USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 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 151 SER OG : rot 132:sc= 0.519 USER MOD Set 1.2: A 154 THR OG1 : rot 180:sc= 0.407 USER MOD Set 2.1: A 148 CYS SG : rot -50:sc= -0.622 USER MOD Set 2.2: A 160 HIS : no HD1:sc= 0.164 K(o=-0.46,f=-3.3!) USER MOD Set 3.1: A 19 HIS : no HD1:sc= -1.71 K(o=-1.4,f=-4.5!) USER MOD Set 3.2: A 96 THR OG1 : rot -130:sc= 0.301 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -0.913 K(o=-1.4,f=-3.6) USER MOD Set 4.2: A 93 MET CE :methyl 155:sc= -0.537 (180deg=-1.96!) USER MOD Set 4.3: A 95 GLN : amide:sc= 0.0153 X(o=-1.4,f=-1.3) USER MOD Set 5.1: A 49 GLN : amide:sc= 0.643 K(o=1.4,f=0.077) USER MOD Set 5.2: A 58 THR OG1 : rot -116:sc= 0.726 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0822) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00149 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.554 X(o=-0.55,f=-0.37) USER MOD Single : A 31 SER OG : rot 71:sc= 1.08 USER MOD Single : A 48 TYR OH : rot 89:sc= -2.62! USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0.556 (180deg=0.556) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 115 ASN : amide:sc= 0.704 K(o=0.7,f=-3.7!) USER MOD Single : A 116 LYS NZ :NH3+ -125:sc= 0.849 (180deg=-0.33!) USER MOD Single : A 117 MET CE :methyl 158:sc= -0.716 (180deg=-1.43) USER MOD Single : A 123 ASN : amide:sc= 0.372 K(o=0.37,f=-5.7!) USER MOD Single : A 128 MET CE :methyl -165:sc= -0.247 (180deg=-0.842) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 156:sc= -3.48! (180deg=-5.42!) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.509 USER MOD Single : A 135 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.6!) USER MOD Single : A 145 THR OG1 : rot -57:sc= -2.61! USER MOD Single : A 149 LYS NZ :NH3+ -166:sc= -0.0228 (180deg=-0.223) USER MOD Single : A 153 LYS NZ :NH3+ 163:sc= -0.137 (180deg=-0.601) USER MOD Single : A 155 LYS NZ :NH3+ 177:sc= 0.301 (180deg=0.279) USER MOD Single : A 164 MET CE :methyl -161:sc= -4.39! (180deg=-5.95!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -13.706 2.695 -6.219 1.00 0.67 N ATOM 156 CA VAL A 11 -12.494 2.161 -5.658 1.00 0.60 C ATOM 157 C VAL A 11 -12.792 1.360 -4.379 1.00 0.56 C ATOM 158 O VAL A 11 -13.761 1.644 -3.664 1.00 0.74 O ATOM 159 CB VAL A 11 -11.497 3.292 -5.360 1.00 0.61 C ATOM 160 CG1 VAL A 11 -11.256 4.158 -6.589 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.965 4.152 -4.216 1.00 0.98 C ATOM 0 HA VAL A 11 -12.048 1.486 -6.389 1.00 0.60 H new ATOM 0 HB VAL A 11 -10.557 2.818 -5.077 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.546 4.948 -6.344 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.852 3.544 -7.393 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -12.198 4.603 -6.911 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.236 4.942 -4.032 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -12.928 4.598 -4.466 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.070 3.540 -3.320 1.00 0.98 H new ATOM 171 N THR A 12 -11.955 0.365 -4.100 1.00 0.46 N ATOM 172 CA THR A 12 -12.150 -0.528 -2.958 1.00 0.45 C ATOM 173 C THR A 12 -10.868 -0.642 -2.120 1.00 0.39 C ATOM 174 O THR A 12 -9.778 -0.809 -2.663 1.00 0.43 O ATOM 175 CB THR A 12 -12.590 -1.932 -3.437 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.890 -1.864 -4.043 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.627 -2.935 -2.288 1.00 0.62 C ATOM 0 H THR A 12 -11.126 0.154 -4.655 1.00 0.46 H new ATOM 0 HA THR A 12 -12.935 -0.102 -2.333 1.00 0.45 H new ATOM 0 HB THR A 12 -11.855 -2.271 -4.167 1.00 0.55 H new ATOM 0 HG1 THR A 12 -14.158 -2.757 -4.344 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.940 -3.909 -2.665 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.634 -3.019 -1.847 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.333 -2.595 -1.531 1.00 0.62 H new ATOM 185 N ILE A 13 -11.011 -0.550 -0.794 1.00 0.39 N ATOM 186 CA ILE A 13 -9.871 -0.597 0.129 1.00 0.38 C ATOM 187 C ILE A 13 -9.429 -2.047 0.388 1.00 0.37 C ATOM 188 O ILE A 13 -10.253 -2.901 0.711 1.00 0.51 O ATOM 189 CB ILE A 13 -10.229 0.062 1.487 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.739 1.496 1.284 1.00 0.86 C ATOM 191 CG2 ILE A 13 -9.029 0.051 2.430 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.702 2.453 0.733 1.00 1.03 C ATOM 0 H ILE A 13 -11.914 -0.442 -0.332 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.056 -0.047 -0.341 1.00 0.38 H new ATOM 0 HB ILE A 13 -11.028 -0.524 1.942 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -11.592 1.473 0.606 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.100 1.880 2.238 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -9.305 0.518 3.375 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.718 -0.978 2.611 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -8.206 0.605 1.978 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.144 3.443 0.620 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -8.857 2.509 1.420 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.357 2.097 -0.238 1.00 1.03 H new ATOM 204 N MET A 14 -8.130 -2.313 0.242 1.00 0.31 N ATOM 205 CA MET A 14 -7.571 -3.638 0.456 1.00 0.35 C ATOM 206 C MET A 14 -6.242 -3.569 1.213 1.00 0.29 C ATOM 207 O MET A 14 -5.587 -2.532 1.224 1.00 0.46 O ATOM 208 CB MET A 14 -7.323 -4.292 -0.893 1.00 0.56 C ATOM 209 CG MET A 14 -8.562 -4.859 -1.562 1.00 0.75 C ATOM 210 SD MET A 14 -9.314 -6.192 -0.616 1.00 1.04 S ATOM 211 CE MET A 14 -10.479 -6.815 -1.818 1.00 0.77 C ATOM 0 H MET A 14 -7.440 -1.612 -0.028 1.00 0.31 H new ATOM 0 HA MET A 14 -8.281 -4.215 1.049 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.871 -3.558 -1.560 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.597 -5.095 -0.764 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.292 -4.061 -1.701 1.00 0.75 H new ATOM 0 HG3 MET A 14 -8.298 -5.227 -2.554 1.00 0.75 H new ATOM 0 HE1 MET A 14 -11.032 -7.651 -1.389 1.00 0.77 H new ATOM 0 HE2 MET A 14 -11.175 -6.023 -2.095 1.00 0.77 H new ATOM 0 HE3 MET A 14 -9.942 -7.152 -2.705 1.00 0.77 H new ATOM 221 N GLY A 15 -5.866 -4.661 1.872 1.00 0.34 N ATOM 222 CA GLY A 15 -4.533 -4.797 2.408 1.00 0.45 C ATOM 223 C GLY A 15 -4.524 -5.690 3.617 1.00 0.62 C ATOM 224 O GLY A 15 -4.771 -6.891 3.526 1.00 1.55 O ATOM 0 H GLY A 15 -6.474 -5.462 2.043 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.871 -5.206 1.645 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.143 -3.815 2.675 1.00 0.45 H new ATOM 228 N HIS A 16 -4.282 -5.080 4.745 1.00 0.51 N ATOM 229 CA HIS A 16 -4.240 -5.769 6.021 1.00 0.45 C ATOM 230 C HIS A 16 -4.511 -4.777 7.147 1.00 0.49 C ATOM 231 O HIS A 16 -4.022 -3.645 7.107 1.00 0.64 O ATOM 232 CB HIS A 16 -2.888 -6.463 6.221 1.00 0.43 C ATOM 233 CG HIS A 16 -2.752 -7.137 7.554 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.304 -8.370 7.792 1.00 0.62 N ATOM 235 CD2 HIS A 16 -2.150 -6.699 8.683 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.032 -8.653 9.052 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.335 -7.668 9.636 1.00 0.59 N ATOM 0 H HIS A 16 -4.105 -4.078 4.813 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.012 -6.538 6.033 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.748 -7.203 5.433 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.091 -5.727 6.112 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.624 -5.764 8.810 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -3.333 -9.563 9.550 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -2.006 -7.644 10.601 1.00 0.59 H new ATOM 245 N VAL A 17 -5.315 -5.184 8.115 1.00 0.53 N ATOM 246 CA VAL A 17 -5.813 -4.278 9.146 1.00 0.67 C ATOM 247 C VAL A 17 -4.702 -3.455 9.823 1.00 0.64 C ATOM 248 O VAL A 17 -4.819 -2.229 9.924 1.00 0.78 O ATOM 249 CB VAL A 17 -6.642 -5.040 10.213 1.00 0.87 C ATOM 250 CG1 VAL A 17 -5.844 -6.174 10.834 1.00 1.55 C ATOM 251 CG2 VAL A 17 -7.149 -4.088 11.285 1.00 1.62 C ATOM 0 H VAL A 17 -5.642 -6.145 8.212 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.461 -3.570 8.629 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.502 -5.479 9.708 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -6.456 -6.686 11.577 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -5.550 -6.880 10.057 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -4.952 -5.771 11.314 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -7.727 -4.645 12.022 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -6.302 -3.608 11.776 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -7.781 -3.328 10.827 1.00 1.62 H new ATOM 261 N ASP A 18 -3.613 -4.111 10.228 1.00 0.57 N ATOM 262 CA ASP A 18 -2.590 -3.467 11.060 1.00 0.61 C ATOM 263 C ASP A 18 -1.869 -2.335 10.329 1.00 0.56 C ATOM 264 O ASP A 18 -1.404 -1.385 10.963 1.00 0.69 O ATOM 265 CB ASP A 18 -1.570 -4.488 11.569 1.00 0.69 C ATOM 266 CG ASP A 18 -0.647 -3.900 12.624 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.145 -3.525 13.709 1.00 1.17 O ATOM 268 OD2 ASP A 18 0.576 -3.816 12.383 1.00 1.78 O ATOM 0 H ASP A 18 -3.415 -5.084 9.995 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.116 -3.031 11.910 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.095 -5.347 11.986 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -0.976 -4.854 10.732 1.00 0.69 H new ATOM 273 N HIS A 19 -1.797 -2.419 9.003 1.00 0.46 N ATOM 274 CA HIS A 19 -1.145 -1.382 8.210 1.00 0.48 C ATOM 275 C HIS A 19 -1.880 -0.054 8.353 1.00 0.58 C ATOM 276 O HIS A 19 -1.316 1.020 8.118 1.00 0.65 O ATOM 277 CB HIS A 19 -1.085 -1.795 6.739 1.00 0.46 C ATOM 278 CG HIS A 19 -0.145 -2.928 6.470 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.508 -3.989 5.681 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.129 -3.103 6.891 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.546 -4.784 5.638 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.565 -4.290 6.358 1.00 0.48 N ATOM 0 H HIS A 19 -2.180 -3.191 8.458 1.00 0.46 H new ATOM 0 HA HIS A 19 -0.128 -1.257 8.581 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -2.085 -2.078 6.409 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.784 -0.935 6.141 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.694 -2.436 7.525 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.583 -5.715 5.092 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.484 -4.714 6.484 1.00 0.48 H new ATOM 290 N GLY A 20 -3.141 -0.136 8.754 1.00 0.76 N ATOM 291 CA GLY A 20 -3.921 1.055 8.992 1.00 0.90 C ATOM 292 C GLY A 20 -4.917 1.323 7.888 1.00 0.81 C ATOM 293 O GLY A 20 -5.096 2.463 7.477 1.00 0.93 O ATOM 0 H GLY A 20 -3.637 -1.012 8.919 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.451 0.955 9.939 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -3.252 1.910 9.089 1.00 0.90 H new ATOM 297 N LYS A 21 -5.588 0.278 7.416 1.00 0.79 N ATOM 298 CA LYS A 21 -6.564 0.442 6.347 1.00 0.87 C ATOM 299 C LYS A 21 -7.894 0.914 6.917 1.00 0.89 C ATOM 300 O LYS A 21 -8.718 1.498 6.211 1.00 0.93 O ATOM 301 CB LYS A 21 -6.745 -0.854 5.562 1.00 1.09 C ATOM 302 CG LYS A 21 -7.199 -2.038 6.403 1.00 1.20 C ATOM 303 CD LYS A 21 -7.231 -3.322 5.587 1.00 1.39 C ATOM 304 CE LYS A 21 -8.297 -3.292 4.502 1.00 1.73 C ATOM 305 NZ LYS A 21 -9.672 -3.287 5.068 1.00 2.11 N ATOM 0 H LYS A 21 -5.476 -0.679 7.752 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.190 1.199 5.658 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.474 -0.686 4.769 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -5.801 -1.107 5.079 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.527 -2.162 7.252 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.191 -1.839 6.809 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -6.255 -3.483 5.129 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.415 -4.167 6.251 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.158 -2.406 3.882 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -8.176 -4.159 3.852 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -10.362 -3.437 4.305 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -9.761 -4.049 5.770 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -9.856 -2.371 5.526 1.00 2.11 H new ATOM 319 N THR A 22 -8.093 0.660 8.199 1.00 0.92 N ATOM 320 CA THR A 22 -9.257 1.164 8.900 1.00 1.00 C ATOM 321 C THR A 22 -8.981 2.601 9.304 1.00 0.99 C ATOM 322 O THR A 22 -9.843 3.475 9.205 1.00 1.03 O ATOM 323 CB THR A 22 -9.551 0.318 10.150 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.168 -1.042 9.901 1.00 1.80 O ATOM 325 CG2 THR A 22 -11.028 0.375 10.512 1.00 1.65 C ATOM 0 H THR A 22 -7.460 0.106 8.776 1.00 0.92 H new ATOM 0 HA THR A 22 -10.128 1.111 8.247 1.00 1.00 H new ATOM 0 HB THR A 22 -8.979 0.720 10.986 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.352 -1.585 10.696 1.00 1.80 H new ATOM 0 HG21 THR A 22 -11.209 -0.232 11.399 1.00 1.65 H new ATOM 0 HG22 THR A 22 -11.314 1.407 10.714 1.00 1.65 H new ATOM 0 HG23 THR A 22 -11.621 -0.010 9.682 1.00 1.65 H new ATOM 333 N THR A 23 -7.743 2.828 9.732 1.00 0.99 N ATOM 334 CA THR A 23 -7.255 4.155 10.038 1.00 1.02 C ATOM 335 C THR A 23 -7.270 5.030 8.791 1.00 0.96 C ATOM 336 O THR A 23 -7.501 6.231 8.870 1.00 0.96 O ATOM 337 CB THR A 23 -5.821 4.077 10.587 1.00 1.12 C ATOM 338 OG1 THR A 23 -5.754 3.067 11.601 1.00 1.77 O ATOM 339 CG2 THR A 23 -5.378 5.414 11.159 1.00 1.41 C ATOM 0 H THR A 23 -7.053 2.090 9.875 1.00 0.99 H new ATOM 0 HA THR A 23 -7.910 4.595 10.790 1.00 1.02 H new ATOM 0 HB THR A 23 -5.150 3.823 9.767 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.840 3.015 11.951 1.00 1.77 H new ATOM 0 HG21 THR A 23 -4.360 5.328 11.540 1.00 1.41 H new ATOM 0 HG22 THR A 23 -5.410 6.173 10.377 1.00 1.41 H new ATOM 0 HG23 THR A 23 -6.046 5.702 11.971 1.00 1.41 H new ATOM 347 N LEU A 24 -7.022 4.411 7.641 1.00 0.96 N ATOM 348 CA LEU A 24 -7.054 5.118 6.368 1.00 0.96 C ATOM 349 C LEU A 24 -8.414 5.772 6.154 1.00 0.89 C ATOM 350 O LEU A 24 -8.501 6.981 5.969 1.00 0.91 O ATOM 351 CB LEU A 24 -6.748 4.158 5.213 1.00 1.06 C ATOM 352 CG LEU A 24 -6.715 4.799 3.822 1.00 0.88 C ATOM 353 CD1 LEU A 24 -5.598 5.826 3.728 1.00 1.78 C ATOM 354 CD2 LEU A 24 -6.556 3.732 2.750 1.00 1.57 C ATOM 0 H LEU A 24 -6.796 3.419 7.566 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.290 5.895 6.391 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.784 3.685 5.400 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.497 3.366 5.212 1.00 1.06 H new ATOM 0 HG LEU A 24 -7.662 5.314 3.658 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -5.593 6.268 2.732 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -5.758 6.607 4.471 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -4.640 5.340 3.914 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -6.534 4.204 1.768 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.625 3.189 2.912 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -7.395 3.038 2.801 1.00 1.57 H new ATOM 366 N LEU A 25 -9.472 4.970 6.209 1.00 0.88 N ATOM 367 CA LEU A 25 -10.831 5.467 6.006 1.00 0.91 C ATOM 368 C LEU A 25 -11.196 6.458 7.112 1.00 0.89 C ATOM 369 O LEU A 25 -11.874 7.452 6.873 1.00 0.92 O ATOM 370 CB LEU A 25 -11.813 4.287 5.998 1.00 1.02 C ATOM 371 CG LEU A 25 -13.035 4.440 5.080 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.708 3.096 4.869 1.00 1.76 C ATOM 373 CD2 LEU A 25 -14.035 5.431 5.657 1.00 1.96 C ATOM 0 H LEU A 25 -9.415 3.968 6.393 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.889 5.982 5.047 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.270 3.389 5.702 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -12.166 4.125 7.017 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.686 4.822 4.121 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.572 3.220 4.216 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.003 2.404 4.409 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -14.033 2.697 5.830 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.889 5.519 4.986 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -14.374 5.080 6.632 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.559 6.405 5.768 1.00 1.96 H new ATOM 385 N ASP A 26 -10.733 6.185 8.321 1.00 0.91 N ATOM 386 CA ASP A 26 -10.973 7.073 9.457 1.00 0.96 C ATOM 387 C ASP A 26 -10.306 8.434 9.258 1.00 0.92 C ATOM 388 O ASP A 26 -10.960 9.479 9.333 1.00 0.95 O ATOM 389 CB ASP A 26 -10.479 6.430 10.742 1.00 1.05 C ATOM 390 CG ASP A 26 -10.455 7.392 11.913 1.00 1.21 C ATOM 391 OD1 ASP A 26 -11.540 7.724 12.440 1.00 1.35 O ATOM 392 OD2 ASP A 26 -9.354 7.821 12.313 1.00 1.38 O ATOM 0 H ASP A 26 -10.186 5.354 8.546 1.00 0.91 H new ATOM 0 HA ASP A 26 -12.048 7.236 9.529 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -11.119 5.583 10.988 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -9.476 6.035 10.582 1.00 1.05 H new ATOM 397 N ALA A 27 -9.009 8.416 8.982 1.00 0.89 N ATOM 398 CA ALA A 27 -8.236 9.640 8.797 1.00 0.89 C ATOM 399 C ALA A 27 -8.660 10.372 7.535 1.00 0.85 C ATOM 400 O ALA A 27 -8.616 11.602 7.472 1.00 0.90 O ATOM 401 CB ALA A 27 -6.750 9.320 8.735 1.00 0.91 C ATOM 0 H ALA A 27 -8.465 7.559 8.880 1.00 0.89 H new ATOM 0 HA ALA A 27 -8.429 10.290 9.650 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -6.185 10.242 8.597 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -6.442 8.841 9.664 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.557 8.647 7.899 1.00 0.91 H new ATOM 407 N ILE A 28 -9.071 9.607 6.534 1.00 0.82 N ATOM 408 CA ILE A 28 -9.455 10.157 5.245 1.00 0.83 C ATOM 409 C ILE A 28 -10.743 10.979 5.376 1.00 0.88 C ATOM 410 O ILE A 28 -10.899 11.999 4.717 1.00 0.94 O ATOM 411 CB ILE A 28 -9.609 9.024 4.198 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.191 9.490 2.802 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.030 8.490 4.166 1.00 1.56 C ATOM 414 CD1 ILE A 28 -8.923 8.340 1.844 1.00 0.95 C ATOM 0 H ILE A 28 -9.147 8.592 6.593 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.667 10.826 4.898 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.944 8.216 4.503 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -9.974 10.125 2.388 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.294 10.103 2.884 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.104 7.697 3.422 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.292 8.093 5.147 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.716 9.296 3.907 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -8.631 8.737 0.872 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.119 7.718 2.238 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.826 7.740 1.734 1.00 0.95 H new ATOM 426 N ARG A 29 -11.636 10.560 6.277 1.00 0.93 N ATOM 427 CA ARG A 29 -12.871 11.301 6.524 1.00 1.04 C ATOM 428 C ARG A 29 -12.570 12.568 7.303 1.00 1.08 C ATOM 429 O ARG A 29 -13.294 13.558 7.222 1.00 1.17 O ATOM 430 CB ARG A 29 -13.868 10.468 7.324 1.00 1.16 C ATOM 431 CG ARG A 29 -14.239 9.154 6.677 1.00 1.33 C ATOM 432 CD ARG A 29 -15.174 8.354 7.568 1.00 1.58 C ATOM 433 NE ARG A 29 -14.710 8.328 8.960 1.00 2.13 N ATOM 434 CZ ARG A 29 -14.621 7.229 9.708 1.00 2.85 C ATOM 435 NH1 ARG A 29 -14.939 6.042 9.202 1.00 3.29 N ATOM 436 NH2 ARG A 29 -14.206 7.322 10.964 1.00 3.56 N ATOM 0 H ARG A 29 -11.526 9.718 6.842 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.306 11.544 5.555 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -13.449 10.269 8.310 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -14.775 11.054 7.476 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.718 9.340 5.716 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.337 8.575 6.477 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -16.174 8.786 7.526 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.251 7.334 7.191 1.00 1.58 H new ATOM 0 HE ARG A 29 -14.436 9.214 9.385 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -15.254 5.968 8.235 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -14.868 5.205 9.781 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -13.957 8.232 11.353 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -14.136 6.484 11.541 1.00 3.56 H new ATOM 450 N HIS A 30 -11.502 12.519 8.087 1.00 1.05 N ATOM 451 CA HIS A 30 -11.052 13.683 8.829 1.00 1.13 C ATOM 452 C HIS A 30 -10.164 14.551 7.953 1.00 1.15 C ATOM 453 O HIS A 30 -9.584 15.540 8.403 1.00 1.32 O ATOM 454 CB HIS A 30 -10.345 13.273 10.109 1.00 1.23 C ATOM 455 CG HIS A 30 -11.246 13.294 11.292 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.856 12.974 12.571 1.00 2.44 N ATOM 457 CD2 HIS A 30 -12.535 13.635 11.367 1.00 2.01 C ATOM 458 CE1 HIS A 30 -11.884 13.127 13.387 1.00 2.88 C ATOM 459 NE2 HIS A 30 -12.924 13.531 12.679 1.00 2.60 N ATOM 0 H HIS A 30 -10.932 11.684 8.224 1.00 1.05 H new ATOM 0 HA HIS A 30 -11.923 14.272 9.117 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.934 12.271 9.988 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -9.504 13.943 10.286 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -13.161 13.939 10.541 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -11.876 12.951 14.453 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -13.855 13.731 13.044 1.00 2.60 H new ATOM 468 N SER A 31 -10.066 14.153 6.699 1.00 1.07 N ATOM 469 CA SER A 31 -9.470 14.969 5.662 1.00 1.19 C ATOM 470 C SER A 31 -10.575 15.285 4.665 1.00 1.32 C ATOM 471 O SER A 31 -10.368 15.325 3.453 1.00 1.76 O ATOM 472 CB SER A 31 -8.326 14.210 4.987 1.00 1.15 C ATOM 473 OG SER A 31 -7.507 13.572 5.950 1.00 1.50 O ATOM 0 H SER A 31 -10.401 13.247 6.370 1.00 1.07 H new ATOM 0 HA SER A 31 -9.050 15.887 6.072 1.00 1.19 H new ATOM 0 HB2 SER A 31 -8.732 13.468 4.300 1.00 1.15 H new ATOM 0 HB3 SER A 31 -7.726 14.900 4.393 1.00 1.15 H new ATOM 0 HG SER A 31 -7.993 12.818 6.345 1.00 1.50 H new ATOM 706 N TYR A 48 -18.042 6.706 2.003 1.00 1.05 N ATOM 707 CA TYR A 48 -17.982 8.114 1.665 1.00 1.04 C ATOM 708 C TYR A 48 -17.657 8.275 0.191 1.00 0.91 C ATOM 709 O TYR A 48 -17.080 7.378 -0.433 1.00 0.86 O ATOM 710 CB TYR A 48 -16.954 8.849 2.522 1.00 1.16 C ATOM 711 CG TYR A 48 -15.540 8.457 2.229 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.039 7.249 2.675 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.717 9.288 1.491 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.746 6.875 2.398 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.420 8.920 1.207 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.943 7.710 1.661 1.00 1.96 C ATOM 717 OH TYR A 48 -11.660 7.331 1.376 1.00 2.54 O ATOM 0 HA TYR A 48 -18.957 8.557 1.868 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -17.064 9.922 2.367 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.165 8.656 3.574 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.673 6.589 3.249 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -15.095 10.235 1.134 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.364 5.931 2.757 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.782 9.575 0.633 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.647 6.827 0.536 1.00 2.54 H new ATOM 727 N GLN A 49 -18.034 9.410 -0.368 1.00 1.01 N ATOM 728 CA GLN A 49 -17.754 9.695 -1.760 1.00 1.00 C ATOM 729 C GLN A 49 -17.034 11.025 -1.863 1.00 1.11 C ATOM 730 O GLN A 49 -17.562 12.066 -1.472 1.00 1.34 O ATOM 731 CB GLN A 49 -19.047 9.697 -2.570 1.00 1.16 C ATOM 732 CG GLN A 49 -19.864 8.430 -2.367 1.00 1.18 C ATOM 733 CD GLN A 49 -21.070 8.350 -3.278 1.00 1.42 C ATOM 734 OE1 GLN A 49 -20.998 7.799 -4.377 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.182 8.910 -2.832 1.00 1.96 N ATOM 0 H GLN A 49 -18.536 10.150 0.123 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.110 8.919 -2.173 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.647 10.562 -2.287 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.809 9.806 -3.628 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.227 7.562 -2.540 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.195 8.381 -1.330 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -22.196 9.356 -1.915 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -23.025 8.896 -3.405 1.00 1.96 H new ATOM 744 N VAL A 50 -15.822 10.978 -2.372 1.00 1.04 N ATOM 745 CA VAL A 50 -14.944 12.129 -2.365 1.00 1.18 C ATOM 746 C VAL A 50 -15.060 12.949 -3.630 1.00 1.28 C ATOM 747 O VAL A 50 -14.912 12.436 -4.743 1.00 1.38 O ATOM 748 CB VAL A 50 -13.478 11.713 -2.188 1.00 1.24 C ATOM 749 CG1 VAL A 50 -13.135 11.592 -0.718 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.202 10.415 -2.918 1.00 1.59 C ATOM 0 H VAL A 50 -15.418 10.145 -2.801 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.261 12.739 -1.519 1.00 1.18 H new ATOM 0 HB VAL A 50 -12.843 12.486 -2.621 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.091 11.296 -0.611 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -13.292 12.553 -0.227 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -13.774 10.840 -0.256 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.157 10.136 -2.781 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.843 9.629 -2.518 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.407 10.545 -3.981 1.00 1.59 H new ATOM 860 N ILE A 57 -14.965 9.588 -7.569 1.00 1.14 N ATOM 861 CA ILE A 57 -14.411 8.479 -6.807 1.00 0.88 C ATOM 862 C ILE A 57 -15.287 8.164 -5.598 1.00 0.85 C ATOM 863 O ILE A 57 -15.608 9.046 -4.799 1.00 0.97 O ATOM 864 CB ILE A 57 -12.978 8.767 -6.306 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.116 9.376 -7.419 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.346 7.477 -5.795 1.00 0.87 C ATOM 867 CD1 ILE A 57 -10.742 9.822 -6.951 1.00 0.86 C ATOM 0 HA ILE A 57 -14.380 7.628 -7.487 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.034 9.490 -5.492 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -11.998 8.643 -8.217 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -12.640 10.231 -7.846 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.335 7.682 -5.442 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -12.943 7.079 -4.974 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.307 6.746 -6.603 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.190 10.242 -7.792 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -10.850 10.578 -6.174 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.198 8.966 -6.551 1.00 0.86 H new ATOM 879 N THR A 58 -15.672 6.908 -5.480 1.00 0.80 N ATOM 880 CA THR A 58 -16.412 6.429 -4.327 1.00 0.80 C ATOM 881 C THR A 58 -15.612 5.330 -3.641 1.00 0.73 C ATOM 882 O THR A 58 -15.149 4.403 -4.309 1.00 0.85 O ATOM 883 CB THR A 58 -17.786 5.867 -4.747 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.506 6.841 -5.515 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.605 5.467 -3.532 1.00 1.28 C ATOM 0 H THR A 58 -15.481 6.191 -6.180 1.00 0.80 H new ATOM 0 HA THR A 58 -16.572 7.265 -3.646 1.00 0.80 H new ATOM 0 HB THR A 58 -17.615 4.980 -5.357 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.318 7.102 -5.033 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.569 5.074 -3.856 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.071 4.701 -2.970 1.00 1.28 H new ATOM 0 HG23 THR A 58 -18.764 6.339 -2.897 1.00 1.28 H new ATOM 893 N PHE A 59 -15.443 5.418 -2.324 1.00 0.65 N ATOM 894 CA PHE A 59 -14.638 4.427 -1.616 1.00 0.64 C ATOM 895 C PHE A 59 -15.563 3.471 -0.879 1.00 0.73 C ATOM 896 O PHE A 59 -15.862 3.692 0.285 1.00 0.83 O ATOM 897 CB PHE A 59 -13.692 5.099 -0.603 1.00 0.64 C ATOM 898 CG PHE A 59 -12.538 5.875 -1.200 1.00 0.60 C ATOM 899 CD1 PHE A 59 -12.772 7.026 -1.949 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.230 5.449 -1.042 1.00 0.75 C ATOM 901 CE1 PHE A 59 -11.728 7.733 -2.512 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.182 6.155 -1.607 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.399 7.310 -2.262 1.00 0.70 C ATOM 0 H PHE A 59 -15.843 6.149 -1.736 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.033 3.888 -2.345 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.277 5.775 0.020 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.287 4.330 0.055 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -13.786 7.371 -2.092 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.025 4.555 -0.471 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -11.921 8.595 -3.133 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.175 5.773 -1.521 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.566 7.911 -2.595 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.049 0.395 -8.444 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.670 0.712 -8.138 1.00 0.55 C ATOM 1223 C ILE A 81 -9.311 0.173 -6.761 1.00 0.47 C ATOM 1224 O ILE A 81 -9.770 0.683 -5.740 1.00 0.63 O ATOM 1225 CB ILE A 81 -9.424 2.231 -8.183 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -9.673 2.762 -9.593 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.006 2.552 -7.754 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -8.624 2.302 -10.581 1.00 0.73 C ATOM 0 HA ILE A 81 -9.038 0.243 -8.892 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.116 2.714 -7.493 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -10.655 2.434 -9.933 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -9.691 3.852 -9.569 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -7.850 3.630 -7.792 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -7.845 2.197 -6.736 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -7.302 2.060 -8.425 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -8.850 2.708 -11.567 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -7.643 2.653 -10.260 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.622 1.213 -10.629 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.499 -0.860 -6.739 1.00 0.32 N ATOM 1241 CA VAL A 82 -8.142 -1.516 -5.505 1.00 0.30 C ATOM 1242 C VAL A 82 -7.034 -0.768 -4.787 1.00 0.25 C ATOM 1243 O VAL A 82 -5.891 -0.777 -5.222 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.692 -2.950 -5.791 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -7.134 -3.598 -4.544 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.855 -3.755 -6.340 1.00 1.19 C ATOM 0 H VAL A 82 -8.071 -1.266 -7.571 1.00 0.32 H new ATOM 0 HA VAL A 82 -9.021 -1.528 -4.861 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.898 -2.925 -6.537 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.821 -4.617 -4.772 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.277 -3.026 -4.189 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.902 -3.619 -3.770 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.528 -4.775 -6.542 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.664 -3.771 -5.609 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -9.210 -3.298 -7.264 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.374 -0.115 -3.691 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.382 0.593 -2.906 1.00 0.25 C ATOM 1258 C ILE A 83 -5.736 -0.376 -1.940 1.00 0.27 C ATOM 1259 O ILE A 83 -6.317 -0.726 -0.916 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.985 1.745 -2.062 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -8.406 2.100 -2.526 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -6.075 2.966 -2.094 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.477 3.014 -3.727 1.00 1.32 C ATOM 0 H ILE A 83 -8.325 -0.061 -3.326 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.670 1.018 -3.613 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.058 1.401 -1.030 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.937 1.177 -2.759 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.935 2.572 -1.698 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.515 3.764 -1.496 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.099 2.703 -1.686 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.958 3.306 -3.123 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.520 3.206 -3.977 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -7.980 3.956 -3.497 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -7.982 2.540 -4.575 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.544 -0.799 -2.267 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.850 -1.804 -1.471 1.00 0.27 C ATOM 1277 C LEU A 84 -2.924 -1.122 -0.461 1.00 0.27 C ATOM 1278 O LEU A 84 -1.930 -0.506 -0.829 1.00 0.31 O ATOM 1279 CB LEU A 84 -3.085 -2.758 -2.405 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.355 -3.934 -1.760 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -1.014 -3.486 -1.215 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -3.208 -4.560 -0.674 1.00 1.33 C ATOM 0 H LEU A 84 -4.023 -0.469 -3.079 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.569 -2.396 -0.905 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.792 -3.158 -3.132 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.354 -2.171 -2.961 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.174 -4.694 -2.520 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.505 -4.335 -0.758 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.404 -3.092 -2.028 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -1.167 -2.709 -0.466 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.671 -5.396 -0.226 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.425 -3.816 0.092 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -4.142 -4.919 -1.106 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.265 -1.238 0.812 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.521 -0.572 1.872 1.00 0.28 C ATOM 1296 C VAL A 85 -1.353 -1.430 2.361 1.00 0.27 C ATOM 1297 O VAL A 85 -1.501 -2.632 2.595 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.432 -0.230 3.070 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.672 0.576 4.117 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.669 0.525 2.603 1.00 1.20 C ATOM 0 H VAL A 85 -4.057 -1.791 1.139 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.130 0.352 1.445 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.754 -1.164 3.531 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.335 0.805 4.951 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -1.823 -0.004 4.477 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.314 1.505 3.672 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.299 0.757 3.462 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.367 1.451 2.113 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.228 -0.092 1.899 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.202 -0.789 2.498 1.00 0.25 N ATOM 1311 CA VAL A 86 0.995 -1.403 3.060 1.00 0.27 C ATOM 1312 C VAL A 86 1.625 -0.424 4.041 1.00 0.24 C ATOM 1313 O VAL A 86 1.000 0.571 4.408 1.00 0.26 O ATOM 1314 CB VAL A 86 2.035 -1.769 1.974 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.531 -2.899 1.095 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.394 -0.553 1.133 1.00 0.95 C ATOM 0 H VAL A 86 -0.070 0.183 2.219 1.00 0.25 H new ATOM 0 HA VAL A 86 0.699 -2.328 3.555 1.00 0.27 H new ATOM 0 HB VAL A 86 2.938 -2.111 2.480 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.281 -3.136 0.341 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.342 -3.780 1.708 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.607 -2.594 0.604 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.126 -0.837 0.377 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.498 -0.171 0.644 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.816 0.221 1.774 1.00 0.95 H new ATOM 1326 N ALA A 87 2.851 -0.680 4.462 1.00 0.28 N ATOM 1327 CA ALA A 87 3.521 0.236 5.369 1.00 0.32 C ATOM 1328 C ALA A 87 4.990 0.402 5.016 1.00 0.46 C ATOM 1329 O ALA A 87 5.639 -0.555 4.583 1.00 0.75 O ATOM 1330 CB ALA A 87 3.362 -0.223 6.806 1.00 0.42 C ATOM 0 H ALA A 87 3.396 -1.500 4.196 1.00 0.28 H new ATOM 0 HA ALA A 87 3.047 1.212 5.262 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.871 0.476 7.470 1.00 0.42 H new ATOM 0 HB2 ALA A 87 2.303 -0.260 7.061 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.798 -1.215 6.921 1.00 0.42 H new ATOM 1336 N ALA A 88 5.477 1.634 5.191 1.00 0.37 N ATOM 1337 CA ALA A 88 6.866 2.027 4.901 1.00 0.59 C ATOM 1338 C ALA A 88 7.871 0.915 5.183 1.00 0.53 C ATOM 1339 O ALA A 88 8.630 0.516 4.298 1.00 1.14 O ATOM 1340 CB ALA A 88 7.227 3.250 5.728 1.00 1.18 C ATOM 0 H ALA A 88 4.909 2.404 5.545 1.00 0.37 H new ATOM 0 HA ALA A 88 6.920 2.247 3.835 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.255 3.543 5.515 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.556 4.071 5.475 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.129 3.014 6.788 1.00 1.18 H new ATOM 1346 N ASP A 89 7.855 0.414 6.407 1.00 0.56 N ATOM 1347 CA ASP A 89 8.863 -0.530 6.862 1.00 0.93 C ATOM 1348 C ASP A 89 8.291 -1.938 7.029 1.00 0.85 C ATOM 1349 O ASP A 89 8.927 -2.798 7.641 1.00 1.24 O ATOM 1350 CB ASP A 89 9.455 -0.055 8.194 1.00 1.44 C ATOM 1351 CG ASP A 89 8.427 -0.002 9.311 1.00 1.68 C ATOM 1352 OD1 ASP A 89 7.263 0.361 9.048 1.00 1.90 O ATOM 1353 OD2 ASP A 89 8.783 -0.302 10.469 1.00 2.01 O ATOM 0 H ASP A 89 7.151 0.647 7.107 1.00 0.56 H new ATOM 0 HA ASP A 89 9.642 -0.574 6.101 1.00 0.93 H new ATOM 0 HB2 ASP A 89 10.266 -0.723 8.484 1.00 1.44 H new ATOM 0 HB3 ASP A 89 9.890 0.935 8.060 1.00 1.44 H new ATOM 1358 N ASP A 90 7.098 -2.183 6.491 1.00 0.48 N ATOM 1359 CA ASP A 90 6.475 -3.500 6.633 1.00 0.46 C ATOM 1360 C ASP A 90 6.432 -4.235 5.306 1.00 0.45 C ATOM 1361 O ASP A 90 6.724 -5.428 5.232 1.00 0.69 O ATOM 1362 CB ASP A 90 5.054 -3.396 7.187 1.00 0.52 C ATOM 1363 CG ASP A 90 4.721 -4.553 8.105 1.00 0.74 C ATOM 1364 OD1 ASP A 90 5.159 -4.538 9.278 1.00 0.93 O ATOM 1365 OD2 ASP A 90 4.024 -5.484 7.660 1.00 1.09 O ATOM 0 H ASP A 90 6.551 -1.503 5.963 1.00 0.48 H new ATOM 0 HA ASP A 90 7.091 -4.059 7.338 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.944 -2.458 7.731 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.343 -3.371 6.361 1.00 0.52 H new ATOM 1370 N GLY A 91 6.077 -3.510 4.260 1.00 0.36 N ATOM 1371 CA GLY A 91 5.912 -4.122 2.960 1.00 0.36 C ATOM 1372 C GLY A 91 4.597 -4.862 2.846 1.00 0.35 C ATOM 1373 O GLY A 91 3.568 -4.396 3.335 1.00 0.52 O ATOM 0 H GLY A 91 5.900 -2.506 4.287 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.964 -3.354 2.188 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.734 -4.814 2.778 1.00 0.36 H new ATOM 1377 N VAL A 92 4.642 -6.016 2.209 1.00 0.38 N ATOM 1378 CA VAL A 92 3.467 -6.825 1.970 1.00 0.37 C ATOM 1379 C VAL A 92 3.324 -7.924 3.026 1.00 0.36 C ATOM 1380 O VAL A 92 4.168 -8.816 3.128 1.00 0.47 O ATOM 1381 CB VAL A 92 3.580 -7.460 0.575 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.546 -8.542 0.386 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.448 -6.399 -0.504 1.00 1.06 C ATOM 0 H VAL A 92 5.503 -6.420 1.841 1.00 0.38 H new ATOM 0 HA VAL A 92 2.584 -6.188 2.029 1.00 0.37 H new ATOM 0 HB VAL A 92 4.565 -7.919 0.491 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.649 -8.974 -0.609 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.692 -9.320 1.136 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.549 -8.115 0.495 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.530 -6.866 -1.485 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.478 -5.909 -0.416 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.240 -5.660 -0.386 1.00 1.06 H new ATOM 1393 N MET A 93 2.268 -7.841 3.826 1.00 0.29 N ATOM 1394 CA MET A 93 1.919 -8.916 4.747 1.00 0.31 C ATOM 1395 C MET A 93 1.096 -9.985 4.024 1.00 0.31 C ATOM 1396 O MET A 93 0.684 -9.772 2.885 1.00 0.31 O ATOM 1397 CB MET A 93 1.145 -8.366 5.942 1.00 0.36 C ATOM 1398 CG MET A 93 2.017 -7.606 6.920 1.00 0.67 C ATOM 1399 SD MET A 93 1.188 -7.309 8.489 1.00 1.32 S ATOM 1400 CE MET A 93 0.838 -8.995 8.973 1.00 0.65 C ATOM 0 H MET A 93 1.638 -7.040 3.856 1.00 0.29 H new ATOM 0 HA MET A 93 2.839 -9.372 5.114 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.354 -7.707 5.582 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.660 -9.191 6.463 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.934 -8.167 7.097 1.00 0.67 H new ATOM 0 HG3 MET A 93 2.307 -6.652 6.479 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.745 -9.050 10.058 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.095 -9.320 8.512 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.650 -9.644 8.645 1.00 0.65 H new ATOM 1410 N PRO A 94 0.861 -11.153 4.658 1.00 0.38 N ATOM 1411 CA PRO A 94 0.059 -12.231 4.064 1.00 0.42 C ATOM 1412 C PRO A 94 -1.235 -11.738 3.420 1.00 0.39 C ATOM 1413 O PRO A 94 -1.517 -12.036 2.256 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.251 -13.125 5.263 1.00 0.52 C ATOM 1415 CG PRO A 94 0.915 -12.954 6.170 1.00 0.61 C ATOM 1416 CD PRO A 94 1.385 -11.535 5.988 1.00 0.46 C ATOM 0 HA PRO A 94 0.592 -12.729 3.254 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.179 -12.827 5.750 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.369 -14.166 4.961 1.00 0.52 H new ATOM 0 HG2 PRO A 94 0.633 -13.141 7.206 1.00 0.61 H new ATOM 0 HG3 PRO A 94 1.707 -13.661 5.923 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.999 -10.883 6.772 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.472 -11.467 6.023 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.004 -10.955 4.166 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.300 -10.506 3.704 1.00 0.43 C ATOM 1426 C GLN A 95 -3.165 -9.450 2.611 1.00 0.36 C ATOM 1427 O GLN A 95 -4.084 -9.254 1.814 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.131 -9.980 4.873 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.272 -10.992 5.996 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.670 -11.032 6.577 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -5.992 -10.306 7.520 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.512 -11.889 6.015 1.00 1.47 N ATOM 0 H GLN A 95 -1.747 -10.620 5.095 1.00 0.40 H new ATOM 0 HA GLN A 95 -3.818 -11.361 3.270 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.668 -9.073 5.263 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.122 -9.703 4.513 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.010 -11.982 5.622 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.561 -10.752 6.787 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.203 -12.471 5.236 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.468 -11.966 6.362 1.00 1.47 H new ATOM 1441 N THR A 96 -2.009 -8.786 2.562 1.00 0.33 N ATOM 1442 CA THR A 96 -1.718 -7.833 1.506 1.00 0.31 C ATOM 1443 C THR A 96 -1.751 -8.530 0.135 1.00 0.29 C ATOM 1444 O THR A 96 -2.091 -7.927 -0.883 1.00 0.34 O ATOM 1445 CB THR A 96 -0.344 -7.182 1.740 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.270 -6.670 3.079 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.095 -6.054 0.757 1.00 0.46 C ATOM 0 H THR A 96 -1.261 -8.896 3.247 1.00 0.33 H new ATOM 0 HA THR A 96 -2.480 -7.054 1.519 1.00 0.31 H new ATOM 0 HB THR A 96 0.420 -7.945 1.591 1.00 0.34 H new ATOM 0 HG1 THR A 96 0.045 -5.742 3.058 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.884 -5.614 0.948 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.125 -6.445 -0.260 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.865 -5.291 0.876 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.435 -9.823 0.131 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.401 -10.611 -1.082 1.00 0.39 C ATOM 1457 C VAL A 97 -2.776 -11.151 -1.441 1.00 0.34 C ATOM 1458 O VAL A 97 -3.195 -11.075 -2.597 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.447 -11.797 -0.912 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.453 -12.672 -2.142 1.00 1.00 C ATOM 1461 CG2 VAL A 97 0.940 -11.301 -0.617 1.00 1.05 C ATOM 0 H VAL A 97 -1.196 -10.347 0.973 1.00 0.33 H new ATOM 0 HA VAL A 97 -1.059 -9.955 -1.882 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.788 -12.402 -0.072 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.232 -13.507 -1.998 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.460 -13.053 -2.312 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.136 -12.088 -3.006 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.612 -12.150 -0.497 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.286 -10.677 -1.441 1.00 1.05 H new ATOM 0 HG23 VAL A 97 0.929 -10.715 0.302 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.469 -11.693 -0.445 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.771 -12.326 -0.657 1.00 0.40 C ATOM 1473 C GLU A 98 -5.763 -11.342 -1.257 1.00 0.34 C ATOM 1474 O GLU A 98 -6.729 -11.730 -1.912 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.329 -12.862 0.663 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.390 -13.809 1.389 1.00 0.72 C ATOM 1477 CD GLU A 98 -5.018 -14.401 2.634 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -4.992 -13.738 3.694 1.00 1.62 O ATOM 1479 OE2 GLU A 98 -5.540 -15.535 2.558 1.00 1.55 O ATOM 0 H GLU A 98 -3.150 -11.708 0.524 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.627 -13.153 -1.352 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.558 -12.021 1.317 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.269 -13.378 0.466 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.097 -14.614 0.715 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.480 -13.275 1.663 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.502 -10.062 -1.049 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.391 -9.023 -1.519 1.00 0.27 C ATOM 1488 C ALA A 99 -6.027 -8.631 -2.937 1.00 0.25 C ATOM 1489 O ALA A 99 -6.881 -8.267 -3.734 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.321 -7.819 -0.595 1.00 0.31 C ATOM 0 H ALA A 99 -4.677 -9.721 -0.555 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.414 -9.400 -1.516 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.994 -7.042 -0.958 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.617 -8.115 0.411 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.301 -7.435 -0.575 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.744 -8.745 -3.243 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.218 -8.378 -4.547 1.00 0.24 C ATOM 1498 C ILE A 100 -4.449 -9.487 -5.570 1.00 0.28 C ATOM 1499 O ILE A 100 -4.958 -9.236 -6.663 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.721 -8.042 -4.415 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.554 -6.539 -4.191 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.908 -8.531 -5.607 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.118 -6.083 -4.086 1.00 0.38 C ATOM 0 H ILE A 100 -4.039 -9.094 -2.594 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.749 -7.498 -4.909 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.326 -8.574 -3.550 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -3.033 -6.006 -5.012 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.080 -6.259 -3.278 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.860 -8.269 -5.464 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.003 -9.613 -5.693 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.279 -8.061 -6.518 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -1.089 -5.005 -3.928 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.637 -6.586 -3.247 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.590 -6.329 -5.007 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.053 -10.702 -5.214 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.366 -11.890 -5.988 1.00 0.38 C ATOM 1517 C ASN A 101 -5.850 -11.938 -6.328 1.00 0.37 C ATOM 1518 O ASN A 101 -6.240 -12.317 -7.430 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.996 -13.127 -5.177 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.626 -14.290 -6.056 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.460 -15.127 -6.402 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.362 -14.340 -6.424 1.00 1.55 N ATOM 0 H ASN A 101 -3.503 -10.889 -4.376 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.796 -11.863 -6.917 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.161 -12.891 -4.518 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.835 -13.407 -4.540 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.035 -15.098 -7.023 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.710 -13.621 -6.110 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.665 -11.538 -5.364 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.106 -11.527 -5.538 1.00 0.38 C ATOM 1531 C HIS A 102 -8.545 -10.332 -6.375 1.00 0.38 C ATOM 1532 O HIS A 102 -9.547 -10.395 -7.087 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.791 -11.480 -4.174 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.243 -11.827 -4.228 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.730 -13.076 -3.913 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.317 -11.084 -4.580 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.038 -13.088 -4.067 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.423 -11.890 -4.472 1.00 0.77 N ATOM 0 H HIS A 102 -6.349 -11.216 -4.449 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.395 -12.438 -6.061 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.285 -12.169 -3.498 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.679 -10.481 -3.754 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.306 -10.049 -4.889 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.686 -13.934 -3.892 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.383 -11.611 -4.671 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.792 -9.244 -6.284 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.182 -8.002 -6.929 1.00 0.38 C ATOM 1549 C ALA A 103 -7.823 -7.991 -8.404 1.00 0.40 C ATOM 1550 O ALA A 103 -8.688 -7.822 -9.264 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.523 -6.822 -6.239 1.00 0.43 C ATOM 0 H ALA A 103 -6.911 -9.198 -5.771 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.266 -7.921 -6.845 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.824 -5.898 -6.732 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.832 -6.793 -5.194 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.439 -6.927 -6.294 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.548 -8.203 -8.700 1.00 0.40 N ATOM 1558 CA LYS A 104 -6.032 -7.984 -10.020 1.00 0.51 C ATOM 1559 C LYS A 104 -6.488 -9.065 -10.996 1.00 0.50 C ATOM 1560 O LYS A 104 -6.432 -8.882 -12.214 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.523 -7.917 -9.878 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.741 -8.784 -10.822 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.327 -8.861 -10.330 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.622 -7.510 -10.433 1.00 1.92 C ATOM 1565 NZ LYS A 104 -1.693 -6.924 -11.803 1.00 2.56 N ATOM 0 H LYS A 104 -5.855 -8.530 -8.027 1.00 0.40 H new ATOM 0 HA LYS A 104 -6.414 -7.056 -10.445 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -4.209 -6.883 -10.019 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -4.260 -8.194 -8.857 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.180 -9.781 -10.874 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.770 -8.370 -11.830 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.320 -9.198 -9.293 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -1.779 -9.603 -10.910 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.071 -6.816 -9.722 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.577 -7.628 -10.147 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -1.199 -6.009 -11.815 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.241 -7.570 -12.481 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -2.688 -6.784 -12.069 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.985 -10.172 -10.461 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.440 -11.273 -11.296 1.00 0.61 C ATOM 1581 C ALA A 105 -8.854 -11.028 -11.809 1.00 0.66 C ATOM 1582 O ALA A 105 -9.407 -11.840 -12.554 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.362 -12.590 -10.541 1.00 0.72 C ATOM 0 H ALA A 105 -7.083 -10.330 -9.458 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.777 -11.333 -12.159 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.707 -13.399 -11.185 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.331 -12.778 -10.243 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.992 -12.538 -9.653 1.00 0.72 H new ATOM 1589 N ALA A 106 -9.426 -9.900 -11.420 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.721 -9.485 -11.918 1.00 0.70 C ATOM 1591 C ALA A 106 -10.518 -8.426 -12.988 1.00 0.72 C ATOM 1592 O ALA A 106 -11.452 -7.721 -13.369 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.590 -8.957 -10.787 1.00 0.75 C ATOM 0 H ALA A 106 -9.006 -9.252 -10.754 1.00 0.62 H new ATOM 0 HA ALA A 106 -11.237 -10.342 -12.351 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -12.558 -8.651 -11.184 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.734 -9.740 -10.043 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -11.101 -8.101 -10.322 1.00 0.75 H new ATOM 1599 N ASN A 107 -9.264 -8.324 -13.443 1.00 0.67 N ATOM 1600 CA ASN A 107 -8.876 -7.409 -14.515 1.00 0.73 C ATOM 1601 C ASN A 107 -8.883 -5.963 -14.051 1.00 0.67 C ATOM 1602 O ASN A 107 -9.086 -5.044 -14.846 1.00 0.80 O ATOM 1603 CB ASN A 107 -9.780 -7.586 -15.719 1.00 0.92 C ATOM 1604 CG ASN A 107 -9.287 -8.660 -16.669 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -8.652 -9.629 -16.252 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -9.579 -8.502 -17.949 1.00 2.06 N ATOM 0 H ASN A 107 -8.490 -8.877 -13.075 1.00 0.67 H new ATOM 0 HA ASN A 107 -7.854 -7.656 -14.804 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -10.784 -7.840 -15.380 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.854 -6.640 -16.254 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -9.276 -9.197 -18.631 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -10.107 -7.685 -18.254 1.00 2.06 H new ATOM 1613 N VAL A 108 -8.655 -5.761 -12.762 1.00 0.55 N ATOM 1614 CA VAL A 108 -8.636 -4.426 -12.205 1.00 0.49 C ATOM 1615 C VAL A 108 -7.218 -4.008 -11.816 1.00 0.40 C ATOM 1616 O VAL A 108 -6.359 -4.851 -11.536 1.00 0.42 O ATOM 1617 CB VAL A 108 -9.553 -4.313 -10.965 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -10.541 -5.467 -10.887 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.737 -4.195 -9.688 1.00 1.08 C ATOM 0 H VAL A 108 -8.481 -6.506 -12.087 1.00 0.55 H new ATOM 0 HA VAL A 108 -9.008 -3.759 -12.982 1.00 0.49 H new ATOM 0 HB VAL A 108 -10.136 -3.398 -11.074 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -11.167 -5.351 -10.002 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -11.169 -5.469 -11.778 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -9.996 -6.409 -10.825 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.409 -4.117 -8.833 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -8.107 -5.078 -9.576 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.109 -3.305 -9.738 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.967 -2.693 -11.832 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.732 -2.095 -11.317 1.00 0.35 C ATOM 1631 C PRO A 109 -5.641 -2.107 -9.792 1.00 0.30 C ATOM 1632 O PRO A 109 -6.644 -2.221 -9.089 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.805 -0.644 -11.776 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.899 -0.585 -12.780 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.854 -1.680 -12.413 1.00 0.48 C ATOM 0 HA PRO A 109 -4.867 -2.653 -11.676 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -6.010 0.021 -10.937 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.858 -0.325 -12.212 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.393 0.386 -12.762 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.511 -0.727 -13.789 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.605 -1.341 -11.700 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -8.389 -2.060 -13.283 1.00 0.48 H new ATOM 1643 N ILE A 110 -4.434 -1.916 -9.289 1.00 0.27 N ATOM 1644 CA ILE A 110 -4.184 -1.951 -7.851 1.00 0.25 C ATOM 1645 C ILE A 110 -3.342 -0.751 -7.423 1.00 0.23 C ATOM 1646 O ILE A 110 -2.530 -0.248 -8.199 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.474 -3.267 -7.445 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.365 -4.472 -7.753 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -3.105 -3.261 -5.968 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -3.722 -5.799 -7.418 1.00 0.96 C ATOM 0 H ILE A 110 -3.605 -1.734 -9.855 1.00 0.27 H new ATOM 0 HA ILE A 110 -5.147 -1.906 -7.343 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.556 -3.343 -8.028 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -5.296 -4.377 -7.195 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.625 -4.460 -8.811 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -2.608 -4.197 -5.713 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -2.434 -2.427 -5.764 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -4.009 -3.154 -5.368 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -4.410 -6.609 -7.662 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -2.805 -5.915 -7.996 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.487 -5.831 -6.354 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.558 -0.273 -6.202 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.785 0.826 -5.654 1.00 0.25 C ATOM 1664 C ILE A 111 -1.965 0.323 -4.506 1.00 0.32 C ATOM 1665 O ILE A 111 -2.194 -0.757 -4.012 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.708 1.931 -5.119 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.711 2.342 -6.163 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.942 3.157 -4.645 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.816 3.118 -5.539 1.00 0.53 C ATOM 0 H ILE A 111 -4.271 -0.637 -5.570 1.00 0.23 H new ATOM 0 HA ILE A 111 -2.154 1.228 -6.447 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.224 1.507 -4.258 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.223 2.944 -6.930 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -5.113 1.458 -6.659 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.644 3.905 -4.278 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.261 2.873 -3.842 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.371 3.572 -5.475 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.534 3.409 -6.305 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -6.314 2.503 -4.789 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -5.410 4.011 -5.064 1.00 0.53 H new ATOM 1681 N VAL A 112 -1.001 1.097 -4.112 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.283 0.861 -2.917 1.00 0.20 C ATOM 1683 C VAL A 112 -0.371 2.076 -2.046 1.00 0.20 C ATOM 1684 O VAL A 112 -0.103 3.193 -2.484 1.00 0.23 O ATOM 1685 CB VAL A 112 1.174 0.607 -3.212 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.701 -0.448 -2.320 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.360 0.188 -4.642 1.00 0.22 C ATOM 0 H VAL A 112 -0.693 1.922 -4.627 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.713 -0.010 -2.423 1.00 0.20 H new ATOM 0 HB VAL A 112 1.721 1.534 -3.039 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.754 -0.621 -2.544 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.598 -0.132 -1.282 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.140 -1.370 -2.476 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.418 0.010 -4.834 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.798 -0.727 -4.829 1.00 0.22 H new ATOM 0 HG23 VAL A 112 0.999 0.977 -5.302 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.737 1.857 -0.824 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.796 2.912 0.132 1.00 0.21 C ATOM 1699 C ALA A 113 0.211 2.611 1.202 1.00 0.21 C ATOM 1700 O ALA A 113 -0.087 1.968 2.203 1.00 0.23 O ATOM 1701 CB ALA A 113 -2.193 3.045 0.714 1.00 0.25 C ATOM 0 H ALA A 113 -1.003 0.941 -0.462 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.565 3.865 -0.343 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -2.209 3.858 1.440 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.902 3.260 -0.086 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.473 2.113 1.206 1.00 0.25 H new ATOM 1707 N ILE A 114 1.417 3.055 0.948 1.00 0.21 N ATOM 1708 CA ILE A 114 2.493 2.927 1.891 1.00 0.24 C ATOM 1709 C ILE A 114 2.248 3.843 3.086 1.00 0.25 C ATOM 1710 O ILE A 114 2.531 5.037 3.025 1.00 0.30 O ATOM 1711 CB ILE A 114 3.833 3.282 1.220 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.029 2.461 -0.060 1.00 0.32 C ATOM 1713 CG2 ILE A 114 4.970 3.035 2.178 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.294 2.805 -0.818 1.00 0.85 C ATOM 0 H ILE A 114 1.678 3.517 0.077 1.00 0.21 H new ATOM 0 HA ILE A 114 2.537 1.895 2.238 1.00 0.24 H new ATOM 0 HB ILE A 114 3.819 4.338 0.951 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.047 1.402 0.198 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.171 2.615 -0.714 1.00 0.32 H new ATOM 0 HG21 ILE A 114 5.914 3.289 1.695 1.00 0.36 H new ATOM 0 HG22 ILE A 114 4.839 3.654 3.066 1.00 0.36 H new ATOM 0 HG23 ILE A 114 4.981 1.984 2.466 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.363 2.184 -1.711 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.270 3.855 -1.108 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.160 2.624 -0.182 1.00 0.85 H new ATOM 1726 N ASN A 115 1.706 3.284 4.162 1.00 0.26 N ATOM 1727 CA ASN A 115 1.366 4.071 5.340 1.00 0.31 C ATOM 1728 C ASN A 115 2.496 3.960 6.354 1.00 0.37 C ATOM 1729 O ASN A 115 3.419 3.167 6.154 1.00 0.39 O ATOM 1730 CB ASN A 115 0.033 3.588 5.937 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.485 4.480 7.057 1.00 0.47 C ATOM 1732 OD1 ASN A 115 -0.212 5.685 7.097 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.242 3.896 7.973 1.00 0.69 N ATOM 0 H ASN A 115 1.493 2.290 4.242 1.00 0.26 H new ATOM 0 HA ASN A 115 1.243 5.118 5.063 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.715 3.539 5.146 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.160 2.575 6.318 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.622 4.443 8.745 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.445 2.899 7.906 1.00 0.69 H new ATOM 1740 N LYS A 116 2.446 4.766 7.419 1.00 0.49 N ATOM 1741 CA LYS A 116 3.514 4.799 8.422 1.00 0.62 C ATOM 1742 C LYS A 116 4.803 5.301 7.769 1.00 0.57 C ATOM 1743 O LYS A 116 5.910 5.128 8.278 1.00 0.67 O ATOM 1744 CB LYS A 116 3.700 3.402 9.029 1.00 0.78 C ATOM 1745 CG LYS A 116 4.646 3.338 10.215 1.00 1.15 C ATOM 1746 CD LYS A 116 4.979 1.897 10.547 1.00 1.50 C ATOM 1747 CE LYS A 116 5.963 1.788 11.694 1.00 2.05 C ATOM 1748 NZ LYS A 116 6.447 0.393 11.852 1.00 2.61 N ATOM 0 H LYS A 116 1.675 5.406 7.609 1.00 0.49 H new ATOM 0 HA LYS A 116 3.249 5.481 9.230 1.00 0.62 H new ATOM 0 HB2 LYS A 116 2.726 3.025 9.340 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.069 2.731 8.253 1.00 0.78 H new ATOM 0 HG2 LYS A 116 5.560 3.887 9.989 1.00 1.15 H new ATOM 0 HG3 LYS A 116 4.190 3.821 11.079 1.00 1.15 H new ATOM 0 HD2 LYS A 116 4.064 1.364 10.804 1.00 1.50 H new ATOM 0 HD3 LYS A 116 5.395 1.409 9.665 1.00 1.50 H new ATOM 0 HE2 LYS A 116 6.809 2.452 11.516 1.00 2.05 H new ATOM 0 HE3 LYS A 116 5.488 2.118 12.618 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 6.275 0.074 12.827 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 5.939 -0.228 11.190 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 7.466 0.354 11.650 1.00 2.61 H new ATOM 1762 N MET A 117 4.622 5.941 6.624 1.00 0.58 N ATOM 1763 CA MET A 117 5.710 6.458 5.827 1.00 0.69 C ATOM 1764 C MET A 117 5.939 7.942 6.170 1.00 0.81 C ATOM 1765 O MET A 117 6.631 8.689 5.484 1.00 1.03 O ATOM 1766 CB MET A 117 5.354 6.212 4.352 1.00 0.85 C ATOM 1767 CG MET A 117 5.920 7.218 3.401 1.00 0.81 C ATOM 1768 SD MET A 117 7.693 6.988 3.071 1.00 1.37 S ATOM 1769 CE MET A 117 7.743 5.370 2.294 1.00 0.65 C ATOM 0 H MET A 117 3.701 6.115 6.222 1.00 0.58 H new ATOM 0 HA MET A 117 6.654 5.955 6.036 1.00 0.69 H new ATOM 0 HB2 MET A 117 5.708 5.221 4.066 1.00 0.85 H new ATOM 0 HB3 MET A 117 4.269 6.204 4.250 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.373 7.164 2.460 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.761 8.218 3.805 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.657 5.276 1.707 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.724 4.597 3.062 1.00 0.65 H new ATOM 0 HE3 MET A 117 6.878 5.253 1.641 1.00 0.65 H new ATOM 1852 N ASN A 123 11.937 2.140 3.131 1.00 0.59 N ATOM 1853 CA ASN A 123 12.519 1.578 1.912 1.00 0.57 C ATOM 1854 C ASN A 123 11.417 1.243 0.904 1.00 0.46 C ATOM 1855 O ASN A 123 11.032 0.081 0.765 1.00 0.52 O ATOM 1856 CB ASN A 123 13.335 0.317 2.227 1.00 0.85 C ATOM 1857 CG ASN A 123 14.202 -0.143 1.065 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.871 0.055 -0.105 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.322 -0.764 1.387 1.00 1.84 N ATOM 0 HA ASN A 123 13.185 2.324 1.480 1.00 0.57 H new ATOM 0 HB2 ASN A 123 13.970 0.510 3.091 1.00 0.85 H new ATOM 0 HB3 ASN A 123 12.655 -0.488 2.505 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.948 -1.099 0.655 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.561 -0.909 2.368 1.00 1.84 H new ATOM 1866 N PRO A 124 10.868 2.268 0.218 1.00 0.41 N ATOM 1867 CA PRO A 124 9.892 2.091 -0.860 1.00 0.47 C ATOM 1868 C PRO A 124 10.267 0.980 -1.839 1.00 0.42 C ATOM 1869 O PRO A 124 9.540 0.011 -1.955 1.00 0.40 O ATOM 1870 CB PRO A 124 9.885 3.453 -1.578 1.00 0.66 C ATOM 1871 CG PRO A 124 10.940 4.275 -0.909 1.00 0.70 C ATOM 1872 CD PRO A 124 11.109 3.691 0.460 1.00 0.46 C ATOM 0 HA PRO A 124 8.922 1.793 -0.463 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.097 3.335 -2.641 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.909 3.931 -1.499 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.876 4.239 -1.467 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.642 5.322 -0.853 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.106 3.873 0.861 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.398 4.109 1.172 1.00 0.46 H new ATOM 1880 N ASP A 125 11.409 1.125 -2.511 1.00 0.45 N ATOM 1881 CA ASP A 125 11.866 0.182 -3.554 1.00 0.45 C ATOM 1882 C ASP A 125 11.741 -1.265 -3.118 1.00 0.38 C ATOM 1883 O ASP A 125 11.207 -2.083 -3.862 1.00 0.33 O ATOM 1884 CB ASP A 125 13.321 0.469 -3.892 1.00 0.56 C ATOM 1885 CG ASP A 125 13.526 1.853 -4.473 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.386 2.848 -3.724 1.00 2.00 O ATOM 1887 OD2 ASP A 125 13.818 1.954 -5.683 1.00 1.28 O ATOM 0 H ASP A 125 12.052 1.901 -2.353 1.00 0.45 H new ATOM 0 HA ASP A 125 11.227 0.326 -4.425 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.926 0.365 -2.991 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.678 -0.276 -4.604 1.00 0.56 H new ATOM 1892 N ARG A 126 12.246 -1.578 -1.929 1.00 0.40 N ATOM 1893 CA ARG A 126 12.093 -2.913 -1.367 1.00 0.40 C ATOM 1894 C ARG A 126 10.645 -3.340 -1.455 1.00 0.34 C ATOM 1895 O ARG A 126 10.303 -4.302 -2.137 1.00 0.32 O ATOM 1896 CB ARG A 126 12.525 -2.929 0.097 1.00 0.47 C ATOM 1897 CG ARG A 126 12.110 -4.189 0.835 1.00 0.58 C ATOM 1898 CD ARG A 126 12.749 -5.424 0.233 1.00 1.25 C ATOM 1899 NE ARG A 126 12.262 -6.649 0.864 1.00 1.38 N ATOM 1900 CZ ARG A 126 12.999 -7.742 1.062 1.00 2.08 C ATOM 1901 NH1 ARG A 126 14.273 -7.773 0.686 1.00 2.99 N ATOM 1902 NH2 ARG A 126 12.456 -8.803 1.645 1.00 2.15 N ATOM 0 H ARG A 126 12.763 -0.927 -1.338 1.00 0.40 H new ATOM 0 HA ARG A 126 12.721 -3.600 -1.934 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.609 -2.827 0.149 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.098 -2.063 0.603 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.393 -4.107 1.884 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.025 -4.288 0.805 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.539 -5.458 -0.836 1.00 1.25 H new ATOM 0 HD3 ARG A 126 13.832 -5.364 0.344 1.00 1.25 H new ATOM 0 HE ARG A 126 11.291 -6.669 1.174 1.00 1.38 H new ATOM 0 HH11 ARG A 126 14.694 -6.957 0.242 1.00 2.99 H new ATOM 0 HH12 ARG A 126 14.830 -8.613 0.841 1.00 2.99 H new ATOM 0 HH21 ARG A 126 11.480 -8.779 1.939 1.00 2.15 H new ATOM 0 HH22 ARG A 126 13.015 -9.642 1.799 1.00 2.15 H new ATOM 1916 N VAL A 127 9.813 -2.581 -0.773 1.00 0.34 N ATOM 1917 CA VAL A 127 8.371 -2.814 -0.746 1.00 0.34 C ATOM 1918 C VAL A 127 7.802 -2.871 -2.165 1.00 0.31 C ATOM 1919 O VAL A 127 7.077 -3.794 -2.520 1.00 0.33 O ATOM 1920 CB VAL A 127 7.647 -1.705 0.048 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.144 -1.938 0.071 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.202 -1.615 1.463 1.00 0.40 C ATOM 0 H VAL A 127 10.112 -1.780 -0.217 1.00 0.34 H new ATOM 0 HA VAL A 127 8.204 -3.772 -0.254 1.00 0.34 H new ATOM 0 HB VAL A 127 7.828 -0.755 -0.455 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.661 -1.142 0.637 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.761 -1.942 -0.949 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.932 -2.898 0.542 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.681 -0.829 2.009 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.057 -2.568 1.972 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.266 -1.384 1.422 1.00 0.40 H new ATOM 1932 N MET A 128 8.178 -1.895 -2.979 1.00 0.28 N ATOM 1933 CA MET A 128 7.687 -1.778 -4.346 1.00 0.26 C ATOM 1934 C MET A 128 8.035 -3.018 -5.163 1.00 0.25 C ATOM 1935 O MET A 128 7.261 -3.446 -6.023 1.00 0.25 O ATOM 1936 CB MET A 128 8.269 -0.530 -5.021 1.00 0.25 C ATOM 1937 CG MET A 128 7.943 0.775 -4.308 1.00 0.27 C ATOM 1938 SD MET A 128 8.694 2.224 -5.081 1.00 0.30 S ATOM 1939 CE MET A 128 7.681 2.419 -6.547 1.00 0.29 C ATOM 0 H MET A 128 8.833 -1.161 -2.711 1.00 0.28 H new ATOM 0 HA MET A 128 6.602 -1.687 -4.303 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.352 -0.636 -5.083 1.00 0.25 H new ATOM 0 HB3 MET A 128 7.895 -0.476 -6.043 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.861 0.906 -4.283 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.280 0.709 -3.274 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.178 3.091 -7.246 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.534 1.448 -7.020 1.00 0.29 H new ATOM 0 HE3 MET A 128 6.714 2.837 -6.268 1.00 0.29 H new ATOM 1949 N GLN A 129 9.190 -3.608 -4.885 1.00 0.25 N ATOM 1950 CA GLN A 129 9.622 -4.796 -5.603 1.00 0.26 C ATOM 1951 C GLN A 129 8.882 -6.034 -5.116 1.00 0.29 C ATOM 1952 O GLN A 129 8.807 -7.035 -5.826 1.00 0.31 O ATOM 1953 CB GLN A 129 11.136 -4.984 -5.490 1.00 0.29 C ATOM 1954 CG GLN A 129 11.921 -4.083 -6.434 1.00 0.31 C ATOM 1955 CD GLN A 129 13.423 -4.216 -6.262 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.041 -3.493 -5.478 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.022 -5.138 -7.001 1.00 1.28 N ATOM 0 H GLN A 129 9.841 -3.284 -4.170 1.00 0.25 H new ATOM 0 HA GLN A 129 9.377 -4.655 -6.656 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.446 -4.783 -4.464 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.384 -6.024 -5.700 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.655 -4.324 -7.463 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.631 -3.046 -6.264 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.474 -5.716 -7.638 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.031 -5.270 -6.933 1.00 1.28 H new ATOM 1966 N GLU A 130 8.315 -5.964 -3.917 1.00 0.33 N ATOM 1967 CA GLU A 130 7.479 -7.050 -3.428 1.00 0.38 C ATOM 1968 C GLU A 130 6.134 -6.986 -4.121 1.00 0.33 C ATOM 1969 O GLU A 130 5.497 -8.005 -4.363 1.00 0.36 O ATOM 1970 CB GLU A 130 7.273 -6.985 -1.914 1.00 0.48 C ATOM 1971 CG GLU A 130 8.426 -6.349 -1.175 1.00 0.71 C ATOM 1972 CD GLU A 130 8.396 -6.606 0.318 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.321 -6.415 0.931 1.00 2.02 O ATOM 1974 OE2 GLU A 130 9.447 -6.962 0.896 1.00 1.46 O ATOM 0 H GLU A 130 8.417 -5.178 -3.275 1.00 0.33 H new ATOM 0 HA GLU A 130 7.986 -7.989 -3.650 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.363 -6.423 -1.703 1.00 0.48 H new ATOM 0 HB3 GLU A 130 7.120 -7.995 -1.533 1.00 0.48 H new ATOM 0 HG2 GLU A 130 9.363 -6.728 -1.583 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.413 -5.274 -1.352 1.00 0.71 H new ATOM 1981 N LEU A 131 5.710 -5.785 -4.480 1.00 0.29 N ATOM 1982 CA LEU A 131 4.442 -5.644 -5.172 1.00 0.29 C ATOM 1983 C LEU A 131 4.587 -6.143 -6.581 1.00 0.24 C ATOM 1984 O LEU A 131 3.765 -6.905 -7.078 1.00 0.25 O ATOM 1985 CB LEU A 131 3.951 -4.204 -5.161 1.00 0.32 C ATOM 1986 CG LEU A 131 3.196 -3.808 -3.896 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.100 -4.810 -3.616 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.140 -3.749 -2.726 1.00 1.06 C ATOM 0 H LEU A 131 6.212 -4.914 -4.309 1.00 0.29 H new ATOM 0 HA LEU A 131 3.695 -6.240 -4.648 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.807 -3.540 -5.282 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.301 -4.047 -6.022 1.00 0.32 H new ATOM 0 HG LEU A 131 2.753 -2.823 -4.045 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.565 -4.521 -2.711 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.406 -4.834 -4.456 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.537 -5.799 -3.478 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.590 -3.465 -1.829 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.597 -4.727 -2.577 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.918 -3.011 -2.923 1.00 1.06 H new ATOM 2000 N MET A 132 5.670 -5.763 -7.213 1.00 0.21 N ATOM 2001 CA MET A 132 5.946 -6.257 -8.536 1.00 0.22 C ATOM 2002 C MET A 132 6.378 -7.720 -8.467 1.00 0.26 C ATOM 2003 O MET A 132 6.552 -8.370 -9.494 1.00 0.32 O ATOM 2004 CB MET A 132 6.986 -5.385 -9.221 1.00 0.23 C ATOM 2005 CG MET A 132 8.425 -5.674 -8.838 1.00 0.26 C ATOM 2006 SD MET A 132 9.249 -6.689 -10.074 1.00 0.35 S ATOM 2007 CE MET A 132 8.578 -5.935 -11.553 1.00 0.32 C ATOM 0 H MET A 132 6.367 -5.120 -6.837 1.00 0.21 H new ATOM 0 HA MET A 132 5.038 -6.209 -9.138 1.00 0.22 H new ATOM 0 HB2 MET A 132 6.883 -5.504 -10.300 1.00 0.23 H new ATOM 0 HB3 MET A 132 6.769 -4.341 -8.993 1.00 0.23 H new ATOM 0 HG2 MET A 132 8.966 -4.735 -8.718 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.450 -6.182 -7.874 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.253 -6.112 -12.390 1.00 0.32 H new ATOM 0 HE2 MET A 132 7.604 -6.371 -11.774 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.468 -4.862 -11.397 1.00 0.32 H new ATOM 2017 N GLU A 133 6.515 -8.240 -7.245 1.00 0.27 N ATOM 2018 CA GLU A 133 6.730 -9.662 -7.048 1.00 0.35 C ATOM 2019 C GLU A 133 5.418 -10.387 -7.296 1.00 0.34 C ATOM 2020 O GLU A 133 5.399 -11.509 -7.803 1.00 0.40 O ATOM 2021 CB GLU A 133 7.251 -9.947 -5.636 1.00 0.44 C ATOM 2022 CG GLU A 133 7.359 -11.423 -5.299 1.00 0.67 C ATOM 2023 CD GLU A 133 7.865 -11.662 -3.895 1.00 1.30 C ATOM 2024 OE1 GLU A 133 7.100 -11.439 -2.934 1.00 2.18 O ATOM 2025 OE2 GLU A 133 9.033 -12.076 -3.741 1.00 1.55 O ATOM 0 H GLU A 133 6.480 -7.694 -6.384 1.00 0.27 H new ATOM 0 HA GLU A 133 7.485 -10.018 -7.749 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.233 -9.487 -5.523 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.590 -9.468 -4.913 1.00 0.44 H new ATOM 0 HG2 GLU A 133 6.381 -11.891 -5.414 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.029 -11.906 -6.010 1.00 0.67 H new ATOM 2032 N TYR A 134 4.305 -9.725 -6.965 1.00 0.30 N ATOM 2033 CA TYR A 134 2.999 -10.266 -7.316 1.00 0.34 C ATOM 2034 C TYR A 134 2.591 -9.754 -8.691 1.00 0.36 C ATOM 2035 O TYR A 134 1.449 -9.903 -9.129 1.00 0.44 O ATOM 2036 CB TYR A 134 1.998 -9.930 -6.236 1.00 0.32 C ATOM 2037 CG TYR A 134 2.535 -10.312 -4.885 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.629 -11.640 -4.516 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.887 -9.342 -3.958 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.059 -11.998 -3.256 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.312 -9.689 -2.694 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.649 -11.014 -2.443 1.00 0.57 C ATOM 2043 OH TYR A 134 3.821 -11.365 -1.083 1.00 0.74 O ATOM 0 H TYR A 134 4.285 -8.835 -6.467 1.00 0.30 H new ATOM 0 HA TYR A 134 3.039 -11.354 -7.378 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.775 -8.863 -6.257 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.061 -10.455 -6.424 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.362 -12.409 -5.225 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.827 -8.299 -4.231 1.00 0.37 H new ATOM 0 HE1 TYR A 134 2.945 -13.012 -2.901 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.382 -8.946 -1.913 1.00 0.49 H new ATOM 0 HH TYR A 134 4.237 -10.619 -0.603 1.00 0.74 H new ATOM 2053 N ASN A 135 3.568 -9.115 -9.332 1.00 0.35 N ATOM 2054 CA ASN A 135 3.529 -8.747 -10.743 1.00 0.38 C ATOM 2055 C ASN A 135 2.562 -7.607 -10.959 1.00 0.42 C ATOM 2056 O ASN A 135 1.996 -7.433 -12.036 1.00 0.59 O ATOM 2057 CB ASN A 135 3.179 -9.953 -11.624 1.00 0.47 C ATOM 2058 CG ASN A 135 3.566 -9.744 -13.077 1.00 1.19 C ATOM 2059 OD1 ASN A 135 4.526 -9.034 -13.381 1.00 1.94 O ATOM 2060 ND2 ASN A 135 2.832 -10.374 -13.980 1.00 1.89 N ATOM 0 H ASN A 135 4.432 -8.832 -8.870 1.00 0.35 H new ATOM 0 HA ASN A 135 4.523 -8.412 -11.038 1.00 0.38 H new ATOM 0 HB2 ASN A 135 3.686 -10.838 -11.240 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.108 -10.146 -11.561 1.00 0.47 H new ATOM 0 HD21 ASN A 135 3.053 -10.281 -14.971 1.00 1.89 H new ATOM 0 HD22 ASN A 135 2.045 -10.952 -13.685 1.00 1.89 H new ATOM 2067 N LEU A 136 2.380 -6.828 -9.915 1.00 0.38 N ATOM 2068 CA LEU A 136 1.657 -5.594 -10.018 1.00 0.46 C ATOM 2069 C LEU A 136 2.674 -4.469 -10.004 1.00 0.39 C ATOM 2070 O LEU A 136 2.936 -3.823 -8.990 1.00 0.43 O ATOM 2071 CB LEU A 136 0.603 -5.467 -8.911 1.00 0.62 C ATOM 2072 CG LEU A 136 1.107 -5.483 -7.473 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.441 -4.380 -6.673 1.00 1.68 C ATOM 2074 CD2 LEU A 136 0.823 -6.832 -6.841 1.00 1.44 C ATOM 0 H LEU A 136 2.729 -7.036 -8.980 1.00 0.38 H new ATOM 0 HA LEU A 136 1.092 -5.552 -10.949 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.056 -4.537 -9.068 1.00 0.62 H new ATOM 0 HB3 LEU A 136 -0.112 -6.281 -9.029 1.00 0.62 H new ATOM 0 HG LEU A 136 2.184 -5.312 -7.474 1.00 0.89 H new ATOM 0 HD11 LEU A 136 0.809 -4.401 -5.647 1.00 1.68 H new ATOM 0 HD12 LEU A 136 0.673 -3.414 -7.122 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.639 -4.531 -6.674 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.186 -6.836 -5.813 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.251 -7.018 -6.847 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.330 -7.613 -7.408 1.00 1.44 H new ATOM 2086 N VAL A 137 3.307 -4.320 -11.151 1.00 0.33 N ATOM 2087 CA VAL A 137 4.374 -3.358 -11.337 1.00 0.27 C ATOM 2088 C VAL A 137 3.849 -1.949 -11.151 1.00 0.26 C ATOM 2089 O VAL A 137 2.789 -1.606 -11.656 1.00 0.27 O ATOM 2090 CB VAL A 137 4.986 -3.453 -12.749 1.00 0.27 C ATOM 2091 CG1 VAL A 137 6.501 -3.360 -12.687 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.529 -4.715 -13.467 1.00 0.49 C ATOM 0 H VAL A 137 3.094 -4.867 -11.985 1.00 0.33 H new ATOM 0 HA VAL A 137 5.140 -3.586 -10.595 1.00 0.27 H new ATOM 0 HB VAL A 137 4.626 -2.605 -13.331 1.00 0.27 H new ATOM 0 HG11 VAL A 137 6.911 -3.429 -13.694 1.00 0.61 H new ATOM 0 HG12 VAL A 137 6.789 -2.407 -12.243 1.00 0.61 H new ATOM 0 HG13 VAL A 137 6.891 -4.177 -12.079 1.00 0.61 H new ATOM 0 HG21 VAL A 137 4.978 -4.752 -14.459 1.00 0.49 H new ATOM 0 HG22 VAL A 137 4.838 -5.591 -12.896 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.443 -4.708 -13.560 1.00 0.49 H new ATOM 2102 N PRO A 138 4.571 -1.126 -10.397 1.00 0.25 N ATOM 2103 CA PRO A 138 4.248 0.288 -10.256 1.00 0.27 C ATOM 2104 C PRO A 138 4.094 0.973 -11.594 1.00 0.30 C ATOM 2105 O PRO A 138 4.693 0.572 -12.590 1.00 0.29 O ATOM 2106 CB PRO A 138 5.460 0.876 -9.561 1.00 0.30 C ATOM 2107 CG PRO A 138 6.103 -0.255 -8.858 1.00 0.29 C ATOM 2108 CD PRO A 138 5.731 -1.519 -9.591 1.00 0.27 C ATOM 0 HA PRO A 138 3.308 0.420 -9.720 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.142 1.330 -10.280 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.169 1.659 -8.860 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.185 -0.128 -8.839 1.00 0.29 H new ATOM 0 HG3 PRO A 138 5.769 -0.301 -7.821 1.00 0.29 H new ATOM 0 HD2 PRO A 138 6.550 -1.875 -10.216 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.484 -2.325 -8.900 1.00 0.27 H new ATOM 2116 N GLU A 139 3.325 2.033 -11.589 1.00 0.35 N ATOM 2117 CA GLU A 139 3.118 2.840 -12.781 1.00 0.40 C ATOM 2118 C GLU A 139 4.296 3.767 -12.962 1.00 0.42 C ATOM 2119 O GLU A 139 4.531 4.293 -14.051 1.00 0.50 O ATOM 2120 CB GLU A 139 1.811 3.612 -12.702 1.00 0.47 C ATOM 2121 CG GLU A 139 0.612 2.793 -13.156 1.00 0.80 C ATOM 2122 CD GLU A 139 0.727 2.375 -14.615 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.624 1.575 -14.951 1.00 2.01 O ATOM 2124 OE2 GLU A 139 -0.103 2.817 -15.430 1.00 1.98 O ATOM 0 H GLU A 139 2.823 2.366 -10.766 1.00 0.35 H new ATOM 0 HA GLU A 139 3.046 2.185 -13.649 1.00 0.40 H new ATOM 0 HB2 GLU A 139 1.651 3.942 -11.676 1.00 0.47 H new ATOM 0 HB3 GLU A 139 1.886 4.508 -13.317 1.00 0.47 H new ATOM 0 HG2 GLU A 139 0.522 1.905 -12.530 1.00 0.80 H new ATOM 0 HG3 GLU A 139 -0.299 3.375 -13.016 1.00 0.80 H new ATOM 2131 N GLU A 140 5.019 3.967 -11.868 1.00 0.42 N ATOM 2132 CA GLU A 140 6.376 4.463 -11.919 1.00 0.44 C ATOM 2133 C GLU A 140 7.143 3.686 -12.960 1.00 0.43 C ATOM 2134 O GLU A 140 7.761 4.230 -13.874 1.00 0.51 O ATOM 2135 CB GLU A 140 7.073 4.166 -10.598 1.00 0.45 C ATOM 2136 CG GLU A 140 6.794 5.094 -9.458 1.00 0.75 C ATOM 2137 CD GLU A 140 5.331 5.447 -9.300 1.00 0.87 C ATOM 2138 OE1 GLU A 140 4.499 4.527 -9.182 1.00 1.01 O ATOM 2139 OE2 GLU A 140 5.015 6.658 -9.280 1.00 1.14 O ATOM 0 H GLU A 140 4.676 3.788 -10.924 1.00 0.42 H new ATOM 0 HA GLU A 140 6.348 5.531 -12.135 1.00 0.44 H new ATOM 0 HB2 GLU A 140 6.797 3.158 -10.289 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.148 4.162 -10.776 1.00 0.45 H new ATOM 0 HG2 GLU A 140 7.149 4.637 -8.535 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.366 6.011 -9.600 1.00 0.75 H new ATOM 2146 N TRP A 141 7.067 2.378 -12.785 1.00 0.35 N ATOM 2147 CA TRP A 141 7.926 1.460 -13.490 1.00 0.35 C ATOM 2148 C TRP A 141 7.292 1.036 -14.813 1.00 0.38 C ATOM 2149 O TRP A 141 7.989 0.621 -15.737 1.00 0.45 O ATOM 2150 CB TRP A 141 8.248 0.256 -12.618 1.00 0.32 C ATOM 2151 CG TRP A 141 8.741 0.582 -11.217 1.00 0.29 C ATOM 2152 CD1 TRP A 141 8.958 1.819 -10.641 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.043 -0.377 -10.191 1.00 0.25 C ATOM 2154 NE1 TRP A 141 9.381 1.667 -9.348 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.437 0.336 -9.045 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.015 -1.771 -10.135 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 9.792 -0.297 -7.854 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.360 -2.402 -8.949 1.00 0.23 C ATOM 2159 CH2 TRP A 141 9.743 -1.665 -7.817 1.00 0.23 C ATOM 0 H TRP A 141 6.407 1.929 -12.150 1.00 0.35 H new ATOM 0 HA TRP A 141 8.863 1.967 -13.720 1.00 0.35 H new ATOM 0 HB2 TRP A 141 7.354 -0.362 -12.536 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.006 -0.344 -13.122 1.00 0.32 H new ATOM 0 HD1 TRP A 141 8.815 2.767 -11.138 1.00 0.34 H new ATOM 0 HE1 TRP A 141 9.617 2.428 -8.711 1.00 0.31 H new ATOM 0 HE3 TRP A 141 8.729 -2.349 -11.001 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.096 0.273 -6.989 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.334 -3.480 -8.895 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.002 -2.183 -6.906 1.00 0.23 H new ATOM 2170 N GLY A 142 5.963 1.129 -14.896 1.00 0.35 N ATOM 2171 CA GLY A 142 5.286 0.923 -16.165 1.00 0.39 C ATOM 2172 C GLY A 142 4.397 -0.299 -16.153 1.00 0.38 C ATOM 2173 O GLY A 142 4.097 -0.873 -17.202 1.00 0.45 O ATOM 0 H GLY A 142 5.348 1.342 -14.110 1.00 0.35 H new ATOM 0 HA2 GLY A 142 4.687 1.802 -16.401 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.028 0.821 -16.957 1.00 0.39 H new ATOM 2177 N GLY A 143 3.986 -0.705 -14.964 1.00 0.33 N ATOM 2178 CA GLY A 143 3.137 -1.870 -14.828 1.00 0.34 C ATOM 2179 C GLY A 143 1.666 -1.532 -14.791 1.00 0.37 C ATOM 2180 O GLY A 143 1.082 -1.156 -15.810 1.00 0.50 O ATOM 0 H GLY A 143 4.226 -0.247 -14.085 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.327 -2.549 -15.659 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.404 -2.402 -13.915 1.00 0.34 H new ATOM 2184 N ASP A 144 1.066 -1.666 -13.619 1.00 0.33 N ATOM 2185 CA ASP A 144 -0.358 -1.438 -13.461 1.00 0.40 C ATOM 2186 C ASP A 144 -0.706 -1.080 -12.018 1.00 0.30 C ATOM 2187 O ASP A 144 -1.825 -1.328 -11.555 1.00 0.32 O ATOM 2188 CB ASP A 144 -1.152 -2.681 -13.901 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.804 -3.935 -13.105 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.232 -4.575 -13.397 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.551 -4.277 -12.164 1.00 1.30 O ATOM 0 H ASP A 144 1.547 -1.933 -12.760 1.00 0.33 H new ATOM 0 HA ASP A 144 -0.632 -0.595 -14.096 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -2.218 -2.478 -13.797 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.965 -2.867 -14.959 1.00 0.57 H new ATOM 2196 N THR A 145 0.240 -0.493 -11.296 1.00 0.25 N ATOM 2197 CA THR A 145 0.006 -0.231 -9.878 1.00 0.24 C ATOM 2198 C THR A 145 0.378 1.187 -9.442 1.00 0.24 C ATOM 2199 O THR A 145 1.450 1.697 -9.757 1.00 0.31 O ATOM 2200 CB THR A 145 0.748 -1.263 -9.022 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.323 -2.568 -9.413 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.470 -1.061 -7.541 1.00 0.28 C ATOM 0 H THR A 145 1.149 -0.197 -11.652 1.00 0.25 H new ATOM 0 HA THR A 145 -1.069 -0.321 -9.724 1.00 0.24 H new ATOM 0 HB THR A 145 1.820 -1.143 -9.179 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.650 -2.637 -9.318 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.012 -1.810 -6.964 1.00 0.28 H new ATOM 0 HG22 THR A 145 0.797 -0.065 -7.242 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.599 -1.163 -7.354 1.00 0.28 H new ATOM 2210 N ILE A 146 -0.531 1.804 -8.692 1.00 0.26 N ATOM 2211 CA ILE A 146 -0.346 3.159 -8.183 1.00 0.27 C ATOM 2212 C ILE A 146 0.392 3.129 -6.848 1.00 0.24 C ATOM 2213 O ILE A 146 -0.176 2.742 -5.845 1.00 0.26 O ATOM 2214 CB ILE A 146 -1.702 3.872 -7.951 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -2.569 3.893 -9.214 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -1.471 5.287 -7.454 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -3.309 2.600 -9.491 1.00 1.23 C ATOM 0 H ILE A 146 -1.417 1.378 -8.420 1.00 0.26 H new ATOM 0 HA ILE A 146 0.229 3.701 -8.934 1.00 0.27 H new ATOM 0 HB ILE A 146 -2.242 3.303 -7.194 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -3.295 4.701 -9.127 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.936 4.125 -10.070 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -2.431 5.778 -7.295 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.918 5.257 -6.515 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -0.897 5.844 -8.195 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.897 2.705 -10.403 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -2.591 1.789 -9.614 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -3.972 2.374 -8.656 1.00 1.23 H new ATOM 2229 N PHE A 147 1.640 3.546 -6.822 1.00 0.23 N ATOM 2230 CA PHE A 147 2.404 3.551 -5.577 1.00 0.22 C ATOM 2231 C PHE A 147 2.336 4.908 -4.895 1.00 0.24 C ATOM 2232 O PHE A 147 2.809 5.907 -5.429 1.00 0.38 O ATOM 2233 CB PHE A 147 3.855 3.176 -5.839 1.00 0.23 C ATOM 2234 CG PHE A 147 4.076 1.706 -5.734 1.00 0.21 C ATOM 2235 CD1 PHE A 147 3.734 0.874 -6.784 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.654 1.161 -4.605 1.00 0.21 C ATOM 2237 CE1 PHE A 147 3.958 -0.484 -6.704 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.884 -0.198 -4.520 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.440 -1.029 -5.509 1.00 0.19 C ATOM 0 H PHE A 147 2.150 3.885 -7.638 1.00 0.23 H new ATOM 0 HA PHE A 147 1.959 2.810 -4.913 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.144 3.517 -6.833 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.498 3.692 -5.126 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.288 1.291 -7.674 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.929 1.803 -3.781 1.00 0.21 H new ATOM 0 HE1 PHE A 147 3.763 -1.120 -7.555 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.415 -0.604 -3.672 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.461 -2.100 -5.369 1.00 0.19 H new ATOM 2249 N CYS A 148 1.739 4.939 -3.718 1.00 0.25 N ATOM 2250 CA CYS A 148 1.674 6.156 -2.938 1.00 0.28 C ATOM 2251 C CYS A 148 2.392 5.948 -1.616 1.00 0.26 C ATOM 2252 O CYS A 148 2.141 4.968 -0.919 1.00 0.32 O ATOM 2253 CB CYS A 148 0.221 6.539 -2.671 1.00 0.30 C ATOM 2254 SG CYS A 148 0.008 8.211 -2.013 1.00 1.10 S ATOM 0 H CYS A 148 1.292 4.132 -3.282 1.00 0.25 H new ATOM 0 HA CYS A 148 2.154 6.959 -3.497 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.343 6.451 -3.599 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.208 5.826 -1.968 1.00 0.30 H new ATOM 0 HG CYS A 148 0.808 8.385 -1.003 1.00 1.10 H new ATOM 2260 N LYS A 149 3.300 6.847 -1.288 1.00 0.37 N ATOM 2261 CA LYS A 149 3.949 6.826 0.012 1.00 0.38 C ATOM 2262 C LYS A 149 3.353 7.918 0.893 1.00 0.39 C ATOM 2263 O LYS A 149 3.839 9.049 0.937 1.00 0.47 O ATOM 2264 CB LYS A 149 5.468 6.973 -0.138 1.00 0.47 C ATOM 2265 CG LYS A 149 5.907 8.084 -1.076 1.00 0.64 C ATOM 2266 CD LYS A 149 7.421 8.128 -1.205 1.00 0.94 C ATOM 2267 CE LYS A 149 7.870 9.223 -2.156 1.00 1.57 C ATOM 2268 NZ LYS A 149 7.354 9.012 -3.534 1.00 2.44 N ATOM 0 H LYS A 149 3.606 7.601 -1.902 1.00 0.37 H new ATOM 0 HA LYS A 149 3.771 5.865 0.494 1.00 0.38 H new ATOM 0 HB2 LYS A 149 5.901 7.154 0.846 1.00 0.47 H new ATOM 0 HB3 LYS A 149 5.877 6.029 -0.498 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.460 7.932 -2.058 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.543 9.042 -0.705 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.866 8.293 -0.224 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.784 7.164 -1.562 1.00 0.94 H new ATOM 0 HE2 LYS A 149 7.527 10.189 -1.785 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.959 9.259 -2.179 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 7.865 9.632 -4.195 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.497 8.019 -3.810 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 6.339 9.237 -3.563 1.00 2.44 H new ATOM 2282 N LEU A 150 2.271 7.572 1.574 1.00 0.40 N ATOM 2283 CA LEU A 150 1.505 8.529 2.334 1.00 0.45 C ATOM 2284 C LEU A 150 1.722 8.389 3.833 1.00 0.45 C ATOM 2285 O LEU A 150 2.513 7.571 4.298 1.00 0.49 O ATOM 2286 CB LEU A 150 0.003 8.421 1.991 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.678 7.033 2.055 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -0.080 6.052 1.070 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.669 6.457 3.463 1.00 1.27 C ATOM 0 H LEU A 150 1.906 6.620 1.611 1.00 0.40 H new ATOM 0 HA LEU A 150 1.863 9.519 2.051 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.538 9.085 2.665 1.00 0.60 H new ATOM 0 HB3 LEU A 150 -0.134 8.810 0.982 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.717 7.193 1.767 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.592 5.094 1.154 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -0.196 6.437 0.057 1.00 1.25 H new ATOM 0 HD13 LEU A 150 0.979 5.917 1.288 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.157 5.482 3.461 1.00 1.27 H new ATOM 0 HD22 LEU A 150 0.360 6.346 3.804 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.204 7.129 4.134 1.00 1.27 H new ATOM 2301 N SER A 151 0.998 9.200 4.577 1.00 0.49 N ATOM 2302 CA SER A 151 1.063 9.188 6.015 1.00 0.55 C ATOM 2303 C SER A 151 -0.231 9.745 6.590 1.00 0.57 C ATOM 2304 O SER A 151 -0.642 10.851 6.246 1.00 0.60 O ATOM 2305 CB SER A 151 2.260 10.010 6.480 1.00 0.66 C ATOM 2306 OG SER A 151 2.309 11.263 5.815 1.00 1.79 O ATOM 0 H SER A 151 0.347 9.886 4.195 1.00 0.49 H new ATOM 0 HA SER A 151 1.187 8.165 6.369 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.200 10.168 7.557 1.00 0.66 H new ATOM 0 HB3 SER A 151 3.180 9.458 6.290 1.00 0.66 H new ATOM 0 HG SER A 151 2.441 11.977 6.473 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.887 8.971 7.436 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.129 9.413 8.059 1.00 0.70 C ATOM 2314 C ALA A 152 -1.852 10.412 9.177 1.00 0.74 C ATOM 2315 O ALA A 152 -2.752 11.105 9.648 1.00 0.87 O ATOM 2316 CB ALA A 152 -2.898 8.222 8.600 1.00 0.86 C ATOM 0 H ALA A 152 -0.585 8.036 7.709 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.733 9.909 7.299 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -3.823 8.566 9.063 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.133 7.539 7.784 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.291 7.704 9.343 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.588 10.494 9.568 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.178 11.324 10.680 1.00 0.93 C ATOM 2324 C LYS A 153 -0.163 12.779 10.258 1.00 0.86 C ATOM 2325 O LYS A 153 -0.841 13.625 10.840 1.00 0.96 O ATOM 2326 CB LYS A 153 1.213 10.926 11.130 1.00 1.13 C ATOM 2327 CG LYS A 153 1.502 9.435 11.056 1.00 1.19 C ATOM 2328 CD LYS A 153 0.814 8.644 12.156 1.00 1.68 C ATOM 2329 CE LYS A 153 1.201 7.171 12.103 1.00 2.31 C ATOM 2330 NZ LYS A 153 2.677 6.981 12.115 1.00 3.03 N ATOM 0 H LYS A 153 0.176 9.987 9.122 1.00 0.77 H new ATOM 0 HA LYS A 153 -0.883 11.188 11.500 1.00 0.93 H new ATOM 0 HB2 LYS A 153 1.943 11.455 10.518 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.357 11.260 12.158 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.180 9.055 10.086 1.00 1.19 H new ATOM 0 HG3 LYS A 153 2.578 9.275 11.119 1.00 1.19 H new ATOM 0 HD2 LYS A 153 1.083 9.058 13.128 1.00 1.68 H new ATOM 0 HD3 LYS A 153 -0.267 8.742 12.056 1.00 1.68 H new ATOM 0 HE2 LYS A 153 0.762 6.650 12.954 1.00 2.31 H new ATOM 0 HE3 LYS A 153 0.785 6.719 11.203 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 2.898 5.996 12.366 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.062 7.193 11.172 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 3.104 7.621 12.815 1.00 3.03 H new ATOM 2344 N THR A 154 0.614 13.056 9.231 1.00 0.78 N ATOM 2345 CA THR A 154 0.760 14.408 8.735 1.00 0.81 C ATOM 2346 C THR A 154 -0.154 14.664 7.543 1.00 0.73 C ATOM 2347 O THR A 154 -0.394 15.809 7.165 1.00 0.82 O ATOM 2348 CB THR A 154 2.220 14.700 8.351 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.757 13.594 7.614 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.064 14.943 9.591 1.00 1.20 C ATOM 0 H THR A 154 1.156 12.358 8.722 1.00 0.78 H new ATOM 0 HA THR A 154 0.469 15.082 9.541 1.00 0.81 H new ATOM 0 HB THR A 154 2.242 15.598 7.733 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.687 13.784 7.370 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.093 15.148 9.296 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.667 15.797 10.140 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.038 14.059 10.228 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.656 13.574 6.969 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.607 13.621 5.861 1.00 0.67 C ATOM 2360 C LYS A 155 -0.992 14.238 4.610 1.00 0.66 C ATOM 2361 O LYS A 155 -1.703 14.753 3.745 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.881 14.357 6.275 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.699 13.583 7.298 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.949 14.338 7.706 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.884 13.462 8.526 1.00 1.39 C ATOM 2366 NZ LYS A 155 -5.248 12.964 9.780 1.00 2.27 N ATOM 0 H LYS A 155 -0.413 12.627 7.261 1.00 0.65 H new ATOM 0 HA LYS A 155 -1.873 12.594 5.610 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.616 15.330 6.689 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -3.492 14.542 5.392 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -3.978 12.615 6.883 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.088 13.388 8.179 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.671 15.218 8.286 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -5.468 14.693 6.816 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.780 14.029 8.778 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.203 12.612 7.922 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -5.942 12.415 10.327 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -4.437 12.358 9.541 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -4.921 13.772 10.348 1.00 2.27 H new ATOM 2380 N GLU A 156 0.331 14.156 4.516 1.00 0.62 N ATOM 2381 CA GLU A 156 1.054 14.618 3.338 1.00 0.66 C ATOM 2382 C GLU A 156 0.625 13.812 2.120 1.00 0.59 C ATOM 2383 O GLU A 156 0.001 14.324 1.188 1.00 0.58 O ATOM 2384 CB GLU A 156 2.560 14.440 3.544 1.00 0.75 C ATOM 2385 CG GLU A 156 3.128 15.182 4.742 1.00 1.13 C ATOM 2386 CD GLU A 156 3.272 16.667 4.502 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.036 17.062 3.596 1.00 2.03 O ATOM 2388 OE2 GLU A 156 2.603 17.450 5.206 1.00 2.64 O ATOM 0 H GLU A 156 0.928 13.771 5.248 1.00 0.62 H new ATOM 0 HA GLU A 156 0.828 15.673 3.182 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.775 13.377 3.657 1.00 0.75 H new ATOM 0 HB3 GLU A 156 3.078 14.776 2.646 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.480 15.020 5.604 1.00 1.13 H new ATOM 0 HG3 GLU A 156 4.103 14.764 4.993 1.00 1.13 H new ATOM 2395 N GLY A 157 0.946 12.529 2.162 1.00 0.62 N ATOM 2396 CA GLY A 157 0.683 11.654 1.052 1.00 0.61 C ATOM 2397 C GLY A 157 -0.787 11.336 0.867 1.00 0.48 C ATOM 2398 O GLY A 157 -1.162 10.752 -0.141 1.00 0.46 O ATOM 0 H GLY A 157 1.391 12.077 2.961 1.00 0.62 H new ATOM 0 HA2 GLY A 157 1.065 12.113 0.140 1.00 0.61 H new ATOM 0 HA3 GLY A 157 1.233 10.724 1.195 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.623 11.699 1.832 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.051 11.444 1.723 1.00 0.50 C ATOM 2404 C LEU A 158 -3.674 12.367 0.688 1.00 0.46 C ATOM 2405 O LEU A 158 -4.482 11.939 -0.141 1.00 0.51 O ATOM 2406 CB LEU A 158 -3.737 11.609 3.077 1.00 0.62 C ATOM 2407 CG LEU A 158 -3.504 10.460 4.057 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.324 10.663 5.320 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -3.850 9.131 3.401 1.00 1.27 C ATOM 0 H LEU A 158 -1.338 12.167 2.692 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.193 10.413 1.398 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.389 12.535 3.535 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.809 11.718 2.915 1.00 0.62 H new ATOM 0 HG LEU A 158 -2.450 10.446 4.334 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -4.146 9.835 6.007 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -4.033 11.599 5.797 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -5.383 10.700 5.064 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -3.680 8.320 4.109 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -4.898 9.136 3.100 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.221 8.984 2.523 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.273 13.630 0.727 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.686 14.585 -0.291 1.00 0.57 C ATOM 2423 C ASP A 159 -3.168 14.115 -1.641 1.00 0.50 C ATOM 2424 O ASP A 159 -3.889 14.120 -2.638 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.139 15.976 0.035 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.690 17.054 -0.880 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -3.235 17.153 -2.038 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -4.576 17.818 -0.435 1.00 1.58 O ATOM 0 H ASP A 159 -2.665 14.016 1.449 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.774 14.647 -0.318 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.382 16.224 1.068 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.052 15.961 -0.042 1.00 0.73 H new ATOM 2433 N HIS A 160 -1.916 13.659 -1.637 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.265 13.141 -2.834 1.00 0.46 C ATOM 2435 C HIS A 160 -1.919 11.844 -3.311 1.00 0.41 C ATOM 2436 O HIS A 160 -1.831 11.497 -4.484 1.00 0.43 O ATOM 2437 CB HIS A 160 0.230 12.907 -2.557 1.00 0.50 C ATOM 2438 CG HIS A 160 1.024 12.478 -3.759 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.585 13.373 -4.640 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.350 11.243 -4.222 1.00 0.59 C ATOM 2441 CE1 HIS A 160 2.220 12.713 -5.590 1.00 0.73 C ATOM 2442 NE2 HIS A 160 2.093 11.419 -5.364 1.00 0.67 N ATOM 0 H HIS A 160 -1.327 13.639 -0.804 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.377 13.882 -3.626 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.662 13.826 -2.160 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.329 12.148 -1.781 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.076 10.299 -3.775 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.755 13.158 -6.416 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.482 10.673 -5.941 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.568 11.134 -2.398 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.206 9.864 -2.722 1.00 0.39 C ATOM 2453 C LEU A 161 -4.321 10.074 -3.735 1.00 0.39 C ATOM 2454 O LEU A 161 -4.309 9.476 -4.807 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.760 9.202 -1.459 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.503 7.886 -1.685 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.587 6.846 -2.308 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.084 7.376 -0.376 1.00 0.88 C ATOM 0 H LEU A 161 -2.667 11.417 -1.423 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.455 9.205 -3.158 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.934 9.021 -0.771 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.436 9.902 -0.968 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.323 8.070 -2.380 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.139 5.918 -2.459 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.222 7.211 -3.268 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.742 6.661 -1.645 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.610 6.438 -0.553 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.279 7.211 0.340 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.780 8.113 0.025 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.268 10.939 -3.387 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.375 11.282 -4.278 1.00 0.44 C ATOM 2472 C LEU A 162 -5.848 11.765 -5.628 1.00 0.45 C ATOM 2473 O LEU A 162 -6.389 11.414 -6.678 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.224 12.376 -3.626 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.749 12.044 -2.227 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.452 13.251 -1.625 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.687 10.847 -2.277 1.00 1.06 C ATOM 0 H LEU A 162 -5.292 11.419 -2.488 1.00 0.40 H new ATOM 0 HA LEU A 162 -6.985 10.395 -4.447 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.630 13.288 -3.567 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.074 12.590 -4.275 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.901 11.786 -1.592 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.820 12.999 -0.630 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.750 14.082 -1.553 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.290 13.538 -2.260 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.050 10.627 -1.273 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.532 11.074 -2.926 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.152 9.981 -2.668 1.00 1.06 H new ATOM 2489 N GLU A 163 -4.773 12.548 -5.585 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.136 13.063 -6.796 1.00 0.52 C ATOM 2491 C GLU A 163 -3.583 11.913 -7.635 1.00 0.51 C ATOM 2492 O GLU A 163 -3.804 11.842 -8.842 1.00 0.56 O ATOM 2493 CB GLU A 163 -2.996 14.020 -6.432 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.391 15.120 -5.458 1.00 1.06 C ATOM 2495 CD GLU A 163 -4.285 16.179 -6.067 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -5.521 16.021 -6.026 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -3.751 17.200 -6.550 1.00 1.97 O ATOM 0 H GLU A 163 -4.322 12.842 -4.719 1.00 0.46 H new ATOM 0 HA GLU A 163 -4.887 13.601 -7.374 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.178 13.444 -6.000 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -2.616 14.478 -7.345 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -3.902 14.672 -4.605 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.488 15.596 -5.075 1.00 1.06 H new ATOM 2504 N MET A 164 -2.878 11.006 -6.976 1.00 0.49 N ATOM 2505 CA MET A 164 -2.228 9.890 -7.651 1.00 0.52 C ATOM 2506 C MET A 164 -3.268 8.933 -8.230 1.00 0.51 C ATOM 2507 O MET A 164 -3.105 8.421 -9.335 1.00 0.57 O ATOM 2508 CB MET A 164 -1.316 9.149 -6.666 1.00 0.53 C ATOM 2509 CG MET A 164 -0.141 8.430 -7.315 1.00 0.68 C ATOM 2510 SD MET A 164 1.266 9.516 -7.649 1.00 0.87 S ATOM 2511 CE MET A 164 0.607 10.593 -8.923 1.00 0.67 C ATOM 0 H MET A 164 -2.740 11.021 -5.965 1.00 0.49 H new ATOM 0 HA MET A 164 -1.626 10.279 -8.472 1.00 0.52 H new ATOM 0 HB2 MET A 164 -0.932 9.863 -5.938 1.00 0.53 H new ATOM 0 HB3 MET A 164 -1.912 8.421 -6.115 1.00 0.53 H new ATOM 0 HG2 MET A 164 0.183 7.617 -6.665 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.472 7.978 -8.250 1.00 0.68 H new ATOM 0 HE1 MET A 164 1.429 11.073 -9.455 1.00 0.67 H new ATOM 0 HE2 MET A 164 0.014 10.006 -9.625 1.00 0.67 H new ATOM 0 HE3 MET A 164 -0.023 11.355 -8.465 1.00 0.67 H new ATOM 2521 N ILE A 165 -4.343 8.729 -7.477 1.00 0.48 N ATOM 2522 CA ILE A 165 -5.441 7.863 -7.871 1.00 0.51 C ATOM 2523 C ILE A 165 -5.970 8.212 -9.265 1.00 0.58 C ATOM 2524 O ILE A 165 -6.097 7.335 -10.120 1.00 0.64 O ATOM 2525 CB ILE A 165 -6.558 7.967 -6.809 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.173 7.162 -5.566 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -7.895 7.518 -7.351 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.137 7.329 -4.413 1.00 0.50 C ATOM 0 H ILE A 165 -4.475 9.167 -6.565 1.00 0.48 H new ATOM 0 HA ILE A 165 -5.081 6.836 -7.927 1.00 0.51 H new ATOM 0 HB ILE A 165 -6.664 9.016 -6.533 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.116 6.106 -5.831 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.177 7.464 -5.242 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -8.652 7.607 -6.572 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -8.172 8.143 -8.200 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -7.827 6.479 -7.673 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.800 6.729 -3.567 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.177 8.378 -4.121 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.130 7.000 -4.718 1.00 0.50 H new ATOM 2540 N LEU A 166 -6.246 9.488 -9.512 1.00 0.61 N ATOM 2541 CA LEU A 166 -6.787 9.894 -10.798 1.00 0.72 C ATOM 2542 C LEU A 166 -5.698 10.119 -11.842 1.00 0.72 C ATOM 2543 O LEU A 166 -5.897 9.838 -13.026 1.00 0.81 O ATOM 2544 CB LEU A 166 -7.650 11.145 -10.660 1.00 0.82 C ATOM 2545 CG LEU A 166 -7.120 12.260 -9.749 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -6.154 13.166 -10.497 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.278 13.068 -9.192 1.00 1.48 C ATOM 0 H LEU A 166 -6.105 10.248 -8.846 1.00 0.61 H new ATOM 0 HA LEU A 166 -7.410 9.071 -11.146 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.801 11.564 -11.655 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -8.629 10.842 -10.290 1.00 0.82 H new ATOM 0 HG LEU A 166 -6.577 11.799 -8.924 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -5.794 13.947 -9.827 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -5.309 12.579 -10.857 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -6.665 13.622 -11.344 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -7.893 13.857 -8.546 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -8.840 13.513 -10.013 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -8.933 12.415 -8.616 1.00 1.48 H new ATOM 2559 N LEU A 167 -4.553 10.627 -11.408 1.00 0.69 N ATOM 2560 CA LEU A 167 -3.449 10.912 -12.322 1.00 0.79 C ATOM 2561 C LEU A 167 -2.934 9.630 -12.972 1.00 0.87 C ATOM 2562 O LEU A 167 -2.324 9.662 -14.043 1.00 1.02 O ATOM 2563 CB LEU A 167 -2.306 11.627 -11.595 1.00 0.84 C ATOM 2564 CG LEU A 167 -1.182 12.141 -12.500 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -1.716 13.177 -13.474 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -0.055 12.729 -11.668 1.00 1.41 C ATOM 0 H LEU A 167 -4.362 10.851 -10.431 1.00 0.69 H new ATOM 0 HA LEU A 167 -3.829 11.570 -13.103 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -2.719 12.470 -11.041 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -1.878 10.943 -10.862 1.00 0.84 H new ATOM 0 HG LEU A 167 -0.788 11.300 -13.070 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -0.904 13.532 -14.109 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -2.492 12.728 -14.094 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -2.135 14.016 -12.919 1.00 1.42 H new ATOM 0 HD21 LEU A 167 0.735 13.089 -12.328 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -0.437 13.558 -11.073 1.00 1.41 H new ATOM 0 HD23 LEU A 167 0.347 11.962 -11.006 1.00 1.41 H new ATOM 2578 N VAL A 168 -3.193 8.498 -12.334 1.00 0.83 N ATOM 2579 CA VAL A 168 -2.785 7.228 -12.882 1.00 0.96 C ATOM 2580 C VAL A 168 -3.832 6.710 -13.864 1.00 1.01 C ATOM 2581 O VAL A 168 -3.500 6.013 -14.817 1.00 1.14 O ATOM 2582 CB VAL A 168 -2.515 6.200 -11.777 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -2.370 4.817 -12.370 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -1.257 6.574 -11.006 1.00 1.14 C ATOM 0 H VAL A 168 -3.682 8.440 -11.441 1.00 0.83 H new ATOM 0 HA VAL A 168 -1.850 7.380 -13.421 1.00 0.96 H new ATOM 0 HB VAL A 168 -3.361 6.198 -11.090 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -2.179 4.098 -11.574 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -3.289 4.546 -12.890 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -1.538 4.808 -13.074 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -1.076 5.836 -10.224 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -0.406 6.597 -11.687 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -1.386 7.557 -10.554 1.00 1.14 H new