64 6.660 -0.848 7.024 1.00 0.99 O ATOM 1047 CB SER A 64 7.017 2.228 8.588 1.00 0.63 C ATOM 1048 OG SER A 64 8.115 1.907 9.424 1.00 1.33 O ATOM 0 H SER A 64 5.038 1.779 7.099 1.00 0.49 H new ATOM 0 HA SER A 64 7.915 1.925 6.656 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.990 3.304 8.418 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.086 1.961 9.089 1.00 0.63 H new ATOM 0 HG SER A 64 8.032 2.389 10.273 1.00 1.33 H new ATOM 1054 N GLY A 65 8.496 -0.244 8.175 1.00 0.71 N ATOM 1055 CA GLY A 65 8.877 -1.613 8.454 1.00 0.78 C ATOM 1056 C GLY A 65 9.659 -2.248 7.320 1.00 0.72 C ATOM 1057 O GLY A 65 9.937 -3.447 7.356 1.00 0.90 O ATOM 0 H GLY A 65 9.126 0.463 8.555 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.478 -1.640 9.363 1.00 0.78 H new ATOM 0 HA3 GLY A 65 7.981 -2.203 8.646 1.00 0.78 H new ATOM 1061 N LEU A 66 10.018 -1.457 6.311 1.00 0.64 N ATOM 1062 CA LEU A 66 10.772 -1.984 5.183 1.00 0.65 C ATOM 1063 C LEU A 66 12.265 -1.999 5.487 1.00 0.59 C ATOM 1064 O LEU A 66 12.708 -1.482 6.512 1.00 0.65 O ATOM 1065 CB LEU A 66 10.485 -1.186 3.905 1.00 0.74 C ATOM 1066 CG LEU A 66 10.805 0.302 3.961 1.00 0.89 C ATOM 1067 CD1 LEU A 66 12.159 0.570 3.329 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.716 1.108 3.262 1.00 0.89 C ATOM 0 H LEU A 66 9.801 -0.462 6.254 1.00 0.64 H new ATOM 0 HA LEU A 66 10.448 -3.012 5.017 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.054 -1.629 3.088 1.00 0.74 H new ATOM 0 HB3 LEU A 66 9.430 -1.301 3.658 1.00 0.74 H new ATOM 0 HG LEU A 66 10.842 0.613 5.005 1.00 0.89 H new ATOM 0 HD11 LEU A 66 12.377 1.637 3.375 1.00 1.47 H new ATOM 0 HD12 LEU A 66 12.928 0.019 3.870 1.00 1.47 H new ATOM 0 HD13 LEU A 66 12.145 0.247 2.288 1.00 1.47 H new ATOM 0 HD21 LEU A 66 9.960 2.169 3.311 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.648 0.799 2.219 1.00 0.89 H new ATOM 0 HD23 LEU A 66 8.760 0.933 3.755 1.00 0.89 H new ATOM 1080 N THR A 67 13.031 -2.610 4.594 1.00 0.65 N ATOM 1081 CA THR A 67 14.478 -2.717 4.762 1.00 0.69 C ATOM 1082 C THR A 67 15.222 -2.078 3.594 1.00 0.72 C ATOM 1083 O THR A 67 14.614 -1.665 2.608 1.00 1.06 O ATOM 1084 CB THR A 67 14.879 -4.188 4.890 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.900 -4.914 5.610 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.207 -4.393 5.590 1.00 0.99 C ATOM 0 H THR A 67 12.675 -3.042 3.741 1.00 0.65 H new ATOM 0 HA THR A 67 14.753 -2.182 5.671 1.00 0.69 H new ATOM 0 HB THR A 67 14.968 -4.550 3.866 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.232 -5.269 4.987 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.428 -5.459 5.646 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.995 -3.888 5.031 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.155 -3.980 6.597 1.00 0.99 H new ATOM 1094 N GLU A 68 16.544 -2.000 3.718 1.00 0.66 N ATOM 1095 CA GLU A 68 17.382 -1.413 2.682 1.00 0.67 C ATOM 1096 C GLU A 68 17.870 -2.474 1.700 1.00 0.60 C ATOM 1097 O GLU A 68 17.702 -3.671 1.928 1.00 0.69 O ATOM 1098 CB GLU A 68 18.580 -0.710 3.318 1.00 0.76 C ATOM 1099 CG GLU A 68 18.729 0.734 2.881 1.00 0.96 C ATOM 1100 CD GLU A 68 19.927 1.417 3.512 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.062 0.940 3.299 1.00 1.91 O ATOM 1102 OE2 GLU A 68 19.730 2.428 4.218 1.00 1.89 O ATOM 0 H GLU A 68 17.058 -2.339 4.531 1.00 0.66 H new ATOM 0 HA GLU A 68 16.782 -0.688 2.132 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.480 -0.746 4.403 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.489 -1.255 3.064 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.824 0.773 1.796 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.824 1.283 3.142 1.00 0.96 H new ATOM 1109 N ASP A 69 18.479 -2.022 0.607 1.00 0.52 N ATOM 1110 CA ASP A 69 18.998 -2.927 -0.413 1.00 0.49 C ATOM 1111 C ASP A 69 17.971 -3.995 -0.777 1.00 0.44 C ATOM 1112 O ASP A 69 18.324 -5.140 -1.054 1.00 0.54 O ATOM 1113 CB ASP A 69 20.284 -3.591 0.078 1.00 0.59 C ATOM 1114 CG ASP A 69 20.201 -5.105 0.050 1.00 1.06 C ATOM 1115 OD1 ASP A 69 19.676 -5.689 1.020 1.00 1.66 O ATOM 1116 OD2 ASP A 69 20.662 -5.706 -0.944 1.00 1.87 O ATOM 0 H ASP A 69 18.625 -1.033 0.405 1.00 0.52 H new ATOM 0 HA ASP A 69 19.212 -2.340 -1.306 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.118 -3.264 -0.543 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.495 -3.260 1.095 1.00 0.59 H new ATOM 1121 N ALA A 70 16.699 -3.612 -0.769 1.00 0.40 N ATOM 1122 CA ALA A 70 15.626 -4.540 -1.095 1.00 0.40 C ATOM 1123 C ALA A 70 14.468 -3.831 -1.776 1.00 0.35 C ATOM 1124 O ALA A 70 13.797 -2.994 -1.170 1.00 0.36 O ATOM 1125 CB ALA A 70 15.135 -5.237 0.161 1.00 0.49 C ATOM 0 H ALA A 70 16.388 -2.668 -0.541 1.00 0.40 H new ATOM 0 HA ALA A 70 16.026 -5.281 -1.787 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.333 -5.928 -0.097 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.957 -5.789 0.616 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.762 -4.495 0.867 1.00 0.49 H new ATOM 1131 N ALA A 71 14.228 -4.176 -3.032 1.00 0.33 N ATOM 1132 CA ALA A 71 13.136 -3.575 -3.778 1.00 0.30 C ATOM 1133 C ALA A 71 11.806 -4.031 -3.196 1.00 0.27 C ATOM 1134 O ALA A 71 11.547 -5.229 -3.082 1.00 0.36 O ATOM 1135 CB ALA A 71 13.249 -3.918 -5.256 1.00 0.34 C ATOM 0 H ALA A 71 14.772 -4.865 -3.552 1.00 0.33 H new ATOM 0 HA ALA A 71 13.192 -2.490 -3.691 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.423 -3.460 -5.800 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.194 -3.540 -5.646 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.211 -5.000 -5.382 1.00 0.34 H new ATOM 1141 N TYR A 72 10.973 -3.073 -2.798 1.00 0.24 N ATOM 1142 CA TYR A 72 9.687 -3.397 -2.193 1.00 0.24 C ATOM 1143 C TYR A 72 8.497 -2.907 -3.006 1.00 0.21 C ATOM 1144 O TYR A 72 8.343 -1.708 -3.240 1.00 0.23 O ATOM 1145 CB TYR A 72 9.601 -2.778 -0.802 1.00 0.30 C ATOM 1146 CG TYR A 72 10.385 -3.515 0.245 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.827 -4.602 0.897 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.677 -3.125 0.588 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.525 -5.290 1.862 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.385 -3.810 1.555 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.805 -4.891 2.191 1.00 0.46 C ATOM 1152 OH TYR A 72 12.509 -5.575 3.156 1.00 0.56 O ATOM 0 H TYR A 72 11.164 -2.075 -2.883 1.00 0.24 H new ATOM 0 HA TYR A 72 9.637 -4.485 -2.151 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.958 -1.749 -0.851 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.555 -2.739 -0.497 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.825 -4.915 0.643 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.129 -2.279 0.093 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.075 -6.137 2.359 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.388 -3.502 1.813 1.00 0.42 H new ATOM 0 HH TYR A 72 13.398 -5.802 2.813 1.00 0.56 H new ATOM 1162 N GLU A 73 7.633 -3.840 -3.392 1.00 0.21 N ATOM 1163 CA GLU A 73 6.424 -3.501 -4.137 1.00 0.21 C ATOM 1164 C GLU A 73 5.250 -3.553 -3.169 1.00 0.23 C ATOM 1165 O GLU A 73 5.180 -4.464 -2.352 1.00 0.32 O ATOM 1166 CB GLU A 73 6.211 -4.481 -5.293 1.00 0.25 C ATOM 1167 CG GLU A 73 5.942 -3.802 -6.627 1.00 0.65 C ATOM 1168 CD GLU A 73 6.039 -4.759 -7.799 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.933 -5.632 -7.779 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.224 -4.635 -8.736 1.00 1.32 O ATOM 0 H GLU A 73 7.746 -4.836 -3.202 1.00 0.21 H new ATOM 0 HA GLU A 73 6.514 -2.503 -4.567 1.00 0.21 H new ATOM 0 HB2 GLU A 73 7.093 -5.114 -5.389 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.373 -5.136 -5.053 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.948 -3.355 -6.609 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.654 -2.989 -6.767 1.00 0.65 H new ATOM 1177 N PHE A 74 4.337 -2.586 -3.217 1.00 0.22 N ATOM 1178 CA PHE A 74 3.221 -2.626 -2.254 1.00 0.28 C ATOM 1179 C PHE A 74 1.860 -2.250 -2.831 1.00 0.25 C ATOM 1180 O PHE A 74 1.677 -1.176 -3.397 1.00 0.30 O ATOM 1181 CB PHE A 74 3.495 -1.737 -1.026 1.00 0.39 C ATOM 1182 CG PHE A 74 4.820 -1.032 -1.026 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.026 0.091 -1.810 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.859 -1.500 -0.245 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.249 0.734 -1.814 1.00 0.60 C ATOM 1186 CE2 PHE A 74 7.083 -0.865 -0.244 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.262 0.283 -1.025 1.00 0.53 C ATOM 0 H PHE A 74 4.335 -1.803 -3.870 1.00 0.22 H new ATOM 0 HA PHE A 74 3.169 -3.676 -1.965 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.705 -0.990 -0.956 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.431 -2.354 -0.130 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.222 0.468 -2.425 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.711 -2.374 0.372 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.401 1.597 -2.445 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.896 -1.250 0.354 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.204 0.811 -1.001 1.00 0.53 H new ATOM 1197 N ARG A 75 0.898 -3.146 -2.624 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.477 -2.938 -3.060 1.00 0.34 C ATOM 1199 C ARG A 75 -1.302 -2.504 -1.858 1.00 0.31 C ATOM 1200 O ARG A 75 -0.758 -2.341 -0.766 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.058 -4.224 -3.664 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.532 -5.497 -3.018 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.474 -6.672 -3.224 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.979 -7.598 -4.243 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.325 -7.558 -5.531 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.175 -6.640 -5.980 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.816 -8.444 -6.376 1.00 1.87 N ATOM 0 H ARG A 75 1.051 -4.036 -2.149 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.502 -2.168 -3.831 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.144 -4.201 -3.569 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.832 -4.248 -4.730 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.445 -5.738 -3.436 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.390 -5.330 -1.950 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.601 -7.204 -2.281 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.457 -6.302 -3.517 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.325 -8.323 -3.949 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.572 -5.954 -5.337 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.431 -6.621 -6.967 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.163 -9.152 -6.040 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.077 -8.417 -7.362 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.601 -2.318 -2.033 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.429 -1.910 -0.906 1.00 0.39 C ATOM 1223 C VAL A 76 -4.846 -2.460 -0.990 1.00 0.31 C ATOM 1224 O VAL A 76 -5.672 -1.985 -1.767 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.461 -0.360 -0.724 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.507 0.358 -2.057 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.630 0.094 0.150 1.00 0.47 C ATOM 0 H VAL A 76 -3.095 -2.438 -2.917 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.956 -2.345 -0.026 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.534 -0.094 -0.216 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.528 1.435 -1.890 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.624 0.099 -2.641 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.402 0.058 -2.601 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.611 1.179 0.248 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.569 -0.212 -0.311 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.545 -0.361 1.137 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.119 -3.440 -0.140 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.427 -4.031 -0.055 1.00 0.31 C ATOM 1239 C ILE A 77 -7.215 -3.198 0.945 1.00 0.30 C ATOM 1240 O ILE A 77 -6.619 -2.558 1.810 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.341 -5.499 0.409 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.707 -6.359 -0.683 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.714 -6.026 0.770 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.064 -7.626 -0.164 1.00 0.42 C ATOM 0 H ILE A 77 -4.436 -3.839 0.504 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.913 -4.038 -1.031 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.714 -5.546 1.299 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.471 -6.623 -1.414 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.955 -5.769 -1.207 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.632 -7.063 1.095 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.134 -5.425 1.577 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.366 -5.969 -0.102 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.636 -8.184 -0.997 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.276 -7.370 0.545 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.816 -8.238 0.334 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.531 -3.175 0.844 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.296 -2.366 1.784 1.00 0.30 C ATOM 1258 C ALA A 78 -10.750 -2.779 1.881 1.00 0.34 C ATOM 1259 O ALA A 78 -11.459 -2.845 0.878 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.202 -0.897 1.396 1.00 0.39 C ATOM 0 H ALA A 78 -9.079 -3.684 0.151 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.857 -2.527 2.768 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.776 -0.297 2.102 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.159 -0.582 1.415 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.604 -0.759 0.392 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.195 -3.031 3.106 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.575 -3.408 3.339 1.00 0.43 C ATOM 1268 C LYS A 79 -13.455 -2.178 3.247 1.00 0.59 C ATOM 1269 O LYS A 79 -13.063 -1.171 2.658 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.750 -4.077 4.704 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.524 -4.821 5.198 1.00 1.07 C ATOM 1272 CD LYS A 79 -11.869 -5.721 6.372 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.397 -7.146 6.138 1.00 1.71 C ATOM 1274 NZ LYS A 79 -11.421 -7.955 7.389 1.00 1.98 N ATOM 0 H LYS A 79 -10.620 -2.980 3.947 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.867 -4.130 2.576 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.018 -3.316 5.437 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.586 -4.774 4.649 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.106 -5.418 4.388 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.756 -4.107 5.496 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.410 -5.329 7.280 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -12.947 -5.715 6.532 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.031 -7.619 5.388 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -10.384 -7.131 5.736 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.092 -8.920 7.185 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -10.796 -7.519 8.097 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.392 -7.992 7.760 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.642 -2.253 3.821 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.553 -1.131 3.778 1.00 0.70 C ATOM 1290 C ASN A 80 -16.446 -1.096 5.008 1.00 0.87 C ATOM 1291 O ASN A 80 -16.388 -1.982 5.860 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.405 -1.206 2.517 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.756 -0.491 1.343 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.145 0.619 0.986 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.757 -1.124 0.739 1.00 2.05 N ATOM 0 H ASN A 80 -14.993 -3.072 4.317 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.963 -0.215 3.765 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.574 -2.251 2.256 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.382 -0.765 2.714 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.282 -0.690 -0.052 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.464 -2.045 1.066 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.274 -0.063 5.088 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.196 0.109 6.204 1.00 0.82 C ATOM 1304 C ALA A 81 -18.922 -1.192 6.542 1.00 0.88 C ATOM 1305 O ALA A 81 -19.343 -1.399 7.679 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.207 1.202 5.880 1.00 0.83 C ATOM 0 H ALA A 81 -17.326 0.675 4.386 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.612 0.400 7.077 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.892 1.324 6.719 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.683 2.141 5.700 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.770 0.924 4.989 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.073 -2.063 5.546 1.00 0.81 N ATOM 1313 CA ALA A 82 -19.758 -3.335 5.747 1.00 0.90 C ATOM 1314 C ALA A 82 -18.794 -4.522 5.754 1.00 0.88 C ATOM 1315 O ALA A 82 -19.225 -5.675 5.727 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.819 -3.532 4.675 1.00 0.94 C ATOM 0 H ALA A 82 -18.732 -1.911 4.597 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.230 -3.296 6.729 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.324 -4.485 4.834 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.546 -2.722 4.729 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.348 -3.531 3.692 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.492 -4.248 5.796 1.00 0.82 N ATOM 1323 CA GLY A 83 -16.517 -5.322 5.808 1.00 0.86 C ATOM 1324 C GLY A 83 -16.126 -5.779 4.414 1.00 0.78 C ATOM 1325 O GLY A 83 -15.131 -6.484 4.245 1.00 0.93 O ATOM 0 H GLY A 83 -17.098 -3.307 5.822 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -15.625 -4.991 6.340 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -16.923 -6.168 6.362 1.00 0.86 H new ATOM 1329 N ALA A 84 -16.909 -5.382 3.410 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.633 -5.760 2.026 1.00 0.78 C ATOM 1331 C ALA A 84 -15.160 -5.557 1.680 1.00 0.76 C ATOM 1332 O ALA A 84 -14.715 -4.432 1.452 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.515 -4.962 1.076 1.00 0.92 C ATOM 0 H ALA A 84 -17.738 -4.800 3.530 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.860 -6.820 1.914 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.299 -5.253 0.048 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.563 -5.163 1.298 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.315 -3.898 1.201 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.409 -6.654 1.651 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.986 -6.595 1.342 1.00 0.40 C ATOM 1341 C ILE A 85 -12.738 -6.245 -0.120 1.00 0.38 C ATOM 1342 O ILE A 85 -12.834 -7.099 -1.000 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.273 -7.922 1.673 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.760 -7.770 1.500 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.804 -9.049 0.799 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.049 -7.356 2.768 1.00 0.79 C ATOM 0 H ILE A 85 -14.762 -7.592 1.838 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.572 -5.805 1.969 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.478 -8.175 2.713 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.345 -8.716 1.152 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.563 -7.030 0.724 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.288 -9.976 1.048 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.873 -9.171 0.972 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.631 -8.808 -0.250 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.980 -7.267 2.573 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.438 -6.395 3.106 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.216 -8.107 3.540 1.00 0.79 H new ATOM 1358 N SER A 86 -12.405 -4.985 -0.373 1.00 0.39 N ATOM 1359 CA SER A 86 -12.131 -4.538 -1.731 1.00 0.45 C ATOM 1360 C SER A 86 -10.824 -5.157 -2.217 1.00 0.44 C ATOM 1361 O SER A 86 -9.792 -5.033 -1.543 1.00 0.43 O ATOM 1362 CB SER A 86 -12.062 -3.006 -1.799 1.00 0.54 C ATOM 1363 OG SER A 86 -10.726 -2.536 -1.745 1.00 0.59 O ATOM 0 H SER A 86 -12.319 -4.260 0.339 1.00 0.39 H new ATOM 0 HA SER A 86 -12.944 -4.863 -2.380 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.531 -2.662 -2.721 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.631 -2.580 -0.973 1.00 0.54 H new ATOM 0 HG SER A 86 -10.446 -2.454 -0.810 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.840 -5.834 -3.382 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.655 -6.474 -3.937 1.00 0.61 C ATOM 1371 C PRO A 87 -8.395 -5.636 -3.742 1.00 0.54 C ATOM 1372 O PRO A 87 -8.471 -4.430 -3.504 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.977 -6.631 -5.430 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.385 -6.147 -5.616 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.003 -6.040 -4.250 1.00 0.59 C ATOM 0 HA PRO A 87 -9.444 -7.422 -3.441 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.284 -6.051 -6.039 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.880 -7.671 -5.740 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.396 -5.181 -6.120 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.950 -6.839 -6.241 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.706 -5.209 -4.188 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.552 -6.943 -3.983 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.214 -6.270 -3.829 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.934 -5.584 -3.651 1.00 0.56 C ATOM 1385 C PRO A 88 -5.630 -4.593 -4.763 1.00 0.48 C ATOM 1386 O PRO A 88 -5.609 -4.948 -5.941 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.896 -6.715 -3.658 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.673 -7.983 -3.530 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.031 -7.705 -4.099 1.00 0.72 C ATOM 0 HA PRO A 88 -5.935 -4.993 -2.735 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.313 -6.705 -4.579 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.191 -6.604 -2.834 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.184 -8.794 -4.070 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.744 -8.291 -2.487 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.074 -7.924 -5.166 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.801 -8.308 -3.618 1.00 0.72 H new ATOM 1397 N SER A 89 -5.378 -3.347 -4.374 1.00 0.43 N ATOM 1398 CA SER A 89 -5.055 -2.304 -5.333 1.00 0.42 C ATOM 1399 C SER A 89 -3.661 -2.552 -5.903 1.00 0.35 C ATOM 1400 O SER A 89 -2.721 -2.782 -5.144 1.00 0.51 O ATOM 1401 CB SER A 89 -5.114 -0.931 -4.663 1.00 0.56 C ATOM 1402 OG SER A 89 -6.433 -0.414 -4.672 1.00 1.28 O ATOM 0 H SER A 89 -5.392 -3.038 -3.402 1.00 0.43 H new ATOM 0 HA SER A 89 -5.784 -2.324 -6.143 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.758 -1.009 -3.636 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.447 -0.242 -5.180 1.00 0.56 H new ATOM 0 HG SER A 89 -6.509 0.277 -5.363 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.540 -2.516 -7.236 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.261 -2.751 -7.929 1.00 0.37 C ATOM 1410 C GLU A 90 -1.051 -2.272 -7.111 1.00 0.34 C ATOM 1411 O GLU A 90 -0.989 -1.115 -6.715 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.270 -2.046 -9.286 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.793 -2.915 -10.417 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.866 -2.934 -11.616 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.728 -3.434 -11.479 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -2.275 -2.449 -12.692 1.00 1.77 O ATOM 0 H GLU A 90 -4.320 -2.324 -7.864 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.161 -3.828 -8.062 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.883 -1.147 -9.216 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.257 -1.723 -9.525 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.931 -3.933 -10.053 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.773 -2.551 -10.726 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.075 -3.164 -6.843 1.00 0.30 N ATOM 1424 CA PRO A 91 1.126 -2.823 -6.061 1.00 0.29 C ATOM 1425 C PRO A 91 1.950 -1.697 -6.677 1.00 0.31 C ATOM 1426 O PRO A 91 2.018 -1.554 -7.898 1.00 0.55 O ATOM 1427 CB PRO A 91 1.938 -4.122 -6.054 1.00 0.36 C ATOM 1428 CG PRO A 91 0.950 -5.196 -6.346 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.062 -4.575 -7.266 1.00 0.39 C ATOM 0 HA PRO A 91 0.854 -2.459 -5.070 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.728 -4.098 -6.805 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.420 -4.281 -5.089 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.431 -6.054 -6.815 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.479 -5.555 -5.431 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.226 -4.680 -8.312 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.043 -5.038 -7.158 1.00 0.39 H new ATOM 1437 N SER A 92 2.586 -0.906 -5.812 1.00 0.27 N ATOM 1438 CA SER A 92 3.421 0.199 -6.253 1.00 0.31 C ATOM 1439 C SER A 92 4.796 -0.313 -6.631 1.00 0.27 C ATOM 1440 O SER A 92 5.291 -1.278 -6.040 1.00 0.24 O ATOM 1441 CB SER A 92 3.562 1.267 -5.166 1.00 0.39 C ATOM 1442 OG SER A 92 2.749 0.987 -4.047 1.00 1.23 O ATOM 0 H SER A 92 2.535 -1.015 -4.799 1.00 0.27 H new ATOM 0 HA SER A 92 2.939 0.653 -7.119 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.604 1.330 -4.852 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.293 2.241 -5.576 1.00 0.39 H new ATOM 0 HG SER A 92 2.867 1.689 -3.373 1.00 1.23 H new ATOM 1448 N ASP A 93 5.398 0.350 -7.615 1.00 0.33 N ATOM 1449 CA ASP A 93 6.724 -0.004 -8.111 1.00 0.36 C ATOM 1450 C ASP A 93 7.663 -0.401 -6.978 1.00 0.32 C ATOM 1451 O ASP A 93 7.688 0.234 -5.923 1.00 0.56 O ATOM 1452 CB ASP A 93 7.321 1.166 -8.894 1.00 0.45 C ATOM 1453 CG ASP A 93 6.380 1.697 -9.957 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.165 1.795 -9.681 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.857 2.014 -11.068 1.00 1.63 O ATOM 0 H ASP A 93 4.979 1.149 -8.091 1.00 0.33 H new ATOM 0 HA ASP A 93 6.611 -0.865 -8.769 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.573 1.970 -8.203 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.251 0.847 -9.364 1.00 0.45 H new ATOM 1460 N ALA A 94 8.434 -1.453 -7.211 1.00 0.33 N ATOM 1461 CA ALA A 94 9.377 -1.939 -6.220 1.00 0.28 C ATOM 1462 C ALA A 94 10.488 -0.921 -5.985 1.00 0.29 C ATOM 1463 O ALA A 94 11.215 -0.560 -6.911 1.00 0.41 O ATOM 1464 CB ALA A 94 9.961 -3.266 -6.668 1.00 0.34 C ATOM 0 H ALA A 94 8.423 -1.986 -8.081 1.00 0.33 H new ATOM 0 HA ALA A 94 8.847 -2.085 -5.279 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.668 -3.624 -5.919 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.159 -3.995 -6.788 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.476 -3.134 -7.619 1.00 0.34 H new ATOM 1470 N ILE A 95 10.616 -0.459 -4.746 1.00 0.25 N ATOM 1471 CA ILE A 95 11.639 0.518 -4.402 1.00 0.28 C ATOM 1472 C ILE A 95 12.836 -0.145 -3.734 1.00 0.26 C ATOM 1473 O ILE A 95 12.747 -0.606 -2.596 1.00 0.25 O ATOM 1474 CB ILE A 95 11.090 1.606 -3.466 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.803 2.201 -4.039 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.135 2.688 -3.258 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.545 1.581 -3.472 1.00 0.44 C ATOM 0 H ILE A 95 10.025 -0.745 -3.966 1.00 0.25 H new ATOM 0 HA ILE A 95 11.955 0.978 -5.338 1.00 0.28 H new ATOM 0 HB ILE A 95 10.858 1.157 -2.500 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.790 3.273 -3.843 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.804 2.074 -5.122 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.737 3.455 -2.593 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.029 2.250 -2.813 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.390 3.137 -4.218 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.672 2.052 -3.924 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.535 0.513 -3.691 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.520 1.731 -2.393 1.00 0.44 H new ATOM 1489 N THR A 96 13.957 -0.194 -4.449 1.00 0.29 N ATOM 1490 CA THR A 96 15.177 -0.808 -3.930 1.00 0.32 C ATOM 1491 C THR A 96 15.458 -0.360 -2.500 1.00 0.32 C ATOM 1492 O THR A 96 15.721 -1.185 -1.624 1.00 0.38 O ATOM 1493 CB THR A 96 16.369 -0.465 -4.826 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.051 -0.689 -6.189 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.608 -1.273 -4.506 1.00 0.43 C ATOM 0 H THR A 96 14.046 0.185 -5.392 1.00 0.29 H new ATOM 0 HA THR A 96 15.029 -1.888 -3.927 1.00 0.32 H new ATOM 0 HB THR A 96 16.581 0.587 -4.637 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.267 0.112 -6.711 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.416 -0.981 -5.177 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.908 -1.087 -3.475 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.394 -2.334 -4.636 1.00 0.43 H new ATOM 1503 N CYS A 97 15.402 0.946 -2.266 1.00 0.32 N ATOM 1504 CA CYS A 97 15.654 1.486 -0.937 1.00 0.36 C ATOM 1505 C CYS A 97 17.093 1.222 -0.521 1.00 0.43 C ATOM 1506 O CYS A 97 17.392 0.221 0.131 1.00 0.64 O ATOM 1507 CB CYS A 97 14.691 0.862 0.069 1.00 0.38 C ATOM 1508 SG CYS A 97 13.339 1.954 0.568 1.00 1.10 S ATOM 0 H CYS A 97 15.186 1.646 -2.975 1.00 0.32 H new ATOM 0 HA CYS A 97 15.493 2.564 -0.960 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.270 -0.047 -0.362 1.00 0.38 H new ATOM 0 HB3 CYS A 97 15.251 0.565 0.956 1.00 0.38 H new ATOM 0 HG CYS A 97 13.583 2.433 1.752 1.00 1.10 H new ATOM 1514 N ARG A 98 17.982 2.126 -0.908 1.00 0.53 N ATOM 1515 CA ARG A 98 19.399 1.996 -0.583 1.00 0.63 C ATOM 1516 C ARG A 98 19.902 3.219 0.171 1.00 0.80 C ATOM 1517 O ARG A 98 19.921 3.237 1.402 1.00 1.04 O ATOM 1518 CB ARG A 98 20.231 1.776 -1.854 1.00 0.68 C ATOM 1519 CG ARG A 98 19.629 2.400 -3.105 1.00 0.74 C ATOM 1520 CD ARG A 98 20.704 2.949 -4.027 1.00 0.92 C ATOM 1521 NE ARG A 98 21.427 1.889 -4.723 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.228 2.103 -5.762 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.409 3.335 -6.217 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.851 1.087 -6.344 1.00 2.68 N ATOM 0 H ARG A 98 17.749 2.959 -1.448 1.00 0.53 H new ATOM 0 HA ARG A 98 19.513 1.125 0.063 1.00 0.63 H new ATOM 0 HB2 ARG A 98 21.228 2.188 -1.699 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.351 0.705 -2.016 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.039 1.654 -3.637 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.948 3.202 -2.821 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.247 3.616 -4.758 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.408 3.546 -3.447 1.00 0.92 H new ATOM 0 HE ARG A 98 21.311 0.931 -4.394 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.934 4.119 -5.770 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.024 3.499 -7.014 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.716 0.138 -5.994 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.465 1.254 -7.141 1.00 2.68 H new ATOM 1538 N ASP A 99 20.307 4.237 -0.572 1.00 0.92 N ATOM 1539 CA ASP A 99 20.809 5.468 0.023 1.00 1.20 C ATOM 1540 C ASP A 99 19.781 6.591 -0.088 1.00 1.03 C ATOM 1541 O ASP A 99 20.109 7.761 0.106 1.00 1.20 O ATOM 1542 CB ASP A 99 22.114 5.891 -0.653 1.00 1.61 C ATOM 1543 CG ASP A 99 21.881 6.523 -2.011 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.735 6.944 -2.279 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.842 6.598 -2.805 1.00 2.14 O ATOM 0 H ASP A 99 20.298 4.236 -1.592 1.00 0.92 H new ATOM 0 HA ASP A 99 20.998 5.277 1.079 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.640 6.598 -0.011 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.761 5.021 -0.766 1.00 1.61 H new ATOM 1550 N ASP A 100 18.536 6.234 -0.404 1.00 0.85 N ATOM 1551 CA ASP A 100 17.475 7.227 -0.540 1.00 0.92 C ATOM 1552 C ASP A 100 17.917 8.362 -1.455 1.00 1.22 C ATOM 1553 O ASP A 100 17.445 9.492 -1.337 1.00 1.38 O ATOM 1554 CB ASP A 100 17.105 7.782 0.833 1.00 0.87 C ATOM 1555 CG ASP A 100 15.686 8.313 0.880 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.850 7.843 0.082 1.00 2.06 O ATOM 1557 OD2 ASP A 100 15.411 9.199 1.716 1.00 2.03 O ATOM 0 H ASP A 100 18.241 5.272 -0.569 1.00 0.85 H new ATOM 0 HA ASP A 100 16.603 6.745 -0.981 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.222 6.998 1.582 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.798 8.581 1.097 1.00 0.87 H new ATOM 1562 N VAL A 101 18.834 8.047 -2.360 1.00 1.43 N ATOM 1563 CA VAL A 101 19.358 9.030 -3.295 1.00 1.90 C ATOM 1564 C VAL A 101 19.201 8.568 -4.745 1.00 2.23 C ATOM 1565 O VAL A 101 19.427 9.344 -5.674 1.00 2.80 O ATOM 1566 CB VAL A 101 20.847 9.308 -3.009 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.636 8.007 -2.998 1.00 2.22 C ATOM 1568 CG2 VAL A 101 21.425 10.288 -4.021 1.00 2.67 C ATOM 0 H VAL A 101 19.231 7.113 -2.465 1.00 1.43 H new ATOM 0 HA VAL A 101 18.781 9.945 -3.158 1.00 1.90 H new ATOM 0 HB VAL A 101 20.926 9.766 -2.023 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.686 8.220 -2.795 1.00 2.22 H new ATOM 0 HG12 VAL A 101 21.242 7.349 -2.223 1.00 2.22 H new ATOM 0 HG13 VAL A 101 21.546 7.519 -3.968 1.00 2.22 H new ATOM 0 HG21 VAL A 101 22.476 10.466 -3.795 1.00 2.67 H new ATOM 0 HG22 VAL A 101 21.335 9.871 -5.024 1.00 2.67 H new ATOM 0 HG23 VAL A 101 20.878 11.230 -3.969 1.00 2.67 H new ATOM 1578 N GLU A 102 18.816 7.307 -4.941 1.00 1.99 N ATOM 1579 CA GLU A 102 18.640 6.776 -6.283 1.00 2.40 C ATOM 1580 C GLU A 102 17.473 5.796 -6.340 1.00 2.00 C ATOM 1581 O GLU A 102 16.386 6.138 -6.805 1.00 2.49 O ATOM 1582 CB GLU A 102 19.924 6.091 -6.755 1.00 3.22 C ATOM 1583 CG GLU A 102 21.061 7.059 -7.034 1.00 3.87 C ATOM 1584 CD GLU A 102 22.118 6.469 -7.947 1.00 4.18 C ATOM 1585 OE1 GLU A 102 22.130 5.232 -8.117 1.00 4.47 O ATOM 1586 OE2 GLU A 102 22.932 7.243 -8.491 1.00 4.58 O ATOM 0 H GLU A 102 18.623 6.643 -4.191 1.00 1.99 H new ATOM 0 HA GLU A 102 18.416 7.611 -6.947 1.00 2.40 H new ATOM 0 HB2 GLU A 102 20.244 5.376 -5.997 1.00 3.22 H new ATOM 0 HB3 GLU A 102 19.711 5.522 -7.660 1.00 3.22 H new ATOM 0 HG2 GLU A 102 20.659 7.965 -7.488 1.00 3.87 H new ATOM 0 HG3 GLU A 102 21.523 7.352 -6.091 1.00 3.87 H new ATOM 1593 N ALA A 103 17.705 4.576 -5.870 1.00 1.84 N ATOM 1594 CA ALA A 103 16.672 3.547 -5.870 1.00 2.56 C ATOM 1595 C ALA A 103 16.330 3.118 -7.293 1.00 3.21 C ATOM 1596 O ALA A 103 15.619 3.878 -7.983 1.00 3.72 O ATOM 1597 CB ALA A 103 15.426 4.046 -5.154 1.00 3.26 C ATOM 1598 OXT ALA A 103 16.776 2.028 -7.705 1.00 3.79 O ATOM 0 H ALA A 103 18.600 4.275 -5.484 1.00 1.84 H new ATOM 0 HA ALA A 103 17.058 2.679 -5.336 1.00 2.56 H new ATOM 0 HB1 ALA A 103 14.664 3.266 -5.163 1.00 3.26 H new ATOM 0 HB2 ALA A 103 15.675 4.298 -4.123 1.00 3.26 H new ATOM 0 HB3 ALA A 103 15.044 4.932 -5.662 1.00 3.26 H new TER 1604 ALA A 103