USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1005 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 112 THR OG1 : rot 34:sc= 0.00835 USER MOD Set 1.2: A 115 ASN : amide:sc= -2.96 K(o=-3,f=-11!) USER MOD Single : A 7 CYS SG : rot -19:sc= 0.768 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.846 X(o=-0.85,f=-0.42) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 78:sc= 0.955 USER MOD Single : A 19 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 20 SER OG : rot -31:sc= 1.17 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.458 K(o=-0.46,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.127 (180deg=-1.17) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 29 THR OG1 : rot 70:sc= -1.15 USER MOD Single : A 32 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00339 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 26:sc= 0.592 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 83:sc= 0.251 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.438 K(o=-0.44,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 75 GLN : amide:sc= -0.0433 K(o=-0.043,f=-2.1) USER MOD Single : A 76 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.1!) USER MOD Single : A 78 HIS : no HE2:sc= -0.131 X(o=-0.13,f=-0.46) USER MOD Single : A 80 HIS : no HE2:sc= -5.75! C(o=-5.7!,f=-5.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.073 K(o=-0.073,f=-0.76) USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.526) USER MOD Single : A 93 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.6!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 111 SER OG : rot -150:sc= -0.455 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -66:sc= -0.518 USER MOD Single : A 124 MET CE :methyl -136:sc= -4.32 (180deg=-14.2!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -16.428 8.938 2.441 1.00 2.04 N ATOM 93 CA CYS A 7 -16.041 7.717 1.675 1.00 1.61 C ATOM 94 C CYS A 7 -15.859 8.045 0.183 1.00 0.94 C ATOM 95 O CYS A 7 -15.269 7.284 -0.558 1.00 0.83 O ATOM 96 CB CYS A 7 -17.145 6.667 1.844 1.00 2.25 C ATOM 97 SG CYS A 7 -16.826 5.240 0.775 1.00 2.09 S ATOM 0 HA CYS A 7 -15.094 7.336 2.056 1.00 1.61 H new ATOM 0 HB2 CYS A 7 -17.195 6.346 2.885 1.00 2.25 H new ATOM 0 HB3 CYS A 7 -18.113 7.104 1.599 1.00 2.25 H new ATOM 0 HG CYS A 7 -15.988 5.577 -0.160 1.00 2.09 H new ATOM 102 N ASP A 8 -16.367 9.160 -0.275 1.00 0.85 N ATOM 103 CA ASP A 8 -16.228 9.495 -1.724 1.00 0.51 C ATOM 104 C ASP A 8 -14.948 10.292 -1.994 1.00 0.54 C ATOM 105 O ASP A 8 -14.313 10.127 -3.018 1.00 0.77 O ATOM 106 CB ASP A 8 -17.432 10.326 -2.168 1.00 0.86 C ATOM 107 CG ASP A 8 -17.211 10.815 -3.598 1.00 1.12 C ATOM 108 OD1 ASP A 8 -17.569 10.092 -4.513 1.00 1.77 O ATOM 109 OD2 ASP A 8 -16.685 11.905 -3.755 1.00 1.76 O ATOM 0 H ASP A 8 -16.868 9.848 0.286 1.00 0.85 H new ATOM 0 HA ASP A 8 -16.178 8.561 -2.284 1.00 0.51 H new ATOM 0 HB2 ASP A 8 -18.341 9.727 -2.113 1.00 0.86 H new ATOM 0 HB3 ASP A 8 -17.569 11.175 -1.498 1.00 0.86 H new ATOM 114 N ILE A 9 -14.573 11.171 -1.111 1.00 0.56 N ATOM 115 CA ILE A 9 -13.350 11.989 -1.356 1.00 0.83 C ATOM 116 C ILE A 9 -12.103 11.295 -0.793 1.00 0.80 C ATOM 117 O ILE A 9 -11.129 11.102 -1.489 1.00 0.85 O ATOM 118 CB ILE A 9 -13.498 13.352 -0.679 1.00 1.13 C ATOM 119 CG1 ILE A 9 -14.919 13.902 -0.885 1.00 1.02 C ATOM 120 CG2 ILE A 9 -12.472 14.325 -1.266 1.00 2.08 C ATOM 121 CD1 ILE A 9 -15.205 14.110 -2.375 1.00 2.71 C ATOM 0 H ILE A 9 -15.056 11.360 -0.233 1.00 0.56 H new ATOM 0 HA ILE A 9 -13.235 12.110 -2.433 1.00 0.83 H new ATOM 0 HB ILE A 9 -13.323 13.239 0.391 1.00 1.13 H new ATOM 0 HG12 ILE A 9 -15.648 13.210 -0.462 1.00 1.02 H new ATOM 0 HG13 ILE A 9 -15.030 14.847 -0.352 1.00 1.02 H new ATOM 0 HG21 ILE A 9 -12.576 15.297 -0.785 1.00 2.08 H new ATOM 0 HG22 ILE A 9 -11.467 13.941 -1.094 1.00 2.08 H new ATOM 0 HG23 ILE A 9 -12.642 14.431 -2.337 1.00 2.08 H new ATOM 0 HD11 ILE A 9 -16.215 14.500 -2.501 1.00 2.71 H new ATOM 0 HD12 ILE A 9 -14.488 14.820 -2.787 1.00 2.71 H new ATOM 0 HD13 ILE A 9 -15.115 13.158 -2.899 1.00 2.71 H new ATOM 133 N THR A 10 -12.112 10.950 0.467 1.00 0.87 N ATOM 134 CA THR A 10 -10.911 10.299 1.078 1.00 0.90 C ATOM 135 C THR A 10 -10.450 9.100 0.241 1.00 0.75 C ATOM 136 O THR A 10 -9.268 8.861 0.091 1.00 0.66 O ATOM 137 CB THR A 10 -11.251 9.813 2.488 1.00 0.99 C ATOM 138 OG1 THR A 10 -11.486 10.930 3.335 1.00 1.17 O ATOM 139 CG2 THR A 10 -10.082 8.994 3.036 1.00 0.87 C ATOM 0 H THR A 10 -12.898 11.090 1.102 1.00 0.87 H new ATOM 0 HA THR A 10 -10.108 11.036 1.114 1.00 0.90 H new ATOM 0 HB THR A 10 -12.147 9.194 2.452 1.00 0.99 H new ATOM 0 HG1 THR A 10 -11.705 10.616 4.237 1.00 1.17 H new ATOM 0 HG21 THR A 10 -10.321 8.646 4.041 1.00 0.87 H new ATOM 0 HG22 THR A 10 -9.903 8.136 2.388 1.00 0.87 H new ATOM 0 HG23 THR A 10 -9.187 9.615 3.070 1.00 0.87 H new ATOM 147 N LEU A 11 -11.365 8.331 -0.285 1.00 0.72 N ATOM 148 CA LEU A 11 -10.959 7.137 -1.084 1.00 0.58 C ATOM 149 C LEU A 11 -10.403 7.565 -2.446 1.00 0.48 C ATOM 150 O LEU A 11 -9.546 6.910 -2.998 1.00 0.37 O ATOM 151 CB LEU A 11 -12.170 6.219 -1.279 1.00 0.54 C ATOM 152 CG LEU A 11 -11.829 4.794 -0.817 1.00 0.48 C ATOM 153 CD1 LEU A 11 -11.365 4.811 0.641 1.00 0.82 C ATOM 154 CD2 LEU A 11 -13.072 3.910 -0.931 1.00 0.53 C ATOM 0 H LEU A 11 -12.371 8.476 -0.197 1.00 0.72 H new ATOM 0 HA LEU A 11 -10.177 6.601 -0.546 1.00 0.58 H new ATOM 0 HB2 LEU A 11 -13.020 6.600 -0.713 1.00 0.54 H new ATOM 0 HB3 LEU A 11 -12.464 6.209 -2.329 1.00 0.54 H new ATOM 0 HG LEU A 11 -11.031 4.401 -1.447 1.00 0.48 H new ATOM 0 HD11 LEU A 11 -11.126 3.796 0.959 1.00 0.82 H new ATOM 0 HD12 LEU A 11 -10.479 5.439 0.733 1.00 0.82 H new ATOM 0 HD13 LEU A 11 -12.160 5.211 1.271 1.00 0.82 H new ATOM 0 HD21 LEU A 11 -12.831 2.899 -0.603 1.00 0.53 H new ATOM 0 HD22 LEU A 11 -13.865 4.315 -0.303 1.00 0.53 H new ATOM 0 HD23 LEU A 11 -13.407 3.885 -1.968 1.00 0.53 H new ATOM 166 N GLN A 12 -10.869 8.651 -2.995 1.00 0.55 N ATOM 167 CA GLN A 12 -10.336 9.095 -4.318 1.00 0.50 C ATOM 168 C GLN A 12 -8.862 9.461 -4.158 1.00 0.48 C ATOM 169 O GLN A 12 -8.000 8.948 -4.846 1.00 0.36 O ATOM 170 CB GLN A 12 -11.108 10.326 -4.793 1.00 0.62 C ATOM 171 CG GLN A 12 -11.861 10.005 -6.087 1.00 1.74 C ATOM 172 CD GLN A 12 -10.885 9.495 -7.154 1.00 2.84 C ATOM 173 OE1 GLN A 12 -11.229 8.636 -7.943 1.00 3.94 O ATOM 174 NE2 GLN A 12 -9.677 9.988 -7.220 1.00 3.30 N ATOM 0 H GLN A 12 -11.590 9.248 -2.591 1.00 0.55 H new ATOM 0 HA GLN A 12 -10.447 8.293 -5.047 1.00 0.50 H new ATOM 0 HB2 GLN A 12 -11.811 10.644 -4.023 1.00 0.62 H new ATOM 0 HB3 GLN A 12 -10.420 11.155 -4.959 1.00 0.62 H new ATOM 0 HG2 GLN A 12 -12.626 9.253 -5.894 1.00 1.74 H new ATOM 0 HG3 GLN A 12 -12.374 10.896 -6.449 1.00 1.74 H new ATOM 0 HE21 GLN A 12 -9.384 10.709 -6.561 1.00 3.30 H new ATOM 0 HE22 GLN A 12 -9.027 9.652 -7.931 1.00 3.30 H new ATOM 183 N GLU A 13 -8.573 10.343 -3.246 1.00 0.68 N ATOM 184 CA GLU A 13 -7.161 10.747 -3.015 1.00 0.66 C ATOM 185 C GLU A 13 -6.341 9.509 -2.637 1.00 0.51 C ATOM 186 O GLU A 13 -5.164 9.420 -2.918 1.00 0.42 O ATOM 187 CB GLU A 13 -7.117 11.757 -1.870 1.00 0.77 C ATOM 188 CG GLU A 13 -6.979 13.172 -2.435 1.00 1.17 C ATOM 189 CD GLU A 13 -8.368 13.748 -2.727 1.00 2.30 C ATOM 190 OE1 GLU A 13 -9.051 14.107 -1.781 1.00 2.42 O ATOM 191 OE2 GLU A 13 -8.724 13.824 -3.892 1.00 3.60 O ATOM 0 H GLU A 13 -9.258 10.804 -2.647 1.00 0.68 H new ATOM 0 HA GLU A 13 -6.747 11.196 -3.918 1.00 0.66 H new ATOM 0 HB2 GLU A 13 -8.024 11.681 -1.271 1.00 0.77 H new ATOM 0 HB3 GLU A 13 -6.279 11.536 -1.209 1.00 0.77 H new ATOM 0 HG2 GLU A 13 -6.453 13.808 -1.724 1.00 1.17 H new ATOM 0 HG3 GLU A 13 -6.383 13.153 -3.347 1.00 1.17 H new ATOM 198 N ILE A 14 -6.964 8.550 -2.002 1.00 0.50 N ATOM 199 CA ILE A 14 -6.231 7.313 -1.601 1.00 0.38 C ATOM 200 C ILE A 14 -5.804 6.542 -2.848 1.00 0.26 C ATOM 201 O ILE A 14 -4.741 5.961 -2.897 1.00 0.24 O ATOM 202 CB ILE A 14 -7.158 6.427 -0.760 1.00 0.50 C ATOM 203 CG1 ILE A 14 -6.755 6.522 0.712 1.00 0.60 C ATOM 204 CG2 ILE A 14 -7.052 4.967 -1.220 1.00 0.39 C ATOM 205 CD1 ILE A 14 -7.995 6.332 1.587 1.00 0.76 C ATOM 0 H ILE A 14 -7.951 8.571 -1.744 1.00 0.50 H new ATOM 0 HA ILE A 14 -5.350 7.587 -1.021 1.00 0.38 H new ATOM 0 HB ILE A 14 -8.185 6.769 -0.885 1.00 0.50 H new ATOM 0 HG12 ILE A 14 -6.010 5.762 0.947 1.00 0.60 H new ATOM 0 HG13 ILE A 14 -6.298 7.490 0.914 1.00 0.60 H new ATOM 0 HG21 ILE A 14 -7.714 4.346 -0.616 1.00 0.39 H new ATOM 0 HG22 ILE A 14 -7.342 4.894 -2.268 1.00 0.39 H new ATOM 0 HG23 ILE A 14 -6.025 4.622 -1.103 1.00 0.39 H new ATOM 0 HD11 ILE A 14 -7.713 6.399 2.638 1.00 0.76 H new ATOM 0 HD12 ILE A 14 -8.725 7.108 1.357 1.00 0.76 H new ATOM 0 HD13 ILE A 14 -8.432 5.353 1.391 1.00 0.76 H new ATOM 217 N ILE A 15 -6.637 6.518 -3.847 1.00 0.24 N ATOM 218 CA ILE A 15 -6.304 5.773 -5.089 1.00 0.21 C ATOM 219 C ILE A 15 -5.107 6.426 -5.776 1.00 0.28 C ATOM 220 O ILE A 15 -4.155 5.767 -6.139 1.00 0.31 O ATOM 221 CB ILE A 15 -7.520 5.794 -6.013 1.00 0.30 C ATOM 222 CG1 ILE A 15 -8.269 4.464 -5.893 1.00 0.48 C ATOM 223 CG2 ILE A 15 -7.073 5.996 -7.459 1.00 0.31 C ATOM 224 CD1 ILE A 15 -9.775 4.721 -5.815 1.00 0.40 C ATOM 0 H ILE A 15 -7.543 6.987 -3.856 1.00 0.24 H new ATOM 0 HA ILE A 15 -6.046 4.742 -4.849 1.00 0.21 H new ATOM 0 HB ILE A 15 -8.176 6.615 -5.724 1.00 0.30 H new ATOM 0 HG12 ILE A 15 -8.043 3.831 -6.751 1.00 0.48 H new ATOM 0 HG13 ILE A 15 -7.936 3.928 -5.004 1.00 0.48 H new ATOM 0 HG21 ILE A 15 -7.946 6.010 -8.111 1.00 0.31 H new ATOM 0 HG22 ILE A 15 -6.540 6.943 -7.546 1.00 0.31 H new ATOM 0 HG23 ILE A 15 -6.413 5.180 -7.753 1.00 0.31 H new ATOM 0 HD11 ILE A 15 -10.302 3.771 -5.730 1.00 0.40 H new ATOM 0 HD12 ILE A 15 -9.994 5.337 -4.943 1.00 0.40 H new ATOM 0 HD13 ILE A 15 -10.103 5.238 -6.717 1.00 0.40 H new ATOM 236 N LYS A 16 -5.143 7.715 -5.951 1.00 0.40 N ATOM 237 CA LYS A 16 -3.998 8.404 -6.608 1.00 0.48 C ATOM 238 C LYS A 16 -2.711 8.082 -5.851 1.00 0.42 C ATOM 239 O LYS A 16 -1.667 7.875 -6.435 1.00 0.43 O ATOM 240 CB LYS A 16 -4.228 9.914 -6.584 1.00 0.58 C ATOM 241 CG LYS A 16 -4.913 10.344 -7.881 1.00 0.75 C ATOM 242 CD LYS A 16 -6.162 11.170 -7.558 1.00 0.67 C ATOM 243 CE LYS A 16 -5.892 12.651 -7.836 1.00 1.26 C ATOM 244 NZ LYS A 16 -6.883 13.154 -8.827 1.00 1.50 N ATOM 0 H LYS A 16 -5.913 8.321 -5.669 1.00 0.40 H new ATOM 0 HA LYS A 16 -3.915 8.063 -7.640 1.00 0.48 H new ATOM 0 HB2 LYS A 16 -4.844 10.185 -5.727 1.00 0.58 H new ATOM 0 HB3 LYS A 16 -3.278 10.436 -6.471 1.00 0.58 H new ATOM 0 HG2 LYS A 16 -4.225 10.931 -8.489 1.00 0.75 H new ATOM 0 HG3 LYS A 16 -5.187 9.467 -8.467 1.00 0.75 H new ATOM 0 HD2 LYS A 16 -7.003 10.825 -8.160 1.00 0.67 H new ATOM 0 HD3 LYS A 16 -6.440 11.032 -6.513 1.00 0.67 H new ATOM 0 HE2 LYS A 16 -5.961 13.225 -6.912 1.00 1.26 H new ATOM 0 HE3 LYS A 16 -4.880 12.783 -8.218 1.00 1.26 H new ATOM 0 HZ1 LYS A 16 -6.703 14.160 -9.018 1.00 1.50 H new ATOM 0 HZ2 LYS A 16 -6.796 12.612 -9.711 1.00 1.50 H new ATOM 0 HZ3 LYS A 16 -7.844 13.041 -8.445 1.00 1.50 H new ATOM 258 N THR A 17 -2.780 8.044 -4.551 1.00 0.36 N ATOM 259 CA THR A 17 -1.561 7.743 -3.749 1.00 0.32 C ATOM 260 C THR A 17 -1.091 6.316 -4.051 1.00 0.33 C ATOM 261 O THR A 17 0.092 6.043 -4.137 1.00 0.35 O ATOM 262 CB THR A 17 -1.885 7.871 -2.257 1.00 0.27 C ATOM 263 OG1 THR A 17 -2.519 9.120 -2.011 1.00 0.22 O ATOM 264 CG2 THR A 17 -0.593 7.786 -1.447 1.00 0.43 C ATOM 0 H THR A 17 -3.628 8.208 -4.008 1.00 0.36 H new ATOM 0 HA THR A 17 -0.772 8.448 -4.009 1.00 0.32 H new ATOM 0 HB THR A 17 -2.554 7.063 -1.961 1.00 0.27 H new ATOM 0 HG1 THR A 17 -3.458 9.070 -2.286 1.00 0.22 H new ATOM 0 HG21 THR A 17 -0.823 7.877 -0.385 1.00 0.43 H new ATOM 0 HG22 THR A 17 -0.109 6.827 -1.633 1.00 0.43 H new ATOM 0 HG23 THR A 17 0.076 8.593 -1.744 1.00 0.43 H new ATOM 272 N LEU A 18 -2.011 5.402 -4.213 1.00 0.33 N ATOM 273 CA LEU A 18 -1.617 3.999 -4.507 1.00 0.34 C ATOM 274 C LEU A 18 -0.901 3.961 -5.860 1.00 0.41 C ATOM 275 O LEU A 18 -0.018 3.158 -6.082 1.00 0.59 O ATOM 276 CB LEU A 18 -2.873 3.107 -4.554 1.00 0.40 C ATOM 277 CG LEU A 18 -2.505 1.612 -4.484 1.00 0.43 C ATOM 278 CD1 LEU A 18 -1.899 1.159 -5.811 1.00 0.98 C ATOM 279 CD2 LEU A 18 -1.503 1.356 -3.356 1.00 0.98 C ATOM 0 H LEU A 18 -3.016 5.569 -4.154 1.00 0.33 H new ATOM 0 HA LEU A 18 -0.951 3.629 -3.728 1.00 0.34 H new ATOM 0 HB2 LEU A 18 -3.532 3.360 -3.723 1.00 0.40 H new ATOM 0 HB3 LEU A 18 -3.427 3.304 -5.472 1.00 0.40 H new ATOM 0 HG LEU A 18 -3.415 1.045 -4.286 1.00 0.43 H new ATOM 0 HD11 LEU A 18 -1.642 0.101 -5.752 1.00 0.98 H new ATOM 0 HD12 LEU A 18 -2.622 1.312 -6.612 1.00 0.98 H new ATOM 0 HD13 LEU A 18 -1.000 1.740 -6.017 1.00 0.98 H new ATOM 0 HD21 LEU A 18 -1.256 0.295 -3.323 1.00 0.98 H new ATOM 0 HD22 LEU A 18 -0.597 1.934 -3.536 1.00 0.98 H new ATOM 0 HD23 LEU A 18 -1.942 1.656 -2.404 1.00 0.98 H new ATOM 291 N ASN A 19 -1.274 4.826 -6.764 1.00 0.28 N ATOM 292 CA ASN A 19 -0.611 4.839 -8.100 1.00 0.33 C ATOM 293 C ASN A 19 0.721 5.594 -8.015 1.00 0.30 C ATOM 294 O ASN A 19 1.575 5.447 -8.865 1.00 0.30 O ATOM 295 CB ASN A 19 -1.524 5.527 -9.118 1.00 0.41 C ATOM 296 CG ASN A 19 -0.789 5.670 -10.453 1.00 0.75 C ATOM 297 OD1 ASN A 19 -0.569 4.698 -11.146 1.00 1.19 O ATOM 298 ND2 ASN A 19 -0.399 6.851 -10.850 1.00 1.66 N ATOM 0 H ASN A 19 -2.008 5.523 -6.636 1.00 0.28 H new ATOM 0 HA ASN A 19 -0.421 3.813 -8.415 1.00 0.33 H new ATOM 0 HB2 ASN A 19 -2.436 4.946 -9.254 1.00 0.41 H new ATOM 0 HB3 ASN A 19 -1.823 6.508 -8.749 1.00 0.41 H new ATOM 0 HD21 ASN A 19 0.089 6.955 -11.740 1.00 1.66 H new ATOM 0 HD22 ASN A 19 -0.582 7.670 -10.270 1.00 1.66 H new ATOM 305 N SER A 20 0.910 6.403 -7.006 1.00 0.40 N ATOM 306 CA SER A 20 2.192 7.156 -6.891 1.00 0.39 C ATOM 307 C SER A 20 3.292 6.223 -6.377 1.00 0.35 C ATOM 308 O SER A 20 4.453 6.383 -6.702 1.00 0.32 O ATOM 309 CB SER A 20 2.015 8.323 -5.919 1.00 0.35 C ATOM 310 OG SER A 20 1.781 7.817 -4.612 1.00 2.02 O ATOM 0 H SER A 20 0.235 6.574 -6.260 1.00 0.40 H new ATOM 0 HA SER A 20 2.474 7.541 -7.871 1.00 0.39 H new ATOM 0 HB2 SER A 20 2.905 8.952 -5.923 1.00 0.35 H new ATOM 0 HB3 SER A 20 1.180 8.949 -6.233 1.00 0.35 H new ATOM 0 HG SER A 20 1.311 6.959 -4.673 1.00 2.02 H new ATOM 316 N LEU A 21 2.941 5.251 -5.576 1.00 0.37 N ATOM 317 CA LEU A 21 3.979 4.311 -5.050 1.00 0.35 C ATOM 318 C LEU A 21 4.515 3.419 -6.180 1.00 0.38 C ATOM 319 O LEU A 21 5.508 2.738 -6.013 1.00 0.42 O ATOM 320 CB LEU A 21 3.375 3.422 -3.956 1.00 0.38 C ATOM 321 CG LEU A 21 2.907 4.286 -2.785 1.00 0.40 C ATOM 322 CD1 LEU A 21 1.681 3.643 -2.135 1.00 0.94 C ATOM 323 CD2 LEU A 21 4.033 4.397 -1.752 1.00 0.19 C ATOM 0 H LEU A 21 1.988 5.067 -5.264 1.00 0.37 H new ATOM 0 HA LEU A 21 4.797 4.900 -4.636 1.00 0.35 H new ATOM 0 HB2 LEU A 21 2.536 2.854 -4.358 1.00 0.38 H new ATOM 0 HB3 LEU A 21 4.115 2.699 -3.613 1.00 0.38 H new ATOM 0 HG LEU A 21 2.646 5.280 -3.148 1.00 0.40 H new ATOM 0 HD11 LEU A 21 1.347 4.259 -1.300 1.00 0.94 H new ATOM 0 HD12 LEU A 21 0.880 3.562 -2.870 1.00 0.94 H new ATOM 0 HD13 LEU A 21 1.941 2.649 -1.771 1.00 0.94 H new ATOM 0 HD21 LEU A 21 3.701 5.013 -0.916 1.00 0.19 H new ATOM 0 HD22 LEU A 21 4.293 3.403 -1.389 1.00 0.19 H new ATOM 0 HD23 LEU A 21 4.907 4.855 -2.215 1.00 0.19 H new ATOM 335 N THR A 22 3.876 3.397 -7.322 1.00 0.43 N ATOM 336 CA THR A 22 4.375 2.526 -8.426 1.00 0.52 C ATOM 337 C THR A 22 5.409 3.266 -9.288 1.00 0.49 C ATOM 338 O THR A 22 5.940 2.706 -10.225 1.00 0.52 O ATOM 339 CB THR A 22 3.201 2.077 -9.300 1.00 0.63 C ATOM 340 OG1 THR A 22 3.650 1.076 -10.201 1.00 2.46 O ATOM 341 CG2 THR A 22 2.651 3.264 -10.091 1.00 1.58 C ATOM 0 H THR A 22 3.039 3.939 -7.536 1.00 0.43 H new ATOM 0 HA THR A 22 4.858 1.655 -7.984 1.00 0.52 H new ATOM 0 HB THR A 22 2.410 1.678 -8.665 1.00 0.63 H new ATOM 0 HG1 THR A 22 2.903 0.783 -10.763 1.00 2.46 H new ATOM 0 HG21 THR A 22 1.816 2.934 -10.709 1.00 1.58 H new ATOM 0 HG22 THR A 22 2.308 4.034 -9.400 1.00 1.58 H new ATOM 0 HG23 THR A 22 3.436 3.672 -10.728 1.00 1.58 H new ATOM 349 N GLU A 23 5.721 4.504 -8.988 1.00 0.45 N ATOM 350 CA GLU A 23 6.743 5.213 -9.812 1.00 0.46 C ATOM 351 C GLU A 23 8.030 4.388 -9.759 1.00 0.47 C ATOM 352 O GLU A 23 8.720 4.219 -10.745 1.00 0.47 O ATOM 353 CB GLU A 23 6.985 6.616 -9.246 1.00 0.62 C ATOM 354 CG GLU A 23 8.058 7.338 -10.073 1.00 1.27 C ATOM 355 CD GLU A 23 7.387 8.282 -11.074 1.00 1.14 C ATOM 356 OE1 GLU A 23 6.699 7.788 -11.952 1.00 1.87 O ATOM 357 OE2 GLU A 23 7.574 9.481 -10.944 1.00 1.35 O ATOM 0 H GLU A 23 5.319 5.044 -8.222 1.00 0.45 H new ATOM 0 HA GLU A 23 6.404 5.319 -10.843 1.00 0.46 H new ATOM 0 HB2 GLU A 23 6.057 7.188 -9.260 1.00 0.62 H new ATOM 0 HB3 GLU A 23 7.301 6.548 -8.205 1.00 0.62 H new ATOM 0 HG2 GLU A 23 8.721 7.901 -9.415 1.00 1.27 H new ATOM 0 HG3 GLU A 23 8.675 6.611 -10.601 1.00 1.27 H new ATOM 364 N GLN A 24 8.329 3.844 -8.614 1.00 0.51 N ATOM 365 CA GLN A 24 9.538 2.988 -8.473 1.00 0.61 C ATOM 366 C GLN A 24 9.063 1.534 -8.414 1.00 0.75 C ATOM 367 O GLN A 24 9.189 0.860 -7.411 1.00 0.97 O ATOM 368 CB GLN A 24 10.275 3.353 -7.181 1.00 0.86 C ATOM 369 CG GLN A 24 11.521 4.169 -7.523 1.00 0.51 C ATOM 370 CD GLN A 24 12.732 3.237 -7.578 1.00 1.92 C ATOM 371 OE1 GLN A 24 12.732 2.270 -8.313 1.00 2.98 O ATOM 372 NE2 GLN A 24 13.767 3.485 -6.824 1.00 2.38 N ATOM 0 H GLN A 24 7.782 3.957 -7.761 1.00 0.51 H new ATOM 0 HA GLN A 24 10.220 3.133 -9.311 1.00 0.61 H new ATOM 0 HB2 GLN A 24 9.620 3.926 -6.525 1.00 0.86 H new ATOM 0 HB3 GLN A 24 10.555 2.449 -6.641 1.00 0.86 H new ATOM 0 HG2 GLN A 24 11.390 4.671 -8.481 1.00 0.51 H new ATOM 0 HG3 GLN A 24 11.678 4.946 -6.775 1.00 0.51 H new ATOM 0 HE21 GLN A 24 13.766 4.297 -6.207 1.00 2.38 H new ATOM 0 HE22 GLN A 24 14.578 2.867 -6.851 1.00 2.38 H new ATOM 381 N LYS A 25 8.478 1.066 -9.485 1.00 0.80 N ATOM 382 CA LYS A 25 7.935 -0.324 -9.518 1.00 1.14 C ATOM 383 C LYS A 25 9.009 -1.348 -9.901 1.00 0.83 C ATOM 384 O LYS A 25 8.688 -2.464 -10.259 1.00 0.93 O ATOM 385 CB LYS A 25 6.825 -0.394 -10.567 1.00 1.81 C ATOM 386 CG LYS A 25 7.462 -0.582 -11.948 1.00 3.09 C ATOM 387 CD LYS A 25 6.532 -0.041 -13.036 1.00 3.92 C ATOM 388 CE LYS A 25 6.007 -1.205 -13.873 1.00 4.58 C ATOM 389 NZ LYS A 25 5.452 -2.249 -12.969 1.00 3.92 N ATOM 0 H LYS A 25 8.352 1.594 -10.348 1.00 0.80 H new ATOM 0 HA LYS A 25 7.565 -0.561 -8.520 1.00 1.14 H new ATOM 0 HB2 LYS A 25 6.150 -1.221 -10.347 1.00 1.81 H new ATOM 0 HB3 LYS A 25 6.229 0.518 -10.547 1.00 1.81 H new ATOM 0 HG2 LYS A 25 8.420 -0.064 -11.988 1.00 3.09 H new ATOM 0 HG3 LYS A 25 7.663 -1.639 -12.123 1.00 3.09 H new ATOM 0 HD2 LYS A 25 5.701 0.501 -12.584 1.00 3.92 H new ATOM 0 HD3 LYS A 25 7.067 0.666 -13.670 1.00 3.92 H new ATOM 0 HE2 LYS A 25 5.236 -0.855 -14.560 1.00 4.58 H new ATOM 0 HE3 LYS A 25 6.810 -1.623 -14.480 1.00 4.58 H new ATOM 0 HZ1 LYS A 25 4.684 -2.755 -13.454 1.00 3.92 H new ATOM 0 HZ2 LYS A 25 6.203 -2.922 -12.713 1.00 3.92 H new ATOM 0 HZ3 LYS A 25 5.081 -1.800 -12.107 1.00 3.92 H new ATOM 403 N THR A 26 10.265 -1.003 -9.853 1.00 0.84 N ATOM 404 CA THR A 26 11.298 -2.006 -10.245 1.00 0.60 C ATOM 405 C THR A 26 12.439 -2.042 -9.229 1.00 0.33 C ATOM 406 O THR A 26 12.660 -3.036 -8.567 1.00 0.21 O ATOM 407 CB THR A 26 11.856 -1.652 -11.627 1.00 0.89 C ATOM 408 OG1 THR A 26 12.021 -0.245 -11.727 1.00 1.02 O ATOM 409 CG2 THR A 26 10.888 -2.128 -12.710 1.00 1.13 C ATOM 0 H THR A 26 10.618 -0.090 -9.566 1.00 0.84 H new ATOM 0 HA THR A 26 10.830 -2.990 -10.273 1.00 0.60 H new ATOM 0 HB THR A 26 12.820 -2.142 -11.762 1.00 0.89 H new ATOM 0 HG1 THR A 26 12.380 -0.020 -12.611 1.00 1.02 H new ATOM 0 HG21 THR A 26 11.288 -1.875 -13.692 1.00 1.13 H new ATOM 0 HG22 THR A 26 10.763 -3.208 -12.637 1.00 1.13 H new ATOM 0 HG23 THR A 26 9.922 -1.641 -12.575 1.00 1.13 H new ATOM 417 N LEU A 27 13.182 -0.979 -9.119 1.00 0.70 N ATOM 418 CA LEU A 27 14.332 -0.964 -8.167 1.00 0.59 C ATOM 419 C LEU A 27 13.852 -1.143 -6.723 1.00 0.62 C ATOM 420 O LEU A 27 14.364 -1.970 -6.000 1.00 0.57 O ATOM 421 CB LEU A 27 15.073 0.366 -8.300 1.00 0.64 C ATOM 422 CG LEU A 27 16.582 0.116 -8.280 1.00 0.57 C ATOM 423 CD1 LEU A 27 17.317 1.421 -8.584 1.00 1.68 C ATOM 424 CD2 LEU A 27 16.992 -0.390 -6.895 1.00 0.72 C ATOM 0 H LEU A 27 13.045 -0.117 -9.647 1.00 0.70 H new ATOM 0 HA LEU A 27 14.999 -1.792 -8.409 1.00 0.59 H new ATOM 0 HB2 LEU A 27 14.788 0.861 -9.228 1.00 0.64 H new ATOM 0 HB3 LEU A 27 14.794 1.033 -7.484 1.00 0.64 H new ATOM 0 HG LEU A 27 16.840 -0.629 -9.032 1.00 0.57 H new ATOM 0 HD11 LEU A 27 18.393 1.245 -8.570 1.00 1.68 H new ATOM 0 HD12 LEU A 27 17.022 1.784 -9.568 1.00 1.68 H new ATOM 0 HD13 LEU A 27 17.062 2.166 -7.831 1.00 1.68 H new ATOM 0 HD21 LEU A 27 18.067 -0.569 -6.877 1.00 0.72 H new ATOM 0 HD22 LEU A 27 16.736 0.357 -6.144 1.00 0.72 H new ATOM 0 HD23 LEU A 27 16.465 -1.319 -6.676 1.00 0.72 H new ATOM 436 N CYS A 28 12.893 -0.377 -6.285 1.00 0.72 N ATOM 437 CA CYS A 28 12.426 -0.532 -4.874 1.00 0.76 C ATOM 438 C CYS A 28 11.458 -1.715 -4.745 1.00 0.72 C ATOM 439 O CYS A 28 11.104 -2.111 -3.654 1.00 0.82 O ATOM 440 CB CYS A 28 11.738 0.750 -4.403 1.00 0.85 C ATOM 441 SG CYS A 28 12.304 1.141 -2.727 1.00 0.66 S ATOM 0 H CYS A 28 12.416 0.341 -6.831 1.00 0.72 H new ATOM 0 HA CYS A 28 13.297 -0.726 -4.248 1.00 0.76 H new ATOM 0 HB2 CYS A 28 11.970 1.572 -5.080 1.00 0.85 H new ATOM 0 HB3 CYS A 28 10.656 0.623 -4.415 1.00 0.85 H new ATOM 446 N THR A 29 11.035 -2.300 -5.831 1.00 0.62 N ATOM 447 CA THR A 29 10.110 -3.464 -5.717 1.00 0.55 C ATOM 448 C THR A 29 10.921 -4.763 -5.631 1.00 0.45 C ATOM 449 O THR A 29 10.374 -5.848 -5.647 1.00 0.42 O ATOM 450 CB THR A 29 9.190 -3.502 -6.932 1.00 0.63 C ATOM 451 OG1 THR A 29 9.971 -3.508 -8.118 1.00 0.68 O ATOM 452 CG2 THR A 29 8.296 -2.266 -6.909 1.00 0.83 C ATOM 0 H THR A 29 11.285 -2.028 -6.782 1.00 0.62 H new ATOM 0 HA THR A 29 9.507 -3.363 -4.814 1.00 0.55 H new ATOM 0 HB THR A 29 8.575 -4.402 -6.907 1.00 0.63 H new ATOM 0 HG1 THR A 29 10.432 -4.369 -8.202 1.00 0.68 H new ATOM 0 HG21 THR A 29 7.632 -2.281 -7.774 1.00 0.83 H new ATOM 0 HG22 THR A 29 7.702 -2.264 -5.995 1.00 0.83 H new ATOM 0 HG23 THR A 29 8.914 -1.369 -6.942 1.00 0.83 H new ATOM 460 N GLU A 30 12.222 -4.663 -5.524 1.00 0.48 N ATOM 461 CA GLU A 30 13.065 -5.881 -5.420 1.00 0.58 C ATOM 462 C GLU A 30 13.018 -6.433 -3.983 1.00 0.59 C ATOM 463 O GLU A 30 13.617 -7.446 -3.684 1.00 0.31 O ATOM 464 CB GLU A 30 14.505 -5.501 -5.769 1.00 0.80 C ATOM 465 CG GLU A 30 15.056 -4.563 -4.692 1.00 2.13 C ATOM 466 CD GLU A 30 16.467 -4.116 -5.078 1.00 2.75 C ATOM 467 OE1 GLU A 30 16.623 -3.581 -6.163 1.00 3.16 O ATOM 468 OE2 GLU A 30 17.369 -4.317 -4.282 1.00 3.21 O ATOM 0 H GLU A 30 12.735 -3.781 -5.505 1.00 0.48 H new ATOM 0 HA GLU A 30 12.696 -6.646 -6.103 1.00 0.58 H new ATOM 0 HB2 GLU A 30 15.123 -6.396 -5.838 1.00 0.80 H new ATOM 0 HB3 GLU A 30 14.539 -5.014 -6.744 1.00 0.80 H new ATOM 0 HG2 GLU A 30 14.405 -3.695 -4.583 1.00 2.13 H new ATOM 0 HG3 GLU A 30 15.075 -5.071 -3.728 1.00 2.13 H new ATOM 475 N LEU A 31 12.317 -5.773 -3.090 1.00 1.13 N ATOM 476 CA LEU A 31 12.237 -6.252 -1.687 1.00 1.27 C ATOM 477 C LEU A 31 10.945 -7.044 -1.514 1.00 1.36 C ATOM 478 O LEU A 31 9.931 -6.516 -1.112 1.00 2.04 O ATOM 479 CB LEU A 31 12.241 -5.053 -0.732 1.00 1.38 C ATOM 480 CG LEU A 31 13.346 -4.070 -1.137 1.00 1.42 C ATOM 481 CD1 LEU A 31 12.729 -2.733 -1.559 1.00 2.03 C ATOM 482 CD2 LEU A 31 14.274 -3.842 0.056 1.00 1.77 C ATOM 0 H LEU A 31 11.796 -4.918 -3.282 1.00 1.13 H new ATOM 0 HA LEU A 31 13.094 -6.887 -1.461 1.00 1.27 H new ATOM 0 HB2 LEU A 31 11.272 -4.555 -0.755 1.00 1.38 H new ATOM 0 HB3 LEU A 31 12.401 -5.392 0.292 1.00 1.38 H new ATOM 0 HG LEU A 31 13.908 -4.485 -1.974 1.00 1.42 H new ATOM 0 HD11 LEU A 31 13.521 -2.041 -1.845 1.00 2.03 H new ATOM 0 HD12 LEU A 31 12.062 -2.891 -2.406 1.00 2.03 H new ATOM 0 HD13 LEU A 31 12.164 -2.314 -0.726 1.00 2.03 H new ATOM 0 HD21 LEU A 31 15.063 -3.144 -0.225 1.00 1.77 H new ATOM 0 HD22 LEU A 31 13.703 -3.429 0.888 1.00 1.77 H new ATOM 0 HD23 LEU A 31 14.719 -4.790 0.357 1.00 1.77 H new ATOM 494 N THR A 32 10.997 -8.305 -1.849 1.00 0.96 N ATOM 495 CA THR A 32 9.801 -9.210 -1.754 1.00 0.97 C ATOM 496 C THR A 32 8.959 -8.910 -0.503 1.00 0.91 C ATOM 497 O THR A 32 9.476 -8.582 0.548 1.00 0.88 O ATOM 498 CB THR A 32 10.286 -10.659 -1.689 1.00 0.97 C ATOM 499 OG1 THR A 32 11.399 -10.741 -0.809 1.00 0.85 O ATOM 500 CG2 THR A 32 10.704 -11.121 -3.085 1.00 1.11 C ATOM 0 H THR A 32 11.840 -8.763 -2.195 1.00 0.96 H new ATOM 0 HA THR A 32 9.176 -9.044 -2.631 1.00 0.97 H new ATOM 0 HB THR A 32 9.482 -11.298 -1.323 1.00 0.97 H new ATOM 0 HG1 THR A 32 11.810 -11.627 -0.884 1.00 0.85 H new ATOM 0 HG21 THR A 32 11.050 -12.154 -3.038 1.00 1.11 H new ATOM 0 HG22 THR A 32 9.851 -11.054 -3.761 1.00 1.11 H new ATOM 0 HG23 THR A 32 11.509 -10.485 -3.453 1.00 1.11 H new ATOM 508 N VAL A 33 7.657 -9.030 -0.620 1.00 0.89 N ATOM 509 CA VAL A 33 6.748 -8.768 0.537 1.00 0.82 C ATOM 510 C VAL A 33 5.752 -9.937 0.628 1.00 0.76 C ATOM 511 O VAL A 33 6.071 -11.049 0.255 1.00 0.75 O ATOM 512 CB VAL A 33 5.997 -7.445 0.315 1.00 0.75 C ATOM 513 CG1 VAL A 33 6.995 -6.293 0.161 1.00 0.92 C ATOM 514 CG2 VAL A 33 5.134 -7.551 -0.946 1.00 0.63 C ATOM 0 H VAL A 33 7.182 -9.302 -1.481 1.00 0.89 H new ATOM 0 HA VAL A 33 7.317 -8.688 1.463 1.00 0.82 H new ATOM 0 HB VAL A 33 5.359 -7.248 1.177 1.00 0.75 H new ATOM 0 HG11 VAL A 33 6.453 -5.360 0.004 1.00 0.92 H new ATOM 0 HG12 VAL A 33 7.601 -6.213 1.064 1.00 0.92 H new ATOM 0 HG13 VAL A 33 7.643 -6.485 -0.695 1.00 0.92 H new ATOM 0 HG21 VAL A 33 4.602 -6.613 -1.103 1.00 0.63 H new ATOM 0 HG22 VAL A 33 5.771 -7.755 -1.807 1.00 0.63 H new ATOM 0 HG23 VAL A 33 4.414 -8.361 -0.827 1.00 0.63 H new ATOM 524 N THR A 34 4.556 -9.715 1.118 1.00 0.80 N ATOM 525 CA THR A 34 3.578 -10.835 1.218 1.00 0.75 C ATOM 526 C THR A 34 2.407 -10.602 0.268 1.00 0.68 C ATOM 527 O THR A 34 1.899 -9.506 0.146 1.00 0.63 O ATOM 528 CB THR A 34 3.046 -10.919 2.656 1.00 0.62 C ATOM 529 OG1 THR A 34 3.516 -12.119 3.257 1.00 0.76 O ATOM 530 CG2 THR A 34 1.508 -10.909 2.662 1.00 0.46 C ATOM 0 H THR A 34 4.220 -8.811 1.450 1.00 0.80 H new ATOM 0 HA THR A 34 4.079 -11.765 0.948 1.00 0.75 H new ATOM 0 HB THR A 34 3.402 -10.056 3.218 1.00 0.62 H new ATOM 0 HG1 THR A 34 3.181 -12.178 4.176 1.00 0.76 H new ATOM 0 HG21 THR A 34 1.148 -10.969 3.689 1.00 0.46 H new ATOM 0 HG22 THR A 34 1.148 -9.987 2.205 1.00 0.46 H new ATOM 0 HG23 THR A 34 1.136 -11.764 2.097 1.00 0.46 H new ATOM 538 N ASP A 35 1.944 -11.641 -0.366 1.00 0.74 N ATOM 539 CA ASP A 35 0.770 -11.503 -1.266 1.00 0.66 C ATOM 540 C ASP A 35 -0.476 -11.775 -0.424 1.00 0.47 C ATOM 541 O ASP A 35 -0.447 -12.591 0.475 1.00 0.83 O ATOM 542 CB ASP A 35 0.866 -12.527 -2.401 1.00 0.77 C ATOM 543 CG ASP A 35 0.383 -11.894 -3.707 1.00 1.26 C ATOM 544 OD1 ASP A 35 0.734 -10.752 -3.954 1.00 2.60 O ATOM 545 OD2 ASP A 35 -0.328 -12.564 -4.438 1.00 1.03 O ATOM 0 H ASP A 35 2.330 -12.583 -0.299 1.00 0.74 H new ATOM 0 HA ASP A 35 0.730 -10.507 -1.707 1.00 0.66 H new ATOM 0 HB2 ASP A 35 1.895 -12.869 -2.510 1.00 0.77 H new ATOM 0 HB3 ASP A 35 0.263 -13.404 -2.165 1.00 0.77 H new ATOM 550 N ILE A 36 -1.563 -11.097 -0.676 1.00 0.41 N ATOM 551 CA ILE A 36 -2.776 -11.339 0.159 1.00 0.19 C ATOM 552 C ILE A 36 -4.010 -11.552 -0.727 1.00 0.21 C ATOM 553 O ILE A 36 -5.130 -11.374 -0.294 1.00 0.23 O ATOM 554 CB ILE A 36 -2.982 -10.144 1.100 1.00 0.14 C ATOM 555 CG1 ILE A 36 -3.614 -8.966 0.347 1.00 0.28 C ATOM 556 CG2 ILE A 36 -1.622 -9.710 1.655 1.00 0.18 C ATOM 557 CD1 ILE A 36 -3.831 -7.805 1.319 1.00 0.69 C ATOM 0 H ILE A 36 -1.665 -10.397 -1.411 1.00 0.41 H new ATOM 0 HA ILE A 36 -2.634 -12.244 0.750 1.00 0.19 H new ATOM 0 HB ILE A 36 -3.648 -10.442 1.910 1.00 0.14 H new ATOM 0 HG12 ILE A 36 -2.967 -8.654 -0.472 1.00 0.28 H new ATOM 0 HG13 ILE A 36 -4.564 -9.269 -0.094 1.00 0.28 H new ATOM 0 HG21 ILE A 36 -1.757 -8.861 2.325 1.00 0.18 H new ATOM 0 HG22 ILE A 36 -1.172 -10.538 2.203 1.00 0.18 H new ATOM 0 HG23 ILE A 36 -0.968 -9.422 0.832 1.00 0.18 H new ATOM 0 HD11 ILE A 36 -4.280 -6.965 0.788 1.00 0.69 H new ATOM 0 HD12 ILE A 36 -4.495 -8.123 2.123 1.00 0.69 H new ATOM 0 HD13 ILE A 36 -2.873 -7.498 1.739 1.00 0.69 H new ATOM 569 N PHE A 37 -3.819 -11.954 -1.955 1.00 0.36 N ATOM 570 CA PHE A 37 -4.990 -12.192 -2.849 1.00 0.51 C ATOM 571 C PHE A 37 -5.010 -13.659 -3.310 1.00 0.50 C ATOM 572 O PHE A 37 -5.646 -13.996 -4.289 1.00 0.79 O ATOM 573 CB PHE A 37 -4.897 -11.280 -4.074 1.00 0.70 C ATOM 574 CG PHE A 37 -4.441 -9.901 -3.653 1.00 0.40 C ATOM 575 CD1 PHE A 37 -5.176 -9.175 -2.707 1.00 0.71 C ATOM 576 CD2 PHE A 37 -3.284 -9.346 -4.215 1.00 0.73 C ATOM 577 CE1 PHE A 37 -4.753 -7.894 -2.324 1.00 0.86 C ATOM 578 CE2 PHE A 37 -2.862 -8.067 -3.832 1.00 0.71 C ATOM 579 CZ PHE A 37 -3.596 -7.341 -2.886 1.00 0.60 C ATOM 0 H PHE A 37 -2.907 -12.127 -2.377 1.00 0.36 H new ATOM 0 HA PHE A 37 -5.905 -11.974 -2.298 1.00 0.51 H new ATOM 0 HB2 PHE A 37 -4.198 -11.699 -4.798 1.00 0.70 H new ATOM 0 HB3 PHE A 37 -5.867 -11.217 -4.567 1.00 0.70 H new ATOM 0 HD1 PHE A 37 -6.068 -9.602 -2.273 1.00 0.71 H new ATOM 0 HD2 PHE A 37 -2.717 -9.905 -4.944 1.00 0.73 H new ATOM 0 HE1 PHE A 37 -5.320 -7.334 -1.595 1.00 0.86 H new ATOM 0 HE2 PHE A 37 -1.970 -7.640 -4.266 1.00 0.71 H new ATOM 0 HZ PHE A 37 -3.270 -6.355 -2.590 1.00 0.60 H new ATOM 589 N ALA A 38 -4.324 -14.535 -2.618 1.00 0.28 N ATOM 590 CA ALA A 38 -4.314 -15.972 -3.025 1.00 0.29 C ATOM 591 C ALA A 38 -5.549 -16.686 -2.464 1.00 0.39 C ATOM 592 O ALA A 38 -5.961 -17.713 -2.965 1.00 0.57 O ATOM 593 CB ALA A 38 -3.057 -16.652 -2.474 1.00 0.33 C ATOM 0 H ALA A 38 -3.771 -14.316 -1.789 1.00 0.28 H new ATOM 0 HA ALA A 38 -4.323 -16.029 -4.113 1.00 0.29 H new ATOM 0 HB1 ALA A 38 -3.051 -17.701 -2.771 1.00 0.33 H new ATOM 0 HB2 ALA A 38 -2.171 -16.157 -2.872 1.00 0.33 H new ATOM 0 HB3 ALA A 38 -3.053 -16.583 -1.386 1.00 0.33 H new ATOM 599 N ALA A 39 -6.137 -16.163 -1.420 1.00 0.33 N ATOM 600 CA ALA A 39 -7.333 -16.830 -0.835 1.00 0.49 C ATOM 601 C ALA A 39 -8.461 -15.809 -0.664 1.00 0.43 C ATOM 602 O ALA A 39 -8.911 -15.535 0.432 1.00 0.82 O ATOM 603 CB ALA A 39 -6.961 -17.436 0.524 1.00 0.62 C ATOM 0 H ALA A 39 -5.841 -15.307 -0.950 1.00 0.33 H new ATOM 0 HA ALA A 39 -7.673 -17.623 -1.501 1.00 0.49 H new ATOM 0 HB1 ALA A 39 -7.834 -17.925 0.955 1.00 0.62 H new ATOM 0 HB2 ALA A 39 -6.164 -18.168 0.390 1.00 0.62 H new ATOM 0 HB3 ALA A 39 -6.620 -16.646 1.193 1.00 0.62 H new ATOM 609 N SER A 40 -8.931 -15.254 -1.747 1.00 0.65 N ATOM 610 CA SER A 40 -10.038 -14.263 -1.657 1.00 0.92 C ATOM 611 C SER A 40 -11.370 -15.014 -1.626 1.00 0.93 C ATOM 612 O SER A 40 -11.832 -15.516 -2.631 1.00 1.38 O ATOM 613 CB SER A 40 -10.002 -13.340 -2.877 1.00 1.40 C ATOM 614 OG SER A 40 -8.731 -12.708 -2.951 1.00 1.92 O ATOM 0 H SER A 40 -8.595 -15.445 -2.691 1.00 0.65 H new ATOM 0 HA SER A 40 -9.926 -13.665 -0.753 1.00 0.92 H new ATOM 0 HB2 SER A 40 -10.190 -13.912 -3.786 1.00 1.40 H new ATOM 0 HB3 SER A 40 -10.790 -12.590 -2.804 1.00 1.40 H new ATOM 0 HG SER A 40 -8.704 -12.117 -3.733 1.00 1.92 H new ATOM 620 N LYS A 41 -11.986 -15.108 -0.480 1.00 0.51 N ATOM 621 CA LYS A 41 -13.279 -15.842 -0.394 1.00 0.64 C ATOM 622 C LYS A 41 -14.398 -14.875 0.000 1.00 0.64 C ATOM 623 O LYS A 41 -15.493 -14.932 -0.523 1.00 0.83 O ATOM 624 CB LYS A 41 -13.155 -16.951 0.653 1.00 0.64 C ATOM 625 CG LYS A 41 -14.178 -18.047 0.362 1.00 1.26 C ATOM 626 CD LYS A 41 -15.368 -17.900 1.309 1.00 2.12 C ATOM 627 CE LYS A 41 -16.654 -17.759 0.493 1.00 3.44 C ATOM 628 NZ LYS A 41 -17.799 -18.310 1.270 1.00 4.57 N ATOM 0 H LYS A 41 -11.651 -14.710 0.397 1.00 0.51 H new ATOM 0 HA LYS A 41 -13.518 -16.280 -1.363 1.00 0.64 H new ATOM 0 HB2 LYS A 41 -12.148 -17.367 0.639 1.00 0.64 H new ATOM 0 HB3 LYS A 41 -13.318 -16.543 1.651 1.00 0.64 H new ATOM 0 HG2 LYS A 41 -14.513 -17.980 -0.673 1.00 1.26 H new ATOM 0 HG3 LYS A 41 -13.720 -19.028 0.486 1.00 1.26 H new ATOM 0 HD2 LYS A 41 -15.434 -18.768 1.965 1.00 2.12 H new ATOM 0 HD3 LYS A 41 -15.232 -17.027 1.948 1.00 2.12 H new ATOM 0 HE2 LYS A 41 -16.833 -16.710 0.255 1.00 3.44 H new ATOM 0 HE3 LYS A 41 -16.556 -18.288 -0.455 1.00 3.44 H new ATOM 0 HZ1 LYS A 41 -18.673 -18.214 0.715 1.00 4.57 H new ATOM 0 HZ2 LYS A 41 -17.628 -19.315 1.475 1.00 4.57 H new ATOM 0 HZ3 LYS A 41 -17.897 -17.786 2.163 1.00 4.57 H new ATOM 642 N ASP A 42 -14.131 -13.982 0.912 1.00 0.57 N ATOM 643 CA ASP A 42 -15.170 -13.001 1.341 1.00 0.83 C ATOM 644 C ASP A 42 -14.470 -11.785 1.943 1.00 0.75 C ATOM 645 O ASP A 42 -14.564 -11.525 3.127 1.00 0.54 O ATOM 646 CB ASP A 42 -16.081 -13.636 2.396 1.00 0.97 C ATOM 647 CG ASP A 42 -17.442 -12.941 2.384 1.00 2.10 C ATOM 648 OD1 ASP A 42 -17.510 -11.805 2.821 1.00 2.77 O ATOM 649 OD2 ASP A 42 -18.396 -13.558 1.939 1.00 2.70 O ATOM 0 H ASP A 42 -13.231 -13.888 1.383 1.00 0.57 H new ATOM 0 HA ASP A 42 -15.774 -12.704 0.484 1.00 0.83 H new ATOM 0 HB2 ASP A 42 -16.203 -14.700 2.193 1.00 0.97 H new ATOM 0 HB3 ASP A 42 -15.626 -13.550 3.383 1.00 0.97 H new ATOM 654 N THR A 43 -13.750 -11.051 1.144 1.00 0.97 N ATOM 655 CA THR A 43 -13.024 -9.867 1.678 1.00 0.90 C ATOM 656 C THR A 43 -13.583 -8.579 1.077 1.00 0.90 C ATOM 657 O THR A 43 -13.577 -8.385 -0.122 1.00 1.22 O ATOM 658 CB THR A 43 -11.540 -9.987 1.323 1.00 1.15 C ATOM 659 OG1 THR A 43 -11.397 -10.092 -0.088 1.00 1.59 O ATOM 660 CG2 THR A 43 -10.961 -11.232 1.990 1.00 1.53 C ATOM 0 H THR A 43 -13.633 -11.219 0.145 1.00 0.97 H new ATOM 0 HA THR A 43 -13.151 -9.833 2.760 1.00 0.90 H new ATOM 0 HB THR A 43 -11.007 -9.104 1.675 1.00 1.15 H new ATOM 0 HG1 THR A 43 -12.167 -9.673 -0.527 1.00 1.59 H new ATOM 0 HG21 THR A 43 -9.904 -11.321 1.739 1.00 1.53 H new ATOM 0 HG22 THR A 43 -11.072 -11.150 3.071 1.00 1.53 H new ATOM 0 HG23 THR A 43 -11.493 -12.115 1.636 1.00 1.53 H new ATOM 668 N THR A 44 -14.042 -7.684 1.908 1.00 0.79 N ATOM 669 CA THR A 44 -14.574 -6.392 1.394 1.00 0.90 C ATOM 670 C THR A 44 -13.408 -5.402 1.305 1.00 0.71 C ATOM 671 O THR A 44 -12.281 -5.758 1.569 1.00 0.58 O ATOM 672 CB THR A 44 -15.677 -5.879 2.336 1.00 0.97 C ATOM 673 OG1 THR A 44 -16.296 -4.732 1.773 1.00 3.03 O ATOM 674 CG2 THR A 44 -15.082 -5.523 3.699 1.00 2.14 C ATOM 0 H THR A 44 -14.071 -7.792 2.922 1.00 0.79 H new ATOM 0 HA THR A 44 -15.015 -6.515 0.405 1.00 0.90 H new ATOM 0 HB THR A 44 -16.421 -6.665 2.467 1.00 0.97 H new ATOM 0 HG1 THR A 44 -16.999 -4.410 2.376 1.00 3.03 H new ATOM 0 HG21 THR A 44 -15.872 -5.161 4.357 1.00 2.14 H new ATOM 0 HG22 THR A 44 -14.621 -6.408 4.137 1.00 2.14 H new ATOM 0 HG23 THR A 44 -14.328 -4.745 3.575 1.00 2.14 H new ATOM 682 N GLU A 45 -13.642 -4.180 0.911 1.00 0.88 N ATOM 683 CA GLU A 45 -12.500 -3.223 0.794 1.00 0.65 C ATOM 684 C GLU A 45 -11.938 -2.884 2.179 1.00 0.56 C ATOM 685 O GLU A 45 -10.751 -2.698 2.339 1.00 0.46 O ATOM 686 CB GLU A 45 -12.955 -1.941 0.089 1.00 0.66 C ATOM 687 CG GLU A 45 -13.636 -1.002 1.088 1.00 0.77 C ATOM 688 CD GLU A 45 -14.440 0.055 0.327 1.00 1.02 C ATOM 689 OE1 GLU A 45 -15.526 -0.266 -0.127 1.00 0.78 O ATOM 690 OE2 GLU A 45 -13.955 1.170 0.211 1.00 2.09 O ATOM 0 H GLU A 45 -14.559 -3.805 0.668 1.00 0.88 H new ATOM 0 HA GLU A 45 -11.715 -3.695 0.204 1.00 0.65 H new ATOM 0 HB2 GLU A 45 -12.098 -1.442 -0.364 1.00 0.66 H new ATOM 0 HB3 GLU A 45 -13.644 -2.186 -0.719 1.00 0.66 H new ATOM 0 HG2 GLU A 45 -14.293 -1.569 1.747 1.00 0.77 H new ATOM 0 HG3 GLU A 45 -12.889 -0.521 1.719 1.00 0.77 H new ATOM 697 N LYS A 46 -12.772 -2.801 3.179 1.00 0.61 N ATOM 698 CA LYS A 46 -12.267 -2.468 4.546 1.00 0.55 C ATOM 699 C LYS A 46 -11.303 -3.563 5.017 1.00 0.56 C ATOM 700 O LYS A 46 -10.280 -3.295 5.624 1.00 0.53 O ATOM 701 CB LYS A 46 -13.465 -2.341 5.510 1.00 0.56 C ATOM 702 CG LYS A 46 -13.317 -3.278 6.721 1.00 0.56 C ATOM 703 CD LYS A 46 -14.580 -3.209 7.596 1.00 0.69 C ATOM 704 CE LYS A 46 -14.931 -1.752 7.921 1.00 1.62 C ATOM 705 NZ LYS A 46 -16.179 -1.713 8.739 1.00 2.01 N ATOM 0 H LYS A 46 -13.779 -2.948 3.112 1.00 0.61 H new ATOM 0 HA LYS A 46 -11.729 -1.520 4.527 1.00 0.55 H new ATOM 0 HB2 LYS A 46 -13.548 -1.310 5.854 1.00 0.56 H new ATOM 0 HB3 LYS A 46 -14.387 -2.575 4.978 1.00 0.56 H new ATOM 0 HG2 LYS A 46 -13.155 -4.301 6.382 1.00 0.56 H new ATOM 0 HG3 LYS A 46 -12.443 -2.994 7.307 1.00 0.56 H new ATOM 0 HD2 LYS A 46 -15.414 -3.683 7.079 1.00 0.69 H new ATOM 0 HD3 LYS A 46 -14.420 -3.765 8.520 1.00 0.69 H new ATOM 0 HE2 LYS A 46 -14.112 -1.282 8.465 1.00 1.62 H new ATOM 0 HE3 LYS A 46 -15.069 -1.186 7.000 1.00 1.62 H new ATOM 0 HZ1 LYS A 46 -16.418 -0.725 8.960 1.00 2.01 H new ATOM 0 HZ2 LYS A 46 -16.958 -2.147 8.204 1.00 2.01 H new ATOM 0 HZ3 LYS A 46 -16.031 -2.240 9.623 1.00 2.01 H new ATOM 719 N GLU A 47 -11.622 -4.795 4.739 1.00 0.62 N ATOM 720 CA GLU A 47 -10.743 -5.919 5.164 1.00 0.68 C ATOM 721 C GLU A 47 -9.424 -5.879 4.388 1.00 0.62 C ATOM 722 O GLU A 47 -8.353 -5.957 4.958 1.00 0.61 O ATOM 723 CB GLU A 47 -11.461 -7.236 4.874 1.00 0.83 C ATOM 724 CG GLU A 47 -11.520 -8.085 6.143 1.00 0.72 C ATOM 725 CD GLU A 47 -11.896 -9.519 5.773 1.00 1.66 C ATOM 726 OE1 GLU A 47 -11.571 -9.927 4.670 1.00 2.61 O ATOM 727 OE2 GLU A 47 -12.501 -10.187 6.597 1.00 1.69 O ATOM 0 H GLU A 47 -12.461 -5.074 4.231 1.00 0.62 H new ATOM 0 HA GLU A 47 -10.528 -5.831 6.229 1.00 0.68 H new ATOM 0 HB2 GLU A 47 -12.470 -7.038 4.511 1.00 0.83 H new ATOM 0 HB3 GLU A 47 -10.939 -7.779 4.086 1.00 0.83 H new ATOM 0 HG2 GLU A 47 -10.555 -8.069 6.650 1.00 0.72 H new ATOM 0 HG3 GLU A 47 -12.252 -7.672 6.837 1.00 0.72 H new ATOM 734 N THR A 48 -9.493 -5.780 3.089 1.00 0.59 N ATOM 735 CA THR A 48 -8.246 -5.759 2.271 1.00 0.55 C ATOM 736 C THR A 48 -7.386 -4.538 2.615 1.00 0.49 C ATOM 737 O THR A 48 -6.189 -4.537 2.397 1.00 0.48 O ATOM 738 CB THR A 48 -8.615 -5.707 0.789 1.00 0.57 C ATOM 739 OG1 THR A 48 -9.548 -6.736 0.498 1.00 0.70 O ATOM 740 CG2 THR A 48 -7.358 -5.901 -0.056 1.00 0.43 C ATOM 0 H THR A 48 -10.361 -5.713 2.557 1.00 0.59 H new ATOM 0 HA THR A 48 -7.675 -6.662 2.489 1.00 0.55 H new ATOM 0 HB THR A 48 -9.060 -4.739 0.558 1.00 0.57 H new ATOM 0 HG1 THR A 48 -10.451 -6.435 0.734 1.00 0.70 H new ATOM 0 HG21 THR A 48 -7.621 -5.864 -1.113 1.00 0.43 H new ATOM 0 HG22 THR A 48 -6.643 -5.109 0.168 1.00 0.43 H new ATOM 0 HG23 THR A 48 -6.911 -6.869 0.173 1.00 0.43 H new ATOM 748 N PHE A 49 -7.972 -3.494 3.137 1.00 0.46 N ATOM 749 CA PHE A 49 -7.159 -2.287 3.470 1.00 0.41 C ATOM 750 C PHE A 49 -6.373 -2.535 4.761 1.00 0.37 C ATOM 751 O PHE A 49 -5.235 -2.132 4.883 1.00 0.34 O ATOM 752 CB PHE A 49 -8.067 -1.062 3.650 1.00 0.40 C ATOM 753 CG PHE A 49 -8.576 -0.561 2.308 1.00 0.45 C ATOM 754 CD1 PHE A 49 -7.739 -0.541 1.179 1.00 0.43 C ATOM 755 CD2 PHE A 49 -9.900 -0.112 2.194 1.00 1.17 C ATOM 756 CE1 PHE A 49 -8.229 -0.077 -0.046 1.00 0.40 C ATOM 757 CE2 PHE A 49 -10.385 0.350 0.965 1.00 1.23 C ATOM 758 CZ PHE A 49 -9.549 0.366 -0.154 1.00 0.57 C ATOM 0 H PHE A 49 -8.968 -3.424 3.346 1.00 0.46 H new ATOM 0 HA PHE A 49 -6.466 -2.095 2.650 1.00 0.41 H new ATOM 0 HB2 PHE A 49 -8.911 -1.321 4.290 1.00 0.40 H new ATOM 0 HB3 PHE A 49 -7.517 -0.268 4.154 1.00 0.40 H new ATOM 0 HD1 PHE A 49 -6.718 -0.884 1.257 1.00 0.43 H new ATOM 0 HD2 PHE A 49 -10.548 -0.123 3.058 1.00 1.17 H new ATOM 0 HE1 PHE A 49 -7.584 -0.061 -0.912 1.00 0.40 H new ATOM 0 HE2 PHE A 49 -11.405 0.694 0.882 1.00 1.23 H new ATOM 0 HZ PHE A 49 -9.923 0.721 -1.103 1.00 0.57 H new ATOM 768 N CYS A 50 -6.961 -3.187 5.727 1.00 0.39 N ATOM 769 CA CYS A 50 -6.220 -3.438 6.999 1.00 0.38 C ATOM 770 C CYS A 50 -5.054 -4.402 6.743 1.00 0.39 C ATOM 771 O CYS A 50 -3.967 -4.222 7.260 1.00 0.38 O ATOM 772 CB CYS A 50 -7.172 -4.045 8.038 1.00 0.41 C ATOM 773 SG CYS A 50 -6.459 -5.566 8.715 1.00 0.92 S ATOM 0 H CYS A 50 -7.912 -3.554 5.693 1.00 0.39 H new ATOM 0 HA CYS A 50 -5.826 -2.494 7.376 1.00 0.38 H new ATOM 0 HB2 CYS A 50 -7.352 -3.329 8.840 1.00 0.41 H new ATOM 0 HB3 CYS A 50 -8.137 -4.259 7.578 1.00 0.41 H new ATOM 778 N ARG A 51 -5.262 -5.425 5.954 1.00 0.42 N ATOM 779 CA ARG A 51 -4.152 -6.386 5.681 1.00 0.45 C ATOM 780 C ARG A 51 -3.010 -5.654 4.978 1.00 0.40 C ATOM 781 O ARG A 51 -1.902 -5.592 5.472 1.00 0.41 O ATOM 782 CB ARG A 51 -4.647 -7.519 4.774 1.00 0.55 C ATOM 783 CG ARG A 51 -5.554 -8.469 5.559 1.00 0.91 C ATOM 784 CD ARG A 51 -6.161 -9.491 4.592 1.00 1.15 C ATOM 785 NE ARG A 51 -6.544 -10.730 5.331 1.00 0.85 N ATOM 786 CZ ARG A 51 -7.324 -11.635 4.780 1.00 1.11 C ATOM 787 NH1 ARG A 51 -7.758 -11.506 3.547 1.00 1.63 N ATOM 788 NH2 ARG A 51 -7.664 -12.691 5.468 1.00 1.30 N ATOM 0 H ARG A 51 -6.146 -5.635 5.490 1.00 0.42 H new ATOM 0 HA ARG A 51 -3.805 -6.804 6.626 1.00 0.45 H new ATOM 0 HB2 ARG A 51 -5.191 -7.104 3.926 1.00 0.55 H new ATOM 0 HB3 ARG A 51 -3.797 -8.068 4.369 1.00 0.55 H new ATOM 0 HG2 ARG A 51 -4.984 -8.978 6.336 1.00 0.91 H new ATOM 0 HG3 ARG A 51 -6.344 -7.908 6.059 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -7.037 -9.065 4.102 1.00 1.15 H new ATOM 0 HD3 ARG A 51 -5.443 -9.733 3.808 1.00 1.15 H new ATOM 0 HE ARG A 51 -6.195 -10.877 6.278 1.00 0.85 H new ATOM 0 HH11 ARG A 51 -7.491 -10.691 2.995 1.00 1.63 H new ATOM 0 HH12 ARG A 51 -8.362 -12.221 3.141 1.00 1.63 H new ATOM 0 HH21 ARG A 51 -7.325 -12.808 6.423 1.00 1.30 H new ATOM 0 HH22 ARG A 51 -8.268 -13.399 5.051 1.00 1.30 H new ATOM 802 N ALA A 52 -3.273 -5.104 3.824 1.00 0.38 N ATOM 803 CA ALA A 52 -2.204 -4.383 3.082 1.00 0.34 C ATOM 804 C ALA A 52 -1.643 -3.237 3.930 1.00 0.31 C ATOM 805 O ALA A 52 -0.562 -2.747 3.672 1.00 0.34 O ATOM 806 CB ALA A 52 -2.781 -3.821 1.784 1.00 0.36 C ATOM 0 H ALA A 52 -4.183 -5.124 3.364 1.00 0.38 H new ATOM 0 HA ALA A 52 -1.397 -5.081 2.858 1.00 0.34 H new ATOM 0 HB1 ALA A 52 -2.000 -3.292 1.238 1.00 0.36 H new ATOM 0 HB2 ALA A 52 -3.162 -4.638 1.172 1.00 0.36 H new ATOM 0 HB3 ALA A 52 -3.593 -3.131 2.015 1.00 0.36 H new ATOM 812 N ALA A 53 -2.355 -2.795 4.936 1.00 0.27 N ATOM 813 CA ALA A 53 -1.825 -1.682 5.773 1.00 0.25 C ATOM 814 C ALA A 53 -0.707 -2.213 6.672 1.00 0.25 C ATOM 815 O ALA A 53 0.290 -1.555 6.889 1.00 0.23 O ATOM 816 CB ALA A 53 -2.942 -1.105 6.645 1.00 0.25 C ATOM 0 H ALA A 53 -3.270 -3.153 5.210 1.00 0.27 H new ATOM 0 HA ALA A 53 -1.437 -0.899 5.122 1.00 0.25 H new ATOM 0 HB1 ALA A 53 -2.546 -0.292 7.253 1.00 0.25 H new ATOM 0 HB2 ALA A 53 -3.741 -0.725 6.008 1.00 0.25 H new ATOM 0 HB3 ALA A 53 -3.336 -1.886 7.295 1.00 0.25 H new ATOM 822 N THR A 54 -0.866 -3.396 7.195 1.00 0.26 N ATOM 823 CA THR A 54 0.189 -3.969 8.078 1.00 0.27 C ATOM 824 C THR A 54 1.424 -4.299 7.236 1.00 0.27 C ATOM 825 O THR A 54 2.545 -4.051 7.638 1.00 0.29 O ATOM 826 CB THR A 54 -0.346 -5.238 8.745 1.00 0.32 C ATOM 827 OG1 THR A 54 -1.346 -4.877 9.687 1.00 0.61 O ATOM 828 CG2 THR A 54 0.792 -5.969 9.463 1.00 0.50 C ATOM 0 H THR A 54 -1.681 -3.992 7.050 1.00 0.26 H new ATOM 0 HA THR A 54 0.463 -3.249 8.849 1.00 0.27 H new ATOM 0 HB THR A 54 -0.769 -5.898 7.987 1.00 0.32 H new ATOM 0 HG1 THR A 54 -1.696 -5.684 10.118 1.00 0.61 H new ATOM 0 HG21 THR A 54 0.404 -6.871 9.936 1.00 0.50 H new ATOM 0 HG22 THR A 54 1.563 -6.240 8.741 1.00 0.50 H new ATOM 0 HG23 THR A 54 1.221 -5.317 10.224 1.00 0.50 H new ATOM 836 N VAL A 55 1.230 -4.844 6.066 1.00 0.29 N ATOM 837 CA VAL A 55 2.396 -5.174 5.202 1.00 0.28 C ATOM 838 C VAL A 55 3.065 -3.871 4.746 1.00 0.24 C ATOM 839 O VAL A 55 4.261 -3.817 4.533 1.00 0.25 O ATOM 840 CB VAL A 55 1.923 -5.968 3.982 1.00 0.28 C ATOM 841 CG1 VAL A 55 3.130 -6.346 3.121 1.00 0.29 C ATOM 842 CG2 VAL A 55 1.220 -7.244 4.452 1.00 0.37 C ATOM 0 H VAL A 55 0.317 -5.074 5.673 1.00 0.29 H new ATOM 0 HA VAL A 55 3.111 -5.776 5.762 1.00 0.28 H new ATOM 0 HB VAL A 55 1.233 -5.361 3.397 1.00 0.28 H new ATOM 0 HG11 VAL A 55 2.794 -6.912 2.252 1.00 0.29 H new ATOM 0 HG12 VAL A 55 3.639 -5.441 2.790 1.00 0.29 H new ATOM 0 HG13 VAL A 55 3.818 -6.956 3.707 1.00 0.29 H new ATOM 0 HG21 VAL A 55 0.881 -7.813 3.586 1.00 0.37 H new ATOM 0 HG22 VAL A 55 1.915 -7.849 5.034 1.00 0.37 H new ATOM 0 HG23 VAL A 55 0.362 -6.980 5.071 1.00 0.37 H new ATOM 852 N LEU A 56 2.300 -2.819 4.609 1.00 0.21 N ATOM 853 CA LEU A 56 2.883 -1.514 4.182 1.00 0.19 C ATOM 854 C LEU A 56 3.640 -0.888 5.353 1.00 0.23 C ATOM 855 O LEU A 56 4.578 -0.142 5.168 1.00 0.23 O ATOM 856 CB LEU A 56 1.764 -0.567 3.745 1.00 0.26 C ATOM 857 CG LEU A 56 1.838 -0.352 2.235 1.00 0.30 C ATOM 858 CD1 LEU A 56 1.571 -1.678 1.523 1.00 0.88 C ATOM 859 CD2 LEU A 56 0.784 0.676 1.818 1.00 0.61 C ATOM 0 H LEU A 56 1.294 -2.809 4.775 1.00 0.21 H new ATOM 0 HA LEU A 56 3.565 -1.681 3.348 1.00 0.19 H new ATOM 0 HB2 LEU A 56 0.794 -0.984 4.016 1.00 0.26 H new ATOM 0 HB3 LEU A 56 1.857 0.387 4.264 1.00 0.26 H new ATOM 0 HG LEU A 56 2.828 0.013 1.963 1.00 0.30 H new ATOM 0 HD11 LEU A 56 1.623 -1.529 0.445 1.00 0.88 H new ATOM 0 HD12 LEU A 56 2.320 -2.410 1.825 1.00 0.88 H new ATOM 0 HD13 LEU A 56 0.579 -2.042 1.792 1.00 0.88 H new ATOM 0 HD21 LEU A 56 0.834 0.832 0.740 1.00 0.61 H new ATOM 0 HD22 LEU A 56 -0.207 0.310 2.086 1.00 0.61 H new ATOM 0 HD23 LEU A 56 0.973 1.619 2.330 1.00 0.61 H new ATOM 871 N ARG A 57 3.243 -1.187 6.561 1.00 0.26 N ATOM 872 CA ARG A 57 3.949 -0.611 7.736 1.00 0.31 C ATOM 873 C ARG A 57 5.336 -1.246 7.832 1.00 0.31 C ATOM 874 O ARG A 57 6.315 -0.585 8.111 1.00 0.31 O ATOM 875 CB ARG A 57 3.156 -0.911 9.007 1.00 0.48 C ATOM 876 CG ARG A 57 3.595 0.039 10.120 1.00 0.69 C ATOM 877 CD ARG A 57 2.813 -0.289 11.391 1.00 0.66 C ATOM 878 NE ARG A 57 3.753 -0.817 12.424 1.00 0.81 N ATOM 879 CZ ARG A 57 3.377 -0.959 13.673 1.00 1.05 C ATOM 880 NH1 ARG A 57 2.170 -0.631 14.063 1.00 0.77 N ATOM 881 NH2 ARG A 57 4.222 -1.437 14.544 1.00 2.19 N ATOM 0 H ARG A 57 2.462 -1.804 6.782 1.00 0.26 H new ATOM 0 HA ARG A 57 4.042 0.469 7.623 1.00 0.31 H new ATOM 0 HB2 ARG A 57 2.089 -0.797 8.817 1.00 0.48 H new ATOM 0 HB3 ARG A 57 3.317 -1.945 9.313 1.00 0.48 H new ATOM 0 HG2 ARG A 57 4.665 -0.061 10.300 1.00 0.69 H new ATOM 0 HG3 ARG A 57 3.417 1.073 9.825 1.00 0.69 H new ATOM 0 HD2 ARG A 57 2.309 0.603 11.763 1.00 0.66 H new ATOM 0 HD3 ARG A 57 2.039 -1.026 11.176 1.00 0.66 H new ATOM 0 HE ARG A 57 4.703 -1.072 12.154 1.00 0.81 H new ATOM 0 HH11 ARG A 57 1.501 -0.257 13.390 1.00 0.77 H new ATOM 0 HH12 ARG A 57 1.900 -0.750 15.039 1.00 0.77 H new ATOM 0 HH21 ARG A 57 5.164 -1.696 14.251 1.00 2.19 H new ATOM 0 HH22 ARG A 57 3.941 -1.552 15.518 1.00 2.19 H new ATOM 895 N GLN A 58 5.425 -2.525 7.586 1.00 0.36 N ATOM 896 CA GLN A 58 6.747 -3.206 7.644 1.00 0.46 C ATOM 897 C GLN A 58 7.608 -2.716 6.480 1.00 0.42 C ATOM 898 O GLN A 58 8.814 -2.614 6.582 1.00 0.50 O ATOM 899 CB GLN A 58 6.543 -4.718 7.539 1.00 0.56 C ATOM 900 CG GLN A 58 5.657 -5.194 8.692 1.00 1.85 C ATOM 901 CD GLN A 58 6.335 -6.364 9.406 1.00 1.83 C ATOM 902 OE1 GLN A 58 5.785 -7.445 9.487 1.00 2.64 O ATOM 903 NE2 GLN A 58 7.517 -6.193 9.930 1.00 1.56 N ATOM 0 H GLN A 58 4.637 -3.127 7.347 1.00 0.36 H new ATOM 0 HA GLN A 58 7.244 -2.978 8.587 1.00 0.46 H new ATOM 0 HB2 GLN A 58 6.081 -4.968 6.584 1.00 0.56 H new ATOM 0 HB3 GLN A 58 7.505 -5.229 7.571 1.00 0.56 H new ATOM 0 HG2 GLN A 58 5.484 -4.377 9.393 1.00 1.85 H new ATOM 0 HG3 GLN A 58 4.682 -5.501 8.313 1.00 1.85 H new ATOM 0 HE21 GLN A 58 7.979 -5.286 9.862 1.00 1.56 H new ATOM 0 HE22 GLN A 58 7.980 -6.966 10.408 1.00 1.56 H new ATOM 912 N PHE A 59 6.991 -2.402 5.374 1.00 0.34 N ATOM 913 CA PHE A 59 7.758 -1.906 4.200 1.00 0.40 C ATOM 914 C PHE A 59 8.427 -0.576 4.560 1.00 0.42 C ATOM 915 O PHE A 59 9.580 -0.346 4.254 1.00 0.50 O ATOM 916 CB PHE A 59 6.792 -1.696 3.029 1.00 0.35 C ATOM 917 CG PHE A 59 7.550 -1.182 1.830 1.00 0.45 C ATOM 918 CD1 PHE A 59 8.182 -2.084 0.965 1.00 0.85 C ATOM 919 CD2 PHE A 59 7.625 0.195 1.584 1.00 0.40 C ATOM 920 CE1 PHE A 59 8.887 -1.610 -0.146 1.00 1.03 C ATOM 921 CE2 PHE A 59 8.330 0.669 0.471 1.00 0.64 C ATOM 922 CZ PHE A 59 8.963 -0.233 -0.392 1.00 0.89 C ATOM 0 H PHE A 59 5.983 -2.469 5.234 1.00 0.34 H new ATOM 0 HA PHE A 59 8.523 -2.630 3.920 1.00 0.40 H new ATOM 0 HB2 PHE A 59 6.295 -2.634 2.782 1.00 0.35 H new ATOM 0 HB3 PHE A 59 6.013 -0.987 3.310 1.00 0.35 H new ATOM 0 HD1 PHE A 59 8.125 -3.145 1.156 1.00 0.85 H new ATOM 0 HD2 PHE A 59 7.139 0.891 2.252 1.00 0.40 H new ATOM 0 HE1 PHE A 59 9.373 -2.306 -0.814 1.00 1.03 H new ATOM 0 HE2 PHE A 59 8.385 1.730 0.278 1.00 0.64 H new ATOM 0 HZ PHE A 59 9.510 0.133 -1.248 1.00 0.89 H new ATOM 932 N TYR A 60 7.709 0.304 5.202 1.00 0.37 N ATOM 933 CA TYR A 60 8.296 1.622 5.583 1.00 0.39 C ATOM 934 C TYR A 60 8.924 1.548 6.988 1.00 0.54 C ATOM 935 O TYR A 60 9.474 2.507 7.489 1.00 0.71 O ATOM 936 CB TYR A 60 7.183 2.683 5.518 1.00 0.27 C ATOM 937 CG TYR A 60 7.024 3.394 6.844 1.00 0.04 C ATOM 938 CD1 TYR A 60 7.763 4.555 7.110 1.00 0.31 C ATOM 939 CD2 TYR A 60 6.134 2.899 7.802 1.00 0.31 C ATOM 940 CE1 TYR A 60 7.614 5.216 8.333 1.00 0.53 C ATOM 941 CE2 TYR A 60 5.984 3.561 9.026 1.00 0.54 C ATOM 942 CZ TYR A 60 6.724 4.720 9.291 1.00 0.62 C ATOM 943 OH TYR A 60 6.579 5.371 10.496 1.00 0.90 O ATOM 0 H TYR A 60 6.737 0.167 5.481 1.00 0.37 H new ATOM 0 HA TYR A 60 9.094 1.894 4.892 1.00 0.39 H new ATOM 0 HB2 TYR A 60 7.415 3.409 4.739 1.00 0.27 H new ATOM 0 HB3 TYR A 60 6.241 2.209 5.242 1.00 0.27 H new ATOM 0 HD1 TYR A 60 8.448 4.939 6.369 1.00 0.31 H new ATOM 0 HD2 TYR A 60 5.562 2.006 7.598 1.00 0.31 H new ATOM 0 HE1 TYR A 60 8.186 6.109 8.538 1.00 0.53 H new ATOM 0 HE2 TYR A 60 5.297 3.178 9.766 1.00 0.54 H new ATOM 0 HH TYR A 60 5.921 4.897 11.047 1.00 0.90 H new ATOM 953 N SER A 61 8.865 0.417 7.632 1.00 0.55 N ATOM 954 CA SER A 61 9.468 0.319 8.986 1.00 0.69 C ATOM 955 C SER A 61 10.962 -0.013 8.882 1.00 0.55 C ATOM 956 O SER A 61 11.808 0.766 9.273 1.00 0.54 O ATOM 957 CB SER A 61 8.756 -0.781 9.769 1.00 0.83 C ATOM 958 OG SER A 61 9.361 -0.917 11.046 1.00 1.27 O ATOM 0 H SER A 61 8.429 -0.436 7.282 1.00 0.55 H new ATOM 0 HA SER A 61 9.357 1.275 9.498 1.00 0.69 H new ATOM 0 HB2 SER A 61 7.699 -0.539 9.879 1.00 0.83 H new ATOM 0 HB3 SER A 61 8.812 -1.724 9.225 1.00 0.83 H new ATOM 0 HG SER A 61 8.904 -1.622 11.551 1.00 1.27 H new ATOM 964 N HIS A 62 11.289 -1.174 8.384 1.00 0.64 N ATOM 965 CA HIS A 62 12.728 -1.569 8.287 1.00 0.69 C ATOM 966 C HIS A 62 13.330 -1.202 6.919 1.00 0.63 C ATOM 967 O HIS A 62 14.468 -0.781 6.833 1.00 0.59 O ATOM 968 CB HIS A 62 12.850 -3.079 8.499 1.00 1.00 C ATOM 969 CG HIS A 62 13.295 -3.358 9.910 1.00 1.33 C ATOM 970 ND1 HIS A 62 14.559 -3.849 10.204 1.00 1.86 N ATOM 971 CD2 HIS A 62 12.656 -3.221 11.120 1.00 1.61 C ATOM 972 CE1 HIS A 62 14.639 -3.989 11.542 1.00 2.00 C ATOM 973 NE2 HIS A 62 13.506 -3.621 12.147 1.00 1.86 N ATOM 0 H HIS A 62 10.625 -1.867 8.040 1.00 0.64 H new ATOM 0 HA HIS A 62 13.279 -1.026 9.055 1.00 0.69 H new ATOM 0 HB2 HIS A 62 11.892 -3.562 8.307 1.00 1.00 H new ATOM 0 HB3 HIS A 62 13.565 -3.499 7.792 1.00 1.00 H new ATOM 0 HD2 HIS A 62 11.648 -2.858 11.253 1.00 1.61 H new ATOM 0 HE1 HIS A 62 15.512 -4.354 12.062 1.00 2.00 H new ATOM 0 HE2 HIS A 62 13.307 -3.631 13.147 1.00 1.86 H new ATOM 981 N HIS A 63 12.605 -1.401 5.849 1.00 0.69 N ATOM 982 CA HIS A 63 13.174 -1.109 4.493 1.00 0.70 C ATOM 983 C HIS A 63 13.193 0.394 4.179 1.00 0.53 C ATOM 984 O HIS A 63 13.599 0.792 3.106 1.00 0.48 O ATOM 985 CB HIS A 63 12.349 -1.833 3.428 1.00 0.90 C ATOM 986 CG HIS A 63 12.478 -3.318 3.623 1.00 1.52 C ATOM 987 ND1 HIS A 63 13.646 -4.002 3.326 1.00 1.80 N ATOM 988 CD2 HIS A 63 11.599 -4.263 4.093 1.00 2.00 C ATOM 989 CE1 HIS A 63 13.443 -5.298 3.621 1.00 2.36 C ATOM 990 NE2 HIS A 63 12.212 -5.512 4.093 1.00 2.49 N ATOM 0 H HIS A 63 11.647 -1.752 5.852 1.00 0.69 H new ATOM 0 HA HIS A 63 14.205 -1.462 4.489 1.00 0.70 H new ATOM 0 HB2 HIS A 63 11.303 -1.535 3.498 1.00 0.90 H new ATOM 0 HB3 HIS A 63 12.694 -1.554 2.432 1.00 0.90 H new ATOM 0 HD2 HIS A 63 10.587 -4.067 4.414 1.00 2.00 H new ATOM 0 HE1 HIS A 63 14.185 -6.072 3.492 1.00 2.36 H new ATOM 0 HE2 HIS A 63 11.808 -6.400 4.390 1.00 2.49 H new ATOM 998 N GLU A 64 12.782 1.240 5.082 1.00 0.50 N ATOM 999 CA GLU A 64 12.820 2.699 4.772 1.00 0.44 C ATOM 1000 C GLU A 64 14.213 3.262 5.086 1.00 0.33 C ATOM 1001 O GLU A 64 14.522 4.388 4.749 1.00 0.41 O ATOM 1002 CB GLU A 64 11.766 3.434 5.603 1.00 0.59 C ATOM 1003 CG GLU A 64 12.441 4.223 6.729 1.00 0.83 C ATOM 1004 CD GLU A 64 11.378 4.748 7.696 1.00 1.28 C ATOM 1005 OE1 GLU A 64 11.062 4.038 8.637 1.00 2.36 O ATOM 1006 OE2 GLU A 64 10.901 5.849 7.482 1.00 1.23 O ATOM 0 H GLU A 64 12.427 0.992 6.006 1.00 0.50 H new ATOM 0 HA GLU A 64 12.606 2.844 3.713 1.00 0.44 H new ATOM 0 HB2 GLU A 64 11.196 4.110 4.966 1.00 0.59 H new ATOM 0 HB3 GLU A 64 11.059 2.719 6.023 1.00 0.59 H new ATOM 0 HG2 GLU A 64 13.148 3.586 7.260 1.00 0.83 H new ATOM 0 HG3 GLU A 64 13.011 5.054 6.313 1.00 0.83 H new ATOM 1013 N LYS A 65 15.057 2.498 5.739 1.00 0.31 N ATOM 1014 CA LYS A 65 16.414 3.012 6.077 1.00 0.32 C ATOM 1015 C LYS A 65 17.460 1.914 5.851 1.00 0.46 C ATOM 1016 O LYS A 65 18.217 1.576 6.741 1.00 0.77 O ATOM 1017 CB LYS A 65 16.431 3.437 7.545 1.00 0.48 C ATOM 1018 CG LYS A 65 17.622 4.358 7.802 1.00 0.59 C ATOM 1019 CD LYS A 65 18.414 3.829 8.995 1.00 1.29 C ATOM 1020 CE LYS A 65 19.636 4.714 9.229 1.00 1.44 C ATOM 1021 NZ LYS A 65 19.565 5.294 10.598 1.00 1.75 N ATOM 0 H LYS A 65 14.862 1.546 6.049 1.00 0.31 H new ATOM 0 HA LYS A 65 16.651 3.864 5.439 1.00 0.32 H new ATOM 0 HB2 LYS A 65 15.502 3.950 7.796 1.00 0.48 H new ATOM 0 HB3 LYS A 65 16.494 2.558 8.187 1.00 0.48 H new ATOM 0 HG2 LYS A 65 18.259 4.405 6.919 1.00 0.59 H new ATOM 0 HG3 LYS A 65 17.277 5.373 8.000 1.00 0.59 H new ATOM 0 HD2 LYS A 65 17.785 3.816 9.885 1.00 1.29 H new ATOM 0 HD3 LYS A 65 18.726 2.801 8.811 1.00 1.29 H new ATOM 0 HE2 LYS A 65 20.550 4.131 9.115 1.00 1.44 H new ATOM 0 HE3 LYS A 65 19.671 5.510 8.485 1.00 1.44 H new ATOM 0 HZ1 LYS A 65 20.395 5.898 10.763 1.00 1.75 H new ATOM 0 HZ2 LYS A 65 18.699 5.863 10.689 1.00 1.75 H new ATOM 0 HZ3 LYS A 65 19.550 4.527 11.300 1.00 1.75 H new ATOM 1035 N ASP A 66 17.516 1.358 4.670 1.00 0.38 N ATOM 1036 CA ASP A 66 18.525 0.291 4.401 1.00 0.59 C ATOM 1037 C ASP A 66 19.207 0.556 3.054 1.00 0.36 C ATOM 1038 O ASP A 66 18.763 1.370 2.268 1.00 0.35 O ATOM 1039 CB ASP A 66 17.838 -1.079 4.364 1.00 0.93 C ATOM 1040 CG ASP A 66 17.912 -1.730 5.746 1.00 1.58 C ATOM 1041 OD1 ASP A 66 17.839 -1.007 6.727 1.00 2.15 O ATOM 1042 OD2 ASP A 66 18.041 -2.943 5.803 1.00 1.75 O ATOM 0 H ASP A 66 16.911 1.594 3.884 1.00 0.38 H new ATOM 0 HA ASP A 66 19.271 0.298 5.195 1.00 0.59 H new ATOM 0 HB2 ASP A 66 16.797 -0.967 4.059 1.00 0.93 H new ATOM 0 HB3 ASP A 66 18.319 -1.718 3.624 1.00 0.93 H new ATOM 1047 N THR A 67 20.282 -0.135 2.786 1.00 0.29 N ATOM 1048 CA THR A 67 21.007 0.053 1.493 1.00 0.40 C ATOM 1049 C THR A 67 20.310 -0.739 0.380 1.00 0.55 C ATOM 1050 O THR A 67 20.580 -0.540 -0.788 1.00 0.72 O ATOM 1051 CB THR A 67 22.442 -0.455 1.641 1.00 0.55 C ATOM 1052 OG1 THR A 67 22.924 -0.134 2.936 1.00 0.72 O ATOM 1053 CG2 THR A 67 23.331 0.203 0.584 1.00 1.38 C ATOM 0 H THR A 67 20.693 -0.828 3.412 1.00 0.29 H new ATOM 0 HA THR A 67 21.009 1.112 1.236 1.00 0.40 H new ATOM 0 HB THR A 67 22.461 -1.536 1.504 1.00 0.55 H new ATOM 0 HG1 THR A 67 23.843 -0.460 3.033 1.00 0.72 H new ATOM 0 HG21 THR A 67 24.353 -0.160 0.691 1.00 1.38 H new ATOM 0 HG22 THR A 67 22.960 -0.046 -0.410 1.00 1.38 H new ATOM 0 HG23 THR A 67 23.315 1.285 0.717 1.00 1.38 H new ATOM 1061 N ARG A 68 19.428 -1.644 0.731 1.00 0.62 N ATOM 1062 CA ARG A 68 18.729 -2.451 -0.307 1.00 0.90 C ATOM 1063 C ARG A 68 18.113 -1.534 -1.369 1.00 0.69 C ATOM 1064 O ARG A 68 18.483 -1.575 -2.524 1.00 0.72 O ATOM 1065 CB ARG A 68 17.623 -3.275 0.358 1.00 1.13 C ATOM 1066 CG ARG A 68 17.925 -4.767 0.201 1.00 1.41 C ATOM 1067 CD ARG A 68 19.143 -5.135 1.048 1.00 1.07 C ATOM 1068 NE ARG A 68 19.618 -6.505 0.663 1.00 0.82 N ATOM 1069 CZ ARG A 68 18.841 -7.555 0.749 1.00 1.17 C ATOM 1070 NH1 ARG A 68 17.708 -7.507 1.407 1.00 2.13 N ATOM 1071 NH2 ARG A 68 19.235 -8.687 0.234 1.00 1.60 N ATOM 0 H ARG A 68 19.165 -1.856 1.693 1.00 0.62 H new ATOM 0 HA ARG A 68 19.449 -3.113 -0.789 1.00 0.90 H new ATOM 0 HB2 ARG A 68 17.551 -3.018 1.415 1.00 1.13 H new ATOM 0 HB3 ARG A 68 16.659 -3.040 -0.094 1.00 1.13 H new ATOM 0 HG2 ARG A 68 17.063 -5.357 0.510 1.00 1.41 H new ATOM 0 HG3 ARG A 68 18.113 -5.002 -0.847 1.00 1.41 H new ATOM 0 HD2 ARG A 68 19.939 -4.406 0.897 1.00 1.07 H new ATOM 0 HD3 ARG A 68 18.885 -5.111 2.107 1.00 1.07 H new ATOM 0 HE ARG A 68 20.573 -6.622 0.325 1.00 0.82 H new ATOM 0 HH11 ARG A 68 17.419 -6.641 1.863 1.00 2.13 H new ATOM 0 HH12 ARG A 68 17.115 -8.335 1.463 1.00 2.13 H new ATOM 0 HH21 ARG A 68 20.141 -8.748 -0.230 1.00 1.60 H new ATOM 0 HH22 ARG A 68 18.637 -9.511 0.296 1.00 1.60 H new ATOM 1085 N CYS A 69 17.165 -0.715 -0.996 1.00 0.53 N ATOM 1086 CA CYS A 69 16.525 0.183 -2.008 1.00 0.38 C ATOM 1087 C CYS A 69 17.253 1.528 -2.094 1.00 0.35 C ATOM 1088 O CYS A 69 17.156 2.226 -3.084 1.00 0.33 O ATOM 1089 CB CYS A 69 15.059 0.438 -1.637 1.00 0.56 C ATOM 1090 SG CYS A 69 14.292 1.443 -2.938 1.00 0.78 S ATOM 0 H CYS A 69 16.807 -0.627 -0.045 1.00 0.53 H new ATOM 0 HA CYS A 69 16.585 -0.316 -2.975 1.00 0.38 H new ATOM 0 HB2 CYS A 69 14.528 -0.507 -1.528 1.00 0.56 H new ATOM 0 HB3 CYS A 69 14.996 0.951 -0.678 1.00 0.56 H new ATOM 1095 N LEU A 70 17.961 1.912 -1.068 1.00 0.56 N ATOM 1096 CA LEU A 70 18.669 3.227 -1.104 1.00 0.61 C ATOM 1097 C LEU A 70 19.556 3.311 -2.355 1.00 0.54 C ATOM 1098 O LEU A 70 19.305 4.106 -3.239 1.00 0.47 O ATOM 1099 CB LEU A 70 19.507 3.385 0.170 1.00 0.83 C ATOM 1100 CG LEU A 70 20.673 4.348 -0.067 1.00 1.33 C ATOM 1101 CD1 LEU A 70 20.152 5.667 -0.646 1.00 2.35 C ATOM 1102 CD2 LEU A 70 21.373 4.629 1.264 1.00 2.55 C ATOM 0 H LEU A 70 18.081 1.376 -0.208 1.00 0.56 H new ATOM 0 HA LEU A 70 17.940 4.036 -1.149 1.00 0.61 H new ATOM 0 HB2 LEU A 70 18.880 3.757 0.980 1.00 0.83 H new ATOM 0 HB3 LEU A 70 19.889 2.413 0.483 1.00 0.83 H new ATOM 0 HG LEU A 70 21.373 3.896 -0.770 1.00 1.33 H new ATOM 0 HD11 LEU A 70 20.988 6.347 -0.812 1.00 2.35 H new ATOM 0 HD12 LEU A 70 19.647 5.475 -1.593 1.00 2.35 H new ATOM 0 HD13 LEU A 70 19.450 6.119 0.054 1.00 2.35 H new ATOM 0 HD21 LEU A 70 22.204 5.315 1.100 1.00 2.55 H new ATOM 0 HD22 LEU A 70 20.664 5.078 1.960 1.00 2.55 H new ATOM 0 HD23 LEU A 70 21.750 3.695 1.681 1.00 2.55 H new ATOM 1114 N GLY A 71 20.583 2.511 -2.446 1.00 0.61 N ATOM 1115 CA GLY A 71 21.460 2.573 -3.653 1.00 0.58 C ATOM 1116 C GLY A 71 22.874 2.987 -3.244 1.00 0.88 C ATOM 1117 O GLY A 71 23.418 2.500 -2.273 1.00 1.16 O ATOM 0 H GLY A 71 20.853 1.822 -1.744 1.00 0.61 H new ATOM 0 HA2 GLY A 71 21.484 1.602 -4.147 1.00 0.58 H new ATOM 0 HA3 GLY A 71 21.056 3.286 -4.372 1.00 0.58 H new ATOM 1121 N ALA A 72 23.479 3.880 -3.979 1.00 0.88 N ATOM 1122 CA ALA A 72 24.861 4.314 -3.625 1.00 1.18 C ATOM 1123 C ALA A 72 25.148 5.695 -4.218 1.00 1.17 C ATOM 1124 O ALA A 72 26.284 6.047 -4.464 1.00 1.42 O ATOM 1125 CB ALA A 72 25.865 3.305 -4.182 1.00 1.46 C ATOM 0 H ALA A 72 23.079 4.326 -4.805 1.00 0.88 H new ATOM 0 HA ALA A 72 24.951 4.367 -2.540 1.00 1.18 H new ATOM 0 HB1 ALA A 72 26.877 3.619 -3.925 1.00 1.46 H new ATOM 0 HB2 ALA A 72 25.670 2.322 -3.752 1.00 1.46 H new ATOM 0 HB3 ALA A 72 25.765 3.253 -5.266 1.00 1.46 H new ATOM 1131 N THR A 73 24.133 6.483 -4.446 1.00 0.96 N ATOM 1132 CA THR A 73 24.362 7.841 -5.019 1.00 0.98 C ATOM 1133 C THR A 73 23.463 8.854 -4.308 1.00 0.73 C ATOM 1134 O THR A 73 22.501 8.496 -3.658 1.00 0.54 O ATOM 1135 CB THR A 73 24.043 7.831 -6.518 1.00 0.99 C ATOM 1136 OG1 THR A 73 23.462 9.074 -6.886 1.00 1.65 O ATOM 1137 CG2 THR A 73 23.064 6.699 -6.826 1.00 1.52 C ATOM 0 H THR A 73 23.158 6.247 -4.261 1.00 0.96 H new ATOM 0 HA THR A 73 25.406 8.121 -4.877 1.00 0.98 H new ATOM 0 HB THR A 73 24.962 7.677 -7.083 1.00 0.99 H new ATOM 0 HG1 THR A 73 23.259 9.069 -7.845 1.00 1.65 H new ATOM 0 HG21 THR A 73 22.838 6.693 -7.892 1.00 1.52 H new ATOM 0 HG22 THR A 73 23.510 5.745 -6.544 1.00 1.52 H new ATOM 0 HG23 THR A 73 22.144 6.850 -6.261 1.00 1.52 H new ATOM 1145 N ALA A 74 23.774 10.115 -4.424 1.00 0.79 N ATOM 1146 CA ALA A 74 22.946 11.157 -3.753 1.00 0.60 C ATOM 1147 C ALA A 74 21.608 11.300 -4.483 1.00 0.43 C ATOM 1148 O ALA A 74 20.581 11.533 -3.875 1.00 0.37 O ATOM 1149 CB ALA A 74 23.691 12.493 -3.791 1.00 0.61 C ATOM 0 H ALA A 74 24.568 10.470 -4.956 1.00 0.79 H new ATOM 0 HA ALA A 74 22.763 10.866 -2.719 1.00 0.60 H new ATOM 0 HB1 ALA A 74 23.090 13.259 -3.301 1.00 0.61 H new ATOM 0 HB2 ALA A 74 24.644 12.393 -3.272 1.00 0.61 H new ATOM 0 HB3 ALA A 74 23.871 12.780 -4.827 1.00 0.61 H new ATOM 1155 N GLN A 75 21.613 11.168 -5.781 1.00 0.54 N ATOM 1156 CA GLN A 75 20.343 11.301 -6.553 1.00 0.61 C ATOM 1157 C GLN A 75 19.315 10.282 -6.040 1.00 0.55 C ATOM 1158 O GLN A 75 18.209 10.633 -5.682 1.00 0.52 O ATOM 1159 CB GLN A 75 20.621 11.048 -8.041 1.00 0.94 C ATOM 1160 CG GLN A 75 21.177 12.324 -8.685 1.00 0.98 C ATOM 1161 CD GLN A 75 20.167 12.872 -9.699 1.00 0.16 C ATOM 1162 OE1 GLN A 75 18.979 12.858 -9.456 1.00 1.30 O ATOM 1163 NE2 GLN A 75 20.598 13.363 -10.830 1.00 0.66 N ATOM 0 H GLN A 75 22.442 10.974 -6.342 1.00 0.54 H new ATOM 0 HA GLN A 75 19.945 12.307 -6.423 1.00 0.61 H new ATOM 0 HB2 GLN A 75 21.334 10.231 -8.154 1.00 0.94 H new ATOM 0 HB3 GLN A 75 19.704 10.744 -8.546 1.00 0.94 H new ATOM 0 HG2 GLN A 75 21.379 13.072 -7.918 1.00 0.98 H new ATOM 0 HG3 GLN A 75 22.124 12.110 -9.180 1.00 0.98 H new ATOM 0 HE21 GLN A 75 21.597 13.374 -11.033 1.00 0.66 H new ATOM 0 HE22 GLN A 75 19.935 13.735 -11.510 1.00 0.66 H new ATOM 1172 N GLN A 76 19.671 9.024 -6.003 1.00 0.54 N ATOM 1173 CA GLN A 76 18.712 7.986 -5.516 1.00 0.49 C ATOM 1174 C GLN A 76 18.427 8.190 -4.022 1.00 0.55 C ATOM 1175 O GLN A 76 17.404 7.771 -3.517 1.00 0.58 O ATOM 1176 CB GLN A 76 19.313 6.594 -5.731 1.00 0.46 C ATOM 1177 CG GLN A 76 18.195 5.590 -6.024 1.00 1.02 C ATOM 1178 CD GLN A 76 17.760 5.720 -7.485 1.00 0.80 C ATOM 1179 OE1 GLN A 76 18.582 5.889 -8.363 1.00 1.16 O ATOM 1180 NE2 GLN A 76 16.491 5.646 -7.785 1.00 1.93 N ATOM 0 H GLN A 76 20.584 8.670 -6.289 1.00 0.54 H new ATOM 0 HA GLN A 76 17.780 8.076 -6.074 1.00 0.49 H new ATOM 0 HB2 GLN A 76 20.021 6.617 -6.559 1.00 0.46 H new ATOM 0 HB3 GLN A 76 19.869 6.286 -4.845 1.00 0.46 H new ATOM 0 HG2 GLN A 76 18.542 4.576 -5.826 1.00 1.02 H new ATOM 0 HG3 GLN A 76 17.347 5.771 -5.364 1.00 1.02 H new ATOM 0 HE21 GLN A 76 15.800 5.504 -7.048 1.00 1.93 H new ATOM 0 HE22 GLN A 76 16.191 5.730 -8.756 1.00 1.93 H new ATOM 1189 N PHE A 77 19.319 8.824 -3.308 1.00 0.56 N ATOM 1190 CA PHE A 77 19.091 9.043 -1.849 1.00 0.63 C ATOM 1191 C PHE A 77 17.784 9.812 -1.641 1.00 0.69 C ATOM 1192 O PHE A 77 16.925 9.403 -0.886 1.00 0.85 O ATOM 1193 CB PHE A 77 20.253 9.858 -1.270 1.00 0.47 C ATOM 1194 CG PHE A 77 20.579 9.373 0.124 1.00 0.67 C ATOM 1195 CD1 PHE A 77 19.549 9.020 1.004 1.00 1.00 C ATOM 1196 CD2 PHE A 77 21.914 9.284 0.537 1.00 1.37 C ATOM 1197 CE1 PHE A 77 19.854 8.577 2.297 1.00 1.13 C ATOM 1198 CE2 PHE A 77 22.219 8.843 1.830 1.00 1.54 C ATOM 1199 CZ PHE A 77 21.190 8.490 2.710 1.00 1.09 C ATOM 0 H PHE A 77 20.195 9.200 -3.671 1.00 0.56 H new ATOM 0 HA PHE A 77 19.029 8.079 -1.345 1.00 0.63 H new ATOM 0 HB2 PHE A 77 21.129 9.764 -1.911 1.00 0.47 H new ATOM 0 HB3 PHE A 77 19.989 10.915 -1.244 1.00 0.47 H new ATOM 0 HD1 PHE A 77 18.519 9.089 0.686 1.00 1.00 H new ATOM 0 HD2 PHE A 77 22.709 9.556 -0.142 1.00 1.37 H new ATOM 0 HE1 PHE A 77 19.060 8.303 2.975 1.00 1.13 H new ATOM 0 HE2 PHE A 77 23.249 8.775 2.148 1.00 1.54 H new ATOM 0 HZ PHE A 77 21.426 8.150 3.708 1.00 1.09 H new ATOM 1209 N HIS A 78 17.632 10.926 -2.300 1.00 0.60 N ATOM 1210 CA HIS A 78 16.387 11.729 -2.138 1.00 0.74 C ATOM 1211 C HIS A 78 15.225 11.028 -2.848 1.00 0.74 C ATOM 1212 O HIS A 78 14.096 11.066 -2.402 1.00 0.84 O ATOM 1213 CB HIS A 78 16.606 13.112 -2.752 1.00 0.75 C ATOM 1214 CG HIS A 78 15.352 13.930 -2.621 1.00 0.87 C ATOM 1215 ND1 HIS A 78 15.120 14.756 -1.532 1.00 1.98 N ATOM 1216 CD2 HIS A 78 14.254 14.065 -3.436 1.00 1.88 C ATOM 1217 CE1 HIS A 78 13.925 15.348 -1.720 1.00 1.53 C ATOM 1218 NE2 HIS A 78 13.357 14.963 -2.864 1.00 1.52 N ATOM 0 H HIS A 78 18.318 11.317 -2.946 1.00 0.60 H new ATOM 0 HA HIS A 78 16.148 11.829 -1.079 1.00 0.74 H new ATOM 0 HB2 HIS A 78 17.434 13.615 -2.252 1.00 0.75 H new ATOM 0 HB3 HIS A 78 16.880 13.015 -3.803 1.00 0.75 H new ATOM 0 HD1 HIS A 78 15.741 14.891 -0.734 1.00 1.98 H new ATOM 0 HD2 HIS A 78 14.109 13.553 -4.376 1.00 1.88 H new ATOM 0 HE1 HIS A 78 13.481 16.049 -1.029 1.00 1.53 H new ATOM 1226 N ARG A 79 15.497 10.392 -3.951 1.00 0.72 N ATOM 1227 CA ARG A 79 14.418 9.686 -4.701 1.00 0.85 C ATOM 1228 C ARG A 79 13.683 8.717 -3.770 1.00 0.69 C ATOM 1229 O ARG A 79 12.492 8.511 -3.888 1.00 0.68 O ATOM 1230 CB ARG A 79 15.052 8.911 -5.856 1.00 1.11 C ATOM 1231 CG ARG A 79 14.181 9.042 -7.104 1.00 1.26 C ATOM 1232 CD ARG A 79 14.945 9.818 -8.177 1.00 1.46 C ATOM 1233 NE ARG A 79 14.701 11.279 -7.994 1.00 1.43 N ATOM 1234 CZ ARG A 79 15.406 12.171 -8.652 1.00 2.36 C ATOM 1235 NH1 ARG A 79 16.334 11.810 -9.504 1.00 3.12 N ATOM 1236 NH2 ARG A 79 15.175 13.438 -8.457 1.00 3.03 N ATOM 0 H ARG A 79 16.425 10.329 -4.370 1.00 0.72 H new ATOM 0 HA ARG A 79 13.702 10.411 -5.087 1.00 0.85 H new ATOM 0 HB2 ARG A 79 16.053 9.294 -6.057 1.00 1.11 H new ATOM 0 HB3 ARG A 79 15.161 7.861 -5.585 1.00 1.11 H new ATOM 0 HG2 ARG A 79 13.910 8.054 -7.477 1.00 1.26 H new ATOM 0 HG3 ARG A 79 13.252 9.556 -6.860 1.00 1.26 H new ATOM 0 HD2 ARG A 79 16.011 9.604 -8.107 1.00 1.46 H new ATOM 0 HD3 ARG A 79 14.621 9.505 -9.169 1.00 1.46 H new ATOM 0 HE ARG A 79 13.975 11.590 -7.348 1.00 1.43 H new ATOM 0 HH11 ARG A 79 16.520 10.820 -9.666 1.00 3.12 H new ATOM 0 HH12 ARG A 79 16.870 12.519 -10.005 1.00 3.12 H new ATOM 0 HH21 ARG A 79 14.452 13.729 -7.799 1.00 3.03 H new ATOM 0 HH22 ARG A 79 15.717 14.139 -8.963 1.00 3.03 H new ATOM 1250 N HIS A 80 14.383 8.121 -2.848 1.00 0.65 N ATOM 1251 CA HIS A 80 13.731 7.162 -1.910 1.00 0.58 C ATOM 1252 C HIS A 80 13.228 7.922 -0.676 1.00 0.50 C ATOM 1253 O HIS A 80 12.244 7.554 -0.065 1.00 0.38 O ATOM 1254 CB HIS A 80 14.765 6.102 -1.505 1.00 0.91 C ATOM 1255 CG HIS A 80 14.252 5.261 -0.367 1.00 0.72 C ATOM 1256 ND1 HIS A 80 13.149 4.428 -0.495 1.00 0.83 N ATOM 1257 CD2 HIS A 80 14.709 5.084 0.917 1.00 0.95 C ATOM 1258 CE1 HIS A 80 12.984 3.793 0.682 1.00 0.79 C ATOM 1259 NE2 HIS A 80 13.907 4.157 1.576 1.00 1.08 N ATOM 0 H HIS A 80 15.383 8.256 -2.701 1.00 0.65 H new ATOM 0 HA HIS A 80 12.880 6.675 -2.387 1.00 0.58 H new ATOM 0 HB2 HIS A 80 14.993 5.465 -2.360 1.00 0.91 H new ATOM 0 HB3 HIS A 80 15.696 6.588 -1.213 1.00 0.91 H new ATOM 0 HD1 HIS A 80 12.570 4.317 -1.327 1.00 0.83 H new ATOM 0 HD2 HIS A 80 15.561 5.588 1.349 1.00 0.95 H new ATOM 0 HE1 HIS A 80 12.200 3.076 0.879 1.00 0.79 H new ATOM 1267 N LYS A 81 13.895 8.991 -0.313 1.00 0.63 N ATOM 1268 CA LYS A 81 13.467 9.789 0.877 1.00 0.69 C ATOM 1269 C LYS A 81 12.000 10.215 0.732 1.00 0.62 C ATOM 1270 O LYS A 81 11.304 10.411 1.709 1.00 0.70 O ATOM 1271 CB LYS A 81 14.348 11.038 0.982 1.00 0.84 C ATOM 1272 CG LYS A 81 14.641 11.346 2.453 1.00 0.93 C ATOM 1273 CD LYS A 81 15.607 12.533 2.539 1.00 1.30 C ATOM 1274 CE LYS A 81 16.765 12.195 3.482 1.00 1.96 C ATOM 1275 NZ LYS A 81 17.766 13.301 3.457 1.00 2.60 N ATOM 0 H LYS A 81 14.722 9.346 -0.793 1.00 0.63 H new ATOM 0 HA LYS A 81 13.570 9.179 1.774 1.00 0.69 H new ATOM 0 HB2 LYS A 81 15.281 10.882 0.441 1.00 0.84 H new ATOM 0 HB3 LYS A 81 13.848 11.887 0.516 1.00 0.84 H new ATOM 0 HG2 LYS A 81 13.715 11.577 2.980 1.00 0.93 H new ATOM 0 HG3 LYS A 81 15.075 10.473 2.940 1.00 0.93 H new ATOM 0 HD2 LYS A 81 15.992 12.772 1.548 1.00 1.30 H new ATOM 0 HD3 LYS A 81 15.080 13.417 2.898 1.00 1.30 H new ATOM 0 HE2 LYS A 81 16.392 12.051 4.496 1.00 1.96 H new ATOM 0 HE3 LYS A 81 17.234 11.259 3.179 1.00 1.96 H new ATOM 0 HZ1 LYS A 81 18.553 13.072 4.097 1.00 2.60 H new ATOM 0 HZ2 LYS A 81 18.130 13.418 2.490 1.00 2.60 H new ATOM 0 HZ3 LYS A 81 17.314 14.185 3.766 1.00 2.60 H new ATOM 1289 N GLN A 82 11.526 10.364 -0.476 1.00 0.55 N ATOM 1290 CA GLN A 82 10.106 10.783 -0.675 1.00 0.55 C ATOM 1291 C GLN A 82 9.196 9.556 -0.621 1.00 0.50 C ATOM 1292 O GLN A 82 8.130 9.592 -0.039 1.00 0.72 O ATOM 1293 CB GLN A 82 9.958 11.450 -2.043 1.00 0.47 C ATOM 1294 CG GLN A 82 10.203 12.952 -1.911 1.00 0.80 C ATOM 1295 CD GLN A 82 10.493 13.535 -3.294 1.00 1.44 C ATOM 1296 OE1 GLN A 82 11.260 12.977 -4.051 1.00 2.46 O ATOM 1297 NE2 GLN A 82 9.906 14.640 -3.659 1.00 1.49 N ATOM 0 H GLN A 82 12.059 10.214 -1.333 1.00 0.55 H new ATOM 0 HA GLN A 82 9.826 11.484 0.111 1.00 0.55 H new ATOM 0 HB2 GLN A 82 10.667 11.017 -2.749 1.00 0.47 H new ATOM 0 HB3 GLN A 82 8.960 11.268 -2.441 1.00 0.47 H new ATOM 0 HG2 GLN A 82 9.331 13.438 -1.473 1.00 0.80 H new ATOM 0 HG3 GLN A 82 11.042 13.139 -1.241 1.00 0.80 H new ATOM 0 HE21 GLN A 82 9.261 15.109 -3.023 1.00 1.49 H new ATOM 0 HE22 GLN A 82 10.091 15.036 -4.581 1.00 1.49 H new ATOM 1306 N LEU A 83 9.614 8.476 -1.230 1.00 0.27 N ATOM 1307 CA LEU A 83 8.784 7.233 -1.225 1.00 0.23 C ATOM 1308 C LEU A 83 8.367 6.906 0.210 1.00 0.20 C ATOM 1309 O LEU A 83 7.298 6.381 0.456 1.00 0.29 O ATOM 1310 CB LEU A 83 9.617 6.071 -1.781 1.00 0.28 C ATOM 1311 CG LEU A 83 8.697 5.007 -2.389 1.00 0.56 C ATOM 1312 CD1 LEU A 83 9.362 4.411 -3.634 1.00 0.82 C ATOM 1313 CD2 LEU A 83 8.456 3.891 -1.370 1.00 1.03 C ATOM 0 H LEU A 83 10.498 8.401 -1.733 1.00 0.27 H new ATOM 0 HA LEU A 83 7.897 7.383 -1.840 1.00 0.23 H new ATOM 0 HB2 LEU A 83 10.310 6.439 -2.538 1.00 0.28 H new ATOM 0 HB3 LEU A 83 10.218 5.631 -0.985 1.00 0.28 H new ATOM 0 HG LEU A 83 7.746 5.466 -2.660 1.00 0.56 H new ATOM 0 HD11 LEU A 83 8.709 3.654 -4.068 1.00 0.82 H new ATOM 0 HD12 LEU A 83 9.539 5.200 -4.365 1.00 0.82 H new ATOM 0 HD13 LEU A 83 10.312 3.955 -3.356 1.00 0.82 H new ATOM 0 HD21 LEU A 83 7.801 3.136 -1.805 1.00 1.03 H new ATOM 0 HD22 LEU A 83 9.408 3.434 -1.099 1.00 1.03 H new ATOM 0 HD23 LEU A 83 7.987 4.307 -0.479 1.00 1.03 H new ATOM 1325 N ILE A 84 9.211 7.209 1.157 1.00 0.13 N ATOM 1326 CA ILE A 84 8.878 6.909 2.578 1.00 0.13 C ATOM 1327 C ILE A 84 7.696 7.764 3.047 1.00 0.14 C ATOM 1328 O ILE A 84 6.747 7.261 3.620 1.00 0.22 O ATOM 1329 CB ILE A 84 10.095 7.193 3.463 1.00 0.17 C ATOM 1330 CG1 ILE A 84 11.318 6.484 2.884 1.00 0.20 C ATOM 1331 CG2 ILE A 84 9.831 6.650 4.863 1.00 0.14 C ATOM 1332 CD1 ILE A 84 10.956 5.029 2.595 1.00 0.23 C ATOM 0 H ILE A 84 10.118 7.652 1.008 1.00 0.13 H new ATOM 0 HA ILE A 84 8.603 5.857 2.656 1.00 0.13 H new ATOM 0 HB ILE A 84 10.274 8.267 3.504 1.00 0.17 H new ATOM 0 HG12 ILE A 84 11.643 6.980 1.970 1.00 0.20 H new ATOM 0 HG13 ILE A 84 12.150 6.533 3.587 1.00 0.20 H new ATOM 0 HG21 ILE A 84 10.694 6.849 5.499 1.00 0.14 H new ATOM 0 HG22 ILE A 84 8.951 7.138 5.282 1.00 0.14 H new ATOM 0 HG23 ILE A 84 9.659 5.575 4.810 1.00 0.14 H new ATOM 0 HD11 ILE A 84 11.823 4.514 2.181 1.00 0.23 H new ATOM 0 HD12 ILE A 84 10.650 4.540 3.520 1.00 0.23 H new ATOM 0 HD13 ILE A 84 10.136 4.994 1.878 1.00 0.23 H new ATOM 1344 N ARG A 85 7.744 9.048 2.826 1.00 0.24 N ATOM 1345 CA ARG A 85 6.621 9.920 3.283 1.00 0.25 C ATOM 1346 C ARG A 85 5.305 9.446 2.662 1.00 0.20 C ATOM 1347 O ARG A 85 4.262 9.493 3.286 1.00 0.16 O ATOM 1348 CB ARG A 85 6.891 11.371 2.873 1.00 0.32 C ATOM 1349 CG ARG A 85 7.041 12.247 4.124 1.00 0.68 C ATOM 1350 CD ARG A 85 8.473 12.777 4.211 1.00 1.23 C ATOM 1351 NE ARG A 85 9.262 11.912 5.135 1.00 2.81 N ATOM 1352 CZ ARG A 85 10.571 12.004 5.194 1.00 3.92 C ATOM 1353 NH1 ARG A 85 11.224 12.874 4.462 1.00 3.57 N ATOM 1354 NH2 ARG A 85 11.231 11.224 6.001 1.00 5.45 N ATOM 0 H ARG A 85 8.507 9.531 2.352 1.00 0.24 H new ATOM 0 HA ARG A 85 6.545 9.861 4.369 1.00 0.25 H new ATOM 0 HB2 ARG A 85 7.797 11.425 2.270 1.00 0.32 H new ATOM 0 HB3 ARG A 85 6.074 11.742 2.255 1.00 0.32 H new ATOM 0 HG2 ARG A 85 6.337 13.078 4.085 1.00 0.68 H new ATOM 0 HG3 ARG A 85 6.802 11.668 5.016 1.00 0.68 H new ATOM 0 HD2 ARG A 85 8.931 12.785 3.222 1.00 1.23 H new ATOM 0 HD3 ARG A 85 8.471 13.806 4.570 1.00 1.23 H new ATOM 0 HE ARG A 85 8.778 11.239 5.730 1.00 2.81 H new ATOM 0 HH11 ARG A 85 10.715 13.495 3.833 1.00 3.57 H new ATOM 0 HH12 ARG A 85 12.241 12.930 4.522 1.00 3.57 H new ATOM 0 HH21 ARG A 85 10.731 10.549 6.580 1.00 5.45 H new ATOM 0 HH22 ARG A 85 12.248 11.288 6.054 1.00 5.45 H new ATOM 1368 N PHE A 86 5.335 8.998 1.440 1.00 0.29 N ATOM 1369 CA PHE A 86 4.076 8.536 0.797 1.00 0.30 C ATOM 1370 C PHE A 86 3.581 7.266 1.488 1.00 0.31 C ATOM 1371 O PHE A 86 2.397 7.013 1.564 1.00 0.37 O ATOM 1372 CB PHE A 86 4.333 8.239 -0.682 1.00 0.29 C ATOM 1373 CG PHE A 86 3.613 9.246 -1.546 1.00 0.18 C ATOM 1374 CD1 PHE A 86 2.268 9.548 -1.302 1.00 0.77 C ATOM 1375 CD2 PHE A 86 4.291 9.874 -2.595 1.00 0.74 C ATOM 1376 CE1 PHE A 86 1.601 10.478 -2.106 1.00 0.78 C ATOM 1377 CE2 PHE A 86 3.625 10.804 -3.400 1.00 0.72 C ATOM 1378 CZ PHE A 86 2.280 11.108 -3.155 1.00 0.16 C ATOM 0 H PHE A 86 6.172 8.932 0.861 1.00 0.29 H new ATOM 0 HA PHE A 86 3.321 9.317 0.887 1.00 0.30 H new ATOM 0 HB2 PHE A 86 5.403 8.272 -0.887 1.00 0.29 H new ATOM 0 HB3 PHE A 86 3.993 7.232 -0.923 1.00 0.29 H new ATOM 0 HD1 PHE A 86 1.745 9.062 -0.492 1.00 0.77 H new ATOM 0 HD2 PHE A 86 5.329 9.641 -2.784 1.00 0.74 H new ATOM 0 HE1 PHE A 86 0.563 10.710 -1.917 1.00 0.78 H new ATOM 0 HE2 PHE A 86 4.148 11.288 -4.211 1.00 0.72 H new ATOM 0 HZ PHE A 86 1.767 11.828 -3.775 1.00 0.16 H new ATOM 1388 N LEU A 87 4.475 6.458 1.982 1.00 0.35 N ATOM 1389 CA LEU A 87 4.046 5.200 2.654 1.00 0.35 C ATOM 1390 C LEU A 87 3.256 5.521 3.929 1.00 0.31 C ATOM 1391 O LEU A 87 2.226 4.935 4.187 1.00 0.30 O ATOM 1392 CB LEU A 87 5.280 4.370 3.011 1.00 0.51 C ATOM 1393 CG LEU A 87 4.950 2.885 2.861 1.00 0.69 C ATOM 1394 CD1 LEU A 87 3.653 2.579 3.612 1.00 1.93 C ATOM 1395 CD2 LEU A 87 4.773 2.549 1.378 1.00 1.05 C ATOM 0 H LEU A 87 5.483 6.613 1.950 1.00 0.35 H new ATOM 0 HA LEU A 87 3.406 4.635 1.976 1.00 0.35 H new ATOM 0 HB2 LEU A 87 6.113 4.637 2.360 1.00 0.51 H new ATOM 0 HB3 LEU A 87 5.593 4.583 4.033 1.00 0.51 H new ATOM 0 HG LEU A 87 5.762 2.286 3.273 1.00 0.69 H new ATOM 0 HD11 LEU A 87 3.413 1.521 3.508 1.00 1.93 H new ATOM 0 HD12 LEU A 87 3.778 2.821 4.667 1.00 1.93 H new ATOM 0 HD13 LEU A 87 2.842 3.177 3.196 1.00 1.93 H new ATOM 0 HD21 LEU A 87 4.538 1.490 1.270 1.00 1.05 H new ATOM 0 HD22 LEU A 87 3.960 3.145 0.964 1.00 1.05 H new ATOM 0 HD23 LEU A 87 5.695 2.772 0.842 1.00 1.05 H new ATOM 1407 N LYS A 88 3.734 6.432 4.729 1.00 0.44 N ATOM 1408 CA LYS A 88 3.010 6.770 5.994 1.00 0.57 C ATOM 1409 C LYS A 88 1.635 7.364 5.678 1.00 0.46 C ATOM 1410 O LYS A 88 0.650 7.041 6.312 1.00 0.64 O ATOM 1411 CB LYS A 88 3.828 7.786 6.789 1.00 0.73 C ATOM 1412 CG LYS A 88 5.177 7.170 7.159 1.00 0.65 C ATOM 1413 CD LYS A 88 5.974 8.158 8.014 1.00 0.52 C ATOM 1414 CE LYS A 88 6.969 8.913 7.131 1.00 1.22 C ATOM 1415 NZ LYS A 88 7.310 10.216 7.768 1.00 1.40 N ATOM 0 H LYS A 88 4.592 6.958 4.566 1.00 0.44 H new ATOM 0 HA LYS A 88 2.877 5.860 6.579 1.00 0.57 H new ATOM 0 HB2 LYS A 88 3.978 8.691 6.200 1.00 0.73 H new ATOM 0 HB3 LYS A 88 3.289 8.078 7.690 1.00 0.73 H new ATOM 0 HG2 LYS A 88 5.026 6.239 7.706 1.00 0.65 H new ATOM 0 HG3 LYS A 88 5.735 6.922 6.256 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.298 8.861 8.501 1.00 0.52 H new ATOM 0 HD3 LYS A 88 6.504 7.626 8.804 1.00 0.52 H new ATOM 0 HE2 LYS A 88 7.871 8.318 6.990 1.00 1.22 H new ATOM 0 HE3 LYS A 88 6.540 9.080 6.143 1.00 1.22 H new ATOM 0 HZ1 LYS A 88 8.279 10.488 7.505 1.00 1.40 H new ATOM 0 HZ2 LYS A 88 6.645 10.946 7.442 1.00 1.40 H new ATOM 0 HZ3 LYS A 88 7.245 10.125 8.802 1.00 1.40 H new ATOM 1429 N ARG A 89 1.556 8.233 4.711 1.00 0.23 N ATOM 1430 CA ARG A 89 0.241 8.842 4.362 1.00 0.25 C ATOM 1431 C ARG A 89 -0.743 7.725 4.014 1.00 0.30 C ATOM 1432 O ARG A 89 -1.858 7.688 4.490 1.00 0.44 O ATOM 1433 CB ARG A 89 0.440 9.777 3.159 1.00 0.26 C ATOM 1434 CG ARG A 89 -0.900 10.155 2.509 1.00 1.04 C ATOM 1435 CD ARG A 89 -0.614 10.907 1.208 1.00 1.71 C ATOM 1436 NE ARG A 89 -1.346 12.205 1.206 1.00 0.88 N ATOM 1437 CZ ARG A 89 -1.021 13.161 0.367 1.00 1.00 C ATOM 1438 NH1 ARG A 89 -0.039 13.015 -0.492 1.00 2.28 N ATOM 1439 NH2 ARG A 89 -1.686 14.283 0.391 1.00 1.05 N ATOM 0 H ARG A 89 2.344 8.549 4.146 1.00 0.23 H new ATOM 0 HA ARG A 89 -0.156 9.415 5.200 1.00 0.25 H new ATOM 0 HB2 ARG A 89 0.956 10.681 3.482 1.00 0.26 H new ATOM 0 HB3 ARG A 89 1.079 9.291 2.421 1.00 0.26 H new ATOM 0 HG2 ARG A 89 -1.489 9.260 2.308 1.00 1.04 H new ATOM 0 HG3 ARG A 89 -1.487 10.777 3.185 1.00 1.04 H new ATOM 0 HD2 ARG A 89 0.457 11.082 1.106 1.00 1.71 H new ATOM 0 HD3 ARG A 89 -0.921 10.304 0.353 1.00 1.71 H new ATOM 0 HE ARG A 89 -2.110 12.353 1.865 1.00 0.88 H new ATOM 0 HH11 ARG A 89 0.491 12.144 -0.518 1.00 2.28 H new ATOM 0 HH12 ARG A 89 0.194 13.773 -1.134 1.00 2.28 H new ATOM 0 HH21 ARG A 89 -2.449 14.410 1.056 1.00 1.05 H new ATOM 0 HH22 ARG A 89 -1.443 15.034 -0.256 1.00 1.05 H new ATOM 1453 N LEU A 90 -0.334 6.819 3.182 1.00 0.20 N ATOM 1454 CA LEU A 90 -1.233 5.701 2.782 1.00 0.25 C ATOM 1455 C LEU A 90 -1.409 4.696 3.930 1.00 0.31 C ATOM 1456 O LEU A 90 -2.305 3.875 3.908 1.00 0.38 O ATOM 1457 CB LEU A 90 -0.616 4.986 1.584 1.00 0.18 C ATOM 1458 CG LEU A 90 -1.706 4.235 0.828 1.00 0.31 C ATOM 1459 CD1 LEU A 90 -2.313 5.147 -0.238 1.00 0.48 C ATOM 1460 CD2 LEU A 90 -1.101 3.006 0.155 1.00 0.77 C ATOM 0 H LEU A 90 0.592 6.801 2.755 1.00 0.20 H new ATOM 0 HA LEU A 90 -2.212 6.109 2.529 1.00 0.25 H new ATOM 0 HB2 LEU A 90 -0.132 5.707 0.926 1.00 0.18 H new ATOM 0 HB3 LEU A 90 0.155 4.292 1.918 1.00 0.18 H new ATOM 0 HG LEU A 90 -2.483 3.926 1.527 1.00 0.31 H new ATOM 0 HD11 LEU A 90 -3.092 4.608 -0.777 1.00 0.48 H new ATOM 0 HD12 LEU A 90 -2.744 6.027 0.239 1.00 0.48 H new ATOM 0 HD13 LEU A 90 -1.536 5.457 -0.937 1.00 0.48 H new ATOM 0 HD21 LEU A 90 -1.879 2.468 -0.386 1.00 0.77 H new ATOM 0 HD22 LEU A 90 -0.324 3.319 -0.542 1.00 0.77 H new ATOM 0 HD23 LEU A 90 -0.667 2.353 0.912 1.00 0.77 H new ATOM 1472 N ASP A 91 -0.561 4.733 4.923 1.00 0.32 N ATOM 1473 CA ASP A 91 -0.682 3.757 6.046 1.00 0.40 C ATOM 1474 C ASP A 91 -1.945 4.027 6.876 1.00 0.45 C ATOM 1475 O ASP A 91 -2.733 3.136 7.123 1.00 0.54 O ATOM 1476 CB ASP A 91 0.545 3.874 6.953 1.00 0.42 C ATOM 1477 CG ASP A 91 1.177 2.493 7.134 1.00 0.84 C ATOM 1478 OD1 ASP A 91 0.470 1.589 7.548 1.00 1.44 O ATOM 1479 OD2 ASP A 91 2.358 2.363 6.858 1.00 1.97 O ATOM 0 H ASP A 91 0.210 5.396 5.006 1.00 0.32 H new ATOM 0 HA ASP A 91 -0.749 2.754 5.624 1.00 0.40 H new ATOM 0 HB2 ASP A 91 1.269 4.563 6.517 1.00 0.42 H new ATOM 0 HB3 ASP A 91 0.257 4.284 7.921 1.00 0.42 H new ATOM 1484 N ARG A 92 -2.129 5.234 7.337 1.00 0.39 N ATOM 1485 CA ARG A 92 -3.324 5.541 8.184 1.00 0.43 C ATOM 1486 C ARG A 92 -4.510 5.999 7.325 1.00 0.44 C ATOM 1487 O ARG A 92 -5.644 5.948 7.756 1.00 0.53 O ATOM 1488 CB ARG A 92 -2.954 6.653 9.174 1.00 0.33 C ATOM 1489 CG ARG A 92 -4.188 7.098 9.968 1.00 1.65 C ATOM 1490 CD ARG A 92 -4.713 5.938 10.811 1.00 1.95 C ATOM 1491 NE ARG A 92 -4.729 6.346 12.245 1.00 1.98 N ATOM 1492 CZ ARG A 92 -5.411 5.666 13.136 1.00 2.60 C ATOM 1493 NH1 ARG A 92 -6.101 4.604 12.799 1.00 3.29 N ATOM 1494 NH2 ARG A 92 -5.404 6.057 14.381 1.00 2.77 N ATOM 0 H ARG A 92 -1.505 6.023 7.166 1.00 0.39 H new ATOM 0 HA ARG A 92 -3.619 4.636 8.715 1.00 0.43 H new ATOM 0 HB2 ARG A 92 -2.183 6.298 9.858 1.00 0.33 H new ATOM 0 HB3 ARG A 92 -2.535 7.503 8.635 1.00 0.33 H new ATOM 0 HG2 ARG A 92 -3.932 7.940 10.612 1.00 1.65 H new ATOM 0 HG3 ARG A 92 -4.965 7.443 9.286 1.00 1.65 H new ATOM 0 HD2 ARG A 92 -5.717 5.662 10.487 1.00 1.95 H new ATOM 0 HD3 ARG A 92 -4.082 5.060 10.677 1.00 1.95 H new ATOM 0 HE ARG A 92 -4.201 7.168 12.538 1.00 1.98 H new ATOM 0 HH11 ARG A 92 -6.115 4.292 11.828 1.00 3.29 H new ATOM 0 HH12 ARG A 92 -6.624 4.090 13.508 1.00 3.29 H new ATOM 0 HH21 ARG A 92 -4.872 6.884 14.653 1.00 2.77 H new ATOM 0 HH22 ARG A 92 -5.931 5.536 15.082 1.00 2.77 H new ATOM 1508 N ASN A 93 -4.273 6.470 6.133 1.00 0.41 N ATOM 1509 CA ASN A 93 -5.409 6.954 5.292 1.00 0.53 C ATOM 1510 C ASN A 93 -6.086 5.788 4.559 1.00 0.73 C ATOM 1511 O ASN A 93 -7.281 5.800 4.338 1.00 0.90 O ATOM 1512 CB ASN A 93 -4.885 7.975 4.276 1.00 0.58 C ATOM 1513 CG ASN A 93 -4.176 9.129 5.003 1.00 0.94 C ATOM 1514 OD1 ASN A 93 -3.251 9.714 4.474 1.00 1.82 O ATOM 1515 ND2 ASN A 93 -4.571 9.496 6.196 1.00 1.52 N ATOM 0 H ASN A 93 -3.350 6.542 5.705 1.00 0.41 H new ATOM 0 HA ASN A 93 -6.150 7.422 5.940 1.00 0.53 H new ATOM 0 HB2 ASN A 93 -4.194 7.491 3.586 1.00 0.58 H new ATOM 0 HB3 ASN A 93 -5.711 8.363 3.680 1.00 0.58 H new ATOM 0 HD21 ASN A 93 -4.103 10.267 6.673 1.00 1.52 H new ATOM 0 HD22 ASN A 93 -5.346 9.011 6.648 1.00 1.52 H new ATOM 1522 N LEU A 94 -5.347 4.788 4.173 1.00 0.73 N ATOM 1523 CA LEU A 94 -5.971 3.642 3.449 1.00 0.94 C ATOM 1524 C LEU A 94 -6.823 2.806 4.408 1.00 0.98 C ATOM 1525 O LEU A 94 -7.988 2.561 4.168 1.00 1.07 O ATOM 1526 CB LEU A 94 -4.874 2.755 2.865 1.00 1.01 C ATOM 1527 CG LEU A 94 -5.464 1.877 1.763 1.00 1.16 C ATOM 1528 CD1 LEU A 94 -5.526 2.670 0.456 1.00 1.70 C ATOM 1529 CD2 LEU A 94 -4.578 0.645 1.572 1.00 0.91 C ATOM 0 H LEU A 94 -4.341 4.712 4.325 1.00 0.73 H new ATOM 0 HA LEU A 94 -6.604 4.034 2.653 1.00 0.94 H new ATOM 0 HB2 LEU A 94 -4.069 3.370 2.463 1.00 1.01 H new ATOM 0 HB3 LEU A 94 -4.439 2.133 3.647 1.00 1.01 H new ATOM 0 HG LEU A 94 -6.470 1.564 2.043 1.00 1.16 H new ATOM 0 HD11 LEU A 94 -5.947 2.043 -0.330 1.00 1.70 H new ATOM 0 HD12 LEU A 94 -6.154 3.550 0.594 1.00 1.70 H new ATOM 0 HD13 LEU A 94 -4.521 2.982 0.172 1.00 1.70 H new ATOM 0 HD21 LEU A 94 -4.995 0.015 0.786 1.00 0.91 H new ATOM 0 HD22 LEU A 94 -3.573 0.960 1.290 1.00 0.91 H new ATOM 0 HD23 LEU A 94 -4.533 0.081 2.504 1.00 0.91 H new ATOM 1541 N TRP A 95 -6.240 2.347 5.481 1.00 0.93 N ATOM 1542 CA TRP A 95 -6.995 1.502 6.452 1.00 0.98 C ATOM 1543 C TRP A 95 -7.696 2.374 7.510 1.00 0.78 C ATOM 1544 O TRP A 95 -8.538 1.903 8.249 1.00 0.67 O ATOM 1545 CB TRP A 95 -6.002 0.545 7.113 1.00 1.05 C ATOM 1546 CG TRP A 95 -6.384 0.267 8.529 1.00 1.41 C ATOM 1547 CD1 TRP A 95 -7.394 -0.534 8.929 1.00 3.01 C ATOM 1548 CD2 TRP A 95 -5.757 0.767 9.737 1.00 0.93 C ATOM 1549 NE1 TRP A 95 -7.433 -0.545 10.315 1.00 3.17 N ATOM 1550 CE2 TRP A 95 -6.437 0.245 10.858 1.00 1.60 C ATOM 1551 CE3 TRP A 95 -4.673 1.619 9.958 1.00 2.07 C ATOM 1552 CZ2 TRP A 95 -6.050 0.565 12.160 1.00 1.14 C ATOM 1553 CZ3 TRP A 95 -4.274 1.946 11.264 1.00 2.58 C ATOM 1554 CH2 TRP A 95 -4.963 1.418 12.365 1.00 1.39 C ATOM 0 H TRP A 95 -5.266 2.522 5.729 1.00 0.93 H new ATOM 0 HA TRP A 95 -7.771 0.940 5.932 1.00 0.98 H new ATOM 0 HB2 TRP A 95 -5.965 -0.389 6.553 1.00 1.05 H new ATOM 0 HB3 TRP A 95 -5.001 0.976 7.081 1.00 1.05 H new ATOM 0 HD1 TRP A 95 -8.062 -1.077 8.277 1.00 3.01 H new ATOM 0 HE1 TRP A 95 -8.112 -1.071 10.865 1.00 3.17 H new ATOM 0 HE3 TRP A 95 -4.136 2.031 9.116 1.00 2.07 H new ATOM 0 HZ2 TRP A 95 -6.587 0.156 13.003 1.00 1.14 H new ATOM 0 HZ3 TRP A 95 -3.434 2.606 11.421 1.00 2.58 H new ATOM 0 HH2 TRP A 95 -4.654 1.670 13.369 1.00 1.39 H new ATOM 1565 N GLY A 96 -7.371 3.639 7.584 1.00 0.75 N ATOM 1566 CA GLY A 96 -8.040 4.521 8.587 1.00 0.56 C ATOM 1567 C GLY A 96 -9.556 4.437 8.411 1.00 0.57 C ATOM 1568 O GLY A 96 -10.308 4.565 9.358 1.00 0.52 O ATOM 0 H GLY A 96 -6.675 4.098 6.996 1.00 0.75 H new ATOM 0 HA2 GLY A 96 -7.763 4.217 9.596 1.00 0.56 H new ATOM 0 HA3 GLY A 96 -7.705 5.551 8.462 1.00 0.56 H new ATOM 1572 N LEU A 97 -10.013 4.214 7.210 1.00 0.66 N ATOM 1573 CA LEU A 97 -11.480 4.109 6.980 1.00 0.70 C ATOM 1574 C LEU A 97 -11.978 2.808 7.605 1.00 0.76 C ATOM 1575 O LEU A 97 -13.041 2.749 8.191 1.00 0.89 O ATOM 1576 CB LEU A 97 -11.761 4.081 5.476 1.00 0.70 C ATOM 1577 CG LEU A 97 -12.617 5.282 5.081 1.00 1.09 C ATOM 1578 CD1 LEU A 97 -11.780 6.555 5.180 1.00 1.40 C ATOM 1579 CD2 LEU A 97 -13.104 5.107 3.640 1.00 1.38 C ATOM 0 H LEU A 97 -9.434 4.100 6.378 1.00 0.66 H new ATOM 0 HA LEU A 97 -11.988 4.963 7.427 1.00 0.70 H new ATOM 0 HB2 LEU A 97 -10.822 4.095 4.922 1.00 0.70 H new ATOM 0 HB3 LEU A 97 -12.273 3.156 5.211 1.00 0.70 H new ATOM 0 HG LEU A 97 -13.474 5.355 5.750 1.00 1.09 H new ATOM 0 HD11 LEU A 97 -12.389 7.414 4.898 1.00 1.40 H new ATOM 0 HD12 LEU A 97 -11.428 6.680 6.204 1.00 1.40 H new ATOM 0 HD13 LEU A 97 -10.925 6.481 4.508 1.00 1.40 H new ATOM 0 HD21 LEU A 97 -13.715 5.964 3.356 1.00 1.38 H new ATOM 0 HD22 LEU A 97 -12.246 5.036 2.972 1.00 1.38 H new ATOM 0 HD23 LEU A 97 -13.698 4.196 3.565 1.00 1.38 H new ATOM 1591 N ALA A 98 -11.208 1.765 7.475 1.00 0.77 N ATOM 1592 CA ALA A 98 -11.605 0.452 8.047 1.00 0.87 C ATOM 1593 C ALA A 98 -11.970 0.617 9.519 1.00 0.90 C ATOM 1594 O ALA A 98 -13.082 0.355 9.931 1.00 1.11 O ATOM 1595 CB ALA A 98 -10.428 -0.515 7.931 1.00 0.85 C ATOM 0 H ALA A 98 -10.310 1.768 6.991 1.00 0.77 H new ATOM 0 HA ALA A 98 -12.467 0.065 7.503 1.00 0.87 H new ATOM 0 HB1 ALA A 98 -10.709 -1.482 8.348 1.00 0.85 H new ATOM 0 HB2 ALA A 98 -10.159 -0.637 6.882 1.00 0.85 H new ATOM 0 HB3 ALA A 98 -9.575 -0.117 8.480 1.00 0.85 H new ATOM 1601 N GLY A 99 -11.034 1.049 10.311 1.00 0.76 N ATOM 1602 CA GLY A 99 -11.314 1.229 11.762 1.00 0.89 C ATOM 1603 C GLY A 99 -11.297 -0.140 12.451 1.00 0.94 C ATOM 1604 O GLY A 99 -12.325 -0.662 12.838 1.00 1.19 O ATOM 0 H GLY A 99 -10.086 1.286 10.018 1.00 0.76 H new ATOM 0 HA2 GLY A 99 -10.567 1.885 12.210 1.00 0.89 H new ATOM 0 HA3 GLY A 99 -12.283 1.708 11.901 1.00 0.89 H new ATOM 1608 N LEU A 100 -10.138 -0.726 12.601 1.00 0.83 N ATOM 1609 CA LEU A 100 -10.048 -2.065 13.257 1.00 0.97 C ATOM 1610 C LEU A 100 -8.772 -2.127 14.103 1.00 0.82 C ATOM 1611 O LEU A 100 -7.767 -1.541 13.763 1.00 0.63 O ATOM 1612 CB LEU A 100 -9.995 -3.159 12.182 1.00 0.97 C ATOM 1613 CG LEU A 100 -11.283 -3.987 12.207 1.00 1.48 C ATOM 1614 CD1 LEU A 100 -12.002 -3.853 10.864 1.00 1.87 C ATOM 1615 CD2 LEU A 100 -10.938 -5.458 12.450 1.00 1.59 C ATOM 0 H LEU A 100 -9.247 -0.334 12.297 1.00 0.83 H new ATOM 0 HA LEU A 100 -10.920 -2.220 13.892 1.00 0.97 H new ATOM 0 HB2 LEU A 100 -9.863 -2.707 11.199 1.00 0.97 H new ATOM 0 HB3 LEU A 100 -9.135 -3.806 12.353 1.00 0.97 H new ATOM 0 HG LEU A 100 -11.930 -3.626 13.006 1.00 1.48 H new ATOM 0 HD11 LEU A 100 -12.919 -4.442 10.882 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -12.247 -2.806 10.685 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -11.353 -4.215 10.066 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -11.854 -6.048 12.468 1.00 1.59 H new ATOM 0 HD22 LEU A 100 -10.291 -5.817 11.650 1.00 1.59 H new ATOM 0 HD23 LEU A 100 -10.423 -5.558 13.406 1.00 1.59 H new ATOM 1627 N ASN A 101 -8.803 -2.830 15.202 1.00 1.07 N ATOM 1628 CA ASN A 101 -7.585 -2.918 16.057 1.00 0.97 C ATOM 1629 C ASN A 101 -6.795 -4.180 15.704 1.00 1.02 C ATOM 1630 O ASN A 101 -5.597 -4.139 15.506 1.00 1.41 O ATOM 1631 CB ASN A 101 -7.991 -2.972 17.530 1.00 1.25 C ATOM 1632 CG ASN A 101 -7.339 -1.813 18.286 1.00 2.11 C ATOM 1633 OD1 ASN A 101 -7.576 -0.661 17.977 1.00 2.92 O ATOM 1634 ND2 ASN A 101 -6.519 -2.068 19.270 1.00 2.43 N ATOM 0 H ASN A 101 -9.614 -3.345 15.544 1.00 1.07 H new ATOM 0 HA ASN A 101 -6.964 -2.039 15.882 1.00 0.97 H new ATOM 0 HB2 ASN A 101 -9.076 -2.914 17.621 1.00 1.25 H new ATOM 0 HB3 ASN A 101 -7.685 -3.922 17.967 1.00 1.25 H new ATOM 0 HD21 ASN A 101 -6.078 -1.301 19.778 1.00 2.43 H new ATOM 0 HD22 ASN A 101 -6.319 -3.034 19.530 1.00 2.43 H new ATOM 1641 N SER A 102 -7.454 -5.305 15.635 1.00 1.29 N ATOM 1642 CA SER A 102 -6.739 -6.572 15.304 1.00 1.47 C ATOM 1643 C SER A 102 -6.703 -6.771 13.785 1.00 0.99 C ATOM 1644 O SER A 102 -7.633 -6.429 13.082 1.00 0.91 O ATOM 1645 CB SER A 102 -7.461 -7.746 15.965 1.00 2.19 C ATOM 1646 OG SER A 102 -7.170 -7.745 17.357 1.00 2.50 O ATOM 0 H SER A 102 -8.457 -5.402 15.794 1.00 1.29 H new ATOM 0 HA SER A 102 -5.716 -6.518 15.676 1.00 1.47 H new ATOM 0 HB2 SER A 102 -8.536 -7.665 15.805 1.00 2.19 H new ATOM 0 HB3 SER A 102 -7.142 -8.686 15.514 1.00 2.19 H new ATOM 0 HG SER A 102 -7.631 -8.495 17.788 1.00 2.50 H new ATOM 1652 N CYS A 103 -5.629 -7.321 13.276 1.00 0.99 N ATOM 1653 CA CYS A 103 -5.516 -7.545 11.804 1.00 0.61 C ATOM 1654 C CYS A 103 -4.641 -8.783 11.555 1.00 0.83 C ATOM 1655 O CYS A 103 -3.432 -8.675 11.533 1.00 0.98 O ATOM 1656 CB CYS A 103 -4.850 -6.330 11.155 1.00 0.74 C ATOM 1657 SG CYS A 103 -6.115 -5.136 10.659 1.00 1.13 S ATOM 0 H CYS A 103 -4.822 -7.626 13.821 1.00 0.99 H new ATOM 0 HA CYS A 103 -6.508 -7.693 11.377 1.00 0.61 H new ATOM 0 HB2 CYS A 103 -4.154 -5.868 11.855 1.00 0.74 H new ATOM 0 HB3 CYS A 103 -4.270 -6.642 10.287 1.00 0.74 H new ATOM 1662 N PRO A 104 -5.265 -9.926 11.391 1.00 1.41 N ATOM 1663 CA PRO A 104 -4.538 -11.189 11.166 1.00 1.73 C ATOM 1664 C PRO A 104 -3.898 -11.219 9.775 1.00 1.33 C ATOM 1665 O PRO A 104 -4.451 -11.775 8.846 1.00 1.55 O ATOM 1666 CB PRO A 104 -5.613 -12.278 11.263 1.00 2.47 C ATOM 1667 CG PRO A 104 -6.990 -11.570 11.300 1.00 2.78 C ATOM 1668 CD PRO A 104 -6.732 -10.061 11.423 1.00 2.05 C ATOM 0 HA PRO A 104 -3.731 -11.321 11.886 1.00 1.73 H new ATOM 0 HB2 PRO A 104 -5.552 -12.954 10.410 1.00 2.47 H new ATOM 0 HB3 PRO A 104 -5.468 -12.881 12.159 1.00 2.47 H new ATOM 0 HG2 PRO A 104 -7.558 -11.789 10.396 1.00 2.78 H new ATOM 0 HG3 PRO A 104 -7.582 -11.927 12.143 1.00 2.78 H new ATOM 0 HD2 PRO A 104 -7.198 -9.512 10.604 1.00 2.05 H new ATOM 0 HD3 PRO A 104 -7.146 -9.663 12.350 1.00 2.05 H new ATOM 1676 N VAL A 105 -2.735 -10.653 9.616 1.00 0.94 N ATOM 1677 CA VAL A 105 -2.083 -10.697 8.274 1.00 0.66 C ATOM 1678 C VAL A 105 -0.996 -11.774 8.286 1.00 0.55 C ATOM 1679 O VAL A 105 0.048 -11.617 8.888 1.00 0.82 O ATOM 1680 CB VAL A 105 -1.472 -9.341 7.927 1.00 1.01 C ATOM 1681 CG1 VAL A 105 -1.407 -9.195 6.405 1.00 1.82 C ATOM 1682 CG2 VAL A 105 -2.348 -8.232 8.508 1.00 2.58 C ATOM 0 H VAL A 105 -2.212 -10.168 10.345 1.00 0.94 H new ATOM 0 HA VAL A 105 -2.832 -10.934 7.518 1.00 0.66 H new ATOM 0 HB VAL A 105 -0.468 -9.269 8.345 1.00 1.01 H new ATOM 0 HG11 VAL A 105 -0.972 -8.229 6.150 1.00 1.82 H new ATOM 0 HG12 VAL A 105 -0.790 -9.992 5.989 1.00 1.82 H new ATOM 0 HG13 VAL A 105 -2.413 -9.260 5.990 1.00 1.82 H new ATOM 0 HG21 VAL A 105 -1.916 -7.261 8.263 1.00 2.58 H new ATOM 0 HG22 VAL A 105 -3.350 -8.301 8.085 1.00 2.58 H new ATOM 0 HG23 VAL A 105 -2.403 -8.342 9.591 1.00 2.58 H new ATOM 1692 N LYS A 106 -1.244 -12.876 7.634 1.00 0.59 N ATOM 1693 CA LYS A 106 -0.243 -13.980 7.609 1.00 0.81 C ATOM 1694 C LYS A 106 -0.732 -15.070 6.648 1.00 0.49 C ATOM 1695 O LYS A 106 -1.025 -16.180 7.050 1.00 0.52 O ATOM 1696 CB LYS A 106 -0.098 -14.565 9.019 1.00 1.03 C ATOM 1697 CG LYS A 106 1.282 -15.208 9.169 1.00 1.60 C ATOM 1698 CD LYS A 106 2.356 -14.118 9.154 1.00 3.23 C ATOM 1699 CE LYS A 106 3.514 -14.526 10.070 1.00 4.08 C ATOM 1700 NZ LYS A 106 4.757 -14.683 9.263 1.00 5.15 N ATOM 0 H LYS A 106 -2.102 -13.060 7.114 1.00 0.59 H new ATOM 0 HA LYS A 106 0.723 -13.601 7.275 1.00 0.81 H new ATOM 0 HB2 LYS A 106 -0.227 -13.780 9.764 1.00 1.03 H new ATOM 0 HB3 LYS A 106 -0.877 -15.306 9.198 1.00 1.03 H new ATOM 0 HG2 LYS A 106 1.333 -15.771 10.101 1.00 1.60 H new ATOM 0 HG3 LYS A 106 1.455 -15.916 8.358 1.00 1.60 H new ATOM 0 HD2 LYS A 106 2.719 -13.965 8.138 1.00 3.23 H new ATOM 0 HD3 LYS A 106 1.932 -13.171 9.487 1.00 3.23 H new ATOM 0 HE2 LYS A 106 3.663 -13.772 10.843 1.00 4.08 H new ATOM 0 HE3 LYS A 106 3.277 -15.461 10.578 1.00 4.08 H new ATOM 0 HZ1 LYS A 106 5.543 -14.960 9.886 1.00 5.15 H new ATOM 0 HZ2 LYS A 106 4.612 -15.418 8.541 1.00 5.15 H new ATOM 0 HZ3 LYS A 106 4.985 -13.781 8.798 1.00 5.15 H new ATOM 1714 N GLU A 107 -0.843 -14.757 5.381 1.00 1.20 N ATOM 1715 CA GLU A 107 -1.333 -15.771 4.398 1.00 0.99 C ATOM 1716 C GLU A 107 -0.434 -15.803 3.165 1.00 1.07 C ATOM 1717 O GLU A 107 -0.900 -15.987 2.058 1.00 1.56 O ATOM 1718 CB GLU A 107 -2.757 -15.411 3.963 1.00 1.43 C ATOM 1719 CG GLU A 107 -3.634 -15.160 5.192 1.00 1.15 C ATOM 1720 CD GLU A 107 -5.008 -14.654 4.742 1.00 1.91 C ATOM 1721 OE1 GLU A 107 -5.116 -14.220 3.607 1.00 2.43 O ATOM 1722 OE2 GLU A 107 -5.930 -14.707 5.542 1.00 2.50 O ATOM 0 H GLU A 107 -0.616 -13.845 4.986 1.00 1.20 H new ATOM 0 HA GLU A 107 -1.319 -16.751 4.875 1.00 0.99 H new ATOM 0 HB2 GLU A 107 -2.739 -14.523 3.332 1.00 1.43 H new ATOM 0 HB3 GLU A 107 -3.178 -16.219 3.365 1.00 1.43 H new ATOM 0 HG2 GLU A 107 -3.743 -16.079 5.768 1.00 1.15 H new ATOM 0 HG3 GLU A 107 -3.161 -14.428 5.846 1.00 1.15 H new ATOM 1729 N ALA A 108 0.846 -15.645 3.333 1.00 0.95 N ATOM 1730 CA ALA A 108 1.738 -15.689 2.146 1.00 1.16 C ATOM 1731 C ALA A 108 3.189 -15.848 2.587 1.00 1.21 C ATOM 1732 O ALA A 108 3.584 -15.420 3.655 1.00 1.28 O ATOM 1733 CB ALA A 108 1.582 -14.406 1.333 1.00 1.41 C ATOM 0 H ALA A 108 1.309 -15.489 4.229 1.00 0.95 H new ATOM 0 HA ALA A 108 1.461 -16.542 1.527 1.00 1.16 H new ATOM 0 HB1 ALA A 108 2.239 -14.444 0.464 1.00 1.41 H new ATOM 0 HB2 ALA A 108 0.548 -14.308 1.003 1.00 1.41 H new ATOM 0 HB3 ALA A 108 1.848 -13.549 1.951 1.00 1.41 H new ATOM 1739 N ASP A 109 3.977 -16.472 1.766 1.00 1.49 N ATOM 1740 CA ASP A 109 5.412 -16.686 2.103 1.00 1.77 C ATOM 1741 C ASP A 109 6.242 -15.500 1.613 1.00 1.66 C ATOM 1742 O ASP A 109 6.822 -14.774 2.397 1.00 2.58 O ATOM 1743 CB ASP A 109 5.901 -17.972 1.431 1.00 2.29 C ATOM 1744 CG ASP A 109 7.404 -18.121 1.658 1.00 3.79 C ATOM 1745 OD1 ASP A 109 7.889 -17.577 2.635 1.00 5.22 O ATOM 1746 OD2 ASP A 109 8.042 -18.780 0.854 1.00 3.92 O ATOM 0 H ASP A 109 3.688 -16.849 0.863 1.00 1.49 H new ATOM 0 HA ASP A 109 5.523 -16.774 3.184 1.00 1.77 H new ATOM 0 HB2 ASP A 109 5.373 -18.833 1.840 1.00 2.29 H new ATOM 0 HB3 ASP A 109 5.684 -17.943 0.363 1.00 2.29 H new ATOM 1751 N GLN A 110 6.310 -15.294 0.325 1.00 0.84 N ATOM 1752 CA GLN A 110 7.110 -14.149 -0.194 1.00 0.83 C ATOM 1753 C GLN A 110 6.839 -13.934 -1.679 1.00 0.67 C ATOM 1754 O GLN A 110 7.466 -14.532 -2.531 1.00 0.63 O ATOM 1755 CB GLN A 110 8.603 -14.424 0.000 1.00 0.95 C ATOM 1756 CG GLN A 110 9.308 -13.134 0.426 1.00 1.64 C ATOM 1757 CD GLN A 110 9.746 -13.247 1.887 1.00 2.01 C ATOM 1758 OE1 GLN A 110 8.978 -12.979 2.785 1.00 2.70 O ATOM 1759 NE2 GLN A 110 10.959 -13.641 2.163 1.00 2.27 N ATOM 0 H GLN A 110 5.850 -15.864 -0.385 1.00 0.84 H new ATOM 0 HA GLN A 110 6.821 -13.255 0.359 1.00 0.83 H new ATOM 0 HB2 GLN A 110 8.746 -15.196 0.756 1.00 0.95 H new ATOM 0 HB3 GLN A 110 9.038 -14.800 -0.926 1.00 0.95 H new ATOM 0 HG2 GLN A 110 10.174 -12.954 -0.211 1.00 1.64 H new ATOM 0 HG3 GLN A 110 8.638 -12.283 0.301 1.00 1.64 H new ATOM 0 HE21 GLN A 110 11.606 -13.867 1.408 1.00 2.27 H new ATOM 0 HE22 GLN A 110 11.260 -13.723 3.134 1.00 2.27 H new ATOM 1768 N SER A 111 5.943 -13.045 -1.995 1.00 0.63 N ATOM 1769 CA SER A 111 5.669 -12.744 -3.421 1.00 0.54 C ATOM 1770 C SER A 111 6.531 -11.534 -3.770 1.00 0.57 C ATOM 1771 O SER A 111 7.114 -10.930 -2.899 1.00 0.61 O ATOM 1772 CB SER A 111 4.182 -12.424 -3.610 1.00 0.49 C ATOM 1773 OG SER A 111 3.494 -13.602 -4.016 1.00 1.67 O ATOM 0 H SER A 111 5.388 -12.513 -1.324 1.00 0.63 H new ATOM 0 HA SER A 111 5.903 -13.590 -4.067 1.00 0.54 H new ATOM 0 HB2 SER A 111 3.759 -12.045 -2.680 1.00 0.49 H new ATOM 0 HB3 SER A 111 4.059 -11.641 -4.359 1.00 0.49 H new ATOM 0 HG SER A 111 2.727 -13.357 -4.575 1.00 1.67 H new ATOM 1779 N THR A 112 6.645 -11.168 -5.008 1.00 0.62 N ATOM 1780 CA THR A 112 7.502 -9.992 -5.317 1.00 0.60 C ATOM 1781 C THR A 112 6.686 -8.714 -5.132 1.00 0.54 C ATOM 1782 O THR A 112 5.485 -8.704 -5.290 1.00 0.34 O ATOM 1783 CB THR A 112 8.019 -10.090 -6.754 1.00 0.65 C ATOM 1784 OG1 THR A 112 6.934 -10.320 -7.641 1.00 0.54 O ATOM 1785 CG2 THR A 112 9.016 -11.246 -6.846 1.00 0.79 C ATOM 0 H THR A 112 6.195 -11.617 -5.806 1.00 0.62 H new ATOM 0 HA THR A 112 8.357 -9.972 -4.641 1.00 0.60 H new ATOM 0 HB THR A 112 8.510 -9.158 -7.032 1.00 0.65 H new ATOM 0 HG1 THR A 112 6.135 -9.861 -7.307 1.00 0.54 H new ATOM 0 HG21 THR A 112 9.390 -11.324 -7.867 1.00 0.79 H new ATOM 0 HG22 THR A 112 9.849 -11.063 -6.167 1.00 0.79 H new ATOM 0 HG23 THR A 112 8.521 -12.177 -6.569 1.00 0.79 H new ATOM 1793 N LEU A 113 7.323 -7.633 -4.789 1.00 0.73 N ATOM 1794 CA LEU A 113 6.574 -6.361 -4.598 1.00 0.69 C ATOM 1795 C LEU A 113 6.139 -5.802 -5.969 1.00 0.71 C ATOM 1796 O LEU A 113 5.381 -4.854 -6.048 1.00 0.82 O ATOM 1797 CB LEU A 113 7.482 -5.359 -3.877 1.00 0.63 C ATOM 1798 CG LEU A 113 6.789 -4.000 -3.779 1.00 1.12 C ATOM 1799 CD1 LEU A 113 5.415 -4.163 -3.120 1.00 1.52 C ATOM 1800 CD2 LEU A 113 7.647 -3.056 -2.935 1.00 0.93 C ATOM 0 H LEU A 113 8.329 -7.574 -4.632 1.00 0.73 H new ATOM 0 HA LEU A 113 5.681 -6.538 -3.999 1.00 0.69 H new ATOM 0 HB2 LEU A 113 7.722 -5.726 -2.879 1.00 0.63 H new ATOM 0 HB3 LEU A 113 8.425 -5.258 -4.415 1.00 0.63 H new ATOM 0 HG LEU A 113 6.661 -3.588 -4.780 1.00 1.12 H new ATOM 0 HD11 LEU A 113 4.926 -3.191 -3.053 1.00 1.52 H new ATOM 0 HD12 LEU A 113 4.802 -4.837 -3.718 1.00 1.52 H new ATOM 0 HD13 LEU A 113 5.538 -4.577 -2.119 1.00 1.52 H new ATOM 0 HD21 LEU A 113 7.156 -2.085 -2.863 1.00 0.93 H new ATOM 0 HD22 LEU A 113 7.773 -3.474 -1.936 1.00 0.93 H new ATOM 0 HD23 LEU A 113 8.624 -2.935 -3.404 1.00 0.93 H new ATOM 1812 N GLU A 114 6.603 -6.382 -7.053 1.00 0.64 N ATOM 1813 CA GLU A 114 6.212 -5.879 -8.401 1.00 0.66 C ATOM 1814 C GLU A 114 4.761 -6.263 -8.704 1.00 0.68 C ATOM 1815 O GLU A 114 3.912 -5.416 -8.904 1.00 0.62 O ATOM 1816 CB GLU A 114 7.120 -6.506 -9.464 1.00 0.64 C ATOM 1817 CG GLU A 114 8.592 -6.319 -9.085 1.00 0.96 C ATOM 1818 CD GLU A 114 9.437 -7.359 -9.824 1.00 1.39 C ATOM 1819 OE1 GLU A 114 8.874 -8.086 -10.624 1.00 1.16 O ATOM 1820 OE2 GLU A 114 10.631 -7.411 -9.575 1.00 2.53 O ATOM 0 H GLU A 114 7.236 -7.182 -7.057 1.00 0.64 H new ATOM 0 HA GLU A 114 6.313 -4.794 -8.415 1.00 0.66 H new ATOM 0 HB2 GLU A 114 6.895 -7.568 -9.563 1.00 0.64 H new ATOM 0 HB3 GLU A 114 6.926 -6.047 -10.434 1.00 0.64 H new ATOM 0 HG2 GLU A 114 8.922 -5.313 -9.345 1.00 0.96 H new ATOM 0 HG3 GLU A 114 8.719 -6.428 -8.008 1.00 0.96 H new ATOM 1827 N ASN A 115 4.477 -7.535 -8.757 1.00 0.80 N ATOM 1828 CA ASN A 115 3.085 -7.985 -9.065 1.00 0.84 C ATOM 1829 C ASN A 115 2.133 -7.586 -7.935 1.00 0.79 C ATOM 1830 O ASN A 115 0.939 -7.537 -8.125 1.00 0.76 O ATOM 1831 CB ASN A 115 3.065 -9.508 -9.238 1.00 0.94 C ATOM 1832 CG ASN A 115 3.604 -10.170 -7.970 1.00 1.47 C ATOM 1833 OD1 ASN A 115 3.994 -9.494 -7.045 1.00 2.62 O ATOM 1834 ND2 ASN A 115 3.638 -11.472 -7.888 1.00 2.19 N ATOM 0 H ASN A 115 5.149 -8.286 -8.600 1.00 0.80 H new ATOM 0 HA ASN A 115 2.757 -7.506 -9.987 1.00 0.84 H new ATOM 0 HB2 ASN A 115 2.049 -9.849 -9.436 1.00 0.94 H new ATOM 0 HB3 ASN A 115 3.671 -9.795 -10.097 1.00 0.94 H new ATOM 0 HD21 ASN A 115 3.993 -11.921 -7.044 1.00 2.19 H new ATOM 0 HD22 ASN A 115 3.309 -12.041 -8.668 1.00 2.19 H new ATOM 1841 N PHE A 116 2.634 -7.295 -6.767 1.00 0.80 N ATOM 1842 CA PHE A 116 1.720 -6.900 -5.661 1.00 0.77 C ATOM 1843 C PHE A 116 1.403 -5.409 -5.782 1.00 0.69 C ATOM 1844 O PHE A 116 0.365 -4.961 -5.353 1.00 0.64 O ATOM 1845 CB PHE A 116 2.389 -7.181 -4.314 1.00 0.69 C ATOM 1846 CG PHE A 116 1.579 -6.552 -3.205 1.00 0.67 C ATOM 1847 CD1 PHE A 116 0.297 -7.034 -2.911 1.00 0.97 C ATOM 1848 CD2 PHE A 116 2.109 -5.485 -2.467 1.00 0.46 C ATOM 1849 CE1 PHE A 116 -0.453 -6.451 -1.884 1.00 0.96 C ATOM 1850 CE2 PHE A 116 1.360 -4.903 -1.440 1.00 0.51 C ATOM 1851 CZ PHE A 116 0.081 -5.386 -1.148 1.00 0.70 C ATOM 0 H PHE A 116 3.626 -7.313 -6.532 1.00 0.80 H new ATOM 0 HA PHE A 116 0.796 -7.475 -5.725 1.00 0.77 H new ATOM 0 HB2 PHE A 116 2.470 -8.256 -4.154 1.00 0.69 H new ATOM 0 HB3 PHE A 116 3.403 -6.781 -4.310 1.00 0.69 H new ATOM 0 HD1 PHE A 116 -0.113 -7.857 -3.478 1.00 0.97 H new ATOM 0 HD2 PHE A 116 3.097 -5.112 -2.692 1.00 0.46 H new ATOM 0 HE1 PHE A 116 -1.442 -6.822 -1.659 1.00 0.96 H new ATOM 0 HE2 PHE A 116 1.769 -4.080 -0.872 1.00 0.51 H new ATOM 0 HZ PHE A 116 -0.496 -4.937 -0.353 1.00 0.70 H new ATOM 1861 N LEU A 117 2.283 -4.637 -6.372 1.00 0.96 N ATOM 1862 CA LEU A 117 2.005 -3.177 -6.524 1.00 0.89 C ATOM 1863 C LEU A 117 1.019 -2.979 -7.676 1.00 0.82 C ATOM 1864 O LEU A 117 0.105 -2.186 -7.596 1.00 0.64 O ATOM 1865 CB LEU A 117 3.306 -2.426 -6.826 1.00 0.98 C ATOM 1866 CG LEU A 117 3.543 -1.367 -5.745 1.00 0.96 C ATOM 1867 CD1 LEU A 117 5.044 -1.199 -5.509 1.00 1.80 C ATOM 1868 CD2 LEU A 117 2.953 -0.026 -6.193 1.00 2.01 C ATOM 0 H LEU A 117 3.175 -4.953 -6.752 1.00 0.96 H new ATOM 0 HA LEU A 117 1.580 -2.787 -5.599 1.00 0.89 H new ATOM 0 HB2 LEU A 117 4.143 -3.124 -6.857 1.00 0.98 H new ATOM 0 HB3 LEU A 117 3.247 -1.954 -7.807 1.00 0.98 H new ATOM 0 HG LEU A 117 3.060 -1.688 -4.822 1.00 0.96 H new ATOM 0 HD11 LEU A 117 5.209 -0.445 -4.739 1.00 1.80 H new ATOM 0 HD12 LEU A 117 5.470 -2.148 -5.184 1.00 1.80 H new ATOM 0 HD13 LEU A 117 5.525 -0.884 -6.435 1.00 1.80 H new ATOM 0 HD21 LEU A 117 3.125 0.723 -5.420 1.00 2.01 H new ATOM 0 HD22 LEU A 117 3.433 0.291 -7.119 1.00 2.01 H new ATOM 0 HD23 LEU A 117 1.881 -0.137 -6.359 1.00 2.01 H new ATOM 1880 N GLU A 118 1.197 -3.705 -8.743 1.00 1.02 N ATOM 1881 CA GLU A 118 0.268 -3.578 -9.901 1.00 1.07 C ATOM 1882 C GLU A 118 -1.057 -4.247 -9.535 1.00 0.83 C ATOM 1883 O GLU A 118 -2.113 -3.822 -9.955 1.00 0.72 O ATOM 1884 CB GLU A 118 0.901 -4.250 -11.130 1.00 1.61 C ATOM 1885 CG GLU A 118 -0.141 -5.072 -11.898 1.00 0.99 C ATOM 1886 CD GLU A 118 0.364 -5.320 -13.322 1.00 1.23 C ATOM 1887 OE1 GLU A 118 0.080 -4.498 -14.180 1.00 2.29 O ATOM 1888 OE2 GLU A 118 1.026 -6.323 -13.531 1.00 1.29 O ATOM 0 H GLU A 118 1.949 -4.384 -8.864 1.00 1.02 H new ATOM 0 HA GLU A 118 0.084 -2.530 -10.138 1.00 1.07 H new ATOM 0 HB2 GLU A 118 1.327 -3.491 -11.786 1.00 1.61 H new ATOM 0 HB3 GLU A 118 1.720 -4.896 -10.815 1.00 1.61 H new ATOM 0 HG2 GLU A 118 -0.318 -6.021 -11.392 1.00 0.99 H new ATOM 0 HG3 GLU A 118 -1.093 -4.542 -11.924 1.00 0.99 H new ATOM 1895 N ARG A 119 -0.999 -5.286 -8.750 1.00 0.91 N ATOM 1896 CA ARG A 119 -2.240 -6.000 -8.334 1.00 0.89 C ATOM 1897 C ARG A 119 -2.962 -5.183 -7.257 1.00 0.70 C ATOM 1898 O ARG A 119 -4.163 -5.280 -7.103 1.00 0.78 O ATOM 1899 CB ARG A 119 -1.843 -7.373 -7.788 1.00 1.31 C ATOM 1900 CG ARG A 119 -3.077 -8.246 -7.587 1.00 0.74 C ATOM 1901 CD ARG A 119 -3.103 -9.354 -8.647 1.00 0.43 C ATOM 1902 NE ARG A 119 -4.439 -9.374 -9.318 1.00 1.15 N ATOM 1903 CZ ARG A 119 -4.638 -10.075 -10.413 1.00 1.24 C ATOM 1904 NH1 ARG A 119 -3.673 -10.782 -10.955 1.00 1.77 N ATOM 1905 NH2 ARG A 119 -5.818 -10.068 -10.972 1.00 2.15 N ATOM 0 H ARG A 119 -0.135 -5.676 -8.374 1.00 0.91 H new ATOM 0 HA ARG A 119 -2.914 -6.124 -9.182 1.00 0.89 H new ATOM 0 HB2 ARG A 119 -1.154 -7.860 -8.478 1.00 1.31 H new ATOM 0 HB3 ARG A 119 -1.315 -7.256 -6.841 1.00 1.31 H new ATOM 0 HG2 ARG A 119 -3.066 -8.684 -6.589 1.00 0.74 H new ATOM 0 HG3 ARG A 119 -3.980 -7.639 -7.659 1.00 0.74 H new ATOM 0 HD2 ARG A 119 -2.317 -9.185 -9.383 1.00 0.43 H new ATOM 0 HD3 ARG A 119 -2.903 -10.320 -8.183 1.00 0.43 H new ATOM 0 HE ARG A 119 -5.208 -8.835 -8.920 1.00 1.15 H new ATOM 0 HH11 ARG A 119 -2.747 -10.795 -10.526 1.00 1.77 H new ATOM 0 HH12 ARG A 119 -3.849 -11.318 -11.804 1.00 1.77 H new ATOM 0 HH21 ARG A 119 -6.575 -9.522 -10.559 1.00 2.15 H new ATOM 0 HH22 ARG A 119 -5.983 -10.608 -11.821 1.00 2.15 H new ATOM 1919 N LEU A 120 -2.254 -4.360 -6.522 1.00 0.53 N ATOM 1920 CA LEU A 120 -2.936 -3.528 -5.487 1.00 0.54 C ATOM 1921 C LEU A 120 -3.684 -2.415 -6.209 1.00 0.45 C ATOM 1922 O LEU A 120 -4.832 -2.151 -5.935 1.00 0.64 O ATOM 1923 CB LEU A 120 -1.920 -2.907 -4.523 1.00 0.46 C ATOM 1924 CG LEU A 120 -2.419 -3.060 -3.083 1.00 0.50 C ATOM 1925 CD1 LEU A 120 -1.328 -2.594 -2.117 1.00 0.27 C ATOM 1926 CD2 LEU A 120 -3.675 -2.205 -2.879 1.00 0.87 C ATOM 0 H LEU A 120 -1.245 -4.230 -6.594 1.00 0.53 H new ATOM 0 HA LEU A 120 -3.615 -4.153 -4.906 1.00 0.54 H new ATOM 0 HB2 LEU A 120 -0.951 -3.393 -4.637 1.00 0.46 H new ATOM 0 HB3 LEU A 120 -1.777 -1.853 -4.759 1.00 0.46 H new ATOM 0 HG LEU A 120 -2.658 -4.106 -2.892 1.00 0.50 H new ATOM 0 HD11 LEU A 120 -1.680 -2.702 -1.091 1.00 0.27 H new ATOM 0 HD12 LEU A 120 -0.433 -3.200 -2.259 1.00 0.27 H new ATOM 0 HD13 LEU A 120 -1.092 -1.548 -2.312 1.00 0.27 H new ATOM 0 HD21 LEU A 120 -4.028 -2.316 -1.854 1.00 0.87 H new ATOM 0 HD22 LEU A 120 -3.438 -1.158 -3.070 1.00 0.87 H new ATOM 0 HD23 LEU A 120 -4.454 -2.532 -3.568 1.00 0.87 H new ATOM 1938 N LYS A 121 -3.032 -1.771 -7.141 1.00 0.22 N ATOM 1939 CA LYS A 121 -3.692 -0.681 -7.911 1.00 0.26 C ATOM 1940 C LYS A 121 -4.991 -1.222 -8.492 1.00 0.35 C ATOM 1941 O LYS A 121 -6.036 -0.610 -8.414 1.00 0.53 O ATOM 1942 CB LYS A 121 -2.772 -0.261 -9.057 1.00 0.20 C ATOM 1943 CG LYS A 121 -2.951 1.227 -9.349 1.00 0.46 C ATOM 1944 CD LYS A 121 -3.467 1.396 -10.778 1.00 0.99 C ATOM 1945 CE LYS A 121 -4.990 1.252 -10.789 1.00 2.58 C ATOM 1946 NZ LYS A 121 -5.537 1.824 -12.052 1.00 3.34 N ATOM 0 H LYS A 121 -2.064 -1.956 -7.402 1.00 0.22 H new ATOM 0 HA LYS A 121 -3.894 0.174 -7.265 1.00 0.26 H new ATOM 0 HB2 LYS A 121 -1.734 -0.467 -8.796 1.00 0.20 H new ATOM 0 HB3 LYS A 121 -2.998 -0.845 -9.949 1.00 0.20 H new ATOM 0 HG2 LYS A 121 -3.653 1.668 -8.641 1.00 0.46 H new ATOM 0 HG3 LYS A 121 -2.003 1.751 -9.227 1.00 0.46 H new ATOM 0 HD2 LYS A 121 -3.180 2.373 -11.167 1.00 0.99 H new ATOM 0 HD3 LYS A 121 -3.015 0.649 -11.430 1.00 0.99 H new ATOM 0 HE2 LYS A 121 -5.267 0.201 -10.704 1.00 2.58 H new ATOM 0 HE3 LYS A 121 -5.420 1.765 -9.929 1.00 2.58 H new ATOM 0 HZ1 LYS A 121 -6.572 1.725 -12.058 1.00 3.34 H new ATOM 0 HZ2 LYS A 121 -5.285 2.831 -12.115 1.00 3.34 H new ATOM 0 HZ3 LYS A 121 -5.136 1.315 -12.866 1.00 3.34 H new ATOM 1960 N THR A 122 -4.915 -2.376 -9.076 1.00 0.25 N ATOM 1961 CA THR A 122 -6.124 -3.004 -9.677 1.00 0.35 C ATOM 1962 C THR A 122 -7.210 -3.149 -8.604 1.00 0.50 C ATOM 1963 O THR A 122 -8.366 -2.838 -8.817 1.00 0.64 O ATOM 1964 CB THR A 122 -5.763 -4.393 -10.239 1.00 0.25 C ATOM 1965 OG1 THR A 122 -4.398 -4.686 -9.998 1.00 0.05 O ATOM 1966 CG2 THR A 122 -6.016 -4.409 -11.743 1.00 0.43 C ATOM 0 H THR A 122 -4.058 -2.922 -9.166 1.00 0.25 H new ATOM 0 HA THR A 122 -6.494 -2.375 -10.486 1.00 0.35 H new ATOM 0 HB THR A 122 -6.381 -5.143 -9.744 1.00 0.25 H new ATOM 0 HG1 THR A 122 -3.835 -4.074 -10.517 1.00 0.05 H new ATOM 0 HG21 THR A 122 -5.762 -5.390 -12.144 1.00 0.43 H new ATOM 0 HG22 THR A 122 -7.068 -4.199 -11.937 1.00 0.43 H new ATOM 0 HG23 THR A 122 -5.399 -3.649 -12.224 1.00 0.43 H new ATOM 1974 N ILE A 123 -6.833 -3.632 -7.456 1.00 0.51 N ATOM 1975 CA ILE A 123 -7.808 -3.830 -6.341 1.00 0.73 C ATOM 1976 C ILE A 123 -8.471 -2.508 -5.934 1.00 0.77 C ATOM 1977 O ILE A 123 -9.593 -2.489 -5.470 1.00 1.07 O ATOM 1978 CB ILE A 123 -7.048 -4.386 -5.135 1.00 0.81 C ATOM 1979 CG1 ILE A 123 -6.629 -5.833 -5.414 1.00 0.84 C ATOM 1980 CG2 ILE A 123 -7.936 -4.332 -3.890 1.00 1.08 C ATOM 1981 CD1 ILE A 123 -7.573 -6.798 -4.691 1.00 1.72 C ATOM 0 H ILE A 123 -5.875 -3.904 -7.236 1.00 0.51 H new ATOM 0 HA ILE A 123 -8.587 -4.515 -6.675 1.00 0.73 H new ATOM 0 HB ILE A 123 -6.158 -3.781 -4.961 1.00 0.81 H new ATOM 0 HG12 ILE A 123 -6.649 -6.026 -6.487 1.00 0.84 H new ATOM 0 HG13 ILE A 123 -5.604 -5.995 -5.080 1.00 0.84 H new ATOM 0 HG21 ILE A 123 -7.389 -4.729 -3.035 1.00 1.08 H new ATOM 0 HG22 ILE A 123 -8.220 -3.299 -3.690 1.00 1.08 H new ATOM 0 HG23 ILE A 123 -8.832 -4.929 -4.056 1.00 1.08 H new ATOM 0 HD11 ILE A 123 -7.269 -7.825 -4.894 1.00 1.72 H new ATOM 0 HD12 ILE A 123 -7.531 -6.612 -3.618 1.00 1.72 H new ATOM 0 HD13 ILE A 123 -8.592 -6.644 -5.046 1.00 1.72 H new ATOM 1993 N MET A 124 -7.776 -1.414 -6.064 1.00 0.49 N ATOM 1994 CA MET A 124 -8.351 -0.098 -5.641 1.00 0.55 C ATOM 1995 C MET A 124 -9.393 0.397 -6.641 1.00 0.72 C ATOM 1996 O MET A 124 -10.442 0.873 -6.265 1.00 0.89 O ATOM 1997 CB MET A 124 -7.240 0.950 -5.548 1.00 0.31 C ATOM 1998 CG MET A 124 -6.078 0.422 -4.704 1.00 0.74 C ATOM 1999 SD MET A 124 -6.300 0.924 -2.982 1.00 0.56 S ATOM 2000 CE MET A 124 -6.054 2.692 -3.231 1.00 0.44 C ATOM 0 H MET A 124 -6.831 -1.370 -6.446 1.00 0.49 H new ATOM 0 HA MET A 124 -8.825 -0.242 -4.670 1.00 0.55 H new ATOM 0 HB2 MET A 124 -6.886 1.204 -6.547 1.00 0.31 H new ATOM 0 HB3 MET A 124 -7.632 1.866 -5.106 1.00 0.31 H new ATOM 0 HG2 MET A 124 -6.030 -0.665 -4.773 1.00 0.74 H new ATOM 0 HG3 MET A 124 -5.133 0.808 -5.087 1.00 0.74 H new ATOM 0 HE1 MET A 124 -5.408 3.084 -2.445 1.00 0.44 H new ATOM 0 HE2 MET A 124 -5.588 2.861 -4.202 1.00 0.44 H new ATOM 0 HE3 MET A 124 -7.017 3.202 -3.197 1.00 0.44 H new ATOM 2010 N ARG A 125 -9.104 0.326 -7.905 1.00 0.73 N ATOM 2011 CA ARG A 125 -10.072 0.837 -8.918 1.00 0.96 C ATOM 2012 C ARG A 125 -11.311 -0.063 -9.003 1.00 1.19 C ATOM 2013 O ARG A 125 -12.357 0.363 -9.443 1.00 1.24 O ATOM 2014 CB ARG A 125 -9.389 0.882 -10.287 1.00 1.04 C ATOM 2015 CG ARG A 125 -10.041 1.962 -11.151 1.00 1.26 C ATOM 2016 CD ARG A 125 -10.859 1.301 -12.261 1.00 2.62 C ATOM 2017 NE ARG A 125 -12.086 2.108 -12.520 1.00 3.80 N ATOM 2018 CZ ARG A 125 -12.812 1.909 -13.596 1.00 4.88 C ATOM 2019 NH1 ARG A 125 -12.498 0.979 -14.468 1.00 5.11 N ATOM 2020 NH2 ARG A 125 -13.868 2.646 -13.798 1.00 6.00 N ATOM 0 H ARG A 125 -8.241 -0.063 -8.285 1.00 0.73 H new ATOM 0 HA ARG A 125 -10.391 1.835 -8.618 1.00 0.96 H new ATOM 0 HB2 ARG A 125 -8.326 1.091 -10.167 1.00 1.04 H new ATOM 0 HB3 ARG A 125 -9.470 -0.088 -10.777 1.00 1.04 H new ATOM 0 HG2 ARG A 125 -10.684 2.594 -10.538 1.00 1.26 H new ATOM 0 HG3 ARG A 125 -9.277 2.608 -11.583 1.00 1.26 H new ATOM 0 HD2 ARG A 125 -10.263 1.223 -13.170 1.00 2.62 H new ATOM 0 HD3 ARG A 125 -11.132 0.286 -11.971 1.00 2.62 H new ATOM 0 HE ARG A 125 -12.366 2.826 -11.851 1.00 3.80 H new ATOM 0 HH11 ARG A 125 -11.676 0.394 -14.316 1.00 5.11 H new ATOM 0 HH12 ARG A 125 -13.076 0.841 -15.297 1.00 5.11 H new ATOM 0 HH21 ARG A 125 -14.123 3.368 -13.124 1.00 6.00 H new ATOM 0 HH22 ARG A 125 -14.440 2.501 -14.630 1.00 6.00 H new ATOM 2034 N GLU A 126 -11.200 -1.307 -8.626 1.00 1.37 N ATOM 2035 CA GLU A 126 -12.377 -2.223 -8.736 1.00 1.62 C ATOM 2036 C GLU A 126 -13.225 -2.254 -7.450 1.00 1.79 C ATOM 2037 O GLU A 126 -14.434 -2.379 -7.507 1.00 2.09 O ATOM 2038 CB GLU A 126 -11.875 -3.636 -9.037 1.00 1.54 C ATOM 2039 CG GLU A 126 -12.603 -4.182 -10.266 1.00 1.45 C ATOM 2040 CD GLU A 126 -12.185 -5.634 -10.509 1.00 1.69 C ATOM 2041 OE1 GLU A 126 -11.605 -6.222 -9.611 1.00 2.45 O ATOM 2042 OE2 GLU A 126 -12.452 -6.133 -11.589 1.00 1.54 O ATOM 0 H GLU A 126 -10.352 -1.730 -8.248 1.00 1.37 H new ATOM 0 HA GLU A 126 -13.014 -1.849 -9.538 1.00 1.62 H new ATOM 0 HB2 GLU A 126 -10.800 -3.622 -9.214 1.00 1.54 H new ATOM 0 HB3 GLU A 126 -12.048 -4.286 -8.179 1.00 1.54 H new ATOM 0 HG2 GLU A 126 -13.681 -4.124 -10.118 1.00 1.45 H new ATOM 0 HG3 GLU A 126 -12.368 -3.574 -11.140 1.00 1.45 H new ATOM 2049 N LYS A 127 -12.614 -2.201 -6.299 1.00 1.66 N ATOM 2050 CA LYS A 127 -13.406 -2.294 -5.028 1.00 1.91 C ATOM 2051 C LYS A 127 -13.847 -0.920 -4.496 1.00 1.96 C ATOM 2052 O LYS A 127 -14.837 -0.819 -3.798 1.00 2.27 O ATOM 2053 CB LYS A 127 -12.548 -2.986 -3.969 1.00 1.88 C ATOM 2054 CG LYS A 127 -12.508 -4.488 -4.251 1.00 1.96 C ATOM 2055 CD LYS A 127 -12.653 -5.256 -2.935 1.00 2.71 C ATOM 2056 CE LYS A 127 -11.853 -6.557 -3.016 1.00 3.23 C ATOM 2057 NZ LYS A 127 -12.597 -7.543 -3.848 1.00 2.56 N ATOM 0 H LYS A 127 -11.606 -2.098 -6.178 1.00 1.66 H new ATOM 0 HA LYS A 127 -14.311 -2.861 -5.244 1.00 1.91 H new ATOM 0 HB2 LYS A 127 -11.538 -2.576 -3.978 1.00 1.88 H new ATOM 0 HB3 LYS A 127 -12.958 -2.802 -2.976 1.00 1.88 H new ATOM 0 HG2 LYS A 127 -13.311 -4.762 -4.935 1.00 1.96 H new ATOM 0 HG3 LYS A 127 -11.570 -4.753 -4.738 1.00 1.96 H new ATOM 0 HD2 LYS A 127 -12.295 -4.647 -2.105 1.00 2.71 H new ATOM 0 HD3 LYS A 127 -13.703 -5.473 -2.742 1.00 2.71 H new ATOM 0 HE2 LYS A 127 -10.871 -6.367 -3.449 1.00 3.23 H new ATOM 0 HE3 LYS A 127 -11.688 -6.959 -2.016 1.00 3.23 H new ATOM 0 HZ1 LYS A 127 -12.055 -8.429 -3.905 1.00 2.56 H new ATOM 0 HZ2 LYS A 127 -13.524 -7.732 -3.417 1.00 2.56 H new ATOM 0 HZ3 LYS A 127 -12.732 -7.158 -4.805 1.00 2.56 H new ATOM 2071 N TYR A 128 -13.126 0.128 -4.775 1.00 1.67 N ATOM 2072 CA TYR A 128 -13.528 1.461 -4.227 1.00 1.73 C ATOM 2073 C TYR A 128 -14.803 1.992 -4.907 1.00 2.18 C ATOM 2074 O TYR A 128 -15.343 3.002 -4.501 1.00 2.44 O ATOM 2075 CB TYR A 128 -12.379 2.458 -4.412 1.00 1.10 C ATOM 2076 CG TYR A 128 -12.566 3.242 -5.688 1.00 1.08 C ATOM 2077 CD1 TYR A 128 -12.558 2.580 -6.921 1.00 1.99 C ATOM 2078 CD2 TYR A 128 -12.732 4.631 -5.639 1.00 2.63 C ATOM 2079 CE1 TYR A 128 -12.717 3.307 -8.106 1.00 3.75 C ATOM 2080 CE2 TYR A 128 -12.888 5.358 -6.825 1.00 4.23 C ATOM 2081 CZ TYR A 128 -12.881 4.695 -8.059 1.00 4.71 C ATOM 2082 OH TYR A 128 -13.032 5.409 -9.231 1.00 6.53 O ATOM 0 H TYR A 128 -12.285 0.125 -5.351 1.00 1.67 H new ATOM 0 HA TYR A 128 -13.745 1.341 -3.166 1.00 1.73 H new ATOM 0 HB2 TYR A 128 -12.339 3.139 -3.562 1.00 1.10 H new ATOM 0 HB3 TYR A 128 -11.428 1.926 -4.440 1.00 1.10 H new ATOM 0 HD1 TYR A 128 -12.429 1.508 -6.958 1.00 1.99 H new ATOM 0 HD2 TYR A 128 -12.740 5.141 -4.687 1.00 2.63 H new ATOM 0 HE1 TYR A 128 -12.713 2.796 -9.057 1.00 3.75 H new ATOM 0 HE2 TYR A 128 -13.014 6.430 -6.789 1.00 4.23 H new ATOM 0 HH TYR A 128 -13.136 6.361 -9.023 1.00 6.53 H new