USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 99 LYS NZ :NH3+ -161:sc= 0.497 (180deg=-0.184) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -17:sc= 0.416 USER MOD Single : A 14 GLN : amide:sc= -14.6! C(o=-15!,f=-14!) USER MOD Single : A 19 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.34) USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= 1.12 (180deg=0.13) USER MOD Single : A 23 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0084) USER MOD Single : A 26 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0032) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.165 X(o=0.17,f=-0.11) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.511 F(o=-2.1!,f=-0.51) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0.863 (180deg=0.849) USER MOD Single : A 78 MET CE :methyl 164:sc= -5.2! (180deg=-6.96!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0495 F(o=-1.5!,f=-0.049) USER MOD Single : A 81 ASN : amide:sc= -5.49! C(o=-5.5!,f=-8.1!) USER MOD Single : A 85 MET CE :methyl -141:sc= -4.37! (180deg=-9.99!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 90 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-5.3!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 173:sc=-0.000827 (180deg=-0.0639) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 110 THR OG1 : rot 72:sc= 0.886 USER MOD Single : A 112 GLN : amide:sc= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.973 5.175 3.265 1.00 1.00 N ATOM 140 CA THR A 10 -16.097 3.943 3.990 1.00 1.07 C ATOM 141 C THR A 10 -15.316 2.819 3.332 1.00 0.92 C ATOM 142 O THR A 10 -15.833 2.020 2.551 1.00 0.99 O ATOM 143 CB THR A 10 -17.570 3.574 4.152 1.00 1.30 C ATOM 144 OG1 THR A 10 -18.284 3.856 2.939 1.00 2.09 O ATOM 145 CG2 THR A 10 -18.186 4.344 5.306 1.00 1.90 C ATOM 0 HA THR A 10 -15.664 4.089 4.980 1.00 1.07 H new ATOM 0 HB THR A 10 -17.639 2.508 4.367 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.755 4.464 2.382 1.00 2.09 H new ATOM 0 HG21 THR A 10 -19.236 4.069 5.408 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.657 4.103 6.228 1.00 1.90 H new ATOM 0 HG23 THR A 10 -18.108 5.414 5.112 1.00 1.90 H new ATOM 153 N ALA A 11 -14.043 2.820 3.646 1.00 0.83 N ATOM 154 CA ALA A 11 -13.126 1.790 3.228 1.00 0.74 C ATOM 155 C ALA A 11 -12.654 0.989 4.434 1.00 0.77 C ATOM 156 O ALA A 11 -13.030 1.280 5.571 1.00 0.96 O ATOM 157 CB ALA A 11 -11.954 2.420 2.491 1.00 0.70 C ATOM 0 H ALA A 11 -13.608 3.551 4.210 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.631 1.104 2.548 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.261 1.640 2.175 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -12.320 2.956 1.615 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -11.439 3.116 3.153 1.00 0.70 H new ATOM 163 N VAL A 12 -11.829 -0.003 4.182 1.00 0.65 N ATOM 164 CA VAL A 12 -11.386 -0.922 5.217 1.00 0.72 C ATOM 165 C VAL A 12 -9.868 -0.879 5.347 1.00 0.54 C ATOM 166 O VAL A 12 -9.144 -1.213 4.410 1.00 0.54 O ATOM 167 CB VAL A 12 -11.829 -2.371 4.912 1.00 0.89 C ATOM 168 CG1 VAL A 12 -11.345 -3.325 5.997 1.00 1.57 C ATOM 169 CG2 VAL A 12 -13.344 -2.448 4.764 1.00 1.38 C ATOM 0 H VAL A 12 -11.445 -0.198 3.258 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.846 -0.607 6.154 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.376 -2.674 3.968 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -11.669 -4.339 5.761 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -10.257 -3.294 6.049 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.763 -3.025 6.958 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -13.637 -3.476 4.550 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -13.817 -2.122 5.690 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.663 -1.802 3.946 1.00 1.38 H new ATOM 179 N VAL A 13 -9.386 -0.466 6.505 1.00 0.52 N ATOM 180 CA VAL A 13 -7.954 -0.395 6.734 1.00 0.44 C ATOM 181 C VAL A 13 -7.399 -1.788 6.982 1.00 0.41 C ATOM 182 O VAL A 13 -7.764 -2.452 7.954 1.00 0.50 O ATOM 183 CB VAL A 13 -7.610 0.505 7.929 1.00 0.61 C ATOM 184 CG1 VAL A 13 -6.106 0.719 8.033 1.00 0.90 C ATOM 185 CG2 VAL A 13 -8.339 1.833 7.821 1.00 1.02 C ATOM 0 H VAL A 13 -9.960 -0.176 7.297 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.502 0.037 5.841 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.941 0.005 8.840 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.888 1.360 8.887 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.610 -0.243 8.165 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.742 1.193 7.121 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -8.084 2.459 8.676 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -8.042 2.337 6.901 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -9.415 1.658 7.808 1.00 1.02 H new ATOM 195 N GLN A 14 -6.545 -2.231 6.083 1.00 0.37 N ATOM 196 CA GLN A 14 -5.940 -3.555 6.186 1.00 0.40 C ATOM 197 C GLN A 14 -4.486 -3.448 6.627 1.00 0.32 C ATOM 198 O GLN A 14 -3.947 -2.342 6.748 1.00 0.41 O ATOM 199 CB GLN A 14 -6.058 -4.304 4.851 1.00 0.51 C ATOM 200 CG GLN A 14 -5.338 -3.651 3.695 1.00 0.53 C ATOM 201 CD GLN A 14 -3.829 -3.833 3.771 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.106 -3.026 4.343 1.00 1.39 O ATOM 203 NE2 GLN A 14 -3.334 -4.866 3.166 1.00 0.55 N ATOM 0 H GLN A 14 -6.249 -1.695 5.267 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.479 -4.125 6.943 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -5.668 -5.313 4.981 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.113 -4.400 4.596 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -5.705 -4.071 2.759 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.572 -2.587 3.680 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -3.953 -5.526 2.695 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -2.326 -5.019 3.160 1.00 0.55 H new ATOM 212 N ARG A 15 -3.862 -4.583 6.911 1.00 0.32 N ATOM 213 CA ARG A 15 -2.451 -4.616 7.180 1.00 0.39 C ATOM 214 C ARG A 15 -1.751 -5.667 6.307 1.00 0.33 C ATOM 215 O ARG A 15 -2.171 -6.819 6.274 1.00 0.55 O ATOM 216 CB ARG A 15 -2.242 -4.922 8.659 1.00 0.70 C ATOM 217 CG ARG A 15 -1.254 -4.012 9.335 1.00 0.75 C ATOM 218 CD ARG A 15 0.154 -4.268 8.843 1.00 1.44 C ATOM 219 NE ARG A 15 1.109 -4.258 9.952 1.00 2.26 N ATOM 220 CZ ARG A 15 2.263 -4.919 9.954 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.686 -5.537 8.864 1.00 2.98 N ATOM 222 NH2 ARG A 15 3.010 -4.961 11.046 1.00 3.63 N ATOM 0 H ARG A 15 -4.323 -5.492 6.959 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.014 -3.647 6.939 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.200 -4.849 9.174 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.902 -5.952 8.762 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.524 -2.973 9.146 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.298 -4.161 10.414 1.00 0.75 H new ATOM 0 HD2 ARG A 15 0.195 -5.230 8.332 1.00 1.44 H new ATOM 0 HD3 ARG A 15 0.431 -3.508 8.113 1.00 1.44 H new ATOM 0 HE ARG A 15 0.874 -3.708 10.778 1.00 2.26 H new ATOM 0 HH11 ARG A 15 2.126 -5.509 8.012 1.00 2.98 H new ATOM 0 HH12 ARG A 15 3.572 -6.041 8.875 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.702 -4.484 11.893 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.894 -5.470 11.040 1.00 3.63 H new ATOM 236 N VAL A 16 -0.691 -5.267 5.611 1.00 0.25 N ATOM 237 CA VAL A 16 0.136 -6.199 4.854 1.00 0.30 C ATOM 238 C VAL A 16 1.424 -6.503 5.619 1.00 0.26 C ATOM 239 O VAL A 16 2.076 -5.593 6.136 1.00 0.40 O ATOM 240 CB VAL A 16 0.509 -5.638 3.453 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.666 -6.397 2.835 1.00 1.02 C ATOM 242 CG2 VAL A 16 -0.667 -5.707 2.511 1.00 0.64 C ATOM 0 H VAL A 16 -0.384 -4.296 5.556 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.449 -7.109 4.719 1.00 0.30 H new ATOM 0 HB VAL A 16 0.802 -4.599 3.603 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.897 -5.975 1.857 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.541 -6.316 3.481 1.00 1.02 H new ATOM 0 HG13 VAL A 16 1.394 -7.447 2.723 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -0.378 -5.308 1.539 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -0.983 -6.744 2.399 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -1.491 -5.119 2.914 1.00 0.64 H new ATOM 252 N GLU A 17 1.770 -7.777 5.724 1.00 0.22 N ATOM 253 CA GLU A 17 3.065 -8.168 6.268 1.00 0.25 C ATOM 254 C GLU A 17 3.587 -9.403 5.554 1.00 0.24 C ATOM 255 O GLU A 17 2.977 -10.469 5.628 1.00 0.28 O ATOM 256 CB GLU A 17 2.972 -8.423 7.774 1.00 0.33 C ATOM 257 CG GLU A 17 4.302 -8.792 8.412 1.00 0.44 C ATOM 258 CD GLU A 17 4.383 -8.360 9.859 1.00 0.75 C ATOM 259 OE1 GLU A 17 4.698 -7.177 10.112 1.00 1.31 O ATOM 260 OE2 GLU A 17 4.121 -9.194 10.750 1.00 1.35 O ATOM 0 H GLU A 17 1.176 -8.556 5.441 1.00 0.22 H new ATOM 0 HA GLU A 17 3.763 -7.347 6.105 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.580 -7.531 8.262 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.257 -9.225 7.955 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.446 -9.871 8.348 1.00 0.44 H new ATOM 0 HG3 GLU A 17 5.113 -8.328 7.851 1.00 0.44 H new ATOM 267 N ILE A 18 4.700 -9.262 4.845 1.00 0.24 N ATOM 268 CA ILE A 18 5.278 -10.385 4.152 1.00 0.24 C ATOM 269 C ILE A 18 6.787 -10.247 4.184 1.00 0.27 C ATOM 270 O ILE A 18 7.303 -9.144 4.356 1.00 0.33 O ATOM 271 CB ILE A 18 4.764 -10.463 2.697 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.970 -11.867 2.136 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.435 -9.423 1.813 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.077 -12.891 2.790 1.00 0.61 C ATOM 0 H ILE A 18 5.210 -8.385 4.741 1.00 0.24 H new ATOM 0 HA ILE A 18 4.983 -11.310 4.648 1.00 0.24 H new ATOM 0 HB ILE A 18 3.696 -10.245 2.705 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.779 -11.857 1.063 1.00 0.34 H new ATOM 0 HG13 ILE A 18 6.011 -12.159 2.272 1.00 0.34 H new ATOM 0 HG21 ILE A 18 5.050 -9.506 0.797 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.225 -8.426 2.200 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.512 -9.590 1.808 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.266 -13.871 2.352 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.285 -12.925 3.859 1.00 0.61 H new ATOM 0 HD13 ILE A 18 3.034 -12.618 2.632 1.00 0.61 H new ATOM 286 N HIS A 19 7.503 -11.343 4.061 1.00 0.30 N ATOM 287 CA HIS A 19 8.945 -11.256 4.023 1.00 0.33 C ATOM 288 C HIS A 19 9.398 -10.933 2.613 1.00 0.35 C ATOM 289 O HIS A 19 9.110 -11.680 1.681 1.00 0.40 O ATOM 290 CB HIS A 19 9.600 -12.534 4.547 1.00 0.39 C ATOM 291 CG HIS A 19 9.646 -12.591 6.044 1.00 0.44 C ATOM 292 ND1 HIS A 19 10.821 -12.689 6.762 1.00 0.54 N ATOM 293 CD2 HIS A 19 8.651 -12.547 6.963 1.00 0.46 C ATOM 294 CE1 HIS A 19 10.545 -12.700 8.054 1.00 0.60 C ATOM 295 NE2 HIS A 19 9.238 -12.615 8.199 1.00 0.56 N ATOM 0 H HIS A 19 7.120 -12.286 3.987 1.00 0.30 H new ATOM 0 HA HIS A 19 9.264 -10.451 4.685 1.00 0.33 H new ATOM 0 HB2 HIS A 19 9.052 -13.398 4.172 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.614 -12.605 4.154 1.00 0.39 H new ATOM 0 HD2 HIS A 19 7.593 -12.472 6.759 1.00 0.46 H new ATOM 0 HE1 HIS A 19 11.267 -12.767 8.854 1.00 0.60 H new ATOM 0 HE2 HIS A 19 8.742 -12.602 9.090 1.00 0.56 H new ATOM 304 N LYS A 20 10.024 -9.759 2.488 1.00 0.34 N ATOM 305 CA LYS A 20 10.609 -9.258 1.231 1.00 0.36 C ATOM 306 C LYS A 20 11.068 -10.395 0.303 1.00 0.36 C ATOM 307 O LYS A 20 11.646 -11.395 0.749 1.00 0.42 O ATOM 308 CB LYS A 20 11.790 -8.318 1.539 1.00 0.40 C ATOM 309 CG LYS A 20 13.132 -9.011 1.754 1.00 1.42 C ATOM 310 CD LYS A 20 13.179 -9.818 3.042 1.00 2.33 C ATOM 311 CE LYS A 20 14.553 -10.430 3.254 1.00 3.13 C ATOM 312 NZ LYS A 20 15.616 -9.388 3.249 1.00 4.00 N ATOM 0 H LYS A 20 10.143 -9.115 3.270 1.00 0.34 H new ATOM 0 HA LYS A 20 9.827 -8.709 0.706 1.00 0.36 H new ATOM 0 HB2 LYS A 20 11.893 -7.609 0.718 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.550 -7.740 2.431 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.335 -9.670 0.910 1.00 1.42 H new ATOM 0 HG3 LYS A 20 13.924 -8.262 1.771 1.00 1.42 H new ATOM 0 HD2 LYS A 20 12.929 -9.176 3.887 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.427 -10.607 3.008 1.00 2.33 H new ATOM 0 HE2 LYS A 20 14.572 -10.967 4.202 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.753 -11.160 2.470 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 16.345 -9.632 3.949 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 16.047 -9.337 2.304 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.200 -8.466 3.490 1.00 4.00 H new ATOM 326 N LEU A 21 10.848 -10.227 -0.993 1.00 0.33 N ATOM 327 CA LEU A 21 11.121 -11.303 -1.933 1.00 0.37 C ATOM 328 C LEU A 21 12.488 -11.112 -2.568 1.00 0.41 C ATOM 329 O LEU A 21 12.670 -10.271 -3.444 1.00 0.45 O ATOM 330 CB LEU A 21 10.041 -11.376 -3.013 1.00 0.38 C ATOM 331 CG LEU A 21 10.153 -12.576 -3.963 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.040 -13.884 -3.187 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.084 -12.501 -5.044 1.00 0.48 C ATOM 0 H LEU A 21 10.487 -9.370 -1.412 1.00 0.33 H new ATOM 0 HA LEU A 21 11.114 -12.244 -1.383 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.065 -11.406 -2.528 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.076 -10.460 -3.603 1.00 0.38 H new ATOM 0 HG LEU A 21 11.131 -12.546 -4.444 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.122 -14.724 -3.876 1.00 0.55 H new ATOM 0 HD12 LEU A 21 10.841 -13.940 -2.450 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.076 -13.924 -2.679 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.178 -13.360 -5.709 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.097 -12.507 -4.581 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.210 -11.583 -5.617 1.00 0.48 H new ATOM 345 N ARG A 22 13.448 -11.884 -2.096 1.00 0.51 N ATOM 346 CA ARG A 22 14.826 -11.752 -2.546 1.00 0.61 C ATOM 347 C ARG A 22 15.007 -12.248 -3.981 1.00 0.60 C ATOM 348 O ARG A 22 14.394 -13.234 -4.392 1.00 0.66 O ATOM 349 CB ARG A 22 15.767 -12.529 -1.621 1.00 0.88 C ATOM 350 CG ARG A 22 15.551 -14.033 -1.668 1.00 1.19 C ATOM 351 CD ARG A 22 16.666 -14.783 -0.968 1.00 1.94 C ATOM 352 NE ARG A 22 16.608 -14.645 0.485 1.00 2.47 N ATOM 353 CZ ARG A 22 17.678 -14.658 1.274 1.00 3.28 C ATOM 354 NH1 ARG A 22 18.897 -14.702 0.748 1.00 3.78 N ATOM 355 NH2 ARG A 22 17.529 -14.609 2.589 1.00 3.97 N ATOM 0 H ARG A 22 13.301 -12.613 -1.398 1.00 0.51 H new ATOM 0 HA ARG A 22 15.072 -10.691 -2.517 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.799 -12.308 -1.895 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.628 -12.181 -0.597 1.00 0.88 H new ATOM 0 HG2 ARG A 22 14.598 -14.278 -1.200 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.489 -14.359 -2.706 1.00 1.19 H new ATOM 0 HD2 ARG A 22 16.610 -15.839 -1.232 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.627 -14.415 -1.326 1.00 1.94 H new ATOM 0 HE ARG A 22 15.692 -14.532 0.920 1.00 2.47 H new ATOM 0 HH11 ARG A 22 19.015 -14.726 -0.265 1.00 3.78 H new ATOM 0 HH12 ARG A 22 19.715 -14.712 1.357 1.00 3.78 H new ATOM 0 HH21 ARG A 22 16.594 -14.561 2.995 1.00 3.97 H new ATOM 0 HH22 ARG A 22 18.349 -14.619 3.196 1.00 3.97 H new ATOM 369 N GLN A 23 15.834 -11.531 -4.738 1.00 0.68 N ATOM 370 CA GLN A 23 16.287 -11.976 -6.058 1.00 0.81 C ATOM 371 C GLN A 23 17.785 -11.790 -6.136 1.00 0.93 C ATOM 372 O GLN A 23 18.248 -10.715 -6.524 1.00 1.02 O ATOM 373 CB GLN A 23 15.664 -11.137 -7.173 1.00 0.90 C ATOM 374 CG GLN A 23 14.196 -10.867 -6.988 1.00 1.04 C ATOM 375 CD GLN A 23 13.308 -11.952 -7.568 1.00 0.92 C ATOM 376 OE1 GLN A 23 12.908 -11.886 -8.732 1.00 1.35 O ATOM 377 NE2 GLN A 23 12.995 -12.961 -6.771 1.00 0.69 N ATOM 0 H GLN A 23 16.210 -10.626 -4.456 1.00 0.68 H new ATOM 0 HA GLN A 23 15.994 -13.018 -6.186 1.00 0.81 H new ATOM 0 HB2 GLN A 23 16.193 -10.186 -7.237 1.00 0.90 H new ATOM 0 HB3 GLN A 23 15.812 -11.648 -8.124 1.00 0.90 H new ATOM 0 HG2 GLN A 23 13.984 -10.764 -5.924 1.00 1.04 H new ATOM 0 HG3 GLN A 23 13.947 -9.915 -7.456 1.00 1.04 H new ATOM 0 HE21 GLN A 23 13.345 -12.982 -5.813 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.404 -13.718 -7.115 1.00 0.69 H new ATOM 386 N GLY A 24 18.536 -12.821 -5.790 1.00 1.03 N ATOM 387 CA GLY A 24 19.977 -12.697 -5.692 1.00 1.19 C ATOM 388 C GLY A 24 20.398 -11.733 -4.597 1.00 1.23 C ATOM 389 O GLY A 24 20.947 -12.140 -3.573 1.00 1.33 O ATOM 0 H GLY A 24 18.172 -13.749 -5.573 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.412 -13.677 -5.497 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.376 -12.356 -6.647 1.00 1.19 H new ATOM 393 N GLU A 25 20.110 -10.456 -4.813 1.00 1.27 N ATOM 394 CA GLU A 25 20.507 -9.392 -3.899 1.00 1.43 C ATOM 395 C GLU A 25 19.463 -8.294 -3.904 1.00 1.40 C ATOM 396 O GLU A 25 19.681 -7.196 -3.385 1.00 1.61 O ATOM 397 CB GLU A 25 21.859 -8.805 -4.303 1.00 1.67 C ATOM 398 CG GLU A 25 22.994 -9.804 -4.256 1.00 1.84 C ATOM 399 CD GLU A 25 24.289 -9.220 -4.767 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.537 -9.295 -5.988 1.00 2.21 O ATOM 401 OE2 GLU A 25 25.065 -8.679 -3.953 1.00 2.33 O ATOM 0 H GLU A 25 19.593 -10.128 -5.629 1.00 1.27 H new ATOM 0 HA GLU A 25 20.593 -9.816 -2.898 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.783 -8.402 -5.313 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.094 -7.970 -3.643 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.132 -10.147 -3.231 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.731 -10.678 -4.852 1.00 1.84 H new ATOM 408 N ASN A 26 18.323 -8.603 -4.493 1.00 1.21 N ATOM 409 CA ASN A 26 17.274 -7.617 -4.681 1.00 1.23 C ATOM 410 C ASN A 26 16.070 -7.951 -3.822 1.00 1.05 C ATOM 411 O ASN A 26 15.929 -9.078 -3.347 1.00 1.06 O ATOM 412 CB ASN A 26 16.868 -7.544 -6.157 1.00 1.31 C ATOM 413 CG ASN A 26 18.033 -7.168 -7.049 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.281 -5.989 -7.302 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.749 -8.171 -7.538 1.00 1.33 N ATOM 0 H ASN A 26 18.099 -9.532 -4.851 1.00 1.21 H new ATOM 0 HA ASN A 26 17.658 -6.644 -4.376 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.468 -8.508 -6.471 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.069 -6.813 -6.277 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.542 -7.980 -8.151 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.507 -9.133 -7.301 1.00 1.33 H new ATOM 422 N LEU A 27 15.220 -6.962 -3.615 1.00 0.95 N ATOM 423 CA LEU A 27 14.008 -7.126 -2.840 1.00 0.82 C ATOM 424 C LEU A 27 12.827 -6.762 -3.704 1.00 0.71 C ATOM 425 O LEU A 27 12.665 -5.607 -4.100 1.00 0.81 O ATOM 426 CB LEU A 27 14.020 -6.242 -1.594 1.00 0.93 C ATOM 427 CG LEU A 27 14.703 -6.830 -0.357 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.194 -7.036 -0.582 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.472 -5.926 0.844 1.00 1.62 C ATOM 0 H LEU A 27 15.353 -6.020 -3.982 1.00 0.95 H new ATOM 0 HA LEU A 27 13.939 -8.164 -2.514 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.514 -5.303 -1.844 1.00 0.93 H new ATOM 0 HB3 LEU A 27 12.989 -6.001 -1.335 1.00 0.93 H new ATOM 0 HG LEU A 27 14.261 -7.807 -0.164 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.643 -7.455 0.318 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.345 -7.722 -1.416 1.00 2.28 H new ATOM 0 HD13 LEU A 27 16.663 -6.079 -0.810 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.962 -6.352 1.720 1.00 1.62 H new ATOM 0 HD22 LEU A 27 14.887 -4.939 0.641 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.402 -5.838 1.033 1.00 1.62 H new ATOM 441 N ILE A 28 12.018 -7.742 -4.016 1.00 0.57 N ATOM 442 CA ILE A 28 10.874 -7.514 -4.851 1.00 0.52 C ATOM 443 C ILE A 28 9.630 -7.341 -3.993 1.00 0.44 C ATOM 444 O ILE A 28 9.399 -8.092 -3.035 1.00 0.43 O ATOM 445 CB ILE A 28 10.714 -8.648 -5.898 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.349 -8.222 -7.229 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.255 -9.027 -6.108 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.755 -7.667 -7.102 1.00 0.80 C ATOM 0 H ILE A 28 12.133 -8.706 -3.702 1.00 0.57 H new ATOM 0 HA ILE A 28 11.021 -6.591 -5.412 1.00 0.52 H new ATOM 0 HB ILE A 28 11.227 -9.530 -5.514 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.370 -9.081 -7.899 1.00 0.75 H new ATOM 0 HG13 ILE A 28 10.715 -7.469 -7.696 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.189 -9.824 -6.849 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.829 -9.371 -5.166 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.700 -8.157 -6.461 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.128 -7.391 -8.088 1.00 0.80 H new ATOM 0 HD12 ILE A 28 12.742 -6.786 -6.460 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.407 -8.424 -6.667 1.00 0.80 H new ATOM 460 N LEU A 29 8.868 -6.312 -4.327 1.00 0.51 N ATOM 461 CA LEU A 29 7.721 -5.899 -3.539 1.00 0.55 C ATOM 462 C LEU A 29 6.555 -6.833 -3.799 1.00 0.73 C ATOM 463 O LEU A 29 5.829 -7.222 -2.886 1.00 1.74 O ATOM 464 CB LEU A 29 7.307 -4.472 -3.920 1.00 0.71 C ATOM 465 CG LEU A 29 8.408 -3.589 -4.518 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.843 -2.243 -4.934 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.547 -3.394 -3.535 1.00 1.33 C ATOM 0 H LEU A 29 9.029 -5.739 -5.155 1.00 0.51 H new ATOM 0 HA LEU A 29 7.993 -5.932 -2.484 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.488 -4.532 -4.637 1.00 0.71 H new ATOM 0 HB3 LEU A 29 6.917 -3.979 -3.030 1.00 0.71 H new ATOM 0 HG LEU A 29 8.800 -4.096 -5.400 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.639 -1.629 -5.356 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.063 -2.391 -5.681 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.421 -1.741 -4.064 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.313 -2.764 -3.986 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.170 -2.916 -2.631 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.978 -4.362 -3.280 1.00 1.33 H new ATOM 479 N GLY A 30 6.388 -7.188 -5.065 1.00 0.40 N ATOM 480 CA GLY A 30 5.257 -7.992 -5.466 1.00 0.32 C ATOM 481 C GLY A 30 4.119 -7.126 -5.941 1.00 0.35 C ATOM 482 O GLY A 30 3.012 -7.600 -6.149 1.00 0.69 O ATOM 0 H GLY A 30 7.020 -6.931 -5.823 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.556 -8.675 -6.262 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.927 -8.605 -4.627 1.00 0.32 H new ATOM 486 N PHE A 31 4.406 -5.842 -6.097 1.00 0.29 N ATOM 487 CA PHE A 31 3.430 -4.872 -6.554 1.00 0.28 C ATOM 488 C PHE A 31 4.129 -3.677 -7.185 1.00 0.31 C ATOM 489 O PHE A 31 5.356 -3.613 -7.216 1.00 0.42 O ATOM 490 CB PHE A 31 2.558 -4.405 -5.383 1.00 0.28 C ATOM 491 CG PHE A 31 3.327 -3.882 -4.193 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.808 -2.586 -4.189 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.580 -4.685 -3.091 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.525 -2.095 -3.118 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.296 -4.202 -2.014 1.00 0.42 C ATOM 496 CZ PHE A 31 4.714 -2.936 -1.979 1.00 0.51 C ATOM 0 H PHE A 31 5.327 -5.445 -5.909 1.00 0.29 H new ATOM 0 HA PHE A 31 2.795 -5.346 -7.302 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.887 -3.623 -5.737 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.934 -5.237 -5.058 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.619 -1.947 -5.039 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.212 -5.700 -3.075 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.935 -1.096 -3.140 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.521 -4.859 -1.187 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.194 -2.548 -1.093 1.00 0.51 H new ATOM 506 N SER A 32 3.345 -2.736 -7.692 1.00 0.25 N ATOM 507 CA SER A 32 3.887 -1.458 -8.105 1.00 0.23 C ATOM 508 C SER A 32 3.306 -0.398 -7.194 1.00 0.23 C ATOM 509 O SER A 32 2.293 -0.644 -6.552 1.00 0.29 O ATOM 510 CB SER A 32 3.568 -1.162 -9.568 1.00 0.25 C ATOM 511 OG SER A 32 4.280 -0.028 -10.035 1.00 0.53 O ATOM 0 H SER A 32 2.339 -2.836 -7.825 1.00 0.25 H new ATOM 0 HA SER A 32 4.974 -1.471 -8.025 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.820 -2.029 -10.179 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.497 -0.993 -9.681 1.00 0.25 H new ATOM 0 HG SER A 32 4.056 0.135 -10.975 1.00 0.53 H new ATOM 517 N ILE A 33 3.925 0.762 -7.129 1.00 0.23 N ATOM 518 CA ILE A 33 3.594 1.720 -6.084 1.00 0.25 C ATOM 519 C ILE A 33 4.056 3.132 -6.417 1.00 0.25 C ATOM 520 O ILE A 33 5.172 3.333 -6.897 1.00 0.32 O ATOM 521 CB ILE A 33 4.275 1.284 -4.766 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.321 2.428 -3.735 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.669 0.789 -5.082 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.375 2.248 -2.652 1.00 0.37 C ATOM 0 H ILE A 33 4.652 1.066 -7.777 1.00 0.23 H new ATOM 0 HA ILE A 33 2.508 1.734 -5.990 1.00 0.25 H new ATOM 0 HB ILE A 33 3.688 0.483 -4.316 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.509 3.366 -4.257 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.342 2.517 -3.263 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.162 0.478 -4.161 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.608 -0.058 -5.765 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.243 1.590 -5.548 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.342 3.096 -1.967 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.177 1.328 -2.101 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.362 2.191 -3.111 1.00 0.37 H new ATOM 536 N GLY A 34 3.194 4.098 -6.168 1.00 0.26 N ATOM 537 CA GLY A 34 3.654 5.446 -5.963 1.00 0.43 C ATOM 538 C GLY A 34 2.819 6.135 -4.918 1.00 0.30 C ATOM 539 O GLY A 34 1.608 6.243 -5.030 1.00 0.72 O ATOM 0 H GLY A 34 2.184 3.972 -6.104 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.699 5.437 -5.654 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.604 6.000 -6.900 1.00 0.43 H new ATOM 543 N GLY A 35 3.465 6.527 -3.858 1.00 0.77 N ATOM 544 CA GLY A 35 2.817 7.339 -2.861 1.00 0.93 C ATOM 545 C GLY A 35 3.729 8.410 -2.363 1.00 0.73 C ATOM 546 O GLY A 35 4.762 8.093 -1.812 1.00 1.42 O ATOM 0 H GLY A 35 4.439 6.299 -3.659 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.918 7.790 -3.283 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.499 6.712 -2.028 1.00 0.93 H new ATOM 550 N GLY A 36 3.411 9.653 -2.570 1.00 0.40 N ATOM 551 CA GLY A 36 4.273 10.672 -2.034 1.00 0.39 C ATOM 552 C GLY A 36 3.649 12.043 -2.079 1.00 0.35 C ATOM 553 O GLY A 36 2.985 12.384 -3.061 1.00 0.48 O ATOM 0 H GLY A 36 2.594 9.982 -3.085 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.523 10.425 -1.002 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.208 10.684 -2.595 1.00 0.39 H new ATOM 557 N ILE A 37 3.853 12.833 -1.036 1.00 0.37 N ATOM 558 CA ILE A 37 3.868 14.278 -1.208 1.00 0.41 C ATOM 559 C ILE A 37 4.957 14.605 -2.218 1.00 0.38 C ATOM 560 O ILE A 37 4.957 15.648 -2.869 1.00 0.46 O ATOM 561 CB ILE A 37 4.172 15.004 0.109 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.371 14.340 0.791 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.949 15.006 1.009 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.800 15.014 2.076 1.00 0.49 C ATOM 0 H ILE A 37 4.007 12.508 -0.082 1.00 0.37 H new ATOM 0 HA ILE A 37 2.886 14.609 -1.547 1.00 0.41 H new ATOM 0 HB ILE A 37 4.425 16.044 -0.097 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.125 13.300 1.003 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.212 14.333 0.098 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.182 15.525 1.939 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.127 15.515 0.505 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.658 13.979 1.230 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.654 14.484 2.497 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.080 16.047 1.869 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.975 14.997 2.789 1.00 0.49 H new ATOM 576 N ASP A 38 5.884 13.658 -2.314 1.00 0.35 N ATOM 577 CA ASP A 38 6.945 13.659 -3.299 1.00 0.40 C ATOM 578 C ASP A 38 6.386 13.695 -4.723 1.00 0.56 C ATOM 579 O ASP A 38 6.871 14.436 -5.575 1.00 0.69 O ATOM 580 CB ASP A 38 7.766 12.380 -3.142 1.00 0.39 C ATOM 581 CG ASP A 38 8.775 12.166 -4.245 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.881 12.730 -4.159 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.464 11.406 -5.178 1.00 0.72 O ATOM 0 H ASP A 38 5.914 12.851 -1.691 1.00 0.35 H new ATOM 0 HA ASP A 38 7.557 14.547 -3.138 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.288 12.409 -2.185 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.089 11.526 -3.110 1.00 0.39 H new ATOM 588 N GLN A 39 5.347 12.879 -4.954 1.00 0.63 N ATOM 589 CA GLN A 39 4.856 12.596 -6.306 1.00 0.85 C ATOM 590 C GLN A 39 4.315 13.843 -7.009 1.00 0.93 C ATOM 591 O GLN A 39 5.008 14.450 -7.826 1.00 1.19 O ATOM 592 CB GLN A 39 3.788 11.491 -6.265 1.00 0.98 C ATOM 593 CG GLN A 39 4.317 10.143 -5.796 1.00 1.00 C ATOM 594 CD GLN A 39 5.341 9.547 -6.747 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.997 8.773 -7.643 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.601 9.911 -6.576 1.00 0.82 N ATOM 0 H GLN A 39 4.830 12.402 -4.216 1.00 0.63 H new ATOM 0 HA GLN A 39 5.708 12.251 -6.891 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.980 11.804 -5.604 1.00 0.98 H new ATOM 0 HB3 GLN A 39 3.359 11.376 -7.260 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.768 10.258 -4.810 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.483 9.449 -5.686 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.849 10.554 -5.824 1.00 0.82 H new ATOM 0 HE22 GLN A 39 7.325 9.549 -7.197 1.00 0.82 H new ATOM 815 N GLY A 54 -0.606 10.847 0.154 1.00 0.78 N ATOM 816 CA GLY A 54 -0.061 9.877 1.040 1.00 0.65 C ATOM 817 C GLY A 54 0.740 8.881 0.238 1.00 0.53 C ATOM 818 O GLY A 54 1.345 9.261 -0.778 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.573 10.359 1.784 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.859 9.370 1.582 1.00 0.65 H new ATOM 822 N ILE A 55 0.755 7.612 0.622 1.00 0.48 N ATOM 823 CA ILE A 55 1.406 6.634 -0.229 1.00 0.40 C ATOM 824 C ILE A 55 0.360 5.676 -0.771 1.00 0.33 C ATOM 825 O ILE A 55 -0.590 5.384 -0.075 1.00 0.43 O ATOM 826 CB ILE A 55 2.562 5.904 0.502 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.814 6.784 0.506 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.888 4.579 -0.169 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.741 8.037 1.352 1.00 0.54 C ATOM 0 H ILE A 55 0.342 7.249 1.481 1.00 0.48 H new ATOM 0 HA ILE A 55 1.876 7.146 -1.069 1.00 0.40 H new ATOM 0 HB ILE A 55 2.240 5.708 1.525 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.655 6.184 0.853 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.033 7.075 -0.521 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.702 4.091 0.366 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.007 3.937 -0.154 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.188 4.758 -1.201 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.683 8.581 1.279 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.928 8.670 0.996 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.560 7.764 2.392 1.00 0.54 H new ATOM 841 N TYR A 56 0.464 5.248 -2.034 1.00 0.25 N ATOM 842 CA TYR A 56 -0.545 4.367 -2.584 1.00 0.23 C ATOM 843 C TYR A 56 0.078 3.344 -3.494 1.00 0.18 C ATOM 844 O TYR A 56 1.044 3.615 -4.204 1.00 0.28 O ATOM 845 CB TYR A 56 -1.674 5.114 -3.326 1.00 0.36 C ATOM 846 CG TYR A 56 -1.447 6.590 -3.492 1.00 0.32 C ATOM 847 CD1 TYR A 56 -1.536 7.434 -2.403 1.00 0.67 C ATOM 848 CD2 TYR A 56 -1.132 7.130 -4.724 1.00 0.83 C ATOM 849 CE1 TYR A 56 -1.311 8.788 -2.531 1.00 0.90 C ATOM 850 CE2 TYR A 56 -0.904 8.486 -4.870 1.00 1.14 C ATOM 851 CZ TYR A 56 -0.991 9.310 -3.767 1.00 1.01 C ATOM 852 OH TYR A 56 -0.763 10.663 -3.905 1.00 1.42 O ATOM 0 H TYR A 56 1.220 5.495 -2.672 1.00 0.25 H new ATOM 0 HA TYR A 56 -1.004 3.868 -1.730 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -1.800 4.667 -4.312 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.608 4.962 -2.785 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -1.786 7.027 -1.435 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -1.063 6.483 -5.586 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -1.385 9.435 -1.670 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -0.660 8.896 -5.839 1.00 1.14 H new ATOM 0 HH TYR A 56 -0.549 10.865 -4.840 1.00 1.42 H new ATOM 862 N VAL A 57 -0.456 2.152 -3.428 1.00 0.18 N ATOM 863 CA VAL A 57 0.011 1.086 -4.263 1.00 0.17 C ATOM 864 C VAL A 57 -0.641 1.185 -5.630 1.00 0.16 C ATOM 865 O VAL A 57 -1.802 1.589 -5.742 1.00 0.22 O ATOM 866 CB VAL A 57 -0.244 -0.280 -3.604 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.635 -0.823 -3.870 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.810 -1.278 -4.018 1.00 0.58 C ATOM 0 H VAL A 57 -1.219 1.898 -2.800 1.00 0.18 H new ATOM 0 HA VAL A 57 1.089 1.178 -4.393 1.00 0.17 H new ATOM 0 HB VAL A 57 -0.179 -0.119 -2.528 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.749 -1.789 -3.377 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.378 -0.127 -3.481 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.779 -0.944 -4.944 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.610 -2.237 -3.540 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.790 -1.401 -5.101 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.792 -0.918 -3.712 1.00 0.58 H new ATOM 878 N THR A 58 0.132 0.851 -6.651 1.00 0.17 N ATOM 879 CA THR A 58 -0.273 1.021 -8.030 1.00 0.24 C ATOM 880 C THR A 58 -0.510 -0.329 -8.715 1.00 0.38 C ATOM 881 O THR A 58 -1.162 -0.403 -9.752 1.00 1.11 O ATOM 882 CB THR A 58 0.803 1.816 -8.795 1.00 0.39 C ATOM 883 OG1 THR A 58 1.103 3.022 -8.076 1.00 0.83 O ATOM 884 CG2 THR A 58 0.339 2.160 -10.204 1.00 0.69 C ATOM 0 H THR A 58 1.064 0.452 -6.541 1.00 0.17 H new ATOM 0 HA THR A 58 -1.213 1.572 -8.041 1.00 0.24 H new ATOM 0 HB THR A 58 1.697 1.197 -8.876 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.788 3.529 -8.559 1.00 0.83 H new ATOM 0 HG21 THR A 58 1.120 2.721 -10.718 1.00 0.69 H new ATOM 0 HG22 THR A 58 0.131 1.242 -10.753 1.00 0.69 H new ATOM 0 HG23 THR A 58 -0.567 2.764 -10.151 1.00 0.69 H new ATOM 892 N ARG A 59 0.007 -1.402 -8.135 1.00 0.31 N ATOM 893 CA ARG A 59 -0.252 -2.742 -8.664 1.00 0.26 C ATOM 894 C ARG A 59 -0.177 -3.802 -7.589 1.00 0.26 C ATOM 895 O ARG A 59 -0.260 -3.524 -6.394 1.00 0.27 O ATOM 896 CB ARG A 59 0.740 -3.140 -9.763 1.00 0.26 C ATOM 897 CG ARG A 59 0.507 -2.473 -11.095 1.00 0.34 C ATOM 898 CD ARG A 59 1.349 -3.119 -12.185 1.00 0.45 C ATOM 899 NE ARG A 59 1.438 -2.293 -13.386 1.00 1.06 N ATOM 900 CZ ARG A 59 1.893 -2.727 -14.558 1.00 1.50 C ATOM 901 NH1 ARG A 59 2.171 -4.017 -14.730 1.00 1.52 N ATOM 902 NH2 ARG A 59 2.038 -1.872 -15.564 1.00 2.27 N ATOM 0 H ARG A 59 0.602 -1.378 -7.307 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.260 -2.690 -9.075 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.749 -2.904 -9.425 1.00 0.26 H new ATOM 0 HB3 ARG A 59 0.695 -4.220 -9.900 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.548 -2.539 -11.359 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.751 -1.413 -11.022 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.352 -3.307 -11.802 1.00 0.45 H new ATOM 0 HD3 ARG A 59 0.921 -4.087 -12.445 1.00 0.45 H new ATOM 0 HE ARG A 59 1.132 -1.322 -13.322 1.00 1.06 H new ATOM 0 HH11 ARG A 59 2.035 -4.675 -13.962 1.00 1.52 H new ATOM 0 HH12 ARG A 59 2.520 -4.348 -15.630 1.00 1.52 H new ATOM 0 HH21 ARG A 59 1.801 -0.888 -15.435 1.00 2.27 H new ATOM 0 HH22 ARG A 59 2.387 -2.199 -16.465 1.00 2.27 H new ATOM 916 N VAL A 60 -0.120 -5.026 -8.076 1.00 0.26 N ATOM 917 CA VAL A 60 0.277 -6.192 -7.311 1.00 0.27 C ATOM 918 C VAL A 60 0.369 -7.367 -8.279 1.00 0.36 C ATOM 919 O VAL A 60 -0.447 -7.476 -9.196 1.00 0.51 O ATOM 920 CB VAL A 60 -0.666 -6.505 -6.131 1.00 0.33 C ATOM 921 CG1 VAL A 60 -2.073 -6.767 -6.621 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.131 -7.680 -5.323 1.00 0.75 C ATOM 0 H VAL A 60 -0.356 -5.243 -9.044 1.00 0.26 H new ATOM 0 HA VAL A 60 1.243 -5.994 -6.846 1.00 0.27 H new ATOM 0 HB VAL A 60 -0.704 -5.635 -5.476 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -2.720 -6.985 -5.771 1.00 0.83 H new ATOM 0 HG12 VAL A 60 -2.446 -5.886 -7.144 1.00 0.83 H new ATOM 0 HG13 VAL A 60 -2.069 -7.618 -7.302 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -0.807 -7.889 -4.494 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.059 -8.559 -5.963 1.00 0.75 H new ATOM 0 HG23 VAL A 60 0.857 -7.434 -4.933 1.00 0.75 H new ATOM 932 N SER A 61 1.376 -8.202 -8.117 1.00 0.45 N ATOM 933 CA SER A 61 1.629 -9.267 -9.064 1.00 0.56 C ATOM 934 C SER A 61 1.300 -10.617 -8.469 1.00 0.56 C ATOM 935 O SER A 61 1.630 -10.911 -7.317 1.00 0.64 O ATOM 936 CB SER A 61 3.090 -9.242 -9.501 1.00 0.72 C ATOM 937 OG SER A 61 3.507 -7.916 -9.792 1.00 1.65 O ATOM 0 H SER A 61 2.032 -8.163 -7.337 1.00 0.45 H new ATOM 0 HA SER A 61 0.986 -9.107 -9.930 1.00 0.56 H new ATOM 0 HB2 SER A 61 3.717 -9.661 -8.714 1.00 0.72 H new ATOM 0 HB3 SER A 61 3.222 -9.871 -10.381 1.00 0.72 H new ATOM 0 HG SER A 61 4.447 -7.922 -10.069 1.00 1.65 H new ATOM 943 N GLU A 62 0.654 -11.425 -9.275 1.00 0.68 N ATOM 944 CA GLU A 62 0.326 -12.781 -8.913 1.00 0.73 C ATOM 945 C GLU A 62 1.582 -13.605 -8.723 1.00 0.74 C ATOM 946 O GLU A 62 2.462 -13.651 -9.586 1.00 0.84 O ATOM 947 CB GLU A 62 -0.548 -13.377 -9.991 1.00 0.86 C ATOM 948 CG GLU A 62 -1.987 -12.913 -9.907 1.00 1.45 C ATOM 949 CD GLU A 62 -2.839 -13.432 -11.040 1.00 1.62 C ATOM 950 OE1 GLU A 62 -2.778 -12.865 -12.153 1.00 1.85 O ATOM 951 OE2 GLU A 62 -3.564 -14.425 -10.826 1.00 1.75 O ATOM 0 H GLU A 62 0.339 -11.157 -10.207 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.214 -12.783 -7.966 1.00 0.73 H new ATOM 0 HB2 GLU A 62 -0.143 -13.112 -10.968 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.517 -14.464 -9.917 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.414 -13.240 -8.959 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -2.013 -11.823 -9.909 1.00 1.45 H new ATOM 958 N GLY A 63 1.665 -14.218 -7.566 1.00 0.76 N ATOM 959 CA GLY A 63 2.819 -15.014 -7.233 1.00 0.86 C ATOM 960 C GLY A 63 3.799 -14.232 -6.391 1.00 0.80 C ATOM 961 O GLY A 63 4.669 -14.808 -5.735 1.00 0.92 O ATOM 0 H GLY A 63 0.948 -14.180 -6.842 1.00 0.76 H new ATOM 0 HA2 GLY A 63 2.504 -15.907 -6.693 1.00 0.86 H new ATOM 0 HA3 GLY A 63 3.308 -15.350 -8.147 1.00 0.86 H new ATOM 965 N GLY A 64 3.656 -12.912 -6.409 1.00 0.67 N ATOM 966 CA GLY A 64 4.456 -12.084 -5.554 1.00 0.66 C ATOM 967 C GLY A 64 3.920 -12.082 -4.151 1.00 0.63 C ATOM 968 O GLY A 64 2.791 -12.492 -3.911 1.00 0.99 O ATOM 0 H GLY A 64 2.998 -12.409 -7.004 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.485 -12.443 -5.553 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.474 -11.065 -5.942 1.00 0.66 H new ATOM 972 N PRO A 65 4.695 -11.569 -3.217 1.00 0.37 N ATOM 973 CA PRO A 65 4.412 -11.703 -1.791 1.00 0.27 C ATOM 974 C PRO A 65 3.305 -10.798 -1.298 1.00 0.23 C ATOM 975 O PRO A 65 2.690 -11.042 -0.260 1.00 0.29 O ATOM 976 CB PRO A 65 5.746 -11.345 -1.173 1.00 0.32 C ATOM 977 CG PRO A 65 6.359 -10.364 -2.113 1.00 0.43 C ATOM 978 CD PRO A 65 5.918 -10.793 -3.480 1.00 0.44 C ATOM 0 HA PRO A 65 4.044 -12.696 -1.531 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.617 -10.913 -0.181 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.376 -12.227 -1.057 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.027 -9.349 -1.894 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.446 -10.368 -2.032 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.720 -9.937 -4.125 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.678 -11.397 -3.976 1.00 0.44 H new ATOM 986 N ALA A 66 3.040 -9.783 -2.070 1.00 0.22 N ATOM 987 CA ALA A 66 2.005 -8.824 -1.747 1.00 0.24 C ATOM 988 C ALA A 66 0.611 -9.409 -1.950 1.00 0.29 C ATOM 989 O ALA A 66 -0.347 -8.997 -1.298 1.00 0.36 O ATOM 990 CB ALA A 66 2.197 -7.611 -2.612 1.00 0.27 C ATOM 0 H ALA A 66 3.532 -9.591 -2.943 1.00 0.22 H new ATOM 0 HA ALA A 66 2.085 -8.554 -0.694 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.426 -6.875 -2.384 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.179 -7.179 -2.420 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.126 -7.897 -3.661 1.00 0.27 H new ATOM 996 N GLU A 67 0.508 -10.383 -2.847 1.00 0.30 N ATOM 997 CA GLU A 67 -0.759 -11.045 -3.123 1.00 0.42 C ATOM 998 C GLU A 67 -1.098 -11.952 -1.942 1.00 0.39 C ATOM 999 O GLU A 67 -2.258 -12.167 -1.599 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.641 -11.846 -4.429 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.837 -12.733 -4.747 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.917 -12.017 -5.542 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -3.705 -11.253 -4.951 1.00 1.79 O ATOM 1004 OE2 GLU A 67 -2.987 -12.227 -6.775 1.00 1.54 O ATOM 0 H GLU A 67 1.292 -10.732 -3.398 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.560 -10.316 -3.248 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.495 -11.149 -5.254 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.252 -12.469 -4.376 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.497 -13.603 -5.309 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.265 -13.103 -3.815 1.00 0.77 H new ATOM 1011 N ILE A 68 -0.045 -12.442 -1.299 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.174 -13.321 -0.142 1.00 0.31 C ATOM 1013 C ILE A 68 -0.519 -12.506 1.099 1.00 0.28 C ATOM 1014 O ILE A 68 -1.281 -12.944 1.961 1.00 0.34 O ATOM 1015 CB ILE A 68 1.140 -14.115 0.102 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.356 -15.185 -0.979 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.142 -14.763 1.484 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.367 -14.656 -2.394 1.00 0.51 C ATOM 0 H ILE A 68 0.920 -12.242 -1.563 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.976 -14.031 -0.344 1.00 0.31 H new ATOM 0 HB ILE A 68 1.962 -13.401 0.050 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.302 -15.691 -0.787 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.570 -15.935 -0.892 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.073 -15.312 1.627 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.055 -13.991 2.248 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.300 -15.450 1.565 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.525 -15.480 -3.089 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.412 -14.177 -2.611 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.171 -13.929 -2.504 1.00 0.51 H new ATOM 1030 N ALA A 69 0.038 -11.306 1.165 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.165 -10.429 2.301 1.00 0.24 C ATOM 1032 C ALA A 69 -1.486 -9.677 2.197 1.00 0.31 C ATOM 1033 O ALA A 69 -1.944 -9.085 3.172 1.00 0.41 O ATOM 1034 CB ALA A 69 0.991 -9.457 2.423 1.00 0.24 C ATOM 0 H ALA A 69 0.638 -10.918 0.437 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.207 -11.046 3.199 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.828 -8.803 3.280 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.919 -10.011 2.561 1.00 0.24 H new ATOM 0 HB3 ALA A 69 1.059 -8.856 1.516 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.094 -9.687 1.016 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.411 -9.089 0.890 1.00 0.41 C ATOM 1042 C GLY A 70 -3.398 -7.631 0.455 1.00 0.36 C ATOM 1043 O GLY A 70 -3.893 -6.762 1.177 1.00 0.45 O ATOM 0 H GLY A 70 -1.710 -10.089 0.161 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.992 -9.666 0.170 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.925 -9.166 1.848 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.852 -7.361 -0.717 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.823 -6.004 -1.264 1.00 0.30 C ATOM 1049 C LEU A 71 -3.485 -5.996 -2.640 1.00 0.24 C ATOM 1050 O LEU A 71 -3.549 -7.045 -3.281 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.373 -5.549 -1.367 1.00 0.38 C ATOM 1052 CG LEU A 71 -1.164 -4.091 -1.750 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.716 -3.171 -0.669 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.313 -3.830 -1.965 1.00 0.87 C ATOM 0 H LEU A 71 -2.419 -8.064 -1.316 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.369 -5.322 -0.613 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.887 -5.727 -0.408 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.867 -6.175 -2.102 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.701 -3.886 -2.676 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.558 -2.132 -0.960 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.783 -3.355 -0.545 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.202 -3.367 0.272 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.462 -2.786 -2.239 1.00 0.87 H new ATOM 0 HD22 LEU A 71 0.858 -4.045 -1.046 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.683 -4.471 -2.765 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.990 -4.848 -3.116 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.675 -4.863 -4.401 1.00 0.33 C ATOM 1068 C GLN A 72 -4.569 -3.559 -5.229 1.00 0.25 C ATOM 1069 O GLN A 72 -5.474 -2.739 -5.233 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.146 -5.275 -4.228 1.00 0.60 C ATOM 1071 CG GLN A 72 -7.051 -4.234 -3.571 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.295 -4.430 -2.089 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -6.489 -3.805 -1.269 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.234 -5.106 -1.681 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.938 -3.942 -2.651 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.141 -5.610 -4.989 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.554 -5.518 -5.209 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.181 -6.188 -3.633 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.612 -3.248 -3.723 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -8.013 -4.237 -4.084 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -8.846 -5.582 -2.344 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -8.403 -5.192 -0.679 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.443 -3.392 -5.932 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.332 -2.498 -7.107 1.00 0.26 C ATOM 1085 C ILE A 73 -3.564 -0.983 -6.864 1.00 0.23 C ATOM 1086 O ILE A 73 -3.074 -0.165 -7.636 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.281 -2.976 -8.246 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.999 -4.431 -8.628 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -4.134 -2.104 -9.476 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.942 -5.423 -7.985 1.00 0.77 C ATOM 0 H ILE A 73 -2.573 -3.874 -5.706 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.281 -2.581 -7.383 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.300 -2.898 -7.868 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -4.064 -4.532 -9.711 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -2.976 -4.680 -8.345 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.807 -2.459 -10.256 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.383 -1.073 -9.223 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -3.106 -2.151 -9.835 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -4.680 -6.432 -8.303 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -4.861 -5.351 -6.900 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -5.965 -5.201 -8.288 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.260 -0.588 -5.817 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.714 0.796 -5.730 1.00 0.25 C ATOM 1104 C GLY A 74 -5.109 1.178 -4.328 1.00 0.29 C ATOM 1105 O GLY A 74 -6.249 1.573 -4.071 1.00 0.37 O ATOM 0 H GLY A 74 -4.521 -1.183 -5.031 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -3.921 1.459 -6.076 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.564 0.940 -6.397 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.148 1.107 -3.433 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.427 1.190 -2.004 1.00 0.34 C ATOM 1111 C ASP A 75 -3.675 2.334 -1.382 1.00 0.30 C ATOM 1112 O ASP A 75 -2.607 2.688 -1.845 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.084 -0.115 -1.295 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.019 -1.233 -1.687 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.249 -1.046 -1.569 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.526 -2.303 -2.103 1.00 0.89 O ATOM 0 H ASP A 75 -3.161 0.992 -3.664 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.496 1.368 -1.886 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.059 -0.399 -1.534 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.130 0.035 -0.216 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.211 2.884 -0.316 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.655 4.077 0.275 1.00 0.28 C ATOM 1123 C LYS A 76 -2.894 3.713 1.527 1.00 0.28 C ATOM 1124 O LYS A 76 -3.465 3.457 2.575 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.757 5.103 0.564 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.287 5.783 -0.695 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.076 4.824 -1.580 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.990 5.229 -3.041 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.886 4.420 -3.911 1.00 2.20 N ATOM 0 H LYS A 76 -5.036 2.521 0.161 1.00 0.30 H new ATOM 0 HA LYS A 76 -2.961 4.538 -0.428 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.581 4.607 1.076 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.369 5.862 1.244 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.924 6.621 -0.412 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -4.452 6.194 -1.262 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -5.691 3.812 -1.457 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -7.119 4.809 -1.265 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.250 6.283 -3.138 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -4.961 5.121 -3.385 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.841 4.780 -4.886 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.581 3.426 -3.894 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -7.863 4.488 -3.562 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.601 3.673 1.381 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.706 3.268 2.427 1.00 0.27 C ATOM 1145 C ILE A 77 -0.629 4.311 3.523 1.00 0.25 C ATOM 1146 O ILE A 77 -0.287 5.491 3.265 1.00 0.29 O ATOM 1147 CB ILE A 77 0.691 3.008 1.859 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.661 1.762 0.984 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.743 2.894 2.955 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.568 2.066 -0.487 1.00 0.49 C ATOM 0 H ILE A 77 -1.129 3.926 0.513 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.097 2.347 2.860 1.00 0.27 H new ATOM 0 HB ILE A 77 0.978 3.864 1.248 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.560 1.175 1.170 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.189 1.144 1.274 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.719 2.710 2.505 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.776 3.822 3.526 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.488 2.069 3.620 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.551 1.133 -1.051 1.00 0.49 H new ATOM 0 HD12 ILE A 77 -0.345 2.627 -0.686 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.431 2.658 -0.791 1.00 0.49 H new ATOM 1162 N MET A 78 -0.975 3.841 4.727 1.00 0.22 N ATOM 1163 CA MET A 78 -0.949 4.627 5.947 1.00 0.24 C ATOM 1164 C MET A 78 0.404 4.544 6.624 1.00 0.24 C ATOM 1165 O MET A 78 0.719 5.357 7.490 1.00 0.30 O ATOM 1166 CB MET A 78 -2.001 4.116 6.939 1.00 0.33 C ATOM 1167 CG MET A 78 -3.392 3.888 6.363 1.00 0.32 C ATOM 1168 SD MET A 78 -4.304 5.417 6.074 1.00 0.75 S ATOM 1169 CE MET A 78 -3.278 6.159 4.817 1.00 1.06 C ATOM 0 H MET A 78 -1.287 2.881 4.874 1.00 0.22 H new ATOM 0 HA MET A 78 -1.159 5.659 5.666 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.646 3.178 7.367 1.00 0.33 H new ATOM 0 HB3 MET A 78 -2.079 4.831 7.758 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.304 3.343 5.423 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.961 3.257 7.045 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.829 6.959 4.323 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.378 6.569 5.277 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.998 5.403 4.083 1.00 1.06 H new ATOM 1179 N GLN A 79 1.189 3.543 6.257 1.00 0.23 N ATOM 1180 CA GLN A 79 2.473 3.308 6.906 1.00 0.23 C ATOM 1181 C GLN A 79 3.277 2.229 6.192 1.00 0.24 C ATOM 1182 O GLN A 79 2.713 1.347 5.545 1.00 0.24 O ATOM 1183 CB GLN A 79 2.257 2.931 8.385 1.00 0.26 C ATOM 1184 CG GLN A 79 3.161 1.813 8.888 1.00 0.54 C ATOM 1185 CD GLN A 79 3.132 1.652 10.391 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.979 2.757 11.105 1.00 0.82 O flip ATOM 1187 NE2 GLN A 79 3.282 0.544 10.905 1.00 0.43 N flip ATOM 0 H GLN A 79 0.962 2.881 5.515 1.00 0.23 H new ATOM 0 HA GLN A 79 3.049 4.232 6.853 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.418 3.816 9.000 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.218 2.631 8.523 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.860 0.874 8.423 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.185 2.012 8.570 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.396 -0.280 10.315 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.292 0.450 11.921 1.00 0.43 H new ATOM 1196 N VAL A 80 4.595 2.308 6.318 1.00 0.28 N ATOM 1197 CA VAL A 80 5.477 1.299 5.765 1.00 0.35 C ATOM 1198 C VAL A 80 6.612 1.009 6.744 1.00 0.31 C ATOM 1199 O VAL A 80 7.296 1.918 7.220 1.00 0.31 O ATOM 1200 CB VAL A 80 6.054 1.706 4.384 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.100 2.810 4.512 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.633 0.495 3.665 1.00 1.31 C ATOM 0 H VAL A 80 5.075 3.067 6.802 1.00 0.28 H new ATOM 0 HA VAL A 80 4.883 0.398 5.610 1.00 0.35 H new ATOM 0 HB VAL A 80 5.232 2.102 3.789 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.480 3.067 3.523 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.646 3.690 4.967 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.922 2.462 5.138 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.032 0.802 2.698 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.432 0.062 4.267 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.849 -0.248 3.514 1.00 1.31 H new ATOM 1212 N ASN A 81 6.754 -0.262 7.082 1.00 0.34 N ATOM 1213 CA ASN A 81 7.847 -0.743 7.922 1.00 0.38 C ATOM 1214 C ASN A 81 7.968 0.039 9.231 1.00 0.34 C ATOM 1215 O ASN A 81 9.056 0.150 9.796 1.00 0.40 O ATOM 1216 CB ASN A 81 9.160 -0.689 7.138 1.00 0.46 C ATOM 1217 CG ASN A 81 9.204 -1.717 6.024 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.688 -1.497 4.936 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.830 -2.847 6.290 1.00 1.18 N ATOM 0 H ASN A 81 6.113 -0.996 6.781 1.00 0.34 H new ATOM 0 HA ASN A 81 7.625 -1.775 8.195 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.288 0.308 6.716 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.995 -0.857 7.818 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.896 -3.573 5.577 1.00 1.18 H new ATOM 0 HD22 ASN A 81 10.248 -2.994 7.209 1.00 1.18 H new ATOM 1226 N GLY A 82 6.849 0.570 9.724 1.00 0.32 N ATOM 1227 CA GLY A 82 6.874 1.269 10.996 1.00 0.34 C ATOM 1228 C GLY A 82 6.785 2.779 10.854 1.00 0.31 C ATOM 1229 O GLY A 82 6.493 3.479 11.826 1.00 0.38 O ATOM 0 H GLY A 82 5.937 0.529 9.270 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.045 0.919 11.611 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.793 1.014 11.525 1.00 0.34 H new ATOM 1233 N TRP A 83 7.037 3.289 9.656 1.00 0.28 N ATOM 1234 CA TRP A 83 6.939 4.721 9.409 1.00 0.28 C ATOM 1235 C TRP A 83 5.525 5.069 9.029 1.00 0.29 C ATOM 1236 O TRP A 83 4.837 4.270 8.413 1.00 0.48 O ATOM 1237 CB TRP A 83 7.879 5.166 8.293 1.00 0.30 C ATOM 1238 CG TRP A 83 9.314 4.965 8.606 1.00 0.33 C ATOM 1239 CD1 TRP A 83 9.943 3.773 8.728 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.302 5.972 8.824 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.263 3.970 9.001 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.514 5.308 9.074 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.287 7.371 8.836 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.694 5.983 9.325 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.466 8.043 9.090 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.656 7.346 9.333 1.00 0.76 C ATOM 0 H TRP A 83 7.310 2.736 8.844 1.00 0.28 H new ATOM 0 HA TRP A 83 7.227 5.238 10.324 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.634 4.617 7.384 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.706 6.222 8.084 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.469 2.808 8.624 1.00 0.35 H new ATOM 0 HE1 TRP A 83 11.955 3.232 9.131 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.372 7.914 8.650 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.615 5.449 9.509 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.471 9.123 9.101 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.562 7.899 9.531 1.00 0.76 H new ATOM 1257 N ASP A 84 5.107 6.259 9.382 1.00 0.39 N ATOM 1258 CA ASP A 84 3.729 6.664 9.170 1.00 0.41 C ATOM 1259 C ASP A 84 3.579 7.462 7.883 1.00 0.40 C ATOM 1260 O ASP A 84 4.172 8.531 7.718 1.00 0.59 O ATOM 1261 CB ASP A 84 3.239 7.472 10.367 1.00 0.62 C ATOM 1262 CG ASP A 84 1.727 7.546 10.445 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.136 8.453 9.824 1.00 1.28 O ATOM 1264 OD2 ASP A 84 1.126 6.697 11.138 1.00 1.89 O ATOM 0 H ASP A 84 5.697 6.968 9.818 1.00 0.39 H new ATOM 0 HA ASP A 84 3.117 5.767 9.072 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.624 7.025 11.284 1.00 0.62 H new ATOM 0 HB3 ASP A 84 3.645 8.482 10.309 1.00 0.62 H new ATOM 1269 N MET A 85 2.794 6.923 6.966 1.00 0.36 N ATOM 1270 CA MET A 85 2.577 7.545 5.679 1.00 0.46 C ATOM 1271 C MET A 85 1.190 8.156 5.587 1.00 0.36 C ATOM 1272 O MET A 85 0.189 7.467 5.403 1.00 0.56 O ATOM 1273 CB MET A 85 2.773 6.535 4.544 1.00 0.76 C ATOM 1274 CG MET A 85 4.226 6.250 4.231 1.00 0.49 C ATOM 1275 SD MET A 85 5.105 5.510 5.609 1.00 1.01 S ATOM 1276 CE MET A 85 6.769 6.011 5.223 1.00 0.44 C ATOM 0 H MET A 85 2.292 6.044 7.096 1.00 0.36 H new ATOM 0 HA MET A 85 3.314 8.342 5.576 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.277 5.601 4.810 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.283 6.911 3.646 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.283 5.584 3.370 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.721 7.179 3.948 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.457 5.198 5.454 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.839 6.255 4.163 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.032 6.887 5.815 1.00 0.44 H new ATOM 1286 N THR A 86 1.152 9.458 5.732 1.00 0.31 N ATOM 1287 CA THR A 86 -0.023 10.242 5.420 1.00 0.35 C ATOM 1288 C THR A 86 0.358 11.288 4.404 1.00 0.46 C ATOM 1289 O THR A 86 -0.398 11.618 3.497 1.00 1.05 O ATOM 1290 CB THR A 86 -0.574 10.941 6.667 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.510 11.400 7.487 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.459 10.010 7.459 1.00 0.37 C ATOM 0 H THR A 86 1.940 10.009 6.072 1.00 0.31 H new ATOM 0 HA THR A 86 -0.794 9.577 5.031 1.00 0.35 H new ATOM 0 HB THR A 86 -1.173 11.794 6.347 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.152 11.848 8.282 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.838 10.529 8.339 1.00 0.37 H new ATOM 0 HG22 THR A 86 -2.296 9.688 6.839 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.883 9.139 7.771 1.00 0.37 H new ATOM 1300 N MET A 87 1.554 11.818 4.594 1.00 0.56 N ATOM 1301 CA MET A 87 2.115 12.805 3.701 1.00 0.65 C ATOM 1302 C MET A 87 3.627 12.698 3.724 1.00 0.76 C ATOM 1303 O MET A 87 4.302 13.480 4.389 1.00 1.49 O ATOM 1304 CB MET A 87 1.699 14.220 4.107 1.00 0.84 C ATOM 1305 CG MET A 87 0.696 14.273 5.256 1.00 0.97 C ATOM 1306 SD MET A 87 0.488 15.932 5.930 1.00 1.36 S ATOM 1307 CE MET A 87 -0.694 15.609 7.239 1.00 1.62 C ATOM 0 H MET A 87 2.162 11.572 5.376 1.00 0.56 H new ATOM 0 HA MET A 87 1.738 12.614 2.696 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.589 14.781 4.391 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.269 14.723 3.241 1.00 0.84 H new ATOM 0 HG2 MET A 87 -0.269 13.905 4.907 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.025 13.602 6.050 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.928 16.540 7.756 1.00 1.62 H new ATOM 0 HE2 MET A 87 -1.606 15.192 6.811 1.00 1.62 H new ATOM 0 HE3 MET A 87 -0.268 14.898 7.947 1.00 1.62 H new ATOM 1317 N VAL A 88 4.151 11.696 3.043 1.00 0.40 N ATOM 1318 CA VAL A 88 5.574 11.479 2.984 1.00 0.45 C ATOM 1319 C VAL A 88 5.960 11.104 1.555 1.00 0.36 C ATOM 1320 O VAL A 88 5.130 10.606 0.805 1.00 0.39 O ATOM 1321 CB VAL A 88 5.963 10.396 4.017 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.414 9.094 3.381 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.015 10.934 4.961 1.00 1.09 C ATOM 0 H VAL A 88 3.600 11.016 2.519 1.00 0.40 H new ATOM 0 HA VAL A 88 6.124 12.384 3.242 1.00 0.45 H new ATOM 0 HB VAL A 88 5.061 10.155 4.580 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.672 8.378 4.161 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.608 8.689 2.770 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.287 9.278 2.755 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.282 10.164 5.685 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.900 11.222 4.394 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.622 11.805 5.486 1.00 1.09 H new ATOM 1333 N THR A 89 7.183 11.420 1.158 1.00 0.31 N ATOM 1334 CA THR A 89 7.634 11.195 -0.194 1.00 0.28 C ATOM 1335 C THR A 89 7.591 9.712 -0.600 1.00 0.26 C ATOM 1336 O THR A 89 7.697 8.815 0.238 1.00 0.26 O ATOM 1337 CB THR A 89 9.050 11.782 -0.365 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.956 11.190 0.567 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.022 13.289 -0.139 1.00 0.35 C ATOM 0 H THR A 89 7.885 11.839 1.768 1.00 0.31 H new ATOM 0 HA THR A 89 6.944 11.706 -0.866 1.00 0.28 H new ATOM 0 HB THR A 89 9.386 11.567 -1.379 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.850 11.573 0.443 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.026 13.694 -0.262 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.352 13.753 -0.863 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.667 13.499 0.870 1.00 0.35 H new ATOM 1347 N HIS A 90 7.408 9.476 -1.898 1.00 0.26 N ATOM 1348 CA HIS A 90 7.340 8.127 -2.462 1.00 0.25 C ATOM 1349 C HIS A 90 8.589 7.365 -2.148 1.00 0.27 C ATOM 1350 O HIS A 90 8.555 6.189 -1.805 1.00 0.30 O ATOM 1351 CB HIS A 90 7.175 8.217 -3.970 1.00 0.25 C ATOM 1352 CG HIS A 90 7.148 6.895 -4.703 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.522 6.778 -6.021 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.732 5.649 -4.330 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.324 5.541 -6.428 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.854 4.834 -5.424 1.00 0.32 N ATOM 0 H HIS A 90 7.302 10.217 -2.591 1.00 0.26 H new ATOM 0 HA HIS A 90 6.488 7.607 -2.024 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.249 8.751 -4.185 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.990 8.818 -4.372 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.373 5.360 -3.353 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.516 5.169 -7.423 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.619 3.842 -5.455 1.00 0.32 H new ATOM 1365 N ASP A 91 9.684 8.063 -2.264 1.00 0.31 N ATOM 1366 CA ASP A 91 10.989 7.471 -2.043 1.00 0.34 C ATOM 1367 C ASP A 91 11.168 7.153 -0.585 1.00 0.32 C ATOM 1368 O ASP A 91 11.854 6.200 -0.235 1.00 0.33 O ATOM 1369 CB ASP A 91 12.109 8.373 -2.543 1.00 0.41 C ATOM 1370 CG ASP A 91 12.342 8.203 -4.028 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.561 8.766 -4.821 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.316 7.524 -4.410 1.00 1.67 O ATOM 0 H ASP A 91 9.706 9.052 -2.512 1.00 0.31 H new ATOM 0 HA ASP A 91 11.042 6.546 -2.617 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.862 9.413 -2.330 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.028 8.147 -2.002 1.00 0.41 H new ATOM 1377 N GLN A 92 10.526 7.942 0.266 1.00 0.31 N ATOM 1378 CA GLN A 92 10.597 7.725 1.689 1.00 0.32 C ATOM 1379 C GLN A 92 9.998 6.370 2.025 1.00 0.29 C ATOM 1380 O GLN A 92 10.609 5.542 2.706 1.00 0.31 O ATOM 1381 CB GLN A 92 9.821 8.823 2.385 1.00 0.36 C ATOM 1382 CG GLN A 92 9.678 8.611 3.860 1.00 0.42 C ATOM 1383 CD GLN A 92 10.888 9.074 4.628 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.830 8.314 4.864 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.864 10.334 5.014 1.00 0.62 N ATOM 0 H GLN A 92 9.951 8.737 -0.013 1.00 0.31 H new ATOM 0 HA GLN A 92 11.635 7.743 2.022 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.319 9.776 2.210 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.829 8.895 1.939 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.798 9.146 4.217 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.509 7.552 4.057 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.059 10.920 4.792 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.650 10.723 5.534 1.00 0.62 H new ATOM 1394 N ALA A 93 8.807 6.138 1.495 1.00 0.27 N ATOM 1395 CA ALA A 93 8.091 4.904 1.750 1.00 0.28 C ATOM 1396 C ALA A 93 8.729 3.759 0.976 1.00 0.28 C ATOM 1397 O ALA A 93 8.755 2.616 1.432 1.00 0.33 O ATOM 1398 CB ALA A 93 6.624 5.066 1.377 1.00 0.33 C ATOM 0 H ALA A 93 8.317 6.792 0.884 1.00 0.27 H new ATOM 0 HA ALA A 93 8.149 4.669 2.813 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.094 4.134 1.572 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.183 5.865 1.973 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.543 5.315 0.319 1.00 0.33 H new ATOM 1404 N ARG A 94 9.277 4.092 -0.182 1.00 0.27 N ATOM 1405 CA ARG A 94 9.874 3.099 -1.059 1.00 0.30 C ATOM 1406 C ARG A 94 11.173 2.568 -0.476 1.00 0.33 C ATOM 1407 O ARG A 94 11.435 1.366 -0.532 1.00 0.37 O ATOM 1408 CB ARG A 94 10.135 3.692 -2.440 1.00 0.34 C ATOM 1409 CG ARG A 94 10.371 2.639 -3.508 1.00 0.43 C ATOM 1410 CD ARG A 94 10.388 3.226 -4.910 1.00 0.57 C ATOM 1411 NE ARG A 94 11.338 4.329 -5.068 1.00 1.04 N ATOM 1412 CZ ARG A 94 11.665 4.852 -6.255 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.204 4.297 -7.371 1.00 1.57 N ATOM 1414 NH2 ARG A 94 12.463 5.909 -6.330 1.00 2.10 N ATOM 0 H ARG A 94 9.320 5.047 -0.537 1.00 0.27 H new ATOM 0 HA ARG A 94 9.170 2.272 -1.153 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.285 4.310 -2.730 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.003 4.349 -2.388 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.320 2.138 -3.316 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.591 1.880 -3.445 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.635 2.439 -5.622 1.00 0.57 H new ATOM 0 HD3 ARG A 94 9.388 3.579 -5.160 1.00 0.57 H new ATOM 0 HE ARG A 94 11.772 4.718 -4.231 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.603 3.475 -7.321 1.00 1.57 H new ATOM 0 HH12 ARG A 94 11.451 4.693 -8.278 1.00 1.57 H new ATOM 0 HH21 ARG A 94 12.833 6.330 -5.478 1.00 2.10 H new ATOM 0 HH22 ARG A 94 12.707 6.301 -7.240 1.00 2.10 H new ATOM 1428 N LYS A 95 11.995 3.452 0.086 1.00 0.33 N ATOM 1429 CA LYS A 95 13.252 3.006 0.655 1.00 0.40 C ATOM 1430 C LYS A 95 12.994 2.230 1.926 1.00 0.42 C ATOM 1431 O LYS A 95 13.744 1.329 2.273 1.00 0.46 O ATOM 1432 CB LYS A 95 14.235 4.158 0.921 1.00 0.46 C ATOM 1433 CG LYS A 95 13.760 5.234 1.884 1.00 0.64 C ATOM 1434 CD LYS A 95 13.981 4.851 3.343 1.00 0.56 C ATOM 1435 CE LYS A 95 15.439 4.530 3.651 1.00 0.60 C ATOM 1436 NZ LYS A 95 16.340 5.672 3.338 1.00 0.96 N ATOM 0 H LYS A 95 11.816 4.454 0.156 1.00 0.33 H new ATOM 0 HA LYS A 95 13.726 2.360 -0.084 1.00 0.40 H new ATOM 0 HB2 LYS A 95 15.162 3.735 1.309 1.00 0.46 H new ATOM 0 HB3 LYS A 95 14.475 4.631 -0.031 1.00 0.46 H new ATOM 0 HG2 LYS A 95 14.287 6.165 1.672 1.00 0.64 H new ATOM 0 HG3 LYS A 95 12.699 5.423 1.718 1.00 0.64 H new ATOM 0 HD2 LYS A 95 13.650 5.668 3.983 1.00 0.56 H new ATOM 0 HD3 LYS A 95 13.363 3.986 3.585 1.00 0.56 H new ATOM 0 HE2 LYS A 95 15.538 4.269 4.705 1.00 0.60 H new ATOM 0 HE3 LYS A 95 15.747 3.657 3.076 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 17.302 5.457 3.671 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 16.357 5.829 2.310 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 15.992 6.529 3.814 1.00 0.96 H new ATOM 1450 N ARG A 96 11.933 2.583 2.626 1.00 0.45 N ATOM 1451 CA ARG A 96 11.605 1.880 3.845 1.00 0.51 C ATOM 1452 C ARG A 96 11.187 0.459 3.553 1.00 0.57 C ATOM 1453 O ARG A 96 11.509 -0.453 4.308 1.00 0.72 O ATOM 1454 CB ARG A 96 10.525 2.599 4.632 1.00 0.55 C ATOM 1455 CG ARG A 96 11.065 3.778 5.411 1.00 0.59 C ATOM 1456 CD ARG A 96 12.408 3.439 6.040 1.00 0.72 C ATOM 1457 NE ARG A 96 12.411 2.112 6.677 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.171 1.790 7.720 1.00 2.35 C ATOM 1459 NH1 ARG A 96 13.964 2.703 8.261 1.00 1.58 N ATOM 1460 NH2 ARG A 96 13.142 0.559 8.215 1.00 3.57 N ATOM 0 H ARG A 96 11.295 3.339 2.376 1.00 0.45 H new ATOM 0 HA ARG A 96 12.506 1.857 4.458 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.750 2.944 3.948 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.054 1.898 5.320 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.174 4.637 4.750 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.355 4.062 6.188 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.183 3.473 5.275 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.660 4.196 6.783 1.00 0.72 H new ATOM 0 HE ARG A 96 11.793 1.396 6.295 1.00 1.98 H new ATOM 0 HH11 ARG A 96 13.990 3.648 7.878 1.00 1.58 H new ATOM 0 HH12 ARG A 96 14.549 2.461 9.061 1.00 1.58 H new ATOM 0 HH21 ARG A 96 12.535 -0.145 7.795 1.00 3.57 H new ATOM 0 HH22 ARG A 96 13.727 0.317 9.015 1.00 3.57 H new ATOM 1474 N LEU A 97 10.470 0.298 2.461 1.00 0.52 N ATOM 1475 CA LEU A 97 10.101 -1.008 1.966 1.00 0.57 C ATOM 1476 C LEU A 97 11.355 -1.837 1.688 1.00 0.64 C ATOM 1477 O LEU A 97 11.521 -2.946 2.200 1.00 0.96 O ATOM 1478 CB LEU A 97 9.284 -0.821 0.686 1.00 0.70 C ATOM 1479 CG LEU A 97 8.437 -2.007 0.235 1.00 0.88 C ATOM 1480 CD1 LEU A 97 7.579 -1.597 -0.948 1.00 1.45 C ATOM 1481 CD2 LEU A 97 9.301 -3.204 -0.133 1.00 1.65 C ATOM 0 H LEU A 97 10.127 1.072 1.892 1.00 0.52 H new ATOM 0 HA LEU A 97 9.506 -1.540 2.708 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.624 0.035 0.826 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.970 -0.566 -0.122 1.00 0.70 H new ATOM 0 HG LEU A 97 7.798 -2.306 1.066 1.00 0.88 H new ATOM 0 HD11 LEU A 97 6.974 -2.445 -1.270 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.926 -0.775 -0.656 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.220 -1.277 -1.769 1.00 1.45 H new ATOM 0 HD21 LEU A 97 8.663 -4.029 -0.449 1.00 1.65 H new ATOM 0 HD22 LEU A 97 9.972 -2.931 -0.947 1.00 1.65 H new ATOM 0 HD23 LEU A 97 9.887 -3.510 0.734 1.00 1.65 H new ATOM 1493 N THR A 98 12.236 -1.290 0.868 1.00 0.54 N ATOM 1494 CA THR A 98 13.405 -2.021 0.427 1.00 0.65 C ATOM 1495 C THR A 98 14.695 -1.502 1.062 1.00 0.74 C ATOM 1496 O THR A 98 15.061 -1.938 2.159 1.00 1.53 O ATOM 1497 CB THR A 98 13.507 -1.995 -1.114 1.00 0.92 C ATOM 1498 OG1 THR A 98 12.282 -2.467 -1.687 1.00 1.15 O ATOM 1499 CG2 THR A 98 14.659 -2.850 -1.610 1.00 1.12 C ATOM 0 H THR A 98 12.162 -0.343 0.496 1.00 0.54 H new ATOM 0 HA THR A 98 13.282 -3.052 0.759 1.00 0.65 H new ATOM 0 HB THR A 98 13.691 -0.965 -1.421 1.00 0.92 H new ATOM 0 HG1 THR A 98 12.349 -2.448 -2.664 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.701 -2.808 -2.698 1.00 1.12 H new ATOM 0 HG22 THR A 98 15.595 -2.475 -1.196 1.00 1.12 H new ATOM 0 HG23 THR A 98 14.510 -3.882 -1.292 1.00 1.12 H new ATOM 1507 N LYS A 99 15.397 -0.602 0.356 1.00 0.79 N ATOM 1508 CA LYS A 99 16.696 -0.090 0.807 1.00 1.12 C ATOM 1509 C LYS A 99 17.744 -1.212 0.850 1.00 1.36 C ATOM 1510 O LYS A 99 18.915 -1.008 1.178 1.00 2.28 O ATOM 1511 CB LYS A 99 16.496 0.605 2.158 1.00 1.29 C ATOM 1512 CG LYS A 99 17.680 0.581 3.081 1.00 1.18 C ATOM 1513 CD LYS A 99 17.264 0.869 4.511 1.00 1.56 C ATOM 1514 CE LYS A 99 16.183 -0.102 4.974 1.00 1.98 C ATOM 1515 NZ LYS A 99 16.465 -0.644 6.328 1.00 2.72 N ATOM 0 H LYS A 99 15.083 -0.214 -0.533 1.00 0.79 H new ATOM 0 HA LYS A 99 17.087 0.643 0.101 1.00 1.12 H new ATOM 0 HB2 LYS A 99 16.222 1.644 1.975 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.652 0.137 2.666 1.00 1.29 H new ATOM 0 HG2 LYS A 99 18.165 -0.394 3.030 1.00 1.18 H new ATOM 0 HG3 LYS A 99 18.413 1.320 2.756 1.00 1.18 H new ATOM 0 HD2 LYS A 99 18.131 0.793 5.168 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.895 1.892 4.587 1.00 1.56 H new ATOM 0 HE2 LYS A 99 15.218 0.405 4.980 1.00 1.98 H new ATOM 0 HE3 LYS A 99 16.106 -0.925 4.263 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 15.913 -1.513 6.476 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 17.479 -0.860 6.411 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 16.201 0.061 7.046 1.00 2.72 H new ATOM 1529 N ARG A 100 17.300 -2.378 0.428 1.00 1.04 N ATOM 1530 CA ARG A 100 18.087 -3.595 0.435 1.00 1.17 C ATOM 1531 C ARG A 100 18.576 -3.917 1.842 1.00 1.12 C ATOM 1532 O ARG A 100 19.779 -4.035 2.080 1.00 1.39 O ATOM 1533 CB ARG A 100 19.276 -3.515 -0.536 1.00 1.55 C ATOM 1534 CG ARG A 100 18.884 -3.221 -1.974 1.00 2.10 C ATOM 1535 CD ARG A 100 20.023 -3.525 -2.934 1.00 2.50 C ATOM 1536 NE ARG A 100 21.275 -2.869 -2.545 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.485 -3.336 -2.852 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.607 -4.471 -3.535 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.569 -2.679 -2.462 1.00 4.38 N ATOM 0 H ARG A 100 16.357 -2.509 0.061 1.00 1.04 H new ATOM 0 HA ARG A 100 17.435 -4.400 0.096 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.961 -2.740 -0.192 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.821 -4.459 -0.505 1.00 1.55 H new ATOM 0 HG2 ARG A 100 18.011 -3.816 -2.243 1.00 2.10 H new ATOM 0 HG3 ARG A 100 18.597 -2.174 -2.067 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.180 -4.603 -2.977 1.00 2.50 H new ATOM 0 HD3 ARG A 100 19.744 -3.203 -3.937 1.00 2.50 H new ATOM 0 HE ARG A 100 21.217 -2.004 -2.008 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.774 -4.984 -3.824 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.533 -4.828 -3.770 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.477 -1.816 -1.927 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.495 -3.037 -2.697 1.00 4.38 H new ATOM 1553 N SER A 101 17.645 -4.066 2.778 1.00 1.05 N ATOM 1554 CA SER A 101 18.027 -4.272 4.165 1.00 1.37 C ATOM 1555 C SER A 101 16.940 -5.005 4.957 1.00 1.22 C ATOM 1556 O SER A 101 17.230 -5.987 5.642 1.00 1.64 O ATOM 1557 CB SER A 101 18.341 -2.915 4.806 1.00 1.90 C ATOM 1558 OG SER A 101 18.891 -3.060 6.101 1.00 2.51 O ATOM 0 H SER A 101 16.640 -4.048 2.605 1.00 1.05 H new ATOM 0 HA SER A 101 18.914 -4.905 4.187 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.040 -2.367 4.174 1.00 1.90 H new ATOM 0 HB3 SER A 101 17.429 -2.320 4.863 1.00 1.90 H new ATOM 0 HG SER A 101 19.080 -2.175 6.477 1.00 2.51 H new ATOM 1564 N GLU A 102 15.695 -4.539 4.846 1.00 1.06 N ATOM 1565 CA GLU A 102 14.587 -5.081 5.644 1.00 1.19 C ATOM 1566 C GLU A 102 14.466 -6.602 5.501 1.00 0.93 C ATOM 1567 O GLU A 102 14.548 -7.146 4.396 1.00 1.34 O ATOM 1568 CB GLU A 102 13.267 -4.424 5.236 1.00 1.63 C ATOM 1569 CG GLU A 102 13.260 -2.913 5.402 1.00 2.12 C ATOM 1570 CD GLU A 102 13.471 -2.478 6.838 1.00 2.70 C ATOM 1571 OE1 GLU A 102 14.635 -2.294 7.243 1.00 3.40 O ATOM 1572 OE2 GLU A 102 12.475 -2.307 7.570 1.00 2.95 O ATOM 0 H GLU A 102 15.426 -3.787 4.212 1.00 1.06 H new ATOM 0 HA GLU A 102 14.804 -4.857 6.688 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.057 -4.667 4.194 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.460 -4.850 5.832 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.042 -2.480 4.778 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.310 -2.517 5.043 1.00 2.12 H new ATOM 1579 N GLU A 103 14.273 -7.280 6.630 1.00 0.74 N ATOM 1580 CA GLU A 103 14.138 -8.737 6.640 1.00 0.68 C ATOM 1581 C GLU A 103 12.677 -9.141 6.455 1.00 0.54 C ATOM 1582 O GLU A 103 12.363 -10.286 6.125 1.00 0.61 O ATOM 1583 CB GLU A 103 14.679 -9.309 7.951 1.00 0.95 C ATOM 1584 CG GLU A 103 13.902 -8.864 9.181 1.00 1.37 C ATOM 1585 CD GLU A 103 14.510 -9.364 10.473 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.311 -10.547 10.816 1.00 2.68 O ATOM 1587 OE2 GLU A 103 15.182 -8.569 11.160 1.00 2.58 O ATOM 0 H GLU A 103 14.206 -6.845 7.550 1.00 0.74 H new ATOM 0 HA GLU A 103 14.718 -9.143 5.811 1.00 0.68 H new ATOM 0 HB2 GLU A 103 14.662 -10.397 7.896 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.722 -9.011 8.064 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.859 -7.775 9.203 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.875 -9.222 9.106 1.00 1.37 H new ATOM 1594 N VAL A 104 11.800 -8.180 6.655 1.00 0.40 N ATOM 1595 CA VAL A 104 10.366 -8.387 6.561 1.00 0.33 C ATOM 1596 C VAL A 104 9.715 -7.068 6.166 1.00 0.29 C ATOM 1597 O VAL A 104 10.229 -6.002 6.498 1.00 0.34 O ATOM 1598 CB VAL A 104 9.774 -8.923 7.895 1.00 0.38 C ATOM 1599 CG1 VAL A 104 10.132 -8.013 9.058 1.00 0.44 C ATOM 1600 CG2 VAL A 104 8.262 -9.092 7.799 1.00 0.37 C ATOM 0 H VAL A 104 12.063 -7.223 6.890 1.00 0.40 H new ATOM 0 HA VAL A 104 10.161 -9.144 5.804 1.00 0.33 H new ATOM 0 HB VAL A 104 10.216 -9.903 8.078 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.705 -8.413 9.978 1.00 0.44 H new ATOM 0 HG12 VAL A 104 11.216 -7.957 9.156 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.732 -7.015 8.876 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.877 -9.468 8.747 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.802 -8.129 7.577 1.00 0.37 H new ATOM 0 HG23 VAL A 104 8.025 -9.800 7.005 1.00 0.37 H new ATOM 1610 N VAL A 105 8.620 -7.120 5.438 1.00 0.28 N ATOM 1611 CA VAL A 105 8.030 -5.910 4.915 1.00 0.28 C ATOM 1612 C VAL A 105 6.671 -5.623 5.508 1.00 0.26 C ATOM 1613 O VAL A 105 5.724 -6.401 5.387 1.00 0.26 O ATOM 1614 CB VAL A 105 7.950 -5.924 3.396 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.109 -4.764 2.920 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.348 -5.845 2.838 1.00 0.46 C ATOM 0 H VAL A 105 8.125 -7.979 5.197 1.00 0.28 H new ATOM 0 HA VAL A 105 8.698 -5.103 5.215 1.00 0.28 H new ATOM 0 HB VAL A 105 7.481 -6.845 3.049 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.054 -4.777 1.831 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.105 -4.848 3.335 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.560 -3.828 3.249 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.306 -5.854 1.749 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.823 -4.924 3.175 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.928 -6.700 3.186 1.00 0.46 H new ATOM 1626 N ARG A 106 6.624 -4.500 6.184 1.00 0.29 N ATOM 1627 CA ARG A 106 5.461 -4.057 6.899 1.00 0.28 C ATOM 1628 C ARG A 106 4.720 -3.000 6.111 1.00 0.26 C ATOM 1629 O ARG A 106 5.297 -1.989 5.726 1.00 0.32 O ATOM 1630 CB ARG A 106 5.904 -3.534 8.247 1.00 0.35 C ATOM 1631 CG ARG A 106 6.631 -4.584 9.068 1.00 0.43 C ATOM 1632 CD ARG A 106 8.091 -4.741 8.636 1.00 0.54 C ATOM 1633 NE ARG A 106 8.997 -4.663 9.782 1.00 0.81 N ATOM 1634 CZ ARG A 106 10.302 -4.410 9.695 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.914 -4.423 8.523 1.00 1.76 N ATOM 1636 NH2 ARG A 106 11.007 -4.208 10.795 1.00 1.46 N ATOM 0 H ARG A 106 7.413 -3.858 6.251 1.00 0.29 H new ATOM 0 HA ARG A 106 4.769 -4.887 7.043 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.558 -2.674 8.102 1.00 0.35 H new ATOM 0 HB3 ARG A 106 5.033 -3.183 8.801 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.592 -4.310 10.122 1.00 0.43 H new ATOM 0 HG3 ARG A 106 6.119 -5.541 8.968 1.00 0.43 H new ATOM 0 HD2 ARG A 106 8.222 -5.698 8.131 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.345 -3.963 7.916 1.00 0.54 H new ATOM 0 HE ARG A 106 8.603 -4.812 10.711 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.386 -4.628 7.674 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.914 -4.228 8.467 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.552 -4.246 11.707 1.00 1.46 H new ATOM 0 HH22 ARG A 106 12.006 -4.014 10.732 1.00 1.46 H new ATOM 1650 N LEU A 107 3.459 -3.233 5.871 1.00 0.24 N ATOM 1651 CA LEU A 107 2.654 -2.302 5.101 1.00 0.24 C ATOM 1652 C LEU A 107 1.328 -2.032 5.797 1.00 0.21 C ATOM 1653 O LEU A 107 0.604 -2.962 6.140 1.00 0.28 O ATOM 1654 CB LEU A 107 2.397 -2.858 3.700 1.00 0.37 C ATOM 1655 CG LEU A 107 1.713 -1.893 2.732 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.673 -0.785 2.319 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.182 -2.647 1.520 1.00 1.12 C ATOM 0 H LEU A 107 2.958 -4.060 6.195 1.00 0.24 H new ATOM 0 HA LEU A 107 3.204 -1.364 5.020 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.349 -3.166 3.268 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.783 -3.754 3.789 1.00 0.37 H new ATOM 0 HG LEU A 107 0.865 -1.429 3.236 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.171 -0.106 1.630 1.00 0.98 H new ATOM 0 HD12 LEU A 107 2.993 -0.233 3.203 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.543 -1.222 1.829 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.697 -1.947 0.839 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.008 -3.139 1.007 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.460 -3.396 1.845 1.00 1.12 H new ATOM 1669 N LEU A 108 1.014 -0.770 6.013 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.285 -0.397 6.512 1.00 0.15 C ATOM 1671 C LEU A 108 -1.012 0.296 5.384 1.00 0.15 C ATOM 1672 O LEU A 108 -0.563 1.328 4.909 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.132 0.522 7.722 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.425 1.085 8.303 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.398 -0.042 8.618 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.111 1.888 9.558 1.00 0.26 C ATOM 0 H LEU A 108 1.646 0.013 5.849 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.851 -1.269 6.839 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.387 -0.028 8.507 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.510 1.357 7.440 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.893 1.742 7.570 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.316 0.375 9.032 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.628 -0.590 7.704 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.948 -0.719 9.344 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.035 2.290 9.973 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.634 1.241 10.294 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.439 2.708 9.306 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.095 -0.288 4.922 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.778 0.230 3.753 1.00 0.21 C ATOM 1690 C VAL A 109 -4.244 0.425 4.039 1.00 0.22 C ATOM 1691 O VAL A 109 -4.838 -0.282 4.852 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.596 -0.730 2.546 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.908 -1.329 2.083 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -1.914 -0.057 1.391 1.00 0.77 C ATOM 0 H VAL A 109 -2.522 -1.118 5.334 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.339 1.196 3.503 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.959 -1.538 2.905 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.727 -1.993 1.237 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.357 -1.895 2.899 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.585 -0.531 1.779 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -1.807 -0.765 0.569 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.510 0.794 1.062 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -0.928 0.289 1.702 1.00 0.77 H new ATOM 1704 N THR A 110 -4.823 1.395 3.382 1.00 0.22 N ATOM 1705 CA THR A 110 -6.257 1.518 3.397 1.00 0.25 C ATOM 1706 C THR A 110 -6.836 0.886 2.143 1.00 0.26 C ATOM 1707 O THR A 110 -6.607 1.365 1.029 1.00 0.30 O ATOM 1708 CB THR A 110 -6.721 2.965 3.465 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.663 3.821 3.891 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.879 3.091 4.420 1.00 0.33 C ATOM 0 H THR A 110 -4.332 2.103 2.836 1.00 0.22 H new ATOM 0 HA THR A 110 -6.608 1.008 4.294 1.00 0.25 H new ATOM 0 HB THR A 110 -7.034 3.266 2.465 1.00 0.30 H new ATOM 0 HG1 THR A 110 -5.000 3.903 3.174 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.204 4.130 4.462 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.704 2.466 4.077 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.568 2.768 5.413 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.585 -0.178 2.344 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.164 -0.950 1.269 1.00 0.37 C ATOM 1720 C ARG A 111 -9.620 -0.546 1.073 1.00 0.42 C ATOM 1721 O ARG A 111 -10.340 -0.322 2.036 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.036 -2.436 1.620 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.224 -3.285 1.220 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.173 -4.637 1.903 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.371 -5.432 1.637 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.950 -6.231 2.533 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -10.431 -6.364 3.749 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -12.040 -6.911 2.211 1.00 2.01 N ATOM 0 H ARG A 111 -7.811 -0.534 3.273 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.641 -0.761 0.332 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.143 -2.834 1.137 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.885 -2.530 2.695 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.149 -2.773 1.486 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.233 -3.419 0.138 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.293 -5.182 1.562 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.063 -4.496 2.978 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.789 -5.371 0.709 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -9.585 -5.853 4.001 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -10.879 -6.977 4.430 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.438 -6.824 1.276 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -12.482 -7.522 2.898 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.046 -0.436 -0.169 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.407 -0.007 -0.465 1.00 0.71 C ATOM 1744 C GLN A 112 -12.276 -1.197 -0.788 1.00 0.89 C ATOM 1745 O GLN A 112 -13.090 -1.622 0.027 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.436 0.985 -1.629 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.095 1.147 -2.304 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.123 1.957 -1.458 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.524 2.880 -0.744 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -7.855 1.596 -1.492 1.00 0.66 N ATOM 0 H GLN A 112 -9.475 -0.636 -0.990 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.796 0.493 0.422 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.168 0.651 -2.364 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -11.771 1.955 -1.263 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -9.669 0.164 -2.504 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.232 1.637 -3.268 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -7.559 0.828 -2.095 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.170 2.085 -0.916 1.00 0.66 H new ATOM 1759 N SER A 113 -12.061 -1.756 -1.965 1.00 0.79 N ATOM 1760 CA SER A 113 -12.876 -2.855 -2.447 1.00 0.96 C ATOM 1761 C SER A 113 -12.455 -3.262 -3.845 1.00 0.89 C ATOM 1762 O SER A 113 -13.115 -2.953 -4.836 1.00 1.18 O ATOM 1763 CB SER A 113 -14.360 -2.488 -2.433 1.00 1.25 C ATOM 1764 OG SER A 113 -15.183 -3.628 -2.588 1.00 1.62 O ATOM 0 H SER A 113 -11.324 -1.465 -2.608 1.00 0.79 H new ATOM 0 HA SER A 113 -12.724 -3.699 -1.774 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.603 -1.989 -1.495 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.567 -1.778 -3.234 1.00 1.25 H new ATOM 0 HG SER A 113 -16.124 -3.356 -2.573 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.317 -3.911 -3.907 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.773 -4.410 -5.162 1.00 0.94 C ATOM 1772 C LEU A 114 -10.259 -5.826 -4.944 1.00 1.13 C ATOM 1773 O LEU A 114 -9.884 -6.529 -5.883 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.625 -3.508 -5.622 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.635 -2.094 -5.028 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -8.250 -1.495 -5.070 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -10.612 -1.195 -5.763 1.00 1.23 C ATOM 0 H LEU A 114 -10.737 -4.112 -3.093 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.549 -4.412 -5.928 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.681 -3.987 -5.365 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -9.657 -3.430 -6.709 1.00 0.90 H new ATOM 0 HG LEU A 114 -9.958 -2.172 -3.990 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -8.274 -0.492 -4.645 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -7.567 -2.117 -4.492 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -7.907 -1.443 -6.103 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -10.596 -0.200 -5.318 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.326 -1.128 -6.813 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -11.617 -1.610 -5.687 1.00 1.23 H new