USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1119 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 13 LYS NZ :NH3+ 158:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 122 CYS SG : rot 140:sc= 1.02 USER MOD Set 2.1: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 170:sc= 0.379 (180deg=0.331) USER MOD Set 3.1: A 59 HIS : no HD1:sc= -0.243 K(o=-0.48,f=0.48) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= -0.233 USER MOD Set 4.1: A 48 GLN : amide:sc= -1.39! K(o=-1.6!,f=1.4) USER MOD Set 4.2: A 74 TYR OH : rot 180:sc= -0.202 USER MOD Set 5.1: A 32 THR OG1 : rot 86:sc= 1.2 USER MOD Set 5.2: A 33 HIS : no HD1:sc= 1.71 K(o=2.9,f=-7.5!) USER MOD Set 6.1: A 18 HIS : no HD1:sc= 0.12 K(o=1.8,f=-2.1!) USER MOD Set 6.2: A 105 TYR OH : rot -13:sc= 0.653 USER MOD Set 6.3: A 119 HIS : no HD1:sc= 1.07 K(o=1.8,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0764) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 36 MET CE :methyl 170:sc= -1.07 (180deg=-1.57!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 45 SER OG : rot 3:sc= 0.27 USER MOD Single : A 46 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.078) USER MOD Single : A 49 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.36) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0.986 K(o=0.99,f=-5.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -103:sc= -1.46 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 146:sc= 1.29 (180deg=1.11) USER MOD Single : A 79 SER OG : rot 81:sc= 0.675 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -3.82! C(o=-3.8!,f=-7.1!) USER MOD Single : A 95 LYS NZ :NH3+ -134:sc= -0.514 (180deg=-2.3!) USER MOD Single : A 110 HIS : no HD1:sc= -0.442 K(o=-0.44,f=-1.1) USER MOD Single : A 118 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.7) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc=-0.00518 USER MOD Single : A 128 ASN : amide:sc= -0.323 K(o=-0.32,f=-1.1) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 137 LYS NZ :NH3+ 165:sc= 0.0544 (180deg=-0.347) USER MOD Single : A 140 LYS NZ :NH3+ -160:sc= -0.0499 (180deg=-0.577) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.183 3.184 8.138 1.00 0.00 N ATOM 100 CA ALA A 9 21.868 2.623 7.903 1.00 0.00 C ATOM 101 C ALA A 9 21.098 3.510 6.939 1.00 0.00 C ATOM 102 O ALA A 9 20.924 4.705 7.189 1.00 0.00 O ATOM 103 CB ALA A 9 21.112 2.469 9.217 1.00 0.00 C ATOM 0 HA ALA A 9 21.976 1.633 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.126 2.046 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.667 1.805 9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 9 21.001 3.445 9.690 1.00 0.00 H new ATOM 109 N VAL A 10 20.649 2.932 5.839 1.00 0.00 N ATOM 110 CA VAL A 10 19.883 3.674 4.855 1.00 0.00 C ATOM 111 C VAL A 10 18.405 3.397 5.065 1.00 0.00 C ATOM 112 O VAL A 10 17.981 2.241 5.088 1.00 0.00 O ATOM 113 CB VAL A 10 20.285 3.311 3.409 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.558 4.199 2.415 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.792 3.416 3.211 1.00 0.00 C ATOM 0 H VAL A 10 20.802 1.951 5.605 1.00 0.00 H new ATOM 0 HA VAL A 10 20.094 4.734 4.992 1.00 0.00 H new ATOM 0 HB VAL A 10 19.994 2.276 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.854 3.929 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.482 4.065 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.815 5.241 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.043 3.154 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.116 4.437 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.297 2.732 3.893 1.00 0.00 H new ATOM 125 N GLN A 11 17.633 4.453 5.262 1.00 0.00 N ATOM 126 CA GLN A 11 16.215 4.307 5.541 1.00 0.00 C ATOM 127 C GLN A 11 15.396 4.700 4.331 1.00 0.00 C ATOM 128 O GLN A 11 15.591 5.767 3.746 1.00 0.00 O ATOM 129 CB GLN A 11 15.782 5.177 6.735 1.00 0.00 C ATOM 130 CG GLN A 11 16.692 5.122 7.955 1.00 0.00 C ATOM 131 CD GLN A 11 16.596 6.375 8.797 1.00 0.00 C ATOM 132 OE1 GLN A 11 15.548 7.020 8.852 1.00 0.00 O ATOM 133 NE2 GLN A 11 17.678 6.728 9.463 1.00 0.00 N ATOM 0 H GLN A 11 17.963 5.418 5.234 1.00 0.00 H new ATOM 0 HA GLN A 11 16.041 3.259 5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.714 6.212 6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.780 4.874 7.038 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.429 4.257 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.723 4.982 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 11 18.527 6.167 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 11 17.666 7.562 10.050 1.00 0.00 H new ATOM 142 N VAL A 12 14.472 3.835 3.975 1.00 0.00 N ATOM 143 CA VAL A 12 13.556 4.103 2.901 1.00 0.00 C ATOM 144 C VAL A 12 12.189 4.413 3.494 1.00 0.00 C ATOM 145 O VAL A 12 11.828 3.866 4.541 1.00 0.00 O ATOM 146 CB VAL A 12 13.481 2.897 1.945 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.813 2.695 1.239 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.112 1.652 2.706 1.00 0.00 C ATOM 0 H VAL A 12 14.339 2.929 4.424 1.00 0.00 H new ATOM 0 HA VAL A 12 13.902 4.960 2.323 1.00 0.00 H new ATOM 0 HB VAL A 12 12.714 3.097 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.743 1.839 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.059 3.588 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.593 2.513 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.062 0.807 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.865 1.455 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.141 1.791 3.182 1.00 0.00 H new ATOM 158 N LYS A 13 11.440 5.302 2.864 1.00 0.00 N ATOM 159 CA LYS A 13 10.163 5.720 3.428 1.00 0.00 C ATOM 160 C LYS A 13 9.045 5.332 2.475 1.00 0.00 C ATOM 161 O LYS A 13 8.994 5.812 1.347 1.00 0.00 O ATOM 162 CB LYS A 13 10.140 7.243 3.704 1.00 0.00 C ATOM 163 CG LYS A 13 8.940 7.718 4.508 1.00 0.00 C ATOM 164 CD LYS A 13 9.231 9.073 5.139 1.00 0.00 C ATOM 165 CE LYS A 13 7.989 9.722 5.725 1.00 0.00 C ATOM 166 NZ LYS A 13 7.149 10.373 4.683 1.00 0.00 N ATOM 0 H LYS A 13 11.686 5.743 1.978 1.00 0.00 H new ATOM 0 HA LYS A 13 10.019 5.215 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.050 7.517 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.156 7.773 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.066 7.790 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.703 6.991 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.978 8.952 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.662 9.735 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.399 8.968 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.285 10.464 6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.174 10.468 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.533 11.315 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.152 9.791 3.821 1.00 0.00 H new ATOM 180 N LEU A 14 8.175 4.435 2.905 1.00 0.00 N ATOM 181 CA LEU A 14 7.026 4.071 2.105 1.00 0.00 C ATOM 182 C LEU A 14 5.770 4.616 2.760 1.00 0.00 C ATOM 183 O LEU A 14 5.678 4.702 3.980 1.00 0.00 O ATOM 184 CB LEU A 14 6.937 2.559 1.929 1.00 0.00 C ATOM 185 CG LEU A 14 8.106 1.927 1.163 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.991 0.420 1.183 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.141 2.418 -0.276 1.00 0.00 C ATOM 0 H LEU A 14 8.244 3.949 3.799 1.00 0.00 H new ATOM 0 HA LEU A 14 7.131 4.506 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.875 2.096 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.010 2.323 1.407 1.00 0.00 H new ATOM 0 HG LEU A 14 9.032 2.225 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.827 -0.016 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.009 0.067 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.054 0.120 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.979 1.955 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.210 2.150 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.260 3.501 -0.288 1.00 0.00 H new ATOM 199 N GLU A 15 4.820 4.990 1.945 1.00 0.00 N ATOM 200 CA GLU A 15 3.652 5.711 2.402 1.00 0.00 C ATOM 201 C GLU A 15 2.377 4.950 2.063 1.00 0.00 C ATOM 202 O GLU A 15 2.181 4.530 0.922 1.00 0.00 O ATOM 203 CB GLU A 15 3.658 7.095 1.743 1.00 0.00 C ATOM 204 CG GLU A 15 2.576 8.043 2.222 1.00 0.00 C ATOM 205 CD GLU A 15 2.758 9.441 1.661 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.232 9.726 0.566 1.00 0.00 O ATOM 207 OE2 GLU A 15 3.445 10.260 2.310 1.00 0.00 O ATOM 0 H GLU A 15 4.830 4.805 0.942 1.00 0.00 H new ATOM 0 HA GLU A 15 3.681 5.818 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.629 7.559 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.556 6.967 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.600 7.658 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.586 8.085 3.311 1.00 0.00 H new ATOM 214 N LEU A 16 1.536 4.751 3.070 1.00 0.00 N ATOM 215 CA LEU A 16 0.214 4.179 2.861 1.00 0.00 C ATOM 216 C LEU A 16 -0.802 5.296 2.833 1.00 0.00 C ATOM 217 O LEU A 16 -0.806 6.165 3.708 1.00 0.00 O ATOM 218 CB LEU A 16 -0.210 3.210 3.968 1.00 0.00 C ATOM 219 CG LEU A 16 0.504 1.858 4.056 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.588 1.194 2.704 1.00 0.00 C ATOM 221 CD2 LEU A 16 1.881 2.013 4.656 1.00 0.00 C ATOM 0 H LEU A 16 1.748 4.978 4.042 1.00 0.00 H new ATOM 0 HA LEU A 16 0.260 3.626 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.080 3.718 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.276 3.017 3.852 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.086 1.216 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.100 0.237 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.417 1.030 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.142 1.835 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.367 1.039 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.475 2.683 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.796 2.430 5.660 1.00 0.00 H new ATOM 233 N GLY A 17 -1.669 5.255 1.858 1.00 0.00 N ATOM 234 CA GLY A 17 -2.718 6.244 1.763 1.00 0.00 C ATOM 235 C GLY A 17 -3.945 5.678 1.107 1.00 0.00 C ATOM 236 O GLY A 17 -3.846 4.791 0.261 1.00 0.00 O ATOM 0 H GLY A 17 -1.674 4.552 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.970 6.606 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.361 7.102 1.193 1.00 0.00 H new ATOM 240 N HIS A 18 -5.107 6.163 1.504 1.00 0.00 N ATOM 241 CA HIS A 18 -6.351 5.676 0.941 1.00 0.00 C ATOM 242 C HIS A 18 -7.443 6.725 1.086 1.00 0.00 C ATOM 243 O HIS A 18 -7.485 7.469 2.068 1.00 0.00 O ATOM 244 CB HIS A 18 -6.754 4.340 1.611 1.00 0.00 C ATOM 245 CG HIS A 18 -8.012 4.381 2.436 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.069 4.937 3.699 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.265 3.943 2.166 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.301 4.840 4.165 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.042 4.241 3.256 1.00 0.00 N ATOM 0 H HIS A 18 -5.215 6.890 2.211 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.211 5.487 -0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.875 3.586 0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.933 4.012 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.591 3.451 1.262 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.642 5.192 5.127 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.036 4.032 3.348 1.00 0.00 H new ATOM 258 N ARG A 19 -8.313 6.773 0.097 1.00 0.00 N ATOM 259 CA ARG A 19 -9.467 7.649 0.125 1.00 0.00 C ATOM 260 C ARG A 19 -10.722 6.814 -0.046 1.00 0.00 C ATOM 261 O ARG A 19 -10.649 5.697 -0.555 1.00 0.00 O ATOM 262 CB ARG A 19 -9.395 8.685 -0.996 1.00 0.00 C ATOM 263 CG ARG A 19 -8.123 9.513 -1.017 1.00 0.00 C ATOM 264 CD ARG A 19 -8.144 10.480 -2.186 1.00 0.00 C ATOM 265 NE ARG A 19 -9.230 11.452 -2.063 1.00 0.00 N ATOM 266 CZ ARG A 19 -9.840 12.042 -3.088 1.00 0.00 C ATOM 267 NH1 ARG A 19 -9.446 11.813 -4.335 1.00 0.00 N ATOM 268 NH2 ARG A 19 -10.847 12.871 -2.856 1.00 0.00 N ATOM 0 H ARG A 19 -8.240 6.206 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.485 8.175 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.494 8.172 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.248 9.357 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.024 10.064 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.255 8.858 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.190 11.005 -2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.257 9.924 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.543 11.695 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.668 11.179 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.922 12.271 -5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.148 13.052 -1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.321 13.328 -3.635 1.00 0.00 H new ATOM 282 N ALA A 20 -11.854 7.339 0.388 1.00 0.00 N ATOM 283 CA ALA A 20 -13.128 6.658 0.204 1.00 0.00 C ATOM 284 C ALA A 20 -14.244 7.657 -0.059 1.00 0.00 C ATOM 285 O ALA A 20 -14.314 8.715 0.584 1.00 0.00 O ATOM 286 CB ALA A 20 -13.479 5.810 1.412 1.00 0.00 C ATOM 0 H ALA A 20 -11.919 8.235 0.871 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.024 6.005 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.435 5.315 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.704 5.059 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.550 6.446 2.295 1.00 0.00 H new ATOM 292 N GLN A 21 -15.105 7.310 -1.004 1.00 0.00 N ATOM 293 CA GLN A 21 -16.277 8.100 -1.325 1.00 0.00 C ATOM 294 C GLN A 21 -17.444 7.163 -1.600 1.00 0.00 C ATOM 295 O GLN A 21 -17.242 5.987 -1.909 1.00 0.00 O ATOM 296 CB GLN A 21 -16.022 8.967 -2.559 1.00 0.00 C ATOM 297 CG GLN A 21 -15.904 8.175 -3.846 1.00 0.00 C ATOM 298 CD GLN A 21 -16.399 8.947 -5.050 1.00 0.00 C ATOM 299 OE1 GLN A 21 -15.632 9.653 -5.707 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.688 8.823 -5.341 1.00 0.00 N ATOM 0 H GLN A 21 -15.007 6.468 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.506 8.753 -0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.833 9.688 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.105 9.537 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.862 7.894 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.473 7.250 -3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.285 8.227 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.082 9.324 -6.138 1.00 0.00 H new ATOM 309 N VAL A 22 -18.655 7.655 -1.459 1.00 0.00 N ATOM 310 CA VAL A 22 -19.812 6.862 -1.812 1.00 0.00 C ATOM 311 C VAL A 22 -20.415 7.358 -3.121 1.00 0.00 C ATOM 312 O VAL A 22 -20.521 8.563 -3.353 1.00 0.00 O ATOM 313 CB VAL A 22 -20.873 6.836 -0.687 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.551 8.183 -0.504 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.896 5.749 -0.956 1.00 0.00 C ATOM 0 H VAL A 22 -18.863 8.589 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.474 5.835 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.356 6.614 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.287 8.114 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.804 8.934 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -22.049 8.469 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.637 5.741 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.391 5.942 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.396 4.781 -0.997 1.00 0.00 H new ATOM 325 N ARG A 23 -20.764 6.428 -3.991 1.00 0.00 N ATOM 326 CA ARG A 23 -21.473 6.776 -5.216 1.00 0.00 C ATOM 327 C ARG A 23 -22.959 6.877 -4.915 1.00 0.00 C ATOM 328 O ARG A 23 -23.486 6.126 -4.090 1.00 0.00 O ATOM 329 CB ARG A 23 -21.210 5.756 -6.335 1.00 0.00 C ATOM 330 CG ARG A 23 -20.813 4.379 -5.830 1.00 0.00 C ATOM 331 CD ARG A 23 -21.320 3.263 -6.731 1.00 0.00 C ATOM 332 NE ARG A 23 -20.995 3.471 -8.141 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.030 2.823 -8.795 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.176 2.045 -8.138 1.00 0.00 N ATOM 335 NH2 ARG A 23 -19.900 2.990 -10.106 1.00 0.00 N ATOM 0 H ARG A 23 -20.572 5.433 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.104 7.738 -5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.107 5.663 -6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.420 6.137 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.727 4.320 -5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.206 4.237 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.892 2.316 -6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.401 3.179 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.543 4.158 -8.659 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.256 1.940 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.441 1.553 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.536 3.611 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.164 2.498 -10.612 1.00 0.00 H new ATOM 349 N LYS A 24 -23.624 7.815 -5.577 1.00 0.00 N ATOM 350 CA LYS A 24 -25.013 8.153 -5.279 1.00 0.00 C ATOM 351 C LYS A 24 -25.961 7.009 -5.637 1.00 0.00 C ATOM 352 O LYS A 24 -27.156 7.058 -5.334 1.00 0.00 O ATOM 353 CB LYS A 24 -25.408 9.424 -6.030 1.00 0.00 C ATOM 354 CG LYS A 24 -26.609 10.134 -5.432 1.00 0.00 C ATOM 355 CD LYS A 24 -26.288 10.701 -4.059 1.00 0.00 C ATOM 356 CE LYS A 24 -27.484 11.416 -3.458 1.00 0.00 C ATOM 357 NZ LYS A 24 -27.145 12.055 -2.159 1.00 0.00 N ATOM 0 H LYS A 24 -23.218 8.363 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.097 8.324 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -24.560 10.108 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -25.626 9.170 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -26.926 10.939 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -27.444 9.438 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -25.974 9.895 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -25.450 11.394 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -27.843 12.174 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -28.298 10.706 -3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -27.986 12.534 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -26.826 11.328 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -26.385 12.751 -2.302 1.00 0.00 H new ATOM 371 N LYS A 25 -25.427 5.992 -6.289 1.00 0.00 N ATOM 372 CA LYS A 25 -26.186 4.794 -6.586 1.00 0.00 C ATOM 373 C LYS A 25 -25.253 3.590 -6.662 1.00 0.00 C ATOM 374 O LYS A 25 -24.286 3.602 -7.428 1.00 0.00 O ATOM 375 CB LYS A 25 -26.944 4.944 -7.897 1.00 0.00 C ATOM 376 CG LYS A 25 -27.889 3.802 -8.145 1.00 0.00 C ATOM 377 CD LYS A 25 -28.803 4.079 -9.308 1.00 0.00 C ATOM 378 CE LYS A 25 -29.641 2.860 -9.632 1.00 0.00 C ATOM 379 NZ LYS A 25 -30.582 2.519 -8.532 1.00 0.00 N ATOM 0 H LYS A 25 -24.464 5.974 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 25 -26.909 4.640 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.504 5.879 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.232 5.009 -8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -27.319 2.893 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.484 3.621 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -29.453 4.922 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -28.214 4.364 -10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -30.204 3.041 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -28.985 2.011 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -31.227 1.767 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -30.044 2.190 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -31.134 3.362 -8.273 1.00 0.00 H new ATOM 393 N PRO A 26 -25.515 2.541 -5.859 1.00 0.00 N ATOM 394 CA PRO A 26 -24.729 1.304 -5.890 1.00 0.00 C ATOM 395 C PRO A 26 -24.757 0.650 -7.260 1.00 0.00 C ATOM 396 O PRO A 26 -25.690 0.851 -8.038 1.00 0.00 O ATOM 397 CB PRO A 26 -25.411 0.400 -4.861 1.00 0.00 C ATOM 398 CG PRO A 26 -26.188 1.319 -3.988 1.00 0.00 C ATOM 399 CD PRO A 26 -26.590 2.478 -4.855 1.00 0.00 C ATOM 0 HA PRO A 26 -23.678 1.491 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -26.063 -0.327 -5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.677 -0.164 -4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -27.064 0.818 -3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.587 1.655 -3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.563 2.315 -5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.660 3.403 -4.283 1.00 0.00 H new ATOM 407 N THR A 27 -23.736 -0.140 -7.545 1.00 0.00 N ATOM 408 CA THR A 27 -23.628 -0.815 -8.828 1.00 0.00 C ATOM 409 C THR A 27 -24.599 -1.993 -8.879 1.00 0.00 C ATOM 410 O THR A 27 -25.317 -2.242 -7.909 1.00 0.00 O ATOM 411 CB THR A 27 -22.173 -1.297 -9.091 1.00 0.00 C ATOM 412 OG1 THR A 27 -22.071 -2.005 -10.335 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.680 -2.186 -7.964 1.00 0.00 C ATOM 0 H THR A 27 -22.967 -0.331 -6.903 1.00 0.00 H new ATOM 0 HA THR A 27 -23.888 -0.104 -9.612 1.00 0.00 H new ATOM 0 HB THR A 27 -21.548 -0.406 -9.143 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.144 -2.293 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.660 -2.508 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.699 -1.630 -7.027 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.327 -3.060 -7.880 1.00 0.00 H new ATOM 421 N VAL A 28 -24.615 -2.705 -9.996 1.00 0.00 N ATOM 422 CA VAL A 28 -25.495 -3.856 -10.190 1.00 0.00 C ATOM 423 C VAL A 28 -25.464 -4.821 -8.999 1.00 0.00 C ATOM 424 O VAL A 28 -26.498 -5.349 -8.587 1.00 0.00 O ATOM 425 CB VAL A 28 -25.119 -4.604 -11.486 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.618 -4.854 -11.556 1.00 0.00 C ATOM 427 CG2 VAL A 28 -25.891 -5.910 -11.605 1.00 0.00 C ATOM 0 H VAL A 28 -24.018 -2.503 -10.798 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.512 -3.472 -10.272 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.395 -3.971 -12.329 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -23.380 -5.383 -12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.089 -3.901 -11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.309 -5.458 -10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.607 -6.418 -12.527 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.659 -6.549 -10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -26.961 -5.700 -11.620 1.00 0.00 H new ATOM 437 N GLU A 29 -24.285 -5.018 -8.429 1.00 0.00 N ATOM 438 CA GLU A 29 -24.113 -5.980 -7.350 1.00 0.00 C ATOM 439 C GLU A 29 -24.242 -5.317 -5.976 1.00 0.00 C ATOM 440 O GLU A 29 -23.985 -5.944 -4.948 1.00 0.00 O ATOM 441 CB GLU A 29 -22.764 -6.676 -7.503 1.00 0.00 C ATOM 442 CG GLU A 29 -22.609 -7.358 -8.860 1.00 0.00 C ATOM 443 CD GLU A 29 -21.263 -8.022 -9.035 1.00 0.00 C ATOM 444 OE1 GLU A 29 -20.303 -7.325 -9.419 1.00 0.00 O ATOM 445 OE2 GLU A 29 -21.160 -9.248 -8.806 1.00 0.00 O ATOM 0 H GLU A 29 -23.433 -4.525 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.908 -6.723 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.965 -5.946 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.649 -7.417 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -23.395 -8.104 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.750 -6.620 -9.650 1.00 0.00 H new ATOM 452 N GLY A 30 -24.631 -4.047 -5.970 1.00 0.00 N ATOM 453 CA GLY A 30 -24.970 -3.367 -4.733 1.00 0.00 C ATOM 454 C GLY A 30 -23.766 -2.873 -3.962 1.00 0.00 C ATOM 455 O GLY A 30 -23.778 -2.838 -2.732 1.00 0.00 O ATOM 0 H GLY A 30 -24.718 -3.472 -6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.618 -2.520 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.542 -4.046 -4.100 1.00 0.00 H new ATOM 459 N PHE A 31 -22.729 -2.483 -4.680 1.00 0.00 N ATOM 460 CA PHE A 31 -21.549 -1.907 -4.055 1.00 0.00 C ATOM 461 C PHE A 31 -21.730 -0.393 -3.962 1.00 0.00 C ATOM 462 O PHE A 31 -21.932 0.276 -4.979 1.00 0.00 O ATOM 463 CB PHE A 31 -20.286 -2.261 -4.851 1.00 0.00 C ATOM 464 CG PHE A 31 -20.117 -3.739 -5.134 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.626 -4.701 -4.273 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.441 -4.163 -6.268 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.464 -6.048 -4.537 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.277 -5.508 -6.537 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.789 -6.451 -5.670 1.00 0.00 C ATOM 0 H PHE A 31 -22.678 -2.554 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.428 -2.318 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.306 -1.722 -5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.414 -1.907 -4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.156 -4.393 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -19.037 -3.431 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.866 -6.784 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.748 -5.821 -7.425 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.661 -7.503 -5.878 1.00 0.00 H new ATOM 479 N THR A 32 -21.687 0.133 -2.746 1.00 0.00 N ATOM 480 CA THR A 32 -22.022 1.533 -2.492 1.00 0.00 C ATOM 481 C THR A 32 -20.782 2.423 -2.377 1.00 0.00 C ATOM 482 O THR A 32 -20.785 3.573 -2.815 1.00 0.00 O ATOM 483 CB THR A 32 -22.845 1.671 -1.195 1.00 0.00 C ATOM 484 OG1 THR A 32 -22.094 1.203 -0.065 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.137 0.902 -1.292 1.00 0.00 C ATOM 0 H THR A 32 -21.422 -0.391 -1.912 1.00 0.00 H new ATOM 0 HA THR A 32 -22.607 1.865 -3.350 1.00 0.00 H new ATOM 0 HB THR A 32 -23.073 2.728 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.536 1.931 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.699 1.016 -0.365 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.728 1.286 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.921 -0.153 -1.458 1.00 0.00 H new ATOM 493 N HIS A 33 -19.728 1.886 -1.790 1.00 0.00 N ATOM 494 CA HIS A 33 -18.559 2.678 -1.428 1.00 0.00 C ATOM 495 C HIS A 33 -17.378 2.381 -2.335 1.00 0.00 C ATOM 496 O HIS A 33 -16.979 1.232 -2.490 1.00 0.00 O ATOM 497 CB HIS A 33 -18.184 2.406 0.032 1.00 0.00 C ATOM 498 CG HIS A 33 -18.974 3.207 1.018 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.253 2.881 1.416 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.644 4.322 1.707 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.670 3.761 2.310 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.711 4.647 2.505 1.00 0.00 N ATOM 0 H HIS A 33 -19.655 0.897 -1.551 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.812 3.731 -1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.326 1.346 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.124 2.619 0.171 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.710 4.860 1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.633 3.756 2.799 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.756 5.441 3.143 1.00 0.00 H new ATOM 511 N ASP A 34 -16.816 3.429 -2.914 1.00 0.00 N ATOM 512 CA ASP A 34 -15.656 3.306 -3.780 1.00 0.00 C ATOM 513 C ASP A 34 -14.453 3.904 -3.087 1.00 0.00 C ATOM 514 O ASP A 34 -14.540 4.985 -2.497 1.00 0.00 O ATOM 515 CB ASP A 34 -15.889 4.014 -5.118 1.00 0.00 C ATOM 516 CG ASP A 34 -16.762 3.216 -6.065 1.00 0.00 C ATOM 517 OD1 ASP A 34 -17.956 3.024 -5.764 1.00 0.00 O ATOM 518 OD2 ASP A 34 -16.259 2.790 -7.128 1.00 0.00 O ATOM 0 H ASP A 34 -17.150 4.386 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.482 2.249 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.353 4.983 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.927 4.206 -5.594 1.00 0.00 H new ATOM 523 N TRP A 35 -13.339 3.210 -3.138 1.00 0.00 N ATOM 524 CA TRP A 35 -12.150 3.674 -2.460 1.00 0.00 C ATOM 525 C TRP A 35 -10.908 3.488 -3.313 1.00 0.00 C ATOM 526 O TRP A 35 -10.915 2.751 -4.302 1.00 0.00 O ATOM 527 CB TRP A 35 -11.989 2.975 -1.104 1.00 0.00 C ATOM 528 CG TRP A 35 -12.056 1.473 -1.153 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.130 0.679 -0.844 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.988 0.587 -1.507 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.787 -0.647 -0.994 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.478 -0.728 -1.397 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.660 0.779 -1.905 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.686 -1.842 -1.672 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.876 -0.328 -2.173 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.389 -1.621 -2.055 1.00 0.00 C ATOM 0 H TRP A 35 -13.231 2.328 -3.638 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.269 4.743 -2.285 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.032 3.267 -0.672 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.766 3.337 -0.431 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -14.099 1.039 -0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.407 -1.441 -0.832 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.254 1.775 -2.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.081 -2.844 -1.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.849 -0.190 -2.479 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.750 -2.465 -2.270 1.00 0.00 H new ATOM 547 N MET A 36 -9.852 4.177 -2.924 1.00 0.00 N ATOM 548 CA MET A 36 -8.582 4.119 -3.624 1.00 0.00 C ATOM 549 C MET A 36 -7.435 4.073 -2.626 1.00 0.00 C ATOM 550 O MET A 36 -7.414 4.839 -1.666 1.00 0.00 O ATOM 551 CB MET A 36 -8.409 5.343 -4.529 1.00 0.00 C ATOM 552 CG MET A 36 -7.032 5.428 -5.173 1.00 0.00 C ATOM 553 SD MET A 36 -6.702 7.034 -5.905 1.00 0.00 S ATOM 554 CE MET A 36 -6.692 8.013 -4.411 1.00 0.00 C ATOM 0 H MET A 36 -9.850 4.794 -2.112 1.00 0.00 H new ATOM 0 HA MET A 36 -8.573 3.217 -4.235 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.167 5.317 -5.312 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.585 6.246 -3.944 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.271 5.213 -4.422 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.948 4.660 -5.941 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.327 9.015 -4.635 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.704 8.076 -4.011 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.039 7.546 -3.674 1.00 0.00 H new ATOM 564 N VAL A 37 -6.502 3.168 -2.851 1.00 0.00 N ATOM 565 CA VAL A 37 -5.284 3.087 -2.050 1.00 0.00 C ATOM 566 C VAL A 37 -4.080 3.473 -2.883 1.00 0.00 C ATOM 567 O VAL A 37 -4.035 3.164 -4.066 1.00 0.00 O ATOM 568 CB VAL A 37 -5.057 1.666 -1.509 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.746 1.485 -0.185 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.560 0.635 -2.504 1.00 0.00 C ATOM 0 H VAL A 37 -6.561 2.468 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.406 3.775 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.986 1.523 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.573 0.473 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.349 2.203 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.817 1.648 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.392 -0.366 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.626 0.784 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.023 0.746 -3.446 1.00 0.00 H new ATOM 580 N PHE A 38 -3.115 4.150 -2.278 1.00 0.00 N ATOM 581 CA PHE A 38 -1.888 4.483 -2.969 1.00 0.00 C ATOM 582 C PHE A 38 -0.684 4.289 -2.046 1.00 0.00 C ATOM 583 O PHE A 38 -0.634 4.809 -0.929 1.00 0.00 O ATOM 584 CB PHE A 38 -1.979 5.917 -3.575 1.00 0.00 C ATOM 585 CG PHE A 38 -1.890 7.069 -2.611 1.00 0.00 C ATOM 586 CD1 PHE A 38 -0.660 7.532 -2.197 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.031 7.716 -2.164 1.00 0.00 C ATOM 588 CE1 PHE A 38 -0.554 8.612 -1.350 1.00 0.00 C ATOM 589 CE2 PHE A 38 -2.939 8.798 -1.310 1.00 0.00 C ATOM 590 CZ PHE A 38 -1.700 9.249 -0.902 1.00 0.00 C ATOM 0 H PHE A 38 -3.162 4.477 -1.313 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.744 3.802 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.181 6.026 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.922 5.998 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.236 7.039 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.002 7.371 -2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.418 8.961 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.835 9.290 -0.962 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.624 10.096 -0.236 1.00 0.00 H new ATOM 600 N VAL A 39 0.238 3.455 -2.511 1.00 0.00 N ATOM 601 CA VAL A 39 1.487 3.172 -1.823 1.00 0.00 C ATOM 602 C VAL A 39 2.636 3.805 -2.604 1.00 0.00 C ATOM 603 O VAL A 39 2.669 3.715 -3.829 1.00 0.00 O ATOM 604 CB VAL A 39 1.695 1.651 -1.724 1.00 0.00 C ATOM 605 CG1 VAL A 39 0.799 1.082 -0.645 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.384 0.995 -3.049 1.00 0.00 C ATOM 0 H VAL A 39 0.135 2.949 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 39 1.456 3.587 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 39 2.736 1.452 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.949 0.004 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.044 1.543 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.243 1.288 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.535 -0.081 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.348 1.196 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.045 1.396 -3.818 1.00 0.00 H new ATOM 616 N ARG A 40 3.567 4.454 -1.920 1.00 0.00 N ATOM 617 CA ARG A 40 4.621 5.197 -2.611 1.00 0.00 C ATOM 618 C ARG A 40 5.696 5.652 -1.639 1.00 0.00 C ATOM 619 O ARG A 40 5.686 5.281 -0.476 1.00 0.00 O ATOM 620 CB ARG A 40 4.055 6.439 -3.313 1.00 0.00 C ATOM 621 CG ARG A 40 3.565 7.507 -2.340 1.00 0.00 C ATOM 622 CD ARG A 40 3.489 8.880 -2.989 1.00 0.00 C ATOM 623 NE ARG A 40 3.273 9.934 -1.998 1.00 0.00 N ATOM 624 CZ ARG A 40 3.697 11.187 -2.145 1.00 0.00 C ATOM 625 NH1 ARG A 40 4.320 11.564 -3.255 1.00 0.00 N ATOM 626 NH2 ARG A 40 3.489 12.074 -1.183 1.00 0.00 N ATOM 0 H ARG A 40 3.618 4.484 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 40 5.051 4.520 -3.349 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.824 6.867 -3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.230 6.139 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.581 7.229 -1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.235 7.549 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.412 9.077 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.679 8.894 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 40 2.768 9.695 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.478 10.891 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.641 12.527 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.004 11.797 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.814 13.034 -1.296 1.00 0.00 H new ATOM 640 N GLY A 41 6.634 6.439 -2.149 1.00 0.00 N ATOM 641 CA GLY A 41 7.635 7.059 -1.308 1.00 0.00 C ATOM 642 C GLY A 41 7.411 8.557 -1.188 1.00 0.00 C ATOM 643 O GLY A 41 6.584 9.114 -1.911 1.00 0.00 O ATOM 0 H GLY A 41 6.718 6.660 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.611 6.606 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.626 6.870 -1.721 1.00 0.00 H new ATOM 647 N PRO A 42 8.135 9.229 -0.279 1.00 0.00 N ATOM 648 CA PRO A 42 8.018 10.681 -0.051 1.00 0.00 C ATOM 649 C PRO A 42 8.253 11.526 -1.296 1.00 0.00 C ATOM 650 O PRO A 42 8.654 11.027 -2.353 1.00 0.00 O ATOM 651 CB PRO A 42 9.109 10.966 0.994 1.00 0.00 C ATOM 652 CG PRO A 42 9.341 9.660 1.669 1.00 0.00 C ATOM 653 CD PRO A 42 9.125 8.616 0.619 1.00 0.00 C ATOM 0 HA PRO A 42 7.007 10.943 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.020 11.335 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.786 11.727 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.351 9.603 2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.654 9.523 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.050 8.378 0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.754 7.685 1.049 1.00 0.00 H new ATOM 661 N GLU A 43 7.988 12.818 -1.150 1.00 0.00 N ATOM 662 CA GLU A 43 8.152 13.773 -2.231 1.00 0.00 C ATOM 663 C GLU A 43 9.567 13.731 -2.788 1.00 0.00 C ATOM 664 O GLU A 43 10.542 13.860 -2.046 1.00 0.00 O ATOM 665 CB GLU A 43 7.826 15.182 -1.745 1.00 0.00 C ATOM 666 CG GLU A 43 6.359 15.387 -1.407 1.00 0.00 C ATOM 667 CD GLU A 43 5.461 15.229 -2.616 1.00 0.00 C ATOM 668 OE1 GLU A 43 5.555 16.058 -3.541 1.00 0.00 O ATOM 669 OE2 GLU A 43 4.660 14.273 -2.652 1.00 0.00 O ATOM 0 H GLU A 43 7.654 13.230 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 43 7.461 13.500 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.427 15.401 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.116 15.898 -2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.062 14.671 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.222 16.382 -0.983 1.00 0.00 H new ATOM 676 N HIS A 44 9.647 13.497 -4.094 1.00 0.00 N ATOM 677 CA HIS A 44 10.904 13.535 -4.859 1.00 0.00 C ATOM 678 C HIS A 44 11.702 12.240 -4.726 1.00 0.00 C ATOM 679 O HIS A 44 12.548 11.940 -5.570 1.00 0.00 O ATOM 680 CB HIS A 44 11.783 14.732 -4.472 1.00 0.00 C ATOM 681 CG HIS A 44 11.179 16.058 -4.813 1.00 0.00 C ATOM 682 ND1 HIS A 44 10.800 16.401 -6.089 1.00 0.00 N ATOM 683 CD2 HIS A 44 10.883 17.127 -4.036 1.00 0.00 C ATOM 684 CE1 HIS A 44 10.299 17.619 -6.085 1.00 0.00 C ATOM 685 NE2 HIS A 44 10.336 18.084 -4.852 1.00 0.00 N ATOM 0 H HIS A 44 8.833 13.272 -4.666 1.00 0.00 H new ATOM 0 HA HIS A 44 10.611 13.649 -5.903 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.978 14.697 -3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.746 14.642 -4.974 1.00 0.00 H new ATOM 0 HD2 HIS A 44 11.047 17.210 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 44 9.921 18.148 -6.947 1.00 0.00 H new ATOM 0 HE2 HIS A 44 10.011 19.004 -4.554 1.00 0.00 H new ATOM 694 N SER A 45 11.449 11.480 -3.674 1.00 0.00 N ATOM 695 CA SER A 45 12.086 10.185 -3.522 1.00 0.00 C ATOM 696 C SER A 45 11.296 9.134 -4.295 1.00 0.00 C ATOM 697 O SER A 45 10.144 8.842 -3.968 1.00 0.00 O ATOM 698 CB SER A 45 12.194 9.809 -2.039 1.00 0.00 C ATOM 699 OG SER A 45 10.955 9.962 -1.385 1.00 0.00 O ATOM 0 H SER A 45 10.812 11.735 -2.919 1.00 0.00 H new ATOM 0 HA SER A 45 13.097 10.233 -3.927 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.533 8.777 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.944 10.435 -1.556 1.00 0.00 H new ATOM 0 HG SER A 45 10.273 10.232 -2.035 1.00 0.00 H new ATOM 705 N ASN A 46 11.903 8.593 -5.339 1.00 0.00 N ATOM 706 CA ASN A 46 11.244 7.584 -6.156 1.00 0.00 C ATOM 707 C ASN A 46 11.537 6.205 -5.604 1.00 0.00 C ATOM 708 O ASN A 46 12.698 5.839 -5.416 1.00 0.00 O ATOM 709 CB ASN A 46 11.712 7.664 -7.612 1.00 0.00 C ATOM 710 CG ASN A 46 11.126 8.843 -8.369 1.00 0.00 C ATOM 711 OD1 ASN A 46 11.753 9.381 -9.281 1.00 0.00 O ATOM 712 ND2 ASN A 46 9.916 9.246 -8.011 1.00 0.00 N ATOM 0 H ASN A 46 12.847 8.834 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 46 10.170 7.771 -6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.800 7.732 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.440 6.741 -8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.474 10.027 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.426 8.776 -7.250 1.00 0.00 H new ATOM 719 N ILE A 47 10.494 5.425 -5.366 1.00 0.00 N ATOM 720 CA ILE A 47 10.683 4.118 -4.772 1.00 0.00 C ATOM 721 C ILE A 47 10.997 3.081 -5.825 1.00 0.00 C ATOM 722 O ILE A 47 11.584 2.071 -5.512 1.00 0.00 O ATOM 723 CB ILE A 47 9.486 3.634 -3.952 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.301 3.305 -4.843 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.122 4.664 -2.913 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.179 2.635 -4.089 1.00 0.00 C ATOM 0 H ILE A 47 9.526 5.671 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 47 11.525 4.238 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 47 9.767 2.713 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.930 4.222 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.629 2.654 -5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.269 4.311 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.970 4.825 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.863 5.602 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.357 2.422 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.539 1.703 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.829 3.295 -3.296 1.00 0.00 H new ATOM 738 N GLN A 48 10.634 3.354 -7.079 1.00 0.00 N ATOM 739 CA GLN A 48 10.875 2.420 -8.190 1.00 0.00 C ATOM 740 C GLN A 48 12.374 2.100 -8.319 1.00 0.00 C ATOM 741 O GLN A 48 12.785 1.202 -9.063 1.00 0.00 O ATOM 742 CB GLN A 48 10.339 3.035 -9.497 1.00 0.00 C ATOM 743 CG GLN A 48 10.427 2.129 -10.724 1.00 0.00 C ATOM 744 CD GLN A 48 9.266 1.155 -10.860 1.00 0.00 C ATOM 745 OE1 GLN A 48 9.439 0.034 -11.333 1.00 0.00 O ATOM 746 NE2 GLN A 48 8.067 1.590 -10.507 1.00 0.00 N ATOM 0 H GLN A 48 10.169 4.219 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 48 10.351 1.485 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.297 3.317 -9.347 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.891 3.952 -9.702 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.473 2.750 -11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.358 1.564 -10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.959 2.526 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.251 0.989 -10.625 1.00 0.00 H new ATOM 755 N HIS A 49 13.181 2.842 -7.574 1.00 0.00 N ATOM 756 CA HIS A 49 14.608 2.606 -7.509 1.00 0.00 C ATOM 757 C HIS A 49 14.927 1.445 -6.571 1.00 0.00 C ATOM 758 O HIS A 49 15.756 0.601 -6.892 1.00 0.00 O ATOM 759 CB HIS A 49 15.338 3.871 -7.057 1.00 0.00 C ATOM 760 CG HIS A 49 15.558 4.861 -8.161 1.00 0.00 C ATOM 761 ND1 HIS A 49 15.921 4.494 -9.440 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.464 6.212 -8.175 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.042 5.575 -10.188 1.00 0.00 C ATOM 764 NE2 HIS A 49 15.769 6.630 -9.445 1.00 0.00 N ATOM 0 H HIS A 49 12.861 3.622 -7.000 1.00 0.00 H new ATOM 0 HA HIS A 49 14.953 2.341 -8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.765 4.347 -6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.302 3.592 -6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 49 15.198 6.843 -7.340 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.318 5.593 -11.232 1.00 0.00 H new ATOM 0 HE2 HIS A 49 15.783 7.599 -9.763 1.00 0.00 H new ATOM 773 N PHE A 50 14.261 1.391 -5.419 1.00 0.00 N ATOM 774 CA PHE A 50 14.513 0.323 -4.457 1.00 0.00 C ATOM 775 C PHE A 50 13.308 -0.611 -4.335 1.00 0.00 C ATOM 776 O PHE A 50 13.339 -1.592 -3.590 1.00 0.00 O ATOM 777 CB PHE A 50 14.920 0.888 -3.091 1.00 0.00 C ATOM 778 CG PHE A 50 13.936 1.828 -2.458 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.876 1.353 -1.703 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.094 3.194 -2.592 1.00 0.00 C ATOM 781 CE1 PHE A 50 11.994 2.221 -1.102 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.207 4.069 -1.995 1.00 0.00 C ATOM 783 CZ PHE A 50 12.156 3.582 -1.249 1.00 0.00 C ATOM 0 H PHE A 50 13.552 2.066 -5.132 1.00 0.00 H new ATOM 0 HA PHE A 50 15.350 -0.266 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.089 0.055 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.872 1.408 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.740 0.288 -1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.920 3.582 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.174 1.836 -0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.337 5.135 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.462 4.264 -0.781 1.00 0.00 H new ATOM 793 N VAL A 51 12.268 -0.305 -5.096 1.00 0.00 N ATOM 794 CA VAL A 51 11.030 -1.068 -5.106 1.00 0.00 C ATOM 795 C VAL A 51 10.742 -1.531 -6.531 1.00 0.00 C ATOM 796 O VAL A 51 10.989 -0.800 -7.489 1.00 0.00 O ATOM 797 CB VAL A 51 9.858 -0.210 -4.550 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.510 -0.881 -4.750 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.076 0.070 -3.074 1.00 0.00 C ATOM 0 H VAL A 51 12.261 0.492 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 51 11.133 -1.942 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 51 9.847 0.726 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.723 -0.244 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.337 -1.040 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.501 -1.841 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.251 0.671 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.122 -0.872 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.012 0.612 -2.941 1.00 0.00 H new ATOM 809 N GLU A 52 10.247 -2.753 -6.669 1.00 0.00 N ATOM 810 CA GLU A 52 10.124 -3.386 -7.978 1.00 0.00 C ATOM 811 C GLU A 52 8.665 -3.483 -8.396 1.00 0.00 C ATOM 812 O GLU A 52 8.265 -2.963 -9.436 1.00 0.00 O ATOM 813 CB GLU A 52 10.756 -4.782 -7.929 1.00 0.00 C ATOM 814 CG GLU A 52 10.708 -5.548 -9.243 1.00 0.00 C ATOM 815 CD GLU A 52 11.563 -4.920 -10.324 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.775 -5.219 -10.378 1.00 0.00 O ATOM 817 OE2 GLU A 52 11.029 -4.136 -11.131 1.00 0.00 O ATOM 0 H GLU A 52 9.923 -3.328 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 52 10.646 -2.776 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.796 -4.684 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.249 -5.369 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.041 -6.572 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.676 -5.602 -9.589 1.00 0.00 H new ATOM 824 N LYS A 53 7.878 -4.160 -7.582 1.00 0.00 N ATOM 825 CA LYS A 53 6.467 -4.327 -7.848 1.00 0.00 C ATOM 826 C LYS A 53 5.679 -4.142 -6.564 1.00 0.00 C ATOM 827 O LYS A 53 6.249 -4.105 -5.481 1.00 0.00 O ATOM 828 CB LYS A 53 6.202 -5.707 -8.459 1.00 0.00 C ATOM 829 CG LYS A 53 6.663 -6.869 -7.590 1.00 0.00 C ATOM 830 CD LYS A 53 6.348 -8.215 -8.223 1.00 0.00 C ATOM 831 CE LYS A 53 4.855 -8.447 -8.348 1.00 0.00 C ATOM 832 NZ LYS A 53 4.557 -9.598 -9.240 1.00 0.00 N ATOM 0 H LYS A 53 8.199 -4.607 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 53 6.144 -3.573 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.133 -5.810 -8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.704 -5.768 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.737 -6.791 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.181 -6.806 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.807 -8.268 -9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.790 -9.010 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.430 -8.630 -7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.377 -7.549 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.527 -9.730 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.942 -9.411 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.993 -10.459 -8.853 1.00 0.00 H new ATOM 846 N VAL A 54 4.380 -4.019 -6.687 1.00 0.00 N ATOM 847 CA VAL A 54 3.523 -3.787 -5.542 1.00 0.00 C ATOM 848 C VAL A 54 2.272 -4.636 -5.660 1.00 0.00 C ATOM 849 O VAL A 54 1.849 -4.966 -6.766 1.00 0.00 O ATOM 850 CB VAL A 54 3.181 -2.288 -5.429 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.869 -2.036 -4.705 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.313 -1.579 -4.711 1.00 0.00 C ATOM 0 H VAL A 54 3.886 -4.076 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 54 4.045 -4.077 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 54 3.060 -1.897 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.681 -0.964 -4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.056 -2.523 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.927 -2.441 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.081 -0.517 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.436 -2.005 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.237 -1.704 -5.275 1.00 0.00 H new ATOM 862 N VAL A 55 1.699 -5.012 -4.532 1.00 0.00 N ATOM 863 CA VAL A 55 0.568 -5.907 -4.539 1.00 0.00 C ATOM 864 C VAL A 55 -0.423 -5.529 -3.448 1.00 0.00 C ATOM 865 O VAL A 55 -0.048 -5.009 -2.395 1.00 0.00 O ATOM 866 CB VAL A 55 1.032 -7.374 -4.382 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.520 -8.002 -3.098 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.601 -8.192 -5.581 1.00 0.00 C ATOM 0 H VAL A 55 2.000 -4.711 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 55 0.063 -5.814 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 55 2.121 -7.368 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.871 -9.032 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.891 -7.436 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.570 -7.990 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.934 -9.222 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.486 -8.170 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.044 -7.774 -6.485 1.00 0.00 H new ATOM 878 N PHE A 56 -1.686 -5.775 -3.725 1.00 0.00 N ATOM 879 CA PHE A 56 -2.749 -5.509 -2.784 1.00 0.00 C ATOM 880 C PHE A 56 -3.600 -6.752 -2.628 1.00 0.00 C ATOM 881 O PHE A 56 -4.177 -7.224 -3.597 1.00 0.00 O ATOM 882 CB PHE A 56 -3.621 -4.344 -3.267 1.00 0.00 C ATOM 883 CG PHE A 56 -3.006 -2.990 -3.067 1.00 0.00 C ATOM 884 CD1 PHE A 56 -1.986 -2.541 -3.891 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.458 -2.163 -2.056 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.428 -1.295 -3.707 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.902 -0.913 -1.868 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.886 -0.479 -2.695 1.00 0.00 C ATOM 0 H PHE A 56 -2.003 -6.166 -4.612 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.310 -5.237 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.835 -4.480 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.576 -4.378 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.624 -3.175 -4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.254 -2.498 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.633 -0.958 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.262 -0.275 -1.074 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.450 0.499 -2.549 1.00 0.00 H new ATOM 898 N HIS A 57 -3.650 -7.304 -1.429 1.00 0.00 N ATOM 899 CA HIS A 57 -4.510 -8.450 -1.166 1.00 0.00 C ATOM 900 C HIS A 57 -5.826 -7.943 -0.613 1.00 0.00 C ATOM 901 O HIS A 57 -6.017 -7.901 0.601 1.00 0.00 O ATOM 902 CB HIS A 57 -3.877 -9.417 -0.154 1.00 0.00 C ATOM 903 CG HIS A 57 -2.541 -9.969 -0.557 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.358 -11.272 -0.965 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.311 -9.399 -0.580 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.079 -11.478 -1.217 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.421 -10.358 -0.991 1.00 0.00 N ATOM 0 H HIS A 57 -3.110 -6.982 -0.625 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.658 -8.994 -2.099 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.768 -8.901 0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.563 -10.248 0.010 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.075 -8.377 -0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.644 -12.408 -1.552 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.584 -10.227 -1.103 1.00 0.00 H new ATOM 916 N LEU A 58 -6.715 -7.519 -1.500 1.00 0.00 N ATOM 917 CA LEU A 58 -8.004 -6.997 -1.073 1.00 0.00 C ATOM 918 C LEU A 58 -8.824 -8.108 -0.421 1.00 0.00 C ATOM 919 O LEU A 58 -8.398 -9.265 -0.377 1.00 0.00 O ATOM 920 CB LEU A 58 -8.785 -6.386 -2.244 1.00 0.00 C ATOM 921 CG LEU A 58 -7.963 -5.551 -3.237 1.00 0.00 C ATOM 922 CD1 LEU A 58 -8.867 -4.882 -4.246 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.086 -4.527 -2.533 1.00 0.00 C ATOM 0 H LEU A 58 -6.569 -7.526 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.820 -6.204 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.270 -7.194 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.577 -5.756 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.298 -6.235 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.266 -4.295 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.421 -5.641 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.567 -4.226 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.523 -3.960 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.712 -3.848 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.393 -5.039 -1.865 1.00 0.00 H new ATOM 935 N HIS A 59 -10.004 -7.766 0.064 1.00 0.00 N ATOM 936 CA HIS A 59 -10.834 -8.725 0.777 1.00 0.00 C ATOM 937 C HIS A 59 -11.295 -9.805 -0.188 1.00 0.00 C ATOM 938 O HIS A 59 -11.582 -9.528 -1.347 1.00 0.00 O ATOM 939 CB HIS A 59 -12.031 -8.011 1.407 1.00 0.00 C ATOM 940 CG HIS A 59 -12.539 -8.653 2.660 1.00 0.00 C ATOM 941 ND1 HIS A 59 -11.830 -8.654 3.841 1.00 0.00 N ATOM 942 CD2 HIS A 59 -13.703 -9.290 2.924 1.00 0.00 C ATOM 943 CE1 HIS A 59 -12.533 -9.259 4.775 1.00 0.00 C ATOM 944 NE2 HIS A 59 -13.674 -9.655 4.245 1.00 0.00 N ATOM 0 H HIS A 59 -10.410 -6.834 -0.022 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.257 -9.190 1.576 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.750 -6.981 1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.841 -7.971 0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.505 -9.476 2.225 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.228 -9.406 5.800 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.415 -10.153 4.738 1.00 0.00 H new ATOM 953 N GLU A 60 -11.342 -11.034 0.304 1.00 0.00 N ATOM 954 CA GLU A 60 -11.654 -12.204 -0.516 1.00 0.00 C ATOM 955 C GLU A 60 -13.011 -12.084 -1.203 1.00 0.00 C ATOM 956 O GLU A 60 -13.260 -12.742 -2.209 1.00 0.00 O ATOM 957 CB GLU A 60 -11.624 -13.465 0.340 1.00 0.00 C ATOM 958 CG GLU A 60 -10.256 -13.770 0.929 1.00 0.00 C ATOM 959 CD GLU A 60 -10.247 -15.035 1.758 1.00 0.00 C ATOM 960 OE1 GLU A 60 -10.078 -16.131 1.179 1.00 0.00 O ATOM 961 OE2 GLU A 60 -10.415 -14.946 2.991 1.00 0.00 O ATOM 0 H GLU A 60 -11.165 -11.253 1.284 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.893 -12.264 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.344 -13.360 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.947 -14.312 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.530 -13.864 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.937 -12.932 1.549 1.00 0.00 H new ATOM 968 N SER A 61 -13.883 -11.254 -0.642 1.00 0.00 N ATOM 969 CA SER A 61 -15.181 -10.968 -1.245 1.00 0.00 C ATOM 970 C SER A 61 -15.024 -10.211 -2.565 1.00 0.00 C ATOM 971 O SER A 61 -15.952 -10.143 -3.368 1.00 0.00 O ATOM 972 CB SER A 61 -16.024 -10.149 -0.286 1.00 0.00 C ATOM 973 OG SER A 61 -15.956 -10.675 1.027 1.00 0.00 O ATOM 0 H SER A 61 -13.713 -10.764 0.236 1.00 0.00 H new ATOM 0 HA SER A 61 -15.675 -11.918 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.679 -9.115 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.060 -10.139 -0.624 1.00 0.00 H new ATOM 0 HG SER A 61 -16.506 -10.129 1.627 1.00 0.00 H new ATOM 979 N PHE A 62 -13.846 -9.638 -2.774 1.00 0.00 N ATOM 980 CA PHE A 62 -13.548 -8.905 -3.992 1.00 0.00 C ATOM 981 C PHE A 62 -13.013 -9.862 -5.048 1.00 0.00 C ATOM 982 O PHE A 62 -12.132 -10.677 -4.763 1.00 0.00 O ATOM 983 CB PHE A 62 -12.510 -7.808 -3.716 1.00 0.00 C ATOM 984 CG PHE A 62 -12.996 -6.693 -2.826 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.363 -6.940 -1.515 1.00 0.00 C ATOM 986 CD2 PHE A 62 -13.072 -5.395 -3.302 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.799 -5.916 -0.696 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.509 -4.366 -2.488 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.873 -4.627 -1.183 1.00 0.00 C ATOM 0 H PHE A 62 -13.075 -9.669 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.464 -8.438 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.632 -8.264 -3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.189 -7.382 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.308 -7.946 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.786 -5.184 -4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -14.082 -6.125 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.565 -3.359 -2.874 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.215 -3.825 -0.545 1.00 0.00 H new ATOM 999 N PRO A 63 -13.558 -9.800 -6.271 1.00 0.00 N ATOM 1000 CA PRO A 63 -13.090 -10.623 -7.389 1.00 0.00 C ATOM 1001 C PRO A 63 -11.644 -10.313 -7.747 1.00 0.00 C ATOM 1002 O PRO A 63 -11.301 -9.155 -8.017 1.00 0.00 O ATOM 1003 CB PRO A 63 -14.017 -10.237 -8.546 1.00 0.00 C ATOM 1004 CG PRO A 63 -15.202 -9.604 -7.900 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.682 -8.935 -6.661 1.00 0.00 C ATOM 0 HA PRO A 63 -13.117 -11.686 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.526 -9.546 -9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.306 -11.112 -9.128 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.672 -8.881 -8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.958 -10.349 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.357 -7.914 -6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.441 -8.882 -5.881 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.812 -11.358 -7.757 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.376 -11.223 -8.014 1.00 0.00 C ATOM 1015 C ARG A 64 -8.783 -10.153 -7.104 1.00 0.00 C ATOM 1016 O ARG A 64 -8.365 -9.106 -7.579 1.00 0.00 O ATOM 1017 CB ARG A 64 -9.124 -10.843 -9.476 1.00 0.00 C ATOM 1018 CG ARG A 64 -10.069 -11.506 -10.463 1.00 0.00 C ATOM 1019 CD ARG A 64 -9.793 -11.041 -11.876 1.00 0.00 C ATOM 1020 NE ARG A 64 -9.914 -9.587 -12.005 1.00 0.00 N ATOM 1021 CZ ARG A 64 -9.163 -8.844 -12.814 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -8.214 -9.408 -13.555 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -9.348 -7.532 -12.864 1.00 0.00 N ATOM 0 H ARG A 64 -11.113 -12.318 -7.588 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.899 -12.182 -7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.210 -9.761 -9.579 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.099 -11.108 -9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.959 -12.589 -10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.100 -11.275 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.790 -11.350 -12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.489 -11.526 -12.560 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.618 -9.114 -11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.059 -10.415 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.641 -8.834 -14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.064 -7.095 -12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.774 -6.959 -13.483 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.743 -10.391 -5.787 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.411 -9.347 -4.823 1.00 0.00 C ATOM 1039 C PRO A 65 -6.956 -8.891 -4.890 1.00 0.00 C ATOM 1040 O PRO A 65 -6.638 -7.774 -4.501 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.721 -9.982 -3.470 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.651 -11.452 -3.696 1.00 0.00 C ATOM 1043 CD PRO A 65 -8.998 -11.688 -5.140 1.00 0.00 C ATOM 0 HA PRO A 65 -8.981 -8.439 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.002 -9.666 -2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.708 -9.686 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.654 -11.830 -3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.346 -11.977 -3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.384 -12.477 -5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.038 -11.993 -5.255 1.00 0.00 H new ATOM 1051 N LYS A 66 -6.079 -9.748 -5.382 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.678 -9.399 -5.524 1.00 0.00 C ATOM 1053 C LYS A 66 -4.471 -8.499 -6.728 1.00 0.00 C ATOM 1054 O LYS A 66 -4.473 -8.955 -7.872 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.802 -10.642 -5.644 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.330 -10.317 -5.861 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.470 -11.565 -5.840 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.081 -11.303 -6.396 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.791 -12.500 -6.308 1.00 0.00 N ATOM 0 H LYS A 66 -6.313 -10.692 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.381 -8.861 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.906 -11.241 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.159 -11.252 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.207 -9.807 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.991 -9.629 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.389 -11.933 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.953 -12.349 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.161 -10.989 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.378 -10.480 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.729 -12.276 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.890 -12.785 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.367 -13.279 -6.851 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.303 -7.221 -6.463 1.00 0.00 N ATOM 1074 CA ARG A 67 -4.058 -6.256 -7.515 1.00 0.00 C ATOM 1075 C ARG A 67 -2.592 -5.867 -7.497 1.00 0.00 C ATOM 1076 O ARG A 67 -2.099 -5.335 -6.502 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.939 -5.019 -7.328 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.375 -5.342 -6.958 1.00 0.00 C ATOM 1079 CD ARG A 67 -7.012 -6.288 -7.963 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.426 -6.529 -7.683 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.411 -5.660 -7.907 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.154 -4.438 -8.357 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.670 -6.019 -7.673 1.00 0.00 N ATOM 0 H ARG A 67 -4.332 -6.824 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.306 -6.702 -8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.506 -4.390 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.933 -4.437 -8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.403 -5.792 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.954 -4.420 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.909 -5.872 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.476 -7.237 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.679 -7.433 -7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.191 -4.153 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.919 -3.784 -8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.877 -6.955 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.429 -5.358 -7.842 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.892 -6.156 -8.576 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.460 -5.932 -8.619 1.00 0.00 C ATOM 1099 C VAL A 68 -0.133 -4.714 -9.474 1.00 0.00 C ATOM 1100 O VAL A 68 -0.836 -4.412 -10.443 1.00 0.00 O ATOM 1101 CB VAL A 68 0.302 -7.179 -9.156 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.443 -8.462 -8.813 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.557 -7.089 -10.654 1.00 0.00 C ATOM 0 H VAL A 68 -2.289 -6.545 -9.431 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.129 -5.750 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 68 1.273 -7.200 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.110 -9.318 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.538 -8.549 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.435 -8.438 -9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.091 -7.979 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.394 -7.018 -11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.157 -6.205 -10.868 1.00 0.00 H new ATOM 1113 N CYS A 69 0.903 -3.992 -9.088 1.00 0.00 N ATOM 1114 CA CYS A 69 1.440 -2.944 -9.934 1.00 0.00 C ATOM 1115 C CYS A 69 2.923 -3.151 -10.150 1.00 0.00 C ATOM 1116 O CYS A 69 3.685 -3.335 -9.203 1.00 0.00 O ATOM 1117 CB CYS A 69 1.177 -1.547 -9.374 1.00 0.00 C ATOM 1118 SG CYS A 69 2.350 -0.305 -9.913 1.00 0.00 S ATOM 0 H CYS A 69 1.387 -4.112 -8.198 1.00 0.00 H new ATOM 0 HA CYS A 69 0.921 -3.009 -10.890 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.174 -1.234 -9.666 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.192 -1.596 -8.285 1.00 0.00 H new ATOM 0 HG CYS A 69 3.187 -0.053 -8.951 1.00 0.00 H new ATOM 1124 N LYS A 70 3.311 -3.174 -11.407 1.00 0.00 N ATOM 1125 CA LYS A 70 4.706 -3.275 -11.780 1.00 0.00 C ATOM 1126 C LYS A 70 5.167 -1.936 -12.337 1.00 0.00 C ATOM 1127 O LYS A 70 6.252 -1.825 -12.909 1.00 0.00 O ATOM 1128 CB LYS A 70 4.888 -4.380 -12.832 1.00 0.00 C ATOM 1129 CG LYS A 70 4.216 -5.698 -12.461 1.00 0.00 C ATOM 1130 CD LYS A 70 4.014 -6.588 -13.676 1.00 0.00 C ATOM 1131 CE LYS A 70 3.335 -7.895 -13.298 1.00 0.00 C ATOM 1132 NZ LYS A 70 2.895 -8.661 -14.494 1.00 0.00 N ATOM 0 H LYS A 70 2.669 -3.123 -12.198 1.00 0.00 H new ATOM 0 HA LYS A 70 5.304 -3.529 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.486 -4.033 -13.784 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.953 -4.555 -12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.824 -6.222 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.252 -5.496 -11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.411 -6.064 -14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.978 -6.798 -14.140 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.022 -8.504 -12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.473 -7.686 -12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.437 -9.545 -14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.219 -8.091 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.720 -8.884 -15.086 1.00 0.00 H new ATOM 1146 N ASP A 71 4.315 -0.924 -12.190 1.00 0.00 N ATOM 1147 CA ASP A 71 4.562 0.369 -12.826 1.00 0.00 C ATOM 1148 C ASP A 71 4.693 1.481 -11.766 1.00 0.00 C ATOM 1149 O ASP A 71 4.664 1.194 -10.577 1.00 0.00 O ATOM 1150 CB ASP A 71 3.407 0.669 -13.838 1.00 0.00 C ATOM 1151 CG ASP A 71 2.129 1.162 -13.179 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.416 0.344 -12.558 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.802 2.361 -13.323 1.00 0.00 O ATOM 0 H ASP A 71 3.456 -0.972 -11.642 1.00 0.00 H new ATOM 0 HA ASP A 71 5.505 0.336 -13.372 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.748 1.417 -14.553 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.187 -0.236 -14.404 1.00 0.00 H new ATOM 1158 N PRO A 72 4.982 2.734 -12.182 1.00 0.00 N ATOM 1159 CA PRO A 72 4.811 3.948 -11.337 1.00 0.00 C ATOM 1160 C PRO A 72 3.472 3.986 -10.529 1.00 0.00 C ATOM 1161 O PRO A 72 2.759 2.986 -10.491 1.00 0.00 O ATOM 1162 CB PRO A 72 4.895 5.046 -12.397 1.00 0.00 C ATOM 1163 CG PRO A 72 5.913 4.538 -13.346 1.00 0.00 C ATOM 1164 CD PRO A 72 5.625 3.073 -13.473 1.00 0.00 C ATOM 0 HA PRO A 72 5.548 4.026 -10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.934 5.205 -12.887 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.193 6.000 -11.963 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.839 5.040 -14.311 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.922 4.711 -12.973 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.966 2.865 -14.316 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.537 2.497 -13.631 1.00 0.00 H new ATOM 1172 N PRO A 73 3.073 5.163 -9.931 1.00 0.00 N ATOM 1173 CA PRO A 73 2.081 5.270 -8.850 1.00 0.00 C ATOM 1174 C PRO A 73 1.172 4.061 -8.644 1.00 0.00 C ATOM 1175 O PRO A 73 0.310 3.738 -9.466 1.00 0.00 O ATOM 1176 CB PRO A 73 1.287 6.476 -9.318 1.00 0.00 C ATOM 1177 CG PRO A 73 2.315 7.381 -9.930 1.00 0.00 C ATOM 1178 CD PRO A 73 3.517 6.525 -10.264 1.00 0.00 C ATOM 0 HA PRO A 73 2.559 5.345 -7.873 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.524 6.193 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.774 6.961 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.922 7.860 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.589 8.177 -9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.792 6.612 -11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.391 6.816 -9.681 1.00 0.00 H new ATOM 1186 N TYR A 74 1.380 3.432 -7.497 1.00 0.00 N ATOM 1187 CA TYR A 74 0.764 2.164 -7.142 1.00 0.00 C ATOM 1188 C TYR A 74 -0.569 2.401 -6.455 1.00 0.00 C ATOM 1189 O TYR A 74 -0.635 3.105 -5.447 1.00 0.00 O ATOM 1190 CB TYR A 74 1.694 1.414 -6.189 1.00 0.00 C ATOM 1191 CG TYR A 74 3.133 1.385 -6.643 1.00 0.00 C ATOM 1192 CD1 TYR A 74 3.973 2.468 -6.433 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.649 0.279 -7.281 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.283 2.442 -6.851 1.00 0.00 C ATOM 1195 CE2 TYR A 74 4.959 0.237 -7.700 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.776 1.325 -7.482 1.00 0.00 C ATOM 1197 OH TYR A 74 7.089 1.295 -7.887 1.00 0.00 O ATOM 0 H TYR A 74 1.996 3.798 -6.771 1.00 0.00 H new ATOM 0 HA TYR A 74 0.596 1.579 -8.047 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.642 1.879 -5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.337 0.390 -6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.592 3.346 -5.933 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.011 -0.575 -7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.922 3.296 -6.684 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.344 -0.642 -8.196 1.00 0.00 H new ATOM 0 HH TYR A 74 7.279 0.435 -8.316 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.622 1.809 -6.988 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.960 2.041 -6.464 1.00 0.00 C ATOM 1209 C LYS A 75 -3.935 0.940 -6.827 1.00 0.00 C ATOM 1210 O LYS A 75 -3.782 0.245 -7.835 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.505 3.380 -6.971 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.344 3.579 -8.469 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.437 4.473 -9.039 1.00 0.00 C ATOM 1214 CE LYS A 75 -4.340 5.894 -8.527 1.00 0.00 C ATOM 1215 NZ LYS A 75 -5.424 6.752 -9.077 1.00 0.00 N ATOM 0 H LYS A 75 -1.580 1.167 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.866 2.055 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.562 3.452 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.996 4.190 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.369 4.020 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.368 2.611 -8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.371 4.476 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.412 4.061 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.394 5.893 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.371 6.313 -8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.705 7.456 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.082 7.240 -9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.244 6.161 -9.322 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.932 0.805 -5.971 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.090 -0.025 -6.214 1.00 0.00 C ATOM 1231 C VAL A 76 -7.342 0.822 -6.043 1.00 0.00 C ATOM 1232 O VAL A 76 -7.512 1.482 -5.017 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.160 -1.227 -5.257 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.540 -1.849 -5.304 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.113 -2.258 -5.617 1.00 0.00 C ATOM 0 H VAL A 76 -4.956 1.281 -5.069 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.014 -0.418 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.963 -0.874 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.579 -2.699 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.283 -1.110 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.753 -2.187 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.179 -3.100 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.282 -2.608 -6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.122 -1.810 -5.547 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.191 0.831 -7.053 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.442 1.566 -6.988 1.00 0.00 C ATOM 1247 C GLU A 77 -10.594 0.611 -7.137 1.00 0.00 C ATOM 1248 O GLU A 77 -10.835 0.057 -8.210 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.490 2.643 -8.058 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.367 3.628 -7.913 1.00 0.00 C ATOM 1251 CD GLU A 77 -8.115 4.445 -9.161 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -8.105 3.865 -10.268 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -7.912 5.670 -9.041 1.00 0.00 O ATOM 0 H GLU A 77 -8.037 0.336 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.515 2.060 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.440 2.178 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.443 3.169 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.590 4.302 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.456 3.091 -7.650 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.296 0.424 -6.052 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.331 -0.594 -5.987 1.00 0.00 C ATOM 1262 C GLU A 78 -13.632 -0.050 -5.441 1.00 0.00 C ATOM 1263 O GLU A 78 -13.737 1.128 -5.097 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.875 -1.773 -5.127 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.221 -2.887 -5.916 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.007 -3.276 -7.152 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.127 -3.796 -7.009 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -11.500 -3.079 -8.275 1.00 0.00 O ATOM 0 H GLU A 78 -11.176 0.961 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.506 -0.930 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.173 -1.412 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.736 -2.175 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.219 -2.576 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.107 -3.761 -5.275 1.00 0.00 H new ATOM 1275 N SER A 79 -14.610 -0.934 -5.354 1.00 0.00 N ATOM 1276 CA SER A 79 -15.930 -0.575 -4.884 1.00 0.00 C ATOM 1277 C SER A 79 -16.504 -1.723 -4.056 1.00 0.00 C ATOM 1278 O SER A 79 -16.276 -2.897 -4.360 1.00 0.00 O ATOM 1279 CB SER A 79 -16.835 -0.241 -6.076 1.00 0.00 C ATOM 1280 OG SER A 79 -18.062 0.342 -5.661 1.00 0.00 O ATOM 0 H SER A 79 -14.509 -1.917 -5.607 1.00 0.00 H new ATOM 0 HA SER A 79 -15.870 0.310 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.315 0.444 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.038 -1.149 -6.644 1.00 0.00 H new ATOM 0 HG SER A 79 -17.926 1.295 -5.477 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.228 -1.371 -3.009 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.758 -2.346 -2.080 1.00 0.00 C ATOM 1288 C GLY A 80 -18.743 -1.698 -1.134 1.00 0.00 C ATOM 1289 O GLY A 80 -19.391 -0.725 -1.503 1.00 0.00 O ATOM 0 H GLY A 80 -17.463 -0.405 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.248 -3.151 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.943 -2.797 -1.513 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.879 -2.209 0.079 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.804 -1.600 1.032 1.00 0.00 C ATOM 1295 C TYR A 81 -19.311 -1.712 2.472 1.00 0.00 C ATOM 1296 O TYR A 81 -20.084 -1.514 3.410 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.208 -2.212 0.893 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.245 -3.723 1.032 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.329 -4.327 2.281 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.194 -4.544 -0.090 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.363 -5.701 2.407 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.227 -5.921 0.031 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.309 -6.494 1.282 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.341 -7.866 1.411 1.00 0.00 O ATOM 0 H TYR A 81 -18.375 -3.025 0.426 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.856 -0.538 0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.860 -1.773 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.617 -1.938 -0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.368 -3.711 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -21.128 -4.098 -1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.432 -6.153 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -21.189 -6.544 -0.850 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.296 -8.279 0.523 1.00 0.00 H new ATOM 1314 N ALA A 82 -18.027 -2.006 2.651 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.462 -2.127 3.989 1.00 0.00 C ATOM 1316 C ALA A 82 -15.944 -2.023 3.962 1.00 0.00 C ATOM 1317 O ALA A 82 -15.323 -2.131 2.905 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.875 -3.447 4.620 1.00 0.00 C ATOM 0 H ALA A 82 -17.363 -2.164 1.893 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.851 -1.303 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.445 -3.523 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.962 -3.494 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.514 -4.272 4.006 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.360 -1.808 5.138 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.920 -1.731 5.259 1.00 0.00 C ATOM 1326 C GLY A 83 -13.320 -3.033 5.754 1.00 0.00 C ATOM 1327 O GLY A 83 -14.053 -3.991 6.019 1.00 0.00 O ATOM 0 H GLY A 83 -15.867 -1.685 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.488 -1.478 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.657 -0.926 5.946 1.00 0.00 H new ATOM 1331 N PHE A 84 -11.996 -3.066 5.882 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.272 -4.283 6.257 1.00 0.00 C ATOM 1333 C PHE A 84 -9.768 -4.020 6.282 1.00 0.00 C ATOM 1334 O PHE A 84 -9.292 -3.074 5.651 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.585 -5.420 5.263 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.289 -5.087 3.819 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.163 -4.305 3.079 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.142 -5.559 3.205 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.897 -3.996 1.761 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.869 -5.257 1.889 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.744 -4.473 1.163 1.00 0.00 C ATOM 0 H PHE A 84 -11.395 -2.256 5.730 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.596 -4.583 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.009 -6.301 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.638 -5.685 5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.065 -3.932 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.452 -6.172 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.586 -3.384 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.970 -5.634 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.529 -4.233 0.132 1.00 0.00 H new ATOM 1351 N ILE A 85 -9.025 -4.828 7.037 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.567 -4.790 6.972 1.00 0.00 C ATOM 1353 C ILE A 85 -7.106 -5.212 5.589 1.00 0.00 C ATOM 1354 O ILE A 85 -7.454 -6.296 5.113 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.897 -5.707 8.028 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -7.014 -5.100 9.424 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.429 -5.954 7.689 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.295 -3.776 9.571 1.00 0.00 C ATOM 0 H ILE A 85 -9.405 -5.510 7.694 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.266 -3.764 7.185 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.420 -6.663 8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.068 -4.960 9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.613 -5.805 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.984 -6.600 8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.357 -6.435 6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.896 -5.003 7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.421 -3.404 10.588 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.234 -3.913 9.364 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.712 -3.056 8.867 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.337 -4.357 4.945 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.833 -4.660 3.627 1.00 0.00 C ATOM 1372 C LEU A 86 -4.322 -4.825 3.680 1.00 0.00 C ATOM 1373 O LEU A 86 -3.584 -3.854 3.861 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.237 -3.565 2.640 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.429 -4.055 1.208 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.500 -3.250 0.495 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.138 -3.968 0.436 1.00 0.00 C ATOM 0 H LEU A 86 -6.050 -3.450 5.314 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.268 -5.597 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.164 -3.106 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.475 -2.786 2.647 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.746 -5.097 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.616 -3.621 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.446 -3.350 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.208 -2.200 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.298 -4.322 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.798 -2.933 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.382 -4.586 0.920 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.850 -6.073 3.565 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.427 -6.378 3.564 1.00 0.00 C ATOM 1391 C PRO A 87 -1.770 -5.922 2.268 1.00 0.00 C ATOM 1392 O PRO A 87 -1.835 -6.607 1.242 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.366 -7.907 3.697 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.764 -8.348 3.988 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.664 -7.285 3.430 1.00 0.00 C ATOM 0 HA PRO A 87 -1.895 -5.867 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.995 -8.364 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.688 -8.203 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.971 -9.314 3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.920 -8.466 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.928 -7.482 2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.598 -7.210 3.988 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.165 -4.747 2.314 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.513 -4.182 1.155 1.00 0.00 C ATOM 1405 C ILE A 88 0.950 -4.569 1.152 1.00 0.00 C ATOM 1406 O ILE A 88 1.602 -4.563 2.194 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.636 -2.647 1.127 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.103 -2.244 1.309 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.096 -2.113 -0.191 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.291 -0.834 1.815 1.00 0.00 C ATOM 0 H ILE A 88 -1.114 -4.166 3.151 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.007 -4.579 0.268 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.052 -2.220 1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.620 -2.349 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.576 -2.936 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.185 -1.027 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.952 -2.393 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.668 -2.536 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.355 -0.623 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.805 -0.727 2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.849 -0.132 1.108 1.00 0.00 H new ATOM 1422 N GLU A 89 1.463 -4.910 -0.008 1.00 0.00 N ATOM 1423 CA GLU A 89 2.839 -5.342 -0.114 1.00 0.00 C ATOM 1424 C GLU A 89 3.598 -4.522 -1.136 1.00 0.00 C ATOM 1425 O GLU A 89 3.146 -4.320 -2.263 1.00 0.00 O ATOM 1426 CB GLU A 89 2.921 -6.831 -0.452 1.00 0.00 C ATOM 1427 CG GLU A 89 2.494 -7.749 0.686 1.00 0.00 C ATOM 1428 CD GLU A 89 2.786 -9.217 0.410 1.00 0.00 C ATOM 1429 OE1 GLU A 89 2.069 -9.827 -0.409 1.00 0.00 O ATOM 1430 OE2 GLU A 89 3.732 -9.771 1.017 1.00 0.00 O ATOM 0 H GLU A 89 0.950 -4.897 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 89 3.307 -5.184 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.294 -7.031 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.945 -7.073 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.007 -7.448 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.426 -7.624 0.864 1.00 0.00 H new ATOM 1437 N VAL A 90 4.756 -4.045 -0.718 1.00 0.00 N ATOM 1438 CA VAL A 90 5.623 -3.267 -1.578 1.00 0.00 C ATOM 1439 C VAL A 90 6.919 -4.043 -1.786 1.00 0.00 C ATOM 1440 O VAL A 90 7.724 -4.183 -0.864 1.00 0.00 O ATOM 1441 CB VAL A 90 5.912 -1.869 -0.976 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.505 -0.929 -2.014 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.638 -1.276 -0.403 1.00 0.00 C ATOM 0 H VAL A 90 5.120 -4.186 0.224 1.00 0.00 H new ATOM 0 HA VAL A 90 5.128 -3.104 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 90 6.644 -1.992 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.696 0.043 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.441 -1.344 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.804 -0.811 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.851 -0.293 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.894 -1.178 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.252 -1.930 0.379 1.00 0.00 H new ATOM 1453 N TYR A 91 7.090 -4.590 -2.982 1.00 0.00 N ATOM 1454 CA TYR A 91 8.235 -5.456 -3.273 1.00 0.00 C ATOM 1455 C TYR A 91 9.500 -4.642 -3.453 1.00 0.00 C ATOM 1456 O TYR A 91 9.507 -3.630 -4.142 1.00 0.00 O ATOM 1457 CB TYR A 91 8.000 -6.298 -4.528 1.00 0.00 C ATOM 1458 CG TYR A 91 7.209 -7.571 -4.306 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.014 -7.565 -3.601 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.661 -8.784 -4.815 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.299 -8.728 -3.405 1.00 0.00 C ATOM 1462 CE2 TYR A 91 6.944 -9.953 -4.625 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.764 -9.915 -3.917 1.00 0.00 C ATOM 1464 OH TYR A 91 5.043 -11.068 -3.712 1.00 0.00 O ATOM 0 H TYR A 91 6.454 -4.453 -3.768 1.00 0.00 H new ATOM 0 HA TYR A 91 8.351 -6.123 -2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.478 -5.687 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.967 -6.559 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.638 -6.636 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.588 -8.814 -5.368 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.373 -8.706 -2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.307 -10.887 -5.029 1.00 0.00 H new ATOM 0 HH TYR A 91 5.503 -11.822 -4.137 1.00 0.00 H new ATOM 1474 N PHE A 92 10.573 -5.124 -2.870 1.00 0.00 N ATOM 1475 CA PHE A 92 11.838 -4.417 -2.873 1.00 0.00 C ATOM 1476 C PHE A 92 12.772 -5.018 -3.918 1.00 0.00 C ATOM 1477 O PHE A 92 12.520 -6.114 -4.423 1.00 0.00 O ATOM 1478 CB PHE A 92 12.469 -4.505 -1.479 1.00 0.00 C ATOM 1479 CG PHE A 92 11.735 -3.722 -0.424 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.125 -2.517 -0.735 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.677 -4.177 0.886 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.474 -1.786 0.234 1.00 0.00 C ATOM 1483 CE2 PHE A 92 11.018 -3.446 1.859 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.419 -2.252 1.527 1.00 0.00 C ATOM 0 H PHE A 92 10.596 -6.018 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 92 11.669 -3.370 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.512 -5.551 -1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.497 -4.147 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.161 -2.147 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.151 -5.111 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.007 -0.847 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.974 -3.811 2.875 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.904 -1.679 2.284 1.00 0.00 H new ATOM 1494 N LYS A 93 13.842 -4.303 -4.243 1.00 0.00 N ATOM 1495 CA LYS A 93 14.837 -4.818 -5.175 1.00 0.00 C ATOM 1496 C LYS A 93 16.063 -5.205 -4.367 1.00 0.00 C ATOM 1497 O LYS A 93 16.949 -4.376 -4.138 1.00 0.00 O ATOM 1498 CB LYS A 93 15.273 -3.773 -6.231 1.00 0.00 C ATOM 1499 CG LYS A 93 14.145 -2.993 -6.934 1.00 0.00 C ATOM 1500 CD LYS A 93 14.636 -2.346 -8.235 1.00 0.00 C ATOM 1501 CE LYS A 93 13.484 -1.971 -9.182 1.00 0.00 C ATOM 1502 NZ LYS A 93 13.973 -1.617 -10.537 1.00 0.00 N ATOM 0 H LYS A 93 14.042 -3.372 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 93 14.395 -5.660 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.934 -3.054 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.861 -4.284 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.316 -3.667 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.762 -2.222 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.211 -1.451 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.312 -3.033 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.787 -2.806 -9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.931 -1.130 -8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.165 -1.371 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.618 -0.804 -10.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.479 -2.428 -10.946 1.00 0.00 H new ATOM 1516 N ASN A 94 16.108 -6.446 -3.922 1.00 0.00 N ATOM 1517 CA ASN A 94 17.186 -6.892 -3.063 1.00 0.00 C ATOM 1518 C ASN A 94 17.331 -8.402 -3.144 1.00 0.00 C ATOM 1519 O ASN A 94 16.389 -9.090 -3.531 1.00 0.00 O ATOM 1520 CB ASN A 94 16.904 -6.458 -1.634 1.00 0.00 C ATOM 1521 CG ASN A 94 18.158 -6.362 -0.802 1.00 0.00 C ATOM 1522 OD1 ASN A 94 19.231 -6.063 -1.321 1.00 0.00 O ATOM 1523 ND2 ASN A 94 18.035 -6.609 0.492 1.00 0.00 N ATOM 0 H ASN A 94 15.413 -7.160 -4.140 1.00 0.00 H new ATOM 0 HA ASN A 94 18.122 -6.442 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.403 -5.490 -1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.218 -7.167 -1.171 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.851 -6.555 1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.124 -6.854 0.880 1.00 0.00 H new ATOM 1530 N LYS A 95 18.515 -8.916 -2.845 1.00 0.00 N ATOM 1531 CA LYS A 95 18.706 -10.358 -2.717 1.00 0.00 C ATOM 1532 C LYS A 95 19.107 -10.724 -1.294 1.00 0.00 C ATOM 1533 O LYS A 95 19.207 -11.897 -0.943 1.00 0.00 O ATOM 1534 CB LYS A 95 19.744 -10.854 -3.719 1.00 0.00 C ATOM 1535 CG LYS A 95 19.319 -10.668 -5.166 1.00 0.00 C ATOM 1536 CD LYS A 95 20.385 -11.123 -6.140 1.00 0.00 C ATOM 1537 CE LYS A 95 20.556 -12.631 -6.142 1.00 0.00 C ATOM 1538 NZ LYS A 95 21.486 -13.105 -5.083 1.00 0.00 N ATOM 0 H LYS A 95 19.356 -8.361 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 95 17.759 -10.850 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 95 20.682 -10.325 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.938 -11.911 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 95 18.401 -11.227 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.092 -9.617 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 95 20.124 -10.788 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.334 -10.652 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.583 -13.103 -6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.929 -12.949 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 22.149 -13.796 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 22.018 -12.297 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 20.942 -13.554 -4.319 1.00 0.00 H new ATOM 1552 N GLU A 96 19.315 -9.702 -0.487 1.00 0.00 N ATOM 1553 CA GLU A 96 19.668 -9.858 0.914 1.00 0.00 C ATOM 1554 C GLU A 96 18.399 -9.675 1.741 1.00 0.00 C ATOM 1555 O GLU A 96 17.334 -10.091 1.279 1.00 0.00 O ATOM 1556 CB GLU A 96 20.782 -8.859 1.339 1.00 0.00 C ATOM 1557 CG GLU A 96 21.106 -7.783 0.310 1.00 0.00 C ATOM 1558 CD GLU A 96 21.797 -8.320 -0.934 1.00 0.00 C ATOM 1559 OE1 GLU A 96 22.930 -8.836 -0.814 1.00 0.00 O ATOM 1560 OE2 GLU A 96 21.203 -8.237 -2.030 1.00 0.00 O ATOM 0 H GLU A 96 19.243 -8.730 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 96 20.078 -10.853 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.480 -8.374 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.691 -9.421 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 96 20.183 -7.283 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 96 21.743 -7.029 0.773 1.00 0.00 H new ATOM 1567 N GLU A 97 18.532 -9.163 2.976 1.00 0.00 N ATOM 1568 CA GLU A 97 17.393 -8.920 3.892 1.00 0.00 C ATOM 1569 C GLU A 97 16.067 -8.627 3.179 1.00 0.00 C ATOM 1570 O GLU A 97 16.064 -8.072 2.076 1.00 0.00 O ATOM 1571 CB GLU A 97 17.694 -7.758 4.834 1.00 0.00 C ATOM 1572 CG GLU A 97 18.823 -8.028 5.810 1.00 0.00 C ATOM 1573 CD GLU A 97 18.609 -9.296 6.609 1.00 0.00 C ATOM 1574 OE1 GLU A 97 17.914 -9.240 7.644 1.00 0.00 O ATOM 1575 OE2 GLU A 97 19.135 -10.352 6.206 1.00 0.00 O ATOM 0 H GLU A 97 19.435 -8.903 3.374 1.00 0.00 H new ATOM 0 HA GLU A 97 17.273 -9.853 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 97 17.944 -6.879 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.792 -7.517 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.762 -8.102 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.918 -7.184 6.493 1.00 0.00 H new ATOM 1582 N PRO A 98 14.930 -8.892 3.866 1.00 0.00 N ATOM 1583 CA PRO A 98 13.610 -9.064 3.254 1.00 0.00 C ATOM 1584 C PRO A 98 13.386 -8.227 2.003 1.00 0.00 C ATOM 1585 O PRO A 98 13.491 -6.999 2.019 1.00 0.00 O ATOM 1586 CB PRO A 98 12.629 -8.655 4.367 1.00 0.00 C ATOM 1587 CG PRO A 98 13.481 -8.278 5.534 1.00 0.00 C ATOM 1588 CD PRO A 98 14.802 -8.961 5.320 1.00 0.00 C ATOM 0 HA PRO A 98 13.482 -10.088 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.004 -7.819 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.959 -9.476 4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.606 -7.197 5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 98 13.024 -8.598 6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.617 -8.447 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.797 -9.989 5.684 1.00 0.00 H new ATOM 1596 N ARG A 99 13.057 -8.908 0.917 1.00 0.00 N ATOM 1597 CA ARG A 99 12.907 -8.259 -0.371 1.00 0.00 C ATOM 1598 C ARG A 99 11.465 -7.820 -0.568 1.00 0.00 C ATOM 1599 O ARG A 99 11.012 -7.603 -1.696 1.00 0.00 O ATOM 1600 CB ARG A 99 13.339 -9.189 -1.508 1.00 0.00 C ATOM 1601 CG ARG A 99 14.707 -9.822 -1.308 1.00 0.00 C ATOM 1602 CD ARG A 99 14.597 -11.165 -0.634 1.00 0.00 C ATOM 1603 NE ARG A 99 15.876 -11.856 -0.499 1.00 0.00 N ATOM 1604 CZ ARG A 99 16.023 -13.170 -0.676 1.00 0.00 C ATOM 1605 NH1 ARG A 99 14.998 -13.898 -1.098 1.00 0.00 N ATOM 1606 NH2 ARG A 99 17.190 -13.751 -0.441 1.00 0.00 N ATOM 0 H ARG A 99 12.889 -9.914 0.904 1.00 0.00 H new ATOM 0 HA ARG A 99 13.552 -7.381 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.597 -9.980 -1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.344 -8.626 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.201 -9.937 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.331 -9.161 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.159 -11.031 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.912 -11.793 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 99 16.700 -11.306 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.100 -13.453 -1.286 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.108 -14.903 -1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.983 -13.193 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.296 -14.756 -0.578 1.00 0.00 H new ATOM 1620 N LYS A 100 10.743 -7.714 0.538 1.00 0.00 N ATOM 1621 CA LYS A 100 9.363 -7.260 0.515 1.00 0.00 C ATOM 1622 C LYS A 100 8.961 -6.719 1.874 1.00 0.00 C ATOM 1623 O LYS A 100 9.540 -7.085 2.896 1.00 0.00 O ATOM 1624 CB LYS A 100 8.413 -8.390 0.118 1.00 0.00 C ATOM 1625 CG LYS A 100 8.429 -9.572 1.071 1.00 0.00 C ATOM 1626 CD LYS A 100 7.118 -10.365 0.992 1.00 0.00 C ATOM 1627 CE LYS A 100 6.816 -10.919 -0.415 1.00 0.00 C ATOM 1628 NZ LYS A 100 5.585 -11.755 -0.415 1.00 0.00 N ATOM 0 H LYS A 100 11.095 -7.939 1.469 1.00 0.00 H new ATOM 0 HA LYS A 100 9.291 -6.467 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.399 -7.995 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.676 -8.738 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.268 -10.225 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.583 -9.219 2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.161 -11.194 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.295 -9.722 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.697 -10.092 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.661 -11.513 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.313 -11.973 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.767 -12.641 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.813 -11.237 0.051 1.00 0.00 H new ATOM 1642 N VAL A 101 7.978 -5.842 1.873 1.00 0.00 N ATOM 1643 CA VAL A 101 7.434 -5.305 3.099 1.00 0.00 C ATOM 1644 C VAL A 101 5.909 -5.383 3.061 1.00 0.00 C ATOM 1645 O VAL A 101 5.299 -5.174 2.009 1.00 0.00 O ATOM 1646 CB VAL A 101 7.903 -3.851 3.300 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.314 -2.927 2.242 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.584 -3.362 4.699 1.00 0.00 C ATOM 0 H VAL A 101 7.537 -5.484 1.026 1.00 0.00 H new ATOM 0 HA VAL A 101 7.794 -5.896 3.941 1.00 0.00 H new ATOM 0 HB VAL A 101 8.987 -3.834 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.664 -1.909 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.630 -3.259 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.226 -2.951 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.926 -2.333 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.507 -3.406 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.089 -3.994 5.429 1.00 0.00 H new ATOM 1658 N ARG A 102 5.294 -5.717 4.188 1.00 0.00 N ATOM 1659 CA ARG A 102 3.850 -5.858 4.235 1.00 0.00 C ATOM 1660 C ARG A 102 3.230 -4.838 5.180 1.00 0.00 C ATOM 1661 O ARG A 102 3.433 -4.893 6.395 1.00 0.00 O ATOM 1662 CB ARG A 102 3.448 -7.269 4.660 1.00 0.00 C ATOM 1663 CG ARG A 102 2.016 -7.592 4.254 1.00 0.00 C ATOM 1664 CD ARG A 102 1.648 -9.029 4.570 1.00 0.00 C ATOM 1665 NE ARG A 102 2.362 -9.962 3.703 1.00 0.00 N ATOM 1666 CZ ARG A 102 2.291 -11.285 3.808 1.00 0.00 C ATOM 1667 NH1 ARG A 102 1.514 -11.846 4.727 1.00 0.00 N ATOM 1668 NH2 ARG A 102 2.982 -12.044 2.973 1.00 0.00 N ATOM 0 H ARG A 102 5.770 -5.893 5.073 1.00 0.00 H new ATOM 0 HA ARG A 102 3.473 -5.676 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.127 -7.993 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.551 -7.367 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.332 -6.920 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.892 -7.412 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.882 -9.246 5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.573 -9.167 4.449 1.00 0.00 H new ATOM 0 HE ARG A 102 2.954 -9.573 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.967 -11.261 5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.464 -12.862 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.564 -11.613 2.255 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.933 -13.060 3.047 1.00 0.00 H new ATOM 1682 N PHE A 103 2.467 -3.913 4.620 1.00 0.00 N ATOM 1683 CA PHE A 103 1.804 -2.890 5.403 1.00 0.00 C ATOM 1684 C PHE A 103 0.326 -3.228 5.570 1.00 0.00 C ATOM 1685 O PHE A 103 -0.476 -3.012 4.660 1.00 0.00 O ATOM 1686 CB PHE A 103 1.973 -1.521 4.731 1.00 0.00 C ATOM 1687 CG PHE A 103 3.406 -1.100 4.574 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.318 -1.286 5.600 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.836 -0.507 3.399 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.633 -0.888 5.455 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.148 -0.110 3.251 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.046 -0.300 4.277 1.00 0.00 C ATOM 0 H PHE A 103 2.292 -3.852 3.617 1.00 0.00 H new ATOM 0 HA PHE A 103 2.261 -2.850 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.501 -1.547 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.445 -0.770 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.998 -1.747 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.137 -0.354 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.336 -1.037 6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.472 0.351 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.074 0.011 4.160 1.00 0.00 H new ATOM 1702 N ASP A 104 -0.020 -3.794 6.724 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.415 -4.094 7.052 1.00 0.00 C ATOM 1704 C ASP A 104 -2.179 -2.801 7.291 1.00 0.00 C ATOM 1705 O ASP A 104 -2.268 -2.301 8.411 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.514 -5.028 8.274 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.780 -4.510 9.500 1.00 0.00 C ATOM 1708 OD1 ASP A 104 0.468 -4.401 9.457 1.00 0.00 O ATOM 1709 OD2 ASP A 104 -1.440 -4.230 10.522 1.00 0.00 O ATOM 0 H ASP A 104 0.647 -4.055 7.450 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.864 -4.616 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.565 -5.173 8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.112 -6.005 8.007 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.717 -2.249 6.220 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.374 -0.966 6.294 1.00 0.00 C ATOM 1716 C TYR A 105 -4.875 -1.135 6.489 1.00 0.00 C ATOM 1717 O TYR A 105 -5.536 -1.839 5.727 1.00 0.00 O ATOM 1718 CB TYR A 105 -3.075 -0.149 5.037 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.669 1.228 5.091 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.221 2.152 6.021 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.690 1.595 4.235 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.779 3.408 6.102 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.250 2.848 4.298 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.794 3.754 5.234 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.381 4.994 5.333 1.00 0.00 O ATOM 0 H TYR A 105 -2.710 -2.671 5.292 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.986 -0.427 7.158 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.996 -0.071 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.464 -0.675 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.420 1.882 6.694 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.053 0.886 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.426 4.115 6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.043 3.123 3.618 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.118 5.414 6.179 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.398 -0.501 7.529 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.824 -0.560 7.820 1.00 0.00 C ATOM 1737 C ASP A 106 -7.602 0.287 6.821 1.00 0.00 C ATOM 1738 O ASP A 106 -7.461 1.514 6.785 1.00 0.00 O ATOM 1739 CB ASP A 106 -7.107 -0.072 9.243 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.565 -0.238 9.639 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.919 -1.310 10.172 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -9.362 0.702 9.435 1.00 0.00 O ATOM 0 H ASP A 106 -4.856 0.061 8.186 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.145 -1.598 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.479 -0.623 9.944 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.830 0.979 9.325 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.399 -0.362 5.993 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.221 0.338 5.029 1.00 0.00 C ATOM 1749 C LEU A 107 -10.567 0.689 5.647 1.00 0.00 C ATOM 1750 O LEU A 107 -11.443 -0.165 5.747 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.453 -0.535 3.799 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.859 -0.017 2.492 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.345 -0.140 2.489 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.461 -0.773 1.330 1.00 0.00 C ATOM 0 H LEU A 107 -8.493 -1.377 5.970 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.703 1.251 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.040 -1.524 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.527 -0.659 3.663 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.100 1.042 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.951 0.237 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.931 0.441 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.065 -1.187 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.037 -0.403 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.240 -1.835 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.541 -0.626 1.321 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.736 1.930 6.075 1.00 0.00 N ATOM 1767 CA PHE A 108 -12.015 2.346 6.635 1.00 0.00 C ATOM 1768 C PHE A 108 -12.736 3.281 5.674 1.00 0.00 C ATOM 1769 O PHE A 108 -12.112 4.077 4.973 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.857 3.007 8.019 1.00 0.00 C ATOM 1771 CG PHE A 108 -11.161 4.342 8.014 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -11.882 5.511 7.821 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -9.792 4.432 8.213 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -11.253 6.739 7.824 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -9.159 5.660 8.217 1.00 0.00 C ATOM 1776 CZ PHE A 108 -9.889 6.814 8.022 1.00 0.00 C ATOM 0 H PHE A 108 -10.020 2.656 6.048 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.616 1.448 6.775 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.846 3.132 8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.303 2.328 8.667 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.950 5.459 7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.214 3.533 8.367 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.827 7.641 7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.092 5.716 8.373 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.394 7.774 8.024 1.00 0.00 H new ATOM 1786 N LEU A 109 -14.048 3.160 5.625 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.872 4.021 4.795 1.00 0.00 C ATOM 1788 C LEU A 109 -15.761 4.848 5.719 1.00 0.00 C ATOM 1789 O LEU A 109 -16.002 4.442 6.850 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.725 3.165 3.844 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.963 2.065 3.089 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.884 1.315 2.140 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.794 2.651 2.316 1.00 0.00 C ATOM 0 H LEU A 109 -14.573 2.465 6.157 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.253 4.681 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.525 2.700 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.197 3.823 3.115 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.580 1.363 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.319 0.542 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.692 0.853 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.302 2.011 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.270 1.854 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.164 3.380 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.109 3.141 3.008 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.224 6.008 5.275 1.00 0.00 N ATOM 1806 CA HIS A 110 -17.138 6.801 6.096 1.00 0.00 C ATOM 1807 C HIS A 110 -18.582 6.565 5.663 1.00 0.00 C ATOM 1808 O HIS A 110 -18.828 5.895 4.660 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.792 8.297 6.069 1.00 0.00 C ATOM 1810 CG HIS A 110 -15.627 8.668 6.946 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -14.796 9.738 6.684 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -15.165 8.112 8.093 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -13.875 9.819 7.628 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -14.077 8.847 8.494 1.00 0.00 N ATOM 0 H HIS A 110 -15.990 6.418 4.371 1.00 0.00 H new ATOM 0 HA HIS A 110 -17.023 6.469 7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.570 8.590 5.043 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.666 8.868 6.382 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -15.577 7.250 8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.089 10.558 7.681 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.516 8.669 9.327 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.522 7.127 6.407 1.00 0.00 N ATOM 1824 CA LEU A 111 -20.937 6.786 6.261 1.00 0.00 C ATOM 1825 C LEU A 111 -21.539 7.199 4.919 1.00 0.00 C ATOM 1826 O LEU A 111 -21.289 8.289 4.395 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.744 7.387 7.411 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.280 6.360 8.411 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.417 5.564 7.797 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.172 5.421 8.852 1.00 0.00 C ATOM 0 H LEU A 111 -19.333 7.827 7.124 1.00 0.00 H new ATOM 0 HA LEU A 111 -20.992 5.698 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -21.117 8.102 7.944 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.584 7.945 6.997 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.656 6.896 9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.786 4.838 8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.225 6.240 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.058 5.041 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.570 4.697 9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.773 4.896 7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.376 5.995 9.326 1.00 0.00 H new ATOM 1910 N VAL A 117 -13.211 10.676 2.933 1.00 0.00 N ATOM 1911 CA VAL A 117 -12.126 9.852 3.432 1.00 0.00 C ATOM 1912 C VAL A 117 -10.832 10.136 2.693 1.00 0.00 C ATOM 1913 O VAL A 117 -10.741 9.931 1.485 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.452 8.351 3.320 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -11.231 7.503 3.633 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.602 7.979 4.235 1.00 0.00 C ATOM 0 HA VAL A 117 -12.002 10.108 4.484 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.751 8.152 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.489 6.448 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.433 7.740 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.893 7.712 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.814 6.914 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.333 8.203 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.487 8.552 3.958 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.856 10.646 3.420 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.510 10.816 2.903 1.00 0.00 C ATOM 1928 C ASN A 118 -7.517 10.589 4.040 1.00 0.00 C ATOM 1929 O ASN A 118 -7.339 11.463 4.889 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.336 12.221 2.323 1.00 0.00 C ATOM 1931 CG ASN A 118 -7.111 12.344 1.426 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.233 12.342 0.202 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -5.922 12.415 2.009 1.00 0.00 N ATOM 0 H ASN A 118 -9.973 10.954 4.385 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.330 10.095 2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.226 12.486 1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.256 12.938 3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.077 12.470 1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.852 12.415 3.027 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.895 9.417 4.086 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.987 9.088 5.183 1.00 0.00 C ATOM 1942 C HIS A 119 -4.610 8.703 4.661 1.00 0.00 C ATOM 1943 O HIS A 119 -4.490 8.091 3.599 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.551 7.942 6.020 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.841 7.746 7.327 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.887 6.771 7.526 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -5.943 8.414 8.499 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -4.435 6.846 8.765 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -5.060 7.835 9.375 1.00 0.00 N ATOM 0 H HIS A 119 -7.000 8.684 3.385 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.889 9.977 5.806 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.607 8.131 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.493 7.019 5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -6.598 9.248 8.706 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -3.683 6.207 9.204 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.911 8.123 10.342 1.00 0.00 H new ATOM 1958 N LEU A 120 -3.584 9.050 5.430 1.00 0.00 N ATOM 1959 CA LEU A 120 -2.204 8.772 5.070 1.00 0.00 C ATOM 1960 C LEU A 120 -1.361 8.462 6.299 1.00 0.00 C ATOM 1961 O LEU A 120 -1.631 8.966 7.392 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.617 9.973 4.334 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.798 9.947 2.832 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.613 11.334 2.265 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.788 8.997 2.221 1.00 0.00 C ATOM 0 H LEU A 120 -3.689 9.533 6.322 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.191 7.896 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.076 10.881 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.552 10.033 4.557 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.805 9.605 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.745 11.306 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.350 12.007 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.610 11.692 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.916 8.976 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.220 9.335 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.941 7.996 2.624 1.00 0.00 H new ATOM 1977 N ARG A 121 -0.360 7.608 6.113 1.00 0.00 N ATOM 1978 CA ARG A 121 0.628 7.329 7.142 1.00 0.00 C ATOM 1979 C ARG A 121 1.917 6.813 6.509 1.00 0.00 C ATOM 1980 O ARG A 121 1.888 6.168 5.461 1.00 0.00 O ATOM 1981 CB ARG A 121 0.079 6.358 8.194 1.00 0.00 C ATOM 1982 CG ARG A 121 -0.501 5.039 7.653 1.00 0.00 C ATOM 1983 CD ARG A 121 0.517 3.964 7.275 1.00 0.00 C ATOM 1984 NE ARG A 121 -0.154 2.681 7.059 1.00 0.00 N ATOM 1985 CZ ARG A 121 0.233 1.531 7.620 1.00 0.00 C ATOM 1986 NH1 ARG A 121 1.330 1.481 8.362 1.00 0.00 N ATOM 1987 NH2 ARG A 121 -0.471 0.424 7.422 1.00 0.00 N ATOM 0 H ARG A 121 -0.213 7.092 5.245 1.00 0.00 H new ATOM 0 HA ARG A 121 0.858 8.259 7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.880 6.120 8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.699 6.869 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.174 4.626 8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.105 5.264 6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.050 4.260 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.261 3.864 8.065 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.967 2.663 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.886 2.324 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.619 0.600 8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.309 0.450 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.174 -0.453 7.851 1.00 0.00 H new ATOM 2001 N CYS A 122 3.040 7.108 7.141 1.00 0.00 N ATOM 2002 CA CYS A 122 4.340 6.820 6.554 1.00 0.00 C ATOM 2003 C CYS A 122 5.098 5.756 7.341 1.00 0.00 C ATOM 2004 O CYS A 122 5.175 5.809 8.570 1.00 0.00 O ATOM 2005 CB CYS A 122 5.159 8.103 6.484 1.00 0.00 C ATOM 2006 SG CYS A 122 4.316 9.463 5.645 1.00 0.00 S ATOM 0 H CYS A 122 3.079 7.547 8.061 1.00 0.00 H new ATOM 0 HA CYS A 122 4.178 6.427 5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 122 5.414 8.416 7.497 1.00 0.00 H new ATOM 0 HB3 CYS A 122 6.097 7.896 5.969 1.00 0.00 H new ATOM 0 HG CYS A 122 4.550 10.575 6.277 1.00 0.00 H new ATOM 2012 N GLU A 123 5.657 4.796 6.622 1.00 0.00 N ATOM 2013 CA GLU A 123 6.460 3.747 7.220 1.00 0.00 C ATOM 2014 C GLU A 123 7.938 4.015 6.973 1.00 0.00 C ATOM 2015 O GLU A 123 8.304 4.672 5.997 1.00 0.00 O ATOM 2016 CB GLU A 123 6.085 2.391 6.638 1.00 0.00 C ATOM 2017 CG GLU A 123 4.682 1.916 6.997 1.00 0.00 C ATOM 2018 CD GLU A 123 4.328 2.141 8.452 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.837 1.388 9.310 1.00 0.00 O ATOM 2020 OE2 GLU A 123 3.511 3.039 8.740 1.00 0.00 O ATOM 0 H GLU A 123 5.566 4.724 5.609 1.00 0.00 H new ATOM 0 HA GLU A 123 6.268 3.737 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.172 2.439 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.806 1.650 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.958 2.436 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.596 0.853 6.769 1.00 0.00 H new ATOM 2027 N LYS A 124 8.781 3.499 7.850 1.00 0.00 N ATOM 2028 CA LYS A 124 10.212 3.732 7.764 1.00 0.00 C ATOM 2029 C LYS A 124 10.972 2.416 7.858 1.00 0.00 C ATOM 2030 O LYS A 124 10.793 1.657 8.812 1.00 0.00 O ATOM 2031 CB LYS A 124 10.658 4.659 8.892 1.00 0.00 C ATOM 2032 CG LYS A 124 12.156 4.926 8.905 1.00 0.00 C ATOM 2033 CD LYS A 124 12.617 5.479 10.228 1.00 0.00 C ATOM 2034 CE LYS A 124 12.548 4.407 11.292 1.00 0.00 C ATOM 2035 NZ LYS A 124 13.318 4.765 12.510 1.00 0.00 N ATOM 0 H LYS A 124 8.497 2.912 8.635 1.00 0.00 H new ATOM 0 HA LYS A 124 10.429 4.199 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.129 5.608 8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.367 4.221 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.691 4.001 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.406 5.629 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.638 5.850 10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.994 6.326 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.506 4.234 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.931 3.471 10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.239 3.998 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.318 4.904 12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.937 5.644 12.916 1.00 0.00 H new ATOM 2049 N LEU A 125 11.818 2.142 6.876 1.00 0.00 N ATOM 2050 CA LEU A 125 12.598 0.913 6.871 1.00 0.00 C ATOM 2051 C LEU A 125 14.091 1.237 6.892 1.00 0.00 C ATOM 2052 O LEU A 125 14.624 1.782 5.927 1.00 0.00 O ATOM 2053 CB LEU A 125 12.251 0.093 5.628 1.00 0.00 C ATOM 2054 CG LEU A 125 10.749 -0.068 5.355 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.458 -0.002 3.864 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.243 -1.386 5.923 1.00 0.00 C ATOM 0 H LEU A 125 11.982 2.752 6.075 1.00 0.00 H new ATOM 0 HA LEU A 125 12.358 0.331 7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.714 0.563 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.695 -0.897 5.729 1.00 0.00 H new ATOM 0 HG LEU A 125 10.229 0.754 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.387 -0.119 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.784 0.962 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.994 -0.802 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.176 -1.484 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.778 -2.213 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.411 -1.407 7.000 1.00 0.00 H new ATOM 2068 N THR A 126 14.752 0.919 7.999 1.00 0.00 N ATOM 2069 CA THR A 126 16.177 1.197 8.160 1.00 0.00 C ATOM 2070 C THR A 126 17.005 -0.051 7.879 1.00 0.00 C ATOM 2071 O THR A 126 16.754 -1.114 8.447 1.00 0.00 O ATOM 2072 CB THR A 126 16.491 1.675 9.586 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.412 2.482 10.081 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.770 2.486 9.595 1.00 0.00 C ATOM 0 H THR A 126 14.321 0.465 8.805 1.00 0.00 H new ATOM 0 HA THR A 126 16.433 1.982 7.448 1.00 0.00 H new ATOM 0 HB THR A 126 16.615 0.802 10.227 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.618 2.782 10.991 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.982 2.819 10.611 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.594 1.870 9.236 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.655 3.353 8.945 1.00 0.00 H new ATOM 2082 N PHE A 127 17.979 0.077 7.000 1.00 0.00 N ATOM 2083 CA PHE A 127 18.857 -1.036 6.675 1.00 0.00 C ATOM 2084 C PHE A 127 20.295 -0.715 7.061 1.00 0.00 C ATOM 2085 O PHE A 127 20.977 0.053 6.383 1.00 0.00 O ATOM 2086 CB PHE A 127 18.749 -1.369 5.186 1.00 0.00 C ATOM 2087 CG PHE A 127 17.336 -1.655 4.762 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.809 -2.933 4.862 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.527 -0.637 4.287 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.500 -3.187 4.495 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.224 -0.884 3.916 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.707 -2.159 4.022 1.00 0.00 C ATOM 0 H PHE A 127 18.185 0.940 6.496 1.00 0.00 H new ATOM 0 HA PHE A 127 18.546 -1.910 7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 127 19.139 -0.536 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.374 -2.234 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.427 -3.739 5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.923 0.364 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.099 -4.186 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.607 -0.080 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.684 -2.353 3.736 1.00 0.00 H new ATOM 2102 N ASN A 128 20.733 -1.294 8.174 1.00 0.00 N ATOM 2103 CA ASN A 128 22.079 -1.068 8.697 1.00 0.00 C ATOM 2104 C ASN A 128 23.120 -1.770 7.843 1.00 0.00 C ATOM 2105 O ASN A 128 23.090 -2.995 7.706 1.00 0.00 O ATOM 2106 CB ASN A 128 22.188 -1.559 10.142 1.00 0.00 C ATOM 2107 CG ASN A 128 21.323 -0.764 11.101 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.760 0.239 11.669 1.00 0.00 O ATOM 2109 ND2 ASN A 128 20.090 -1.207 11.296 1.00 0.00 N ATOM 0 H ASN A 128 20.169 -1.930 8.738 1.00 0.00 H new ATOM 0 HA ASN A 128 22.267 0.005 8.669 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.900 -2.609 10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 128 23.228 -1.499 10.463 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.466 -0.714 11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.765 -2.041 10.807 1.00 0.00 H new ATOM 2116 N ASN A 129 24.020 -0.979 7.262 1.00 0.00 N ATOM 2117 CA ASN A 129 25.137 -1.490 6.463 1.00 0.00 C ATOM 2118 C ASN A 129 24.668 -2.453 5.371 1.00 0.00 C ATOM 2119 O ASN A 129 24.936 -3.654 5.433 1.00 0.00 O ATOM 2120 CB ASN A 129 26.175 -2.185 7.354 1.00 0.00 C ATOM 2121 CG ASN A 129 26.866 -1.227 8.319 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.195 -0.096 7.955 1.00 0.00 O ATOM 2123 ND2 ASN A 129 27.044 -1.642 9.576 1.00 0.00 N ATOM 0 H ASN A 129 23.997 0.038 7.331 1.00 0.00 H new ATOM 0 HA ASN A 129 25.598 -0.629 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.687 -2.976 7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.926 -2.662 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 129 27.462 -1.017 10.265 1.00 0.00 H new ATOM 0 HD22 ASN A 129 26.761 -2.584 9.847 1.00 0.00 H new ATOM 2130 N PRO A 130 23.964 -1.942 4.351 1.00 0.00 N ATOM 2131 CA PRO A 130 23.526 -2.748 3.226 1.00 0.00 C ATOM 2132 C PRO A 130 24.585 -2.792 2.128 1.00 0.00 C ATOM 2133 O PRO A 130 25.354 -1.836 1.960 1.00 0.00 O ATOM 2134 CB PRO A 130 22.274 -2.011 2.754 1.00 0.00 C ATOM 2135 CG PRO A 130 22.489 -0.576 3.125 1.00 0.00 C ATOM 2136 CD PRO A 130 23.544 -0.539 4.206 1.00 0.00 C ATOM 0 HA PRO A 130 23.344 -3.790 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.136 -2.122 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.380 -2.410 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.809 0.000 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.561 -0.129 3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.381 0.100 3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 130 23.143 -0.145 5.140 1.00 0.00 H new ATOM 2144 N THR A 131 24.635 -3.904 1.398 1.00 0.00 N ATOM 2145 CA THR A 131 25.589 -4.065 0.301 1.00 0.00 C ATOM 2146 C THR A 131 25.448 -2.927 -0.710 1.00 0.00 C ATOM 2147 O THR A 131 24.401 -2.269 -0.763 1.00 0.00 O ATOM 2148 CB THR A 131 25.421 -5.420 -0.434 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.354 -5.511 -1.517 1.00 0.00 O ATOM 2150 CG2 THR A 131 24.004 -5.585 -0.972 1.00 0.00 C ATOM 0 H THR A 131 24.026 -4.708 1.546 1.00 0.00 H new ATOM 0 HA THR A 131 26.582 -4.042 0.750 1.00 0.00 H new ATOM 0 HB THR A 131 25.613 -6.216 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 131 26.242 -6.371 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.918 -6.544 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.294 -5.548 -0.145 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.785 -4.780 -1.674 1.00 0.00 H new ATOM 2158 N GLU A 132 26.489 -2.707 -1.513 1.00 0.00 N ATOM 2159 CA GLU A 132 26.523 -1.571 -2.432 1.00 0.00 C ATOM 2160 C GLU A 132 25.265 -1.531 -3.287 1.00 0.00 C ATOM 2161 O GLU A 132 24.608 -0.507 -3.347 1.00 0.00 O ATOM 2162 CB GLU A 132 27.757 -1.618 -3.338 1.00 0.00 C ATOM 2163 CG GLU A 132 27.996 -0.328 -4.107 1.00 0.00 C ATOM 2164 CD GLU A 132 28.318 0.839 -3.202 1.00 0.00 C ATOM 2165 OE1 GLU A 132 29.171 0.684 -2.303 1.00 0.00 O ATOM 2166 OE2 GLU A 132 27.735 1.923 -3.398 1.00 0.00 O ATOM 0 H GLU A 132 27.318 -3.300 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 132 26.574 -0.667 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.635 -1.837 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.646 -2.439 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.816 -0.475 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.110 -0.092 -4.697 1.00 0.00 H new ATOM 2173 N ASP A 133 24.910 -2.662 -3.901 1.00 0.00 N ATOM 2174 CA ASP A 133 23.749 -2.723 -4.799 1.00 0.00 C ATOM 2175 C ASP A 133 22.491 -2.204 -4.119 1.00 0.00 C ATOM 2176 O ASP A 133 21.718 -1.436 -4.702 1.00 0.00 O ATOM 2177 CB ASP A 133 23.489 -4.155 -5.280 1.00 0.00 C ATOM 2178 CG ASP A 133 24.501 -4.622 -6.298 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.585 -5.092 -5.896 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.217 -4.515 -7.510 1.00 0.00 O ATOM 0 H ASP A 133 25.407 -3.547 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 133 23.986 -2.090 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.504 -4.829 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.491 -4.212 -5.714 1.00 0.00 H new ATOM 2185 N PHE A 134 22.284 -2.623 -2.881 1.00 0.00 N ATOM 2186 CA PHE A 134 21.088 -2.242 -2.160 1.00 0.00 C ATOM 2187 C PHE A 134 21.150 -0.776 -1.778 1.00 0.00 C ATOM 2188 O PHE A 134 20.251 -0.002 -2.107 1.00 0.00 O ATOM 2189 CB PHE A 134 20.890 -3.101 -0.911 1.00 0.00 C ATOM 2190 CG PHE A 134 19.496 -2.980 -0.365 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.412 -2.899 -1.228 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.262 -2.928 0.999 1.00 0.00 C ATOM 2193 CE1 PHE A 134 17.136 -2.770 -0.745 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.976 -2.803 1.487 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.913 -2.724 0.611 1.00 0.00 C ATOM 0 H PHE A 134 22.925 -3.222 -2.361 1.00 0.00 H new ATOM 0 HA PHE A 134 20.236 -2.406 -2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 134 21.097 -4.144 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.607 -2.801 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.576 -2.938 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 134 20.092 -2.986 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.304 -2.704 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.803 -2.767 2.552 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.906 -2.626 0.990 1.00 0.00 H new ATOM 2205 N ARG A 135 22.231 -0.408 -1.109 1.00 0.00 N ATOM 2206 CA ARG A 135 22.461 0.963 -0.681 1.00 0.00 C ATOM 2207 C ARG A 135 22.352 1.924 -1.860 1.00 0.00 C ATOM 2208 O ARG A 135 21.663 2.937 -1.798 1.00 0.00 O ATOM 2209 CB ARG A 135 23.849 1.067 -0.062 1.00 0.00 C ATOM 2210 CG ARG A 135 24.218 2.475 0.340 1.00 0.00 C ATOM 2211 CD ARG A 135 25.664 2.554 0.825 1.00 0.00 C ATOM 2212 NE ARG A 135 25.985 1.499 1.790 1.00 0.00 N ATOM 2213 CZ ARG A 135 26.733 1.689 2.876 1.00 0.00 C ATOM 2214 NH1 ARG A 135 27.092 2.916 3.234 1.00 0.00 N ATOM 2215 NH2 ARG A 135 27.090 0.656 3.628 1.00 0.00 N ATOM 0 H ARG A 135 22.976 -1.053 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 135 21.703 1.234 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 135 23.898 0.421 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.586 0.694 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 135 24.080 3.145 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 135 23.549 2.817 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.336 2.478 -0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 135 25.839 3.528 1.283 1.00 0.00 H new ATOM 0 HE ARG A 135 25.614 0.564 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 135 26.795 3.717 2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 135 27.665 3.057 4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 135 26.792 -0.286 3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 135 27.663 0.804 4.459 1.00 0.00 H new ATOM 2229 N ARG A 136 23.042 1.564 -2.924 1.00 0.00 N ATOM 2230 CA ARG A 136 23.063 2.308 -4.177 1.00 0.00 C ATOM 2231 C ARG A 136 21.653 2.666 -4.646 1.00 0.00 C ATOM 2232 O ARG A 136 21.384 3.810 -5.019 1.00 0.00 O ATOM 2233 CB ARG A 136 23.774 1.436 -5.208 1.00 0.00 C ATOM 2234 CG ARG A 136 23.917 2.015 -6.592 1.00 0.00 C ATOM 2235 CD ARG A 136 24.284 0.919 -7.573 1.00 0.00 C ATOM 2236 NE ARG A 136 23.115 0.200 -8.076 1.00 0.00 N ATOM 2237 CZ ARG A 136 23.064 -1.123 -8.213 1.00 0.00 C ATOM 2238 NH1 ARG A 136 24.114 -1.864 -7.888 1.00 0.00 N ATOM 2239 NH2 ARG A 136 21.969 -1.704 -8.690 1.00 0.00 N ATOM 0 H ARG A 136 23.620 0.724 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 136 23.588 3.253 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 136 24.770 1.204 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 136 23.235 0.492 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 136 22.984 2.490 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 136 24.684 2.789 -6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 136 24.827 1.354 -8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 136 24.959 0.214 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 136 22.292 0.743 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 136 24.961 -1.420 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 136 24.075 -2.878 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 136 21.164 -1.136 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 136 21.934 -2.718 -8.794 1.00 0.00 H new ATOM 2253 N LYS A 137 20.749 1.692 -4.613 1.00 0.00 N ATOM 2254 CA LYS A 137 19.374 1.933 -5.032 1.00 0.00 C ATOM 2255 C LYS A 137 18.638 2.801 -4.013 1.00 0.00 C ATOM 2256 O LYS A 137 17.948 3.760 -4.378 1.00 0.00 O ATOM 2257 CB LYS A 137 18.618 0.618 -5.250 1.00 0.00 C ATOM 2258 CG LYS A 137 19.084 -0.160 -6.476 1.00 0.00 C ATOM 2259 CD LYS A 137 18.144 -1.315 -6.803 1.00 0.00 C ATOM 2260 CE LYS A 137 18.693 -2.666 -6.360 1.00 0.00 C ATOM 2261 NZ LYS A 137 19.130 -2.669 -4.939 1.00 0.00 N ATOM 0 H LYS A 137 20.941 0.739 -4.304 1.00 0.00 H new ATOM 0 HA LYS A 137 19.411 2.466 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.735 -0.009 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.554 0.833 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.145 0.512 -7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.088 -0.546 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 137 17.182 -1.143 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.962 -1.336 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 137 17.928 -3.429 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.536 -2.937 -6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.253 -3.650 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 20.033 -2.160 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.410 -2.199 -4.354 1.00 0.00 H new ATOM 2275 N LEU A 138 18.802 2.462 -2.736 1.00 0.00 N ATOM 2276 CA LEU A 138 18.186 3.214 -1.638 1.00 0.00 C ATOM 2277 C LEU A 138 18.569 4.693 -1.699 1.00 0.00 C ATOM 2278 O LEU A 138 17.755 5.571 -1.413 1.00 0.00 O ATOM 2279 CB LEU A 138 18.616 2.646 -0.283 1.00 0.00 C ATOM 2280 CG LEU A 138 18.382 1.151 -0.066 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.637 0.783 1.386 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.979 0.754 -0.475 1.00 0.00 C ATOM 0 H LEU A 138 19.361 1.665 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 138 17.106 3.119 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.679 2.848 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.088 3.191 0.499 1.00 0.00 H new ATOM 0 HG LEU A 138 19.083 0.603 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.467 -0.284 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.668 1.023 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.960 1.346 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.841 -0.314 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.255 1.310 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.830 0.980 -1.531 1.00 0.00 H new ATOM 2294 N LEU A 139 19.817 4.954 -2.066 1.00 0.00 N ATOM 2295 CA LEU A 139 20.338 6.311 -2.130 1.00 0.00 C ATOM 2296 C LEU A 139 19.869 7.046 -3.385 1.00 0.00 C ATOM 2297 O LEU A 139 19.781 8.274 -3.392 1.00 0.00 O ATOM 2298 CB LEU A 139 21.866 6.280 -2.070 1.00 0.00 C ATOM 2299 CG LEU A 139 22.438 5.734 -0.763 1.00 0.00 C ATOM 2300 CD1 LEU A 139 23.954 5.670 -0.813 1.00 0.00 C ATOM 2301 CD2 LEU A 139 21.969 6.582 0.403 1.00 0.00 C ATOM 0 H LEU A 139 20.492 4.235 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 139 19.950 6.860 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.237 5.673 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.244 7.291 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 139 22.072 4.717 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.333 5.278 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.264 5.016 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.355 6.670 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.382 6.185 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.307 7.609 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 139 20.880 6.562 0.453 1.00 0.00 H new ATOM 2313 N LYS A 140 19.579 6.299 -4.445 1.00 0.00 N ATOM 2314 CA LYS A 140 19.098 6.892 -5.688 1.00 0.00 C ATOM 2315 C LYS A 140 17.650 7.340 -5.573 1.00 0.00 C ATOM 2316 O LYS A 140 17.190 8.162 -6.361 1.00 0.00 O ATOM 2317 CB LYS A 140 19.212 5.911 -6.838 1.00 0.00 C ATOM 2318 CG LYS A 140 20.072 6.419 -7.974 1.00 0.00 C ATOM 2319 CD LYS A 140 20.347 5.325 -8.982 1.00 0.00 C ATOM 2320 CE LYS A 140 21.337 4.319 -8.448 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.698 4.899 -8.293 1.00 0.00 N ATOM 0 H LYS A 140 19.668 5.283 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 140 19.726 7.762 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.628 4.974 -6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.215 5.689 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.573 7.254 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 140 21.014 6.799 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.415 4.820 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.733 5.765 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 140 20.990 3.947 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.383 3.464 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.400 4.133 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.905 5.521 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.742 5.450 -7.412 1.00 0.00 H new ATOM 2335 N ALA A 141 16.938 6.753 -4.620 1.00 0.00 N ATOM 2336 CA ALA A 141 15.533 7.072 -4.372 1.00 0.00 C ATOM 2337 C ALA A 141 15.263 8.577 -4.367 1.00 0.00 C ATOM 2338 O ALA A 141 15.647 9.255 -3.389 1.00 0.00 O ATOM 2339 CB ALA A 141 15.094 6.459 -3.059 1.00 0.00 C ATOM 2340 OXT ALA A 141 14.659 9.077 -5.340 1.00 0.00 O ATOM 0 H ALA A 141 17.316 6.041 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 141 14.954 6.649 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.046 6.699 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.216 5.377 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.703 6.859 -2.249 1.00 0.00 H new ATOM 2385 N ALA B 215 -18.049 3.544 8.243 1.00 0.00 N ATOM 2386 CA ALA B 215 -19.005 2.593 7.709 1.00 0.00 C ATOM 2387 C ALA B 215 -18.684 1.188 8.215 1.00 0.00 C ATOM 2388 O ALA B 215 -17.589 0.961 8.740 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.970 2.640 6.185 1.00 0.00 C ATOM 0 HA ALA B 215 -20.008 2.855 8.046 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.688 1.926 5.782 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -19.227 3.643 5.846 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.969 2.385 5.836 1.00 0.00 H new ATOM 2395 N PRO B 216 -19.626 0.235 8.080 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.408 -1.151 8.502 1.00 0.00 C ATOM 2397 C PRO B 216 -18.146 -1.757 7.893 1.00 0.00 C ATOM 2398 O PRO B 216 -17.570 -1.214 6.945 1.00 0.00 O ATOM 2399 CB PRO B 216 -20.642 -1.902 7.996 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.675 -0.870 7.700 1.00 0.00 C ATOM 2401 CD PRO B 216 -20.973 0.449 7.528 1.00 0.00 C ATOM 0 HA PRO B 216 -19.272 -1.213 9.582 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -20.405 -2.480 7.103 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.002 -2.607 8.746 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -22.226 -1.130 6.796 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.401 -0.813 8.511 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -20.928 0.739 6.478 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.495 1.246 8.057 1.00 0.00 H new ATOM 2409 N ARG B 217 -17.713 -2.883 8.434 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.512 -3.532 7.943 1.00 0.00 C ATOM 2411 C ARG B 217 -16.615 -5.048 8.017 1.00 0.00 C ATOM 2412 O ARG B 217 -17.304 -5.602 8.877 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.282 -3.038 8.711 1.00 0.00 C ATOM 2414 CG ARG B 217 -15.443 -3.037 10.224 1.00 0.00 C ATOM 2415 CD ARG B 217 -14.174 -2.556 10.905 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.681 -1.312 10.316 1.00 0.00 N ATOM 2417 CZ ARG B 217 -12.393 -0.988 10.232 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -11.473 -1.757 10.791 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -12.029 0.121 9.603 1.00 0.00 N ATOM 0 H ARG B 217 -18.172 -3.363 9.208 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.402 -3.264 6.892 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -14.430 -3.665 8.449 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -15.046 -2.026 8.382 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -16.277 -2.393 10.504 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -15.686 -4.042 10.568 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -14.366 -2.404 11.967 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -13.405 -3.325 10.827 1.00 0.00 H new ATOM 0 HE ARG B 217 -14.366 -0.652 9.947 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -11.750 -2.603 11.289 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -10.487 -1.504 10.724 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -12.736 0.725 9.184 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -11.042 0.370 9.538 1.00 0.00 H new