USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 871 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 92 GLN : amide:sc= -1.2 K(o=-2.1,f=-5!) USER MOD Set 1.2: A 105 SER OG : rot -84:sc= -0.914 USER MOD Single : A 10 ASN : amide:sc= 0.165 K(o=0.16,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 86:sc= -0.29 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.22) USER MOD Single : A 18 MET CE :methyl 163:sc= -4.41! (180deg=-4.98!) USER MOD Single : A 19 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.49) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.528 F(o=-1.8,f=-0.53) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -137:sc= 0.502 USER MOD Single : A 42 GLN : amide:sc= -4.25! C(o=-4.2!,f=-5.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0692) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 1:sc= 0.29 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.342) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.32 F(o=-2.5!,f=-1.3) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 130:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 158:sc= -1.79 (180deg=-3.22!) USER MOD Single : A 88 CYS SG : rot 78:sc= 0.00133 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.404 K(o=-0.4,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 71:sc= 0.217 USER MOD Single : A 95 ASN : amide:sc= -5.42! C(o=-5.4!,f=-7.4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.9) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 110 SER OG : rot 84:sc= 0.0344 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 10 0.968 11.399 4.776 1.00 0.00 N ATOM 92 CA ASN A 10 -0.279 11.020 4.121 1.00 0.00 C ATOM 93 C ASN A 10 -1.480 11.372 4.993 1.00 0.00 C ATOM 94 O ASN A 10 -1.435 11.282 6.220 1.00 0.00 O ATOM 95 CB ASN A 10 -0.281 9.523 3.809 1.00 0.00 C ATOM 96 CG ASN A 10 0.757 9.146 2.770 1.00 0.00 C ATOM 97 OD1 ASN A 10 1.234 9.995 2.017 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.113 7.868 2.726 1.00 0.00 N ATOM 0 HA ASN A 10 -0.355 11.578 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.093 8.964 4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.269 9.230 3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.808 7.555 2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.691 7.199 3.370 1.00 0.00 H new ATOM 105 N PRO A 11 -2.581 11.782 4.346 1.00 0.00 N ATOM 106 CA PRO A 11 -3.816 12.154 5.042 1.00 0.00 C ATOM 107 C PRO A 11 -4.513 10.952 5.669 1.00 0.00 C ATOM 108 O PRO A 11 -4.194 9.798 5.380 1.00 0.00 O ATOM 109 CB PRO A 11 -4.682 12.756 3.932 1.00 0.00 C ATOM 110 CG PRO A 11 -4.179 12.128 2.678 1.00 0.00 C ATOM 111 CD PRO A 11 -2.705 11.913 2.884 1.00 0.00 C ATOM 0 HA PRO A 11 -3.627 12.836 5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.738 12.535 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.585 13.841 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.688 11.184 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.363 12.772 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.353 11.019 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.120 12.750 2.504 1.00 0.00 H new ATOM 119 N PRO A 12 -5.488 11.224 6.549 1.00 0.00 N ATOM 120 CA PRO A 12 -6.252 10.177 7.234 1.00 0.00 C ATOM 121 C PRO A 12 -7.181 9.424 6.288 1.00 0.00 C ATOM 122 O PRO A 12 -7.726 8.377 6.639 1.00 0.00 O ATOM 123 CB PRO A 12 -7.062 10.952 8.275 1.00 0.00 C ATOM 124 CG PRO A 12 -7.189 12.325 7.711 1.00 0.00 C ATOM 125 CD PRO A 12 -5.921 12.575 6.942 1.00 0.00 C ATOM 0 HA PRO A 12 -5.603 9.413 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.040 10.497 8.434 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.556 10.966 9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.061 12.401 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.317 13.062 8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.097 13.209 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.171 13.075 7.555 1.00 0.00 H new ATOM 133 N LYS A 13 -7.357 9.962 5.086 1.00 0.00 N ATOM 134 CA LYS A 13 -8.219 9.341 4.088 1.00 0.00 C ATOM 135 C LYS A 13 -7.464 8.269 3.309 1.00 0.00 C ATOM 136 O LYS A 13 -8.014 7.213 2.992 1.00 0.00 O ATOM 137 CB LYS A 13 -8.763 10.398 3.125 1.00 0.00 C ATOM 138 CG LYS A 13 -10.091 10.019 2.493 1.00 0.00 C ATOM 139 CD LYS A 13 -10.315 10.754 1.182 1.00 0.00 C ATOM 140 CE LYS A 13 -9.486 10.152 0.057 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.724 10.846 -1.239 1.00 0.00 N ATOM 0 H LYS A 13 -6.913 10.828 4.779 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.053 8.869 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.881 11.340 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.031 10.570 2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.118 8.944 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.902 10.249 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.372 10.715 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.055 11.806 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.428 10.213 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.729 9.094 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.141 10.407 -1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.729 10.767 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.469 11.850 -1.147 1.00 0.00 H new ATOM 155 N LEU A 14 -6.201 8.546 3.003 1.00 0.00 N ATOM 156 CA LEU A 14 -5.369 7.604 2.261 1.00 0.00 C ATOM 157 C LEU A 14 -4.718 6.595 3.202 1.00 0.00 C ATOM 158 O LEU A 14 -4.822 5.385 3.001 1.00 0.00 O ATOM 159 CB LEU A 14 -4.293 8.354 1.474 1.00 0.00 C ATOM 160 CG LEU A 14 -3.620 7.572 0.346 1.00 0.00 C ATOM 161 CD1 LEU A 14 -3.140 8.517 -0.746 1.00 0.00 C ATOM 162 CD2 LEU A 14 -2.461 6.747 0.886 1.00 0.00 C ATOM 0 H LEU A 14 -5.731 9.415 3.257 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.008 7.062 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.741 9.252 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.523 8.682 2.172 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.354 6.892 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.664 7.943 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.990 9.064 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.422 9.222 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.994 6.197 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.726 7.409 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.831 6.044 1.632 1.00 0.00 H new ATOM 174 N THR A 15 -4.046 7.102 4.231 1.00 0.00 N ATOM 175 CA THR A 15 -3.378 6.246 5.204 1.00 0.00 C ATOM 176 C THR A 15 -4.315 5.156 5.712 1.00 0.00 C ATOM 177 O THR A 15 -3.974 3.973 5.697 1.00 0.00 O ATOM 178 CB THR A 15 -2.857 7.059 6.403 1.00 0.00 C ATOM 179 OG1 THR A 15 -1.827 7.958 5.975 1.00 0.00 O ATOM 180 CG2 THR A 15 -2.315 6.139 7.487 1.00 0.00 C ATOM 0 H THR A 15 -3.950 8.101 4.412 1.00 0.00 H new ATOM 0 HA THR A 15 -2.533 5.785 4.692 1.00 0.00 H new ATOM 0 HB THR A 15 -3.689 7.630 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.233 8.787 5.646 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.953 6.736 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.108 5.476 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.495 5.545 7.084 1.00 0.00 H new ATOM 188 N LYS A 16 -5.498 5.562 6.161 1.00 0.00 N ATOM 189 CA LYS A 16 -6.487 4.620 6.672 1.00 0.00 C ATOM 190 C LYS A 16 -6.830 3.568 5.622 1.00 0.00 C ATOM 191 O LYS A 16 -6.827 2.371 5.907 1.00 0.00 O ATOM 192 CB LYS A 16 -7.755 5.362 7.100 1.00 0.00 C ATOM 193 CG LYS A 16 -7.664 5.970 8.489 1.00 0.00 C ATOM 194 CD LYS A 16 -9.028 6.042 9.156 1.00 0.00 C ATOM 195 CE LYS A 16 -9.394 4.724 9.820 1.00 0.00 C ATOM 196 NZ LYS A 16 -8.770 4.589 11.166 1.00 0.00 N ATOM 0 H LYS A 16 -5.795 6.538 6.181 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.059 4.116 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.964 6.153 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.598 4.672 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.988 5.376 9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.237 6.971 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.029 6.838 9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.784 6.299 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.478 4.653 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.074 3.897 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.044 3.678 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.735 4.631 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.095 5.364 11.779 1.00 0.00 H new ATOM 210 N GLN A 17 -7.124 4.024 4.409 1.00 0.00 N ATOM 211 CA GLN A 17 -7.469 3.121 3.317 1.00 0.00 C ATOM 212 C GLN A 17 -6.581 1.882 3.334 1.00 0.00 C ATOM 213 O GLN A 17 -7.041 0.780 3.634 1.00 0.00 O ATOM 214 CB GLN A 17 -7.337 3.839 1.973 1.00 0.00 C ATOM 215 CG GLN A 17 -7.977 3.087 0.816 1.00 0.00 C ATOM 216 CD GLN A 17 -8.417 4.007 -0.306 1.00 0.00 C ATOM 217 OE1 GLN A 17 -7.788 5.033 -0.566 1.00 0.00 O ATOM 218 NE2 GLN A 17 -9.503 3.643 -0.978 1.00 0.00 N ATOM 0 H GLN A 17 -7.130 5.012 4.157 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.504 2.806 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.794 4.826 2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.280 3.993 1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.268 2.357 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.839 2.529 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.993 2.784 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.847 4.222 -1.744 1.00 0.00 H new ATOM 227 N MET A 18 -5.305 2.069 3.010 1.00 0.00 N ATOM 228 CA MET A 18 -4.352 0.966 2.990 1.00 0.00 C ATOM 229 C MET A 18 -4.661 -0.041 4.094 1.00 0.00 C ATOM 230 O MET A 18 -5.127 -1.147 3.825 1.00 0.00 O ATOM 231 CB MET A 18 -2.925 1.493 3.150 1.00 0.00 C ATOM 232 CG MET A 18 -2.473 2.382 2.002 1.00 0.00 C ATOM 233 SD MET A 18 -0.682 2.586 1.946 1.00 0.00 S ATOM 234 CE MET A 18 -0.553 4.311 1.480 1.00 0.00 C ATOM 0 H MET A 18 -4.908 2.974 2.758 1.00 0.00 H new ATOM 0 HA MET A 18 -4.440 0.462 2.028 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.856 2.054 4.082 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.242 0.648 3.235 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.816 1.955 1.060 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.944 3.360 2.098 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.453 4.671 1.693 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.758 4.416 0.415 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.276 4.896 2.048 1.00 0.00 H new ATOM 244 N ASN A 19 -4.399 0.351 5.336 1.00 0.00 N ATOM 245 CA ASN A 19 -4.649 -0.518 6.481 1.00 0.00 C ATOM 246 C ASN A 19 -6.001 -1.212 6.351 1.00 0.00 C ATOM 247 O ASN A 19 -6.086 -2.440 6.388 1.00 0.00 O ATOM 248 CB ASN A 19 -4.600 0.289 7.780 1.00 0.00 C ATOM 249 CG ASN A 19 -3.189 0.432 8.318 1.00 0.00 C ATOM 250 OD1 ASN A 19 -2.440 -0.542 8.396 1.00 0.00 O ATOM 251 ND2 ASN A 19 -2.820 1.652 8.694 1.00 0.00 N ATOM 0 H ASN A 19 -4.014 1.264 5.576 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.870 -1.280 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.022 1.279 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.225 -0.196 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.883 1.810 9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.474 2.431 8.612 1.00 0.00 H new ATOM 258 N ALA A 20 -7.056 -0.419 6.198 1.00 0.00 N ATOM 259 CA ALA A 20 -8.403 -0.957 6.060 1.00 0.00 C ATOM 260 C ALA A 20 -8.405 -2.222 5.209 1.00 0.00 C ATOM 261 O ALA A 20 -9.013 -3.228 5.576 1.00 0.00 O ATOM 262 CB ALA A 20 -9.330 0.088 5.458 1.00 0.00 C ATOM 0 H ALA A 20 -7.003 0.599 6.166 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.766 -1.219 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.333 -0.328 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.362 0.963 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.961 0.379 4.474 1.00 0.00 H new ATOM 268 N ILE A 21 -7.721 -2.164 4.071 1.00 0.00 N ATOM 269 CA ILE A 21 -7.643 -3.306 3.168 1.00 0.00 C ATOM 270 C ILE A 21 -7.009 -4.509 3.857 1.00 0.00 C ATOM 271 O ILE A 21 -7.568 -5.606 3.851 1.00 0.00 O ATOM 272 CB ILE A 21 -6.835 -2.968 1.901 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.644 -2.050 0.983 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.439 -4.242 1.170 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.789 -1.226 0.047 1.00 0.00 C ATOM 0 H ILE A 21 -7.213 -1.339 3.753 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.665 -3.552 2.881 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.926 -2.444 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.334 -2.655 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.249 -1.380 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.869 -3.987 0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.828 -4.863 1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.336 -4.791 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.429 -0.599 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.117 -0.595 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.203 -1.889 -0.590 1.00 0.00 H new ATOM 287 N ILE A 22 -5.839 -4.296 4.451 1.00 0.00 N ATOM 288 CA ILE A 22 -5.130 -5.362 5.146 1.00 0.00 C ATOM 289 C ILE A 22 -5.980 -5.945 6.270 1.00 0.00 C ATOM 290 O ILE A 22 -6.238 -7.149 6.307 1.00 0.00 O ATOM 291 CB ILE A 22 -3.797 -4.863 5.733 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.839 -4.462 4.609 1.00 0.00 C ATOM 293 CG2 ILE A 22 -3.171 -5.934 6.613 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.346 -5.633 3.789 1.00 0.00 C ATOM 0 H ILE A 22 -5.363 -3.394 4.464 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.925 -6.137 4.408 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.994 -3.985 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.341 -3.753 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.982 -3.944 5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.229 -5.566 7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.850 -6.176 7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.984 -6.829 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.672 -5.274 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.815 -6.332 4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.195 -6.138 3.328 1.00 0.00 H new ATOM 306 N ASP A 23 -6.414 -5.084 7.184 1.00 0.00 N ATOM 307 CA ASP A 23 -7.238 -5.513 8.308 1.00 0.00 C ATOM 308 C ASP A 23 -8.167 -6.652 7.898 1.00 0.00 C ATOM 309 O ASP A 23 -8.075 -7.763 8.422 1.00 0.00 O ATOM 310 CB ASP A 23 -8.058 -4.338 8.844 1.00 0.00 C ATOM 311 CG ASP A 23 -8.850 -4.703 10.085 1.00 0.00 C ATOM 312 OD1 ASP A 23 -8.224 -4.942 11.139 1.00 0.00 O ATOM 313 OD2 ASP A 23 -10.095 -4.749 10.001 1.00 0.00 O ATOM 0 H ASP A 23 -6.209 -4.085 7.169 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.576 -5.874 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.390 -3.508 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.742 -3.992 8.069 1.00 0.00 H new ATOM 318 N THR A 24 -9.063 -6.369 6.958 1.00 0.00 N ATOM 319 CA THR A 24 -10.010 -7.368 6.479 1.00 0.00 C ATOM 320 C THR A 24 -9.295 -8.648 6.063 1.00 0.00 C ATOM 321 O THR A 24 -9.787 -9.751 6.301 1.00 0.00 O ATOM 322 CB THR A 24 -10.829 -6.839 5.285 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.713 -5.801 5.720 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.631 -7.960 4.641 1.00 0.00 C ATOM 0 H THR A 24 -9.153 -5.456 6.513 1.00 0.00 H new ATOM 0 HA THR A 24 -10.686 -7.585 7.306 1.00 0.00 H new ATOM 0 HB THR A 24 -10.136 -6.438 4.545 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.229 -5.469 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.201 -7.563 3.801 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.952 -8.735 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 24 -12.315 -8.386 5.375 1.00 0.00 H new ATOM 332 N VAL A 25 -8.131 -8.495 5.441 1.00 0.00 N ATOM 333 CA VAL A 25 -7.347 -9.640 4.993 1.00 0.00 C ATOM 334 C VAL A 25 -6.742 -10.388 6.176 1.00 0.00 C ATOM 335 O VAL A 25 -7.192 -11.478 6.530 1.00 0.00 O ATOM 336 CB VAL A 25 -6.216 -9.208 4.040 1.00 0.00 C ATOM 337 CG1 VAL A 25 -5.316 -10.389 3.710 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.793 -8.596 2.773 1.00 0.00 C ATOM 0 H VAL A 25 -7.710 -7.589 5.236 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.029 -10.301 4.459 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.612 -8.451 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.523 -10.065 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.875 -10.778 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.904 -11.171 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.981 -8.296 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.421 -9.330 2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.392 -7.722 3.031 1.00 0.00 H new ATOM 348 N ILE A 26 -5.719 -9.795 6.783 1.00 0.00 N ATOM 349 CA ILE A 26 -5.053 -10.405 7.927 1.00 0.00 C ATOM 350 C ILE A 26 -6.065 -11.016 8.890 1.00 0.00 C ATOM 351 O ILE A 26 -5.804 -12.048 9.508 1.00 0.00 O ATOM 352 CB ILE A 26 -4.191 -9.380 8.689 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.962 -9.000 7.861 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.774 -9.940 10.040 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.171 -7.851 8.446 1.00 0.00 C ATOM 0 H ILE A 26 -5.334 -8.893 6.502 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.407 -11.191 7.534 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.784 -8.481 8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.311 -9.870 7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.281 -8.735 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.166 -9.205 10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.662 -10.166 10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.195 -10.852 9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.314 -7.636 7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.806 -6.968 8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.822 -8.120 9.443 1.00 0.00 H new ATOM 367 N ASN A 27 -7.222 -10.374 9.011 1.00 0.00 N ATOM 368 CA ASN A 27 -8.275 -10.855 9.898 1.00 0.00 C ATOM 369 C ASN A 27 -8.989 -12.060 9.292 1.00 0.00 C ATOM 370 O ASN A 27 -9.258 -13.045 9.979 1.00 0.00 O ATOM 371 CB ASN A 27 -9.284 -9.739 10.180 1.00 0.00 C ATOM 372 CG ASN A 27 -8.767 -8.734 11.191 1.00 0.00 C ATOM 373 OD1 ASN A 27 -7.590 -8.180 10.926 1.00 0.00 O flip ATOM 374 ND2 ASN A 27 -9.419 -8.460 12.199 1.00 0.00 N flip ATOM 0 H ASN A 27 -7.454 -9.519 8.506 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.812 -11.163 10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.522 -9.224 9.249 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.212 -10.176 10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.319 -8.911 12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.059 -7.782 12.871 1.00 0.00 H new ATOM 381 N TYR A 28 -9.292 -11.973 8.002 1.00 0.00 N ATOM 382 CA TYR A 28 -9.975 -13.055 7.303 1.00 0.00 C ATOM 383 C TYR A 28 -9.494 -14.414 7.800 1.00 0.00 C ATOM 384 O TYR A 28 -8.354 -14.560 8.242 1.00 0.00 O ATOM 385 CB TYR A 28 -9.747 -12.940 5.795 1.00 0.00 C ATOM 386 CG TYR A 28 -10.385 -14.056 4.999 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.833 -15.331 4.985 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.542 -13.836 4.262 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.413 -16.353 4.259 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.130 -14.853 3.534 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.561 -16.109 3.536 1.00 0.00 C ATOM 392 OH TYR A 28 -12.143 -17.125 2.812 1.00 0.00 O ATOM 0 H TYR A 28 -9.076 -11.165 7.419 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.042 -12.970 7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.143 -11.985 5.448 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.675 -12.931 5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.935 -15.526 5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.990 -12.853 4.258 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.970 -17.338 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.030 -14.665 2.967 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.945 -16.787 2.361 1.00 0.00 H new ATOM 402 N LYS A 29 -10.372 -15.409 7.724 1.00 0.00 N ATOM 403 CA LYS A 29 -10.039 -16.759 8.164 1.00 0.00 C ATOM 404 C LYS A 29 -10.491 -17.792 7.137 1.00 0.00 C ATOM 405 O LYS A 29 -11.367 -17.523 6.316 1.00 0.00 O ATOM 406 CB LYS A 29 -10.690 -17.051 9.517 1.00 0.00 C ATOM 407 CG LYS A 29 -12.099 -16.500 9.647 1.00 0.00 C ATOM 408 CD LYS A 29 -13.125 -17.446 9.046 1.00 0.00 C ATOM 409 CE LYS A 29 -14.439 -16.734 8.759 1.00 0.00 C ATOM 410 NZ LYS A 29 -15.128 -16.316 10.011 1.00 0.00 N ATOM 0 H LYS A 29 -11.320 -15.306 7.362 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.956 -16.824 8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.715 -18.129 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.070 -16.629 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.330 -16.332 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.160 -15.532 9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.732 -17.872 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.301 -18.276 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.249 -15.858 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.092 -17.394 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.019 -15.835 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.332 -17.154 10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.515 -15.666 10.544 1.00 0.00 H new ATOM 506 N LEU A 36 -5.175 -17.603 8.602 1.00 0.00 N ATOM 507 CA LEU A 36 -4.074 -17.897 7.690 1.00 0.00 C ATOM 508 C LEU A 36 -2.914 -16.930 7.908 1.00 0.00 C ATOM 509 O LEU A 36 -1.755 -17.340 7.966 1.00 0.00 O ATOM 510 CB LEU A 36 -4.553 -17.818 6.239 1.00 0.00 C ATOM 511 CG LEU A 36 -5.996 -18.255 5.984 1.00 0.00 C ATOM 512 CD1 LEU A 36 -6.943 -17.072 6.115 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.124 -18.894 4.609 1.00 0.00 C ATOM 0 HA LEU A 36 -3.724 -18.908 7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.440 -16.790 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.894 -18.433 5.626 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.269 -18.997 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.965 -17.402 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.872 -16.658 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.672 -16.307 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.157 -19.199 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.832 -18.174 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.474 -19.767 4.552 1.00 0.00 H new ATOM 525 N SER A 37 -3.235 -15.646 8.029 1.00 0.00 N ATOM 526 CA SER A 37 -2.220 -14.621 8.239 1.00 0.00 C ATOM 527 C SER A 37 -1.145 -15.111 9.204 1.00 0.00 C ATOM 528 O SER A 37 0.005 -14.678 9.140 1.00 0.00 O ATOM 529 CB SER A 37 -2.861 -13.341 8.779 1.00 0.00 C ATOM 530 OG SER A 37 -3.356 -13.534 10.093 1.00 0.00 O ATOM 0 H SER A 37 -4.190 -15.291 7.985 1.00 0.00 H new ATOM 0 HA SER A 37 -1.751 -14.407 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.127 -12.535 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.674 -13.033 8.122 1.00 0.00 H new ATOM 0 HG SER A 37 -4.239 -13.116 10.175 1.00 0.00 H new ATOM 536 N GLU A 38 -1.529 -16.017 10.098 1.00 0.00 N ATOM 537 CA GLU A 38 -0.598 -16.565 11.078 1.00 0.00 C ATOM 538 C GLU A 38 0.766 -16.825 10.446 1.00 0.00 C ATOM 539 O GLU A 38 1.745 -16.144 10.753 1.00 0.00 O ATOM 540 CB GLU A 38 -1.153 -17.862 11.671 1.00 0.00 C ATOM 541 CG GLU A 38 -2.089 -17.642 12.847 1.00 0.00 C ATOM 542 CD GLU A 38 -2.363 -18.917 13.621 1.00 0.00 C ATOM 543 OE1 GLU A 38 -1.499 -19.319 14.428 1.00 0.00 O ATOM 544 OE2 GLU A 38 -3.442 -19.512 13.420 1.00 0.00 O ATOM 0 H GLU A 38 -2.477 -16.387 10.164 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.476 -15.832 11.875 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.684 -18.409 10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.322 -18.490 11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.655 -16.900 13.518 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.032 -17.232 12.485 1.00 0.00 H new ATOM 551 N VAL A 39 0.823 -17.815 9.561 1.00 0.00 N ATOM 552 CA VAL A 39 2.067 -18.165 8.884 1.00 0.00 C ATOM 553 C VAL A 39 2.619 -16.980 8.101 1.00 0.00 C ATOM 554 O VAL A 39 3.770 -16.991 7.665 1.00 0.00 O ATOM 555 CB VAL A 39 1.868 -19.353 7.925 1.00 0.00 C ATOM 556 CG1 VAL A 39 1.076 -20.461 8.603 1.00 0.00 C ATOM 557 CG2 VAL A 39 1.177 -18.897 6.649 1.00 0.00 C ATOM 0 H VAL A 39 0.023 -18.389 9.296 1.00 0.00 H new ATOM 0 HA VAL A 39 2.780 -18.448 9.658 1.00 0.00 H new ATOM 0 HB VAL A 39 2.848 -19.750 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.946 -21.292 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.615 -20.806 9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.099 -20.080 8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.044 -19.749 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.203 -18.473 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.788 -18.141 6.155 1.00 0.00 H new ATOM 567 N PHE A 40 1.789 -15.956 7.924 1.00 0.00 N ATOM 568 CA PHE A 40 2.194 -14.762 7.192 1.00 0.00 C ATOM 569 C PHE A 40 2.379 -13.580 8.139 1.00 0.00 C ATOM 570 O PHE A 40 2.414 -12.426 7.710 1.00 0.00 O ATOM 571 CB PHE A 40 1.154 -14.416 6.124 1.00 0.00 C ATOM 572 CG PHE A 40 0.827 -15.563 5.212 1.00 0.00 C ATOM 573 CD1 PHE A 40 1.654 -15.874 4.144 1.00 0.00 C ATOM 574 CD2 PHE A 40 -0.307 -16.331 5.422 1.00 0.00 C ATOM 575 CE1 PHE A 40 1.356 -16.929 3.303 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.609 -17.388 4.584 1.00 0.00 C ATOM 577 CZ PHE A 40 0.222 -17.687 3.523 1.00 0.00 C ATOM 0 H PHE A 40 0.833 -15.930 8.278 1.00 0.00 H new ATOM 0 HA PHE A 40 3.148 -14.969 6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.240 -14.080 6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.522 -13.581 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.542 -15.285 3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.962 -16.101 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.009 -17.161 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.495 -17.980 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.014 -18.511 2.866 1.00 0.00 H new ATOM 587 N ILE A 41 2.498 -13.876 9.429 1.00 0.00 N ATOM 588 CA ILE A 41 2.680 -12.839 10.437 1.00 0.00 C ATOM 589 C ILE A 41 4.133 -12.380 10.497 1.00 0.00 C ATOM 590 O ILE A 41 4.471 -11.295 10.026 1.00 0.00 O ATOM 591 CB ILE A 41 2.250 -13.328 11.832 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.724 -13.369 11.934 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.834 -12.430 12.912 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.060 -12.056 11.582 1.00 0.00 C ATOM 0 H ILE A 41 2.472 -14.826 9.801 1.00 0.00 H new ATOM 0 HA ILE A 41 2.048 -12.000 10.145 1.00 0.00 H new ATOM 0 HB ILE A 41 2.633 -14.338 11.980 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.344 -14.148 11.273 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.443 -13.648 12.949 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.521 -12.789 13.892 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.922 -12.447 12.850 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.478 -11.410 12.769 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.021 -12.158 11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.411 -11.278 12.259 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.311 -11.785 10.557 1.00 0.00 H new ATOM 606 N GLN A 42 4.988 -13.216 11.078 1.00 0.00 N ATOM 607 CA GLN A 42 6.406 -12.896 11.199 1.00 0.00 C ATOM 608 C GLN A 42 7.269 -14.055 10.710 1.00 0.00 C ATOM 609 O GLN A 42 7.270 -15.135 11.302 1.00 0.00 O ATOM 610 CB GLN A 42 6.753 -12.563 12.651 1.00 0.00 C ATOM 611 CG GLN A 42 8.242 -12.636 12.952 1.00 0.00 C ATOM 612 CD GLN A 42 9.083 -11.928 11.909 1.00 0.00 C ATOM 613 OE1 GLN A 42 8.574 -11.133 11.119 1.00 0.00 O ATOM 614 NE2 GLN A 42 10.380 -12.215 11.900 1.00 0.00 N ATOM 0 H GLN A 42 4.724 -14.119 11.472 1.00 0.00 H new ATOM 0 HA GLN A 42 6.611 -12.026 10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.393 -11.560 12.881 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.223 -13.251 13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.433 -12.193 13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.546 -13.681 13.010 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.760 -12.880 12.573 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.996 -11.770 11.220 1.00 0.00 H new ATOM 623 N LEU A 43 8.001 -13.824 9.626 1.00 0.00 N ATOM 624 CA LEU A 43 8.868 -14.849 9.056 1.00 0.00 C ATOM 625 C LEU A 43 9.984 -15.219 10.028 1.00 0.00 C ATOM 626 O LEU A 43 10.311 -14.472 10.950 1.00 0.00 O ATOM 627 CB LEU A 43 9.467 -14.362 7.735 1.00 0.00 C ATOM 628 CG LEU A 43 8.630 -14.621 6.483 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.139 -13.785 5.318 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.647 -16.101 6.127 1.00 0.00 C ATOM 0 H LEU A 43 8.011 -12.936 9.124 1.00 0.00 H new ATOM 0 HA LEU A 43 8.265 -15.737 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.645 -13.289 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.439 -14.837 7.603 1.00 0.00 H new ATOM 0 HG LEU A 43 7.601 -14.329 6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.531 -13.983 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.075 -12.727 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.177 -14.045 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.046 -16.267 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.673 -16.418 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.235 -16.679 6.954 1.00 0.00 H new ATOM 642 N PRO A 44 10.586 -16.399 9.816 1.00 0.00 N ATOM 643 CA PRO A 44 11.677 -16.895 10.662 1.00 0.00 C ATOM 644 C PRO A 44 12.962 -16.095 10.477 1.00 0.00 C ATOM 645 O PRO A 44 13.262 -15.630 9.377 1.00 0.00 O ATOM 646 CB PRO A 44 11.869 -18.336 10.184 1.00 0.00 C ATOM 647 CG PRO A 44 11.372 -18.339 8.779 1.00 0.00 C ATOM 648 CD PRO A 44 10.248 -17.341 8.736 1.00 0.00 C ATOM 0 HA PRO A 44 11.441 -16.812 11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.916 -18.633 10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.309 -19.036 10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.165 -18.064 8.084 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.025 -19.331 8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.192 -16.841 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.282 -17.816 8.905 1.00 0.00 H new ATOM 656 N SER A 45 13.718 -15.941 11.559 1.00 0.00 N ATOM 657 CA SER A 45 14.970 -15.195 11.516 1.00 0.00 C ATOM 658 C SER A 45 15.908 -15.768 10.458 1.00 0.00 C ATOM 659 O SER A 45 15.684 -16.862 9.941 1.00 0.00 O ATOM 660 CB SER A 45 15.651 -15.221 12.886 1.00 0.00 C ATOM 661 OG SER A 45 14.822 -14.644 13.879 1.00 0.00 O ATOM 0 H SER A 45 13.486 -16.323 12.476 1.00 0.00 H new ATOM 0 HA SER A 45 14.740 -14.163 11.252 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.888 -16.250 13.158 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.595 -14.679 12.836 1.00 0.00 H new ATOM 0 HG SER A 45 15.279 -14.674 14.745 1.00 0.00 H new ATOM 667 N ARG A 46 16.960 -15.019 10.141 1.00 0.00 N ATOM 668 CA ARG A 46 17.932 -15.451 9.143 1.00 0.00 C ATOM 669 C ARG A 46 18.913 -16.456 9.740 1.00 0.00 C ATOM 670 O ARG A 46 19.239 -17.467 9.117 1.00 0.00 O ATOM 671 CB ARG A 46 18.694 -14.246 8.588 1.00 0.00 C ATOM 672 CG ARG A 46 17.889 -13.420 7.598 1.00 0.00 C ATOM 673 CD ARG A 46 18.642 -12.168 7.176 1.00 0.00 C ATOM 674 NE ARG A 46 19.033 -11.352 8.323 1.00 0.00 N ATOM 675 CZ ARG A 46 19.920 -10.366 8.254 1.00 0.00 C ATOM 676 NH1 ARG A 46 20.505 -10.074 7.100 1.00 0.00 N ATOM 677 NH2 ARG A 46 20.225 -9.669 9.342 1.00 0.00 N ATOM 0 H ARG A 46 17.161 -14.111 10.560 1.00 0.00 H new ATOM 0 HA ARG A 46 17.391 -15.936 8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.000 -13.607 9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.605 -14.595 8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 46 17.662 -14.023 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 46 16.936 -13.139 8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.531 -12.452 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.017 -11.577 6.507 1.00 0.00 H new ATOM 0 HE ARG A 46 18.601 -11.550 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.274 -10.607 6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.186 -9.316 7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.778 -9.891 10.232 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.906 -8.912 9.288 1.00 0.00 H new ATOM 691 N LYS A 47 19.381 -16.171 10.950 1.00 0.00 N ATOM 692 CA LYS A 47 20.324 -17.049 11.632 1.00 0.00 C ATOM 693 C LYS A 47 19.733 -18.443 11.818 1.00 0.00 C ATOM 694 O LYS A 47 20.464 -19.429 11.914 1.00 0.00 O ATOM 695 CB LYS A 47 20.708 -16.461 12.992 1.00 0.00 C ATOM 696 CG LYS A 47 21.881 -17.167 13.650 1.00 0.00 C ATOM 697 CD LYS A 47 21.886 -16.956 15.155 1.00 0.00 C ATOM 698 CE LYS A 47 22.674 -15.714 15.541 1.00 0.00 C ATOM 699 NZ LYS A 47 21.822 -14.493 15.540 1.00 0.00 N ATOM 0 H LYS A 47 19.122 -15.338 11.479 1.00 0.00 H new ATOM 0 HA LYS A 47 21.217 -17.132 11.013 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.953 -15.406 12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.845 -16.511 13.657 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.834 -18.234 13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.814 -16.796 13.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.861 -16.864 15.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 22.318 -17.829 15.644 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.108 -15.853 16.531 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.502 -15.579 14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 22.345 -13.705 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.956 -14.674 14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 21.568 -14.246 16.518 1.00 0.00 H new ATOM 713 N GLU A 48 18.407 -18.517 11.867 1.00 0.00 N ATOM 714 CA GLU A 48 17.719 -19.791 12.040 1.00 0.00 C ATOM 715 C GLU A 48 17.340 -20.393 10.690 1.00 0.00 C ATOM 716 O GLU A 48 17.653 -21.550 10.404 1.00 0.00 O ATOM 717 CB GLU A 48 16.466 -19.607 12.899 1.00 0.00 C ATOM 718 CG GLU A 48 16.730 -18.902 14.219 1.00 0.00 C ATOM 719 CD GLU A 48 15.610 -19.102 15.221 1.00 0.00 C ATOM 720 OE1 GLU A 48 14.431 -19.016 14.818 1.00 0.00 O ATOM 721 OE2 GLU A 48 15.912 -19.344 16.409 1.00 0.00 O ATOM 0 H GLU A 48 17.788 -17.710 11.789 1.00 0.00 H new ATOM 0 HA GLU A 48 18.400 -20.476 12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.729 -19.037 12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.027 -20.584 13.100 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.663 -19.272 14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.863 -17.836 14.037 1.00 0.00 H new ATOM 728 N LEU A 49 16.664 -19.602 9.865 1.00 0.00 N ATOM 729 CA LEU A 49 16.241 -20.056 8.545 1.00 0.00 C ATOM 730 C LEU A 49 16.815 -19.160 7.452 1.00 0.00 C ATOM 731 O LEU A 49 16.098 -18.406 6.793 1.00 0.00 O ATOM 732 CB LEU A 49 14.714 -20.075 8.455 1.00 0.00 C ATOM 733 CG LEU A 49 14.126 -20.518 7.115 1.00 0.00 C ATOM 734 CD1 LEU A 49 14.783 -21.806 6.644 1.00 0.00 C ATOM 735 CD2 LEU A 49 12.619 -20.695 7.227 1.00 0.00 C ATOM 0 H LEU A 49 16.397 -18.643 10.087 1.00 0.00 H new ATOM 0 HA LEU A 49 16.620 -21.067 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.332 -20.736 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.344 -19.074 8.678 1.00 0.00 H new ATOM 0 HG LEU A 49 14.326 -19.741 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.352 -22.106 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.854 -21.645 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.614 -22.591 7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.217 -21.010 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.396 -21.452 7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.162 -19.749 7.518 1.00 0.00 H new ATOM 747 N PRO A 50 18.138 -19.244 7.251 1.00 0.00 N ATOM 748 CA PRO A 50 18.837 -18.450 6.236 1.00 0.00 C ATOM 749 C PRO A 50 18.495 -18.893 4.817 1.00 0.00 C ATOM 750 O PRO A 50 18.136 -18.074 3.972 1.00 0.00 O ATOM 751 CB PRO A 50 20.315 -18.713 6.536 1.00 0.00 C ATOM 752 CG PRO A 50 20.334 -20.039 7.215 1.00 0.00 C ATOM 753 CD PRO A 50 19.054 -20.121 7.999 1.00 0.00 C ATOM 0 HA PRO A 50 18.560 -17.397 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 50 20.908 -18.728 5.621 1.00 0.00 H new ATOM 0 HB3 PRO A 50 20.734 -17.935 7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.399 -20.849 6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.200 -20.129 7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 50 18.679 -21.143 8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.189 -19.779 9.025 1.00 0.00 H new ATOM 761 N GLU A 51 18.609 -20.193 4.564 1.00 0.00 N ATOM 762 CA GLU A 51 18.312 -20.742 3.247 1.00 0.00 C ATOM 763 C GLU A 51 17.110 -20.040 2.622 1.00 0.00 C ATOM 764 O GLU A 51 17.128 -19.684 1.444 1.00 0.00 O ATOM 765 CB GLU A 51 18.043 -22.246 3.345 1.00 0.00 C ATOM 766 CG GLU A 51 17.128 -22.626 4.497 1.00 0.00 C ATOM 767 CD GLU A 51 17.102 -24.120 4.752 1.00 0.00 C ATOM 768 OE1 GLU A 51 16.981 -24.888 3.775 1.00 0.00 O ATOM 769 OE2 GLU A 51 17.203 -24.522 5.930 1.00 0.00 O ATOM 0 H GLU A 51 18.905 -20.885 5.253 1.00 0.00 H new ATOM 0 HA GLU A 51 19.180 -20.576 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.599 -22.589 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.992 -22.770 3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.456 -22.112 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.117 -22.280 4.282 1.00 0.00 H new ATOM 776 N TYR A 52 16.067 -19.844 3.421 1.00 0.00 N ATOM 777 CA TYR A 52 14.854 -19.187 2.947 1.00 0.00 C ATOM 778 C TYR A 52 15.180 -17.848 2.294 1.00 0.00 C ATOM 779 O TYR A 52 14.662 -17.523 1.225 1.00 0.00 O ATOM 780 CB TYR A 52 13.877 -18.978 4.105 1.00 0.00 C ATOM 781 CG TYR A 52 12.603 -18.269 3.702 1.00 0.00 C ATOM 782 CD1 TYR A 52 12.549 -16.883 3.632 1.00 0.00 C ATOM 783 CD2 TYR A 52 11.454 -18.986 3.393 1.00 0.00 C ATOM 784 CE1 TYR A 52 11.388 -16.231 3.264 1.00 0.00 C ATOM 785 CE2 TYR A 52 10.289 -18.343 3.024 1.00 0.00 C ATOM 786 CZ TYR A 52 10.260 -16.965 2.961 1.00 0.00 C ATOM 787 OH TYR A 52 9.101 -16.321 2.595 1.00 0.00 O ATOM 0 H TYR A 52 16.037 -20.130 4.399 1.00 0.00 H new ATOM 0 HA TYR A 52 14.390 -19.831 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.623 -19.947 4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.372 -18.402 4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.430 -16.305 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.472 -20.065 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.364 -15.152 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.405 -18.916 2.786 1.00 0.00 H new ATOM 0 HH TYR A 52 8.402 -16.983 2.414 1.00 0.00 H new ATOM 797 N TYR A 53 16.043 -17.075 2.944 1.00 0.00 N ATOM 798 CA TYR A 53 16.438 -15.769 2.428 1.00 0.00 C ATOM 799 C TYR A 53 17.372 -15.916 1.230 1.00 0.00 C ATOM 800 O TYR A 53 17.684 -14.939 0.550 1.00 0.00 O ATOM 801 CB TYR A 53 17.122 -14.950 3.524 1.00 0.00 C ATOM 802 CG TYR A 53 16.176 -14.473 4.603 1.00 0.00 C ATOM 803 CD1 TYR A 53 15.764 -15.325 5.620 1.00 0.00 C ATOM 804 CD2 TYR A 53 15.696 -13.169 4.605 1.00 0.00 C ATOM 805 CE1 TYR A 53 14.899 -14.893 6.607 1.00 0.00 C ATOM 806 CE2 TYR A 53 14.832 -12.728 5.589 1.00 0.00 C ATOM 807 CZ TYR A 53 14.436 -13.594 6.587 1.00 0.00 C ATOM 808 OH TYR A 53 13.576 -13.160 7.569 1.00 0.00 O ATOM 0 H TYR A 53 16.482 -17.330 3.829 1.00 0.00 H new ATOM 0 HA TYR A 53 15.538 -15.248 2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 53 17.906 -15.554 3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.608 -14.086 3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.126 -16.342 5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.003 -12.489 3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.587 -15.569 7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.469 -11.711 5.577 1.00 0.00 H new ATOM 0 HH TYR A 53 13.410 -13.888 8.204 1.00 0.00 H new ATOM 818 N GLU A 54 17.812 -17.145 0.979 1.00 0.00 N ATOM 819 CA GLU A 54 18.710 -17.421 -0.137 1.00 0.00 C ATOM 820 C GLU A 54 17.929 -17.570 -1.440 1.00 0.00 C ATOM 821 O GLU A 54 18.290 -16.987 -2.463 1.00 0.00 O ATOM 822 CB GLU A 54 19.520 -18.691 0.133 1.00 0.00 C ATOM 823 CG GLU A 54 20.217 -18.692 1.483 1.00 0.00 C ATOM 824 CD GLU A 54 21.181 -17.533 1.643 1.00 0.00 C ATOM 825 OE1 GLU A 54 20.722 -16.422 1.980 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.395 -17.737 1.431 1.00 0.00 O ATOM 0 H GLU A 54 17.562 -17.965 1.532 1.00 0.00 H new ATOM 0 HA GLU A 54 19.393 -16.578 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.857 -19.554 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.267 -18.810 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.468 -18.649 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.758 -19.630 1.607 1.00 0.00 H new ATOM 833 N LEU A 55 16.858 -18.354 -1.394 1.00 0.00 N ATOM 834 CA LEU A 55 16.025 -18.581 -2.570 1.00 0.00 C ATOM 835 C LEU A 55 15.030 -17.441 -2.761 1.00 0.00 C ATOM 836 O LEU A 55 14.699 -17.076 -3.889 1.00 0.00 O ATOM 837 CB LEU A 55 15.278 -19.910 -2.441 1.00 0.00 C ATOM 838 CG LEU A 55 14.967 -20.370 -1.016 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.677 -21.175 -0.984 1.00 0.00 C ATOM 840 CD2 LEU A 55 16.122 -21.187 -0.456 1.00 0.00 C ATOM 0 H LEU A 55 16.546 -18.843 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 55 16.675 -18.620 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.339 -19.831 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.868 -20.685 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 55 14.835 -19.487 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.472 -21.494 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.854 -20.558 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.779 -22.052 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.884 -21.506 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.285 -22.063 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.026 -20.578 -0.442 1.00 0.00 H new ATOM 852 N ILE A 56 14.559 -16.882 -1.652 1.00 0.00 N ATOM 853 CA ILE A 56 13.605 -15.781 -1.697 1.00 0.00 C ATOM 854 C ILE A 56 14.288 -14.478 -2.100 1.00 0.00 C ATOM 855 O ILE A 56 15.385 -14.171 -1.634 1.00 0.00 O ATOM 856 CB ILE A 56 12.907 -15.583 -0.339 1.00 0.00 C ATOM 857 CG1 ILE A 56 12.088 -16.824 0.023 1.00 0.00 C ATOM 858 CG2 ILE A 56 12.021 -14.347 -0.373 1.00 0.00 C ATOM 859 CD1 ILE A 56 11.057 -17.192 -1.021 1.00 0.00 C ATOM 0 H ILE A 56 14.823 -17.173 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 56 12.857 -16.043 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 56 13.669 -15.437 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.764 -17.667 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.585 -16.653 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.535 -14.221 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.629 -13.469 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.263 -14.464 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.514 -18.080 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.358 -16.366 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.555 -17.395 -1.969 1.00 0.00 H new ATOM 871 N ARG A 57 13.630 -13.715 -2.967 1.00 0.00 N ATOM 872 CA ARG A 57 14.173 -12.445 -3.432 1.00 0.00 C ATOM 873 C ARG A 57 13.849 -11.323 -2.450 1.00 0.00 C ATOM 874 O ARG A 57 14.747 -10.686 -1.899 1.00 0.00 O ATOM 875 CB ARG A 57 13.616 -12.103 -4.815 1.00 0.00 C ATOM 876 CG ARG A 57 13.922 -13.152 -5.871 1.00 0.00 C ATOM 877 CD ARG A 57 15.239 -12.865 -6.576 1.00 0.00 C ATOM 878 NE ARG A 57 15.456 -13.754 -7.714 1.00 0.00 N ATOM 879 CZ ARG A 57 16.400 -13.561 -8.628 1.00 0.00 C ATOM 880 NH1 ARG A 57 17.211 -12.516 -8.538 1.00 0.00 N ATOM 881 NH2 ARG A 57 16.536 -14.415 -9.634 1.00 0.00 N ATOM 0 H ARG A 57 12.720 -13.955 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 57 15.256 -12.545 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.536 -11.978 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.027 -11.146 -5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.964 -14.137 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.115 -13.180 -6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.249 -11.830 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 57 16.061 -12.975 -5.868 1.00 0.00 H new ATOM 0 HE ARG A 57 14.849 -14.568 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 57 17.111 -11.858 -7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.935 -12.370 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.915 -15.221 -9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 57 17.261 -14.266 -10.335 1.00 0.00 H new ATOM 895 N LYS A 58 12.559 -11.086 -2.235 1.00 0.00 N ATOM 896 CA LYS A 58 12.114 -10.042 -1.319 1.00 0.00 C ATOM 897 C LYS A 58 11.165 -10.608 -0.268 1.00 0.00 C ATOM 898 O LYS A 58 9.943 -10.571 -0.416 1.00 0.00 O ATOM 899 CB LYS A 58 11.423 -8.917 -2.093 1.00 0.00 C ATOM 900 CG LYS A 58 12.331 -8.217 -3.090 1.00 0.00 C ATOM 901 CD LYS A 58 11.790 -6.850 -3.472 1.00 0.00 C ATOM 902 CE LYS A 58 12.251 -6.436 -4.861 1.00 0.00 C ATOM 903 NZ LYS A 58 11.799 -5.061 -5.209 1.00 0.00 N ATOM 0 H LYS A 58 11.803 -11.603 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 58 12.991 -9.640 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.563 -9.327 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.040 -8.182 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.328 -8.108 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.433 -8.832 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.701 -6.867 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.120 -6.110 -2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.339 -6.484 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.866 -7.142 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.133 -4.817 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.760 -5.021 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.187 -4.384 -4.522 1.00 0.00 H new ATOM 917 N PRO A 59 11.737 -11.145 0.820 1.00 0.00 N ATOM 918 CA PRO A 59 10.960 -11.727 1.917 1.00 0.00 C ATOM 919 C PRO A 59 10.203 -10.672 2.716 1.00 0.00 C ATOM 920 O PRO A 59 10.793 -9.937 3.508 1.00 0.00 O ATOM 921 CB PRO A 59 12.024 -12.397 2.790 1.00 0.00 C ATOM 922 CG PRO A 59 13.277 -11.644 2.503 1.00 0.00 C ATOM 923 CD PRO A 59 13.188 -11.224 1.062 1.00 0.00 C ATOM 0 HA PRO A 59 10.194 -12.412 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.762 -12.342 3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.131 -13.453 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.369 -10.777 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.155 -12.267 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.677 -10.265 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.667 -11.947 0.402 1.00 0.00 H new ATOM 931 N VAL A 60 8.893 -10.601 2.503 1.00 0.00 N ATOM 932 CA VAL A 60 8.055 -9.636 3.204 1.00 0.00 C ATOM 933 C VAL A 60 6.938 -10.333 3.972 1.00 0.00 C ATOM 934 O VAL A 60 6.617 -11.492 3.706 1.00 0.00 O ATOM 935 CB VAL A 60 7.435 -8.618 2.229 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.294 -9.253 1.448 1.00 0.00 C ATOM 937 CG2 VAL A 60 6.956 -7.385 2.979 1.00 0.00 C ATOM 0 H VAL A 60 8.389 -11.201 1.850 1.00 0.00 H new ATOM 0 HA VAL A 60 8.700 -9.109 3.906 1.00 0.00 H new ATOM 0 HB VAL A 60 8.202 -8.308 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.868 -8.519 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.671 -10.103 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.524 -9.593 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.521 -6.677 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.204 -7.675 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.799 -6.918 3.488 1.00 0.00 H new ATOM 947 N ASP A 61 6.349 -9.620 4.926 1.00 0.00 N ATOM 948 CA ASP A 61 5.266 -10.170 5.733 1.00 0.00 C ATOM 949 C ASP A 61 4.281 -9.077 6.136 1.00 0.00 C ATOM 950 O ASP A 61 4.480 -7.902 5.827 1.00 0.00 O ATOM 951 CB ASP A 61 5.827 -10.854 6.980 1.00 0.00 C ATOM 952 CG ASP A 61 6.685 -12.058 6.644 1.00 0.00 C ATOM 953 OD1 ASP A 61 6.290 -12.836 5.750 1.00 0.00 O ATOM 954 OD2 ASP A 61 7.750 -12.224 7.275 1.00 0.00 O ATOM 0 H ASP A 61 6.603 -8.660 5.159 1.00 0.00 H new ATOM 0 HA ASP A 61 4.736 -10.908 5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.419 -10.137 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.003 -11.167 7.621 1.00 0.00 H new ATOM 959 N PHE A 62 3.217 -9.473 6.828 1.00 0.00 N ATOM 960 CA PHE A 62 2.199 -8.528 7.272 1.00 0.00 C ATOM 961 C PHE A 62 2.804 -7.470 8.191 1.00 0.00 C ATOM 962 O PHE A 62 2.701 -6.271 7.929 1.00 0.00 O ATOM 963 CB PHE A 62 1.071 -9.264 7.998 1.00 0.00 C ATOM 964 CG PHE A 62 0.006 -9.786 7.076 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.573 -8.959 6.126 1.00 0.00 C ATOM 966 CD2 PHE A 62 -0.416 -11.103 7.158 1.00 0.00 C ATOM 967 CE1 PHE A 62 -1.553 -9.436 5.278 1.00 0.00 C ATOM 968 CE2 PHE A 62 -1.396 -11.586 6.311 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.965 -10.752 5.369 1.00 0.00 C ATOM 0 H PHE A 62 3.038 -10.441 7.093 1.00 0.00 H new ATOM 0 HA PHE A 62 1.792 -8.031 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.494 -10.097 8.560 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.615 -8.589 8.722 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.254 -7.930 6.048 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.026 -11.760 7.892 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.997 -8.781 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.716 -12.615 6.386 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.730 -11.127 4.705 1.00 0.00 H new ATOM 979 N LYS A 63 3.435 -7.922 9.269 1.00 0.00 N ATOM 980 CA LYS A 63 4.057 -7.016 10.228 1.00 0.00 C ATOM 981 C LYS A 63 4.949 -6.002 9.519 1.00 0.00 C ATOM 982 O LYS A 63 5.182 -4.904 10.024 1.00 0.00 O ATOM 983 CB LYS A 63 4.878 -7.807 11.249 1.00 0.00 C ATOM 984 CG LYS A 63 4.065 -8.297 12.435 1.00 0.00 C ATOM 985 CD LYS A 63 4.741 -9.467 13.129 1.00 0.00 C ATOM 986 CE LYS A 63 5.969 -9.019 13.908 1.00 0.00 C ATOM 987 NZ LYS A 63 6.251 -9.917 15.062 1.00 0.00 N ATOM 0 H LYS A 63 3.529 -8.911 9.501 1.00 0.00 H new ATOM 0 HA LYS A 63 3.265 -6.476 10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.332 -8.664 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.693 -7.180 11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.928 -7.481 13.145 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.073 -8.597 12.098 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.035 -9.947 13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.030 -10.213 12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.833 -8.999 13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.820 -8.001 14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.581 -9.351 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.383 -10.425 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.987 -10.603 14.797 1.00 0.00 H new ATOM 1001 N LYS A 64 5.444 -6.376 8.344 1.00 0.00 N ATOM 1002 CA LYS A 64 6.308 -5.499 7.563 1.00 0.00 C ATOM 1003 C LYS A 64 5.485 -4.491 6.769 1.00 0.00 C ATOM 1004 O LYS A 64 5.711 -3.283 6.857 1.00 0.00 O ATOM 1005 CB LYS A 64 7.181 -6.323 6.613 1.00 0.00 C ATOM 1006 CG LYS A 64 8.501 -6.760 7.223 1.00 0.00 C ATOM 1007 CD LYS A 64 9.450 -5.586 7.400 1.00 0.00 C ATOM 1008 CE LYS A 64 10.218 -5.294 6.120 1.00 0.00 C ATOM 1009 NZ LYS A 64 11.078 -4.086 6.253 1.00 0.00 N ATOM 0 H LYS A 64 5.261 -7.281 7.911 1.00 0.00 H new ATOM 0 HA LYS A 64 6.950 -4.953 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.626 -7.207 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.382 -5.736 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.318 -7.230 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.966 -7.512 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.886 -4.702 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.152 -5.802 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.837 -6.154 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.515 -5.151 5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.585 -3.921 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.485 -3.260 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.766 -4.232 7.019 1.00 0.00 H new ATOM 1023 N ILE A 65 4.529 -4.993 5.995 1.00 0.00 N ATOM 1024 CA ILE A 65 3.670 -4.135 5.187 1.00 0.00 C ATOM 1025 C ILE A 65 3.052 -3.026 6.031 1.00 0.00 C ATOM 1026 O ILE A 65 2.995 -1.870 5.613 1.00 0.00 O ATOM 1027 CB ILE A 65 2.544 -4.941 4.513 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.133 -6.016 3.598 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.627 -4.014 3.728 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.116 -7.032 3.126 1.00 0.00 C ATOM 0 H ILE A 65 4.329 -5.990 5.910 1.00 0.00 H new ATOM 0 HA ILE A 65 4.300 -3.693 4.416 1.00 0.00 H new ATOM 0 HB ILE A 65 1.956 -5.433 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.584 -5.535 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.933 -6.534 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.836 -4.598 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.185 -3.282 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.203 -3.497 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.604 -7.763 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.682 -7.540 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.328 -6.526 2.568 1.00 0.00 H new ATOM 1042 N LYS A 66 2.590 -3.386 7.224 1.00 0.00 N ATOM 1043 CA LYS A 66 1.978 -2.421 8.131 1.00 0.00 C ATOM 1044 C LYS A 66 2.973 -1.334 8.522 1.00 0.00 C ATOM 1045 O LYS A 66 2.716 -0.146 8.330 1.00 0.00 O ATOM 1046 CB LYS A 66 1.459 -3.128 9.385 1.00 0.00 C ATOM 1047 CG LYS A 66 0.301 -4.073 9.116 1.00 0.00 C ATOM 1048 CD LYS A 66 -1.037 -3.360 9.221 1.00 0.00 C ATOM 1049 CE LYS A 66 -2.135 -4.300 9.694 1.00 0.00 C ATOM 1050 NZ LYS A 66 -2.261 -4.304 11.178 1.00 0.00 N ATOM 0 H LYS A 66 2.628 -4.339 7.585 1.00 0.00 H new ATOM 0 HA LYS A 66 1.141 -1.952 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.276 -3.688 9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.144 -2.378 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.407 -4.505 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.331 -4.898 9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.951 -2.523 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.306 -2.944 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.085 -4.002 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.923 -5.311 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.020 -4.957 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.363 -4.613 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.488 -3.345 11.510 1.00 0.00 H new ATOM 1064 N GLU A 67 4.111 -1.749 9.069 1.00 0.00 N ATOM 1065 CA GLU A 67 5.145 -0.809 9.486 1.00 0.00 C ATOM 1066 C GLU A 67 5.535 0.116 8.337 1.00 0.00 C ATOM 1067 O GLU A 67 6.028 1.222 8.557 1.00 0.00 O ATOM 1068 CB GLU A 67 6.379 -1.563 9.988 1.00 0.00 C ATOM 1069 CG GLU A 67 7.582 -0.668 10.232 1.00 0.00 C ATOM 1070 CD GLU A 67 7.478 0.109 11.530 1.00 0.00 C ATOM 1071 OE1 GLU A 67 6.348 0.266 12.038 1.00 0.00 O ATOM 1072 OE2 GLU A 67 8.526 0.560 12.038 1.00 0.00 O ATOM 0 H GLU A 67 4.340 -2.729 9.234 1.00 0.00 H new ATOM 0 HA GLU A 67 4.742 -0.203 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.127 -2.079 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.648 -2.328 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.486 -1.277 10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.684 0.031 9.402 1.00 0.00 H new ATOM 1079 N ARG A 68 5.309 -0.345 7.111 1.00 0.00 N ATOM 1080 CA ARG A 68 5.638 0.439 5.927 1.00 0.00 C ATOM 1081 C ARG A 68 4.575 1.503 5.668 1.00 0.00 C ATOM 1082 O ARG A 68 4.875 2.582 5.157 1.00 0.00 O ATOM 1083 CB ARG A 68 5.771 -0.472 4.706 1.00 0.00 C ATOM 1084 CG ARG A 68 5.742 0.274 3.382 1.00 0.00 C ATOM 1085 CD ARG A 68 7.140 0.672 2.936 1.00 0.00 C ATOM 1086 NE ARG A 68 7.116 1.506 1.737 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.206 1.862 1.068 1.00 0.00 C ATOM 1088 NH1 ARG A 68 9.401 1.460 1.478 1.00 0.00 N ATOM 1089 NH2 ARG A 68 8.103 2.623 -0.015 1.00 0.00 N ATOM 0 H ARG A 68 4.899 -1.258 6.912 1.00 0.00 H new ATOM 0 HA ARG A 68 6.591 0.937 6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.705 -1.029 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.962 -1.203 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.281 -0.354 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.122 1.165 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.638 1.211 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.728 -0.225 2.742 1.00 0.00 H new ATOM 0 HE ARG A 68 6.212 1.833 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.485 0.875 2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.237 1.735 0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.186 2.935 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.941 2.896 -0.528 1.00 0.00 H new ATOM 1103 N ILE A 69 3.333 1.190 6.023 1.00 0.00 N ATOM 1104 CA ILE A 69 2.227 2.119 5.829 1.00 0.00 C ATOM 1105 C ILE A 69 2.234 3.212 6.892 1.00 0.00 C ATOM 1106 O ILE A 69 2.296 4.400 6.576 1.00 0.00 O ATOM 1107 CB ILE A 69 0.869 1.393 5.863 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.849 0.254 4.842 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -0.263 2.373 5.595 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.144 -0.838 5.173 1.00 0.00 C ATOM 0 H ILE A 69 3.068 0.301 6.446 1.00 0.00 H new ATOM 0 HA ILE A 69 2.363 2.571 4.846 1.00 0.00 H new ATOM 0 HB ILE A 69 0.726 0.967 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.613 0.662 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.846 -0.181 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.216 1.845 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.258 3.152 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.127 2.826 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.103 -1.612 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.103 -1.273 6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.149 -0.417 5.210 1.00 0.00 H new ATOM 1122 N ARG A 70 2.171 2.801 8.155 1.00 0.00 N ATOM 1123 CA ARG A 70 2.170 3.745 9.266 1.00 0.00 C ATOM 1124 C ARG A 70 3.407 4.638 9.222 1.00 0.00 C ATOM 1125 O ARG A 70 3.466 5.666 9.894 1.00 0.00 O ATOM 1126 CB ARG A 70 2.117 2.996 10.599 1.00 0.00 C ATOM 1127 CG ARG A 70 3.467 2.470 11.057 1.00 0.00 C ATOM 1128 CD ARG A 70 3.358 1.734 12.383 1.00 0.00 C ATOM 1129 NE ARG A 70 3.043 2.637 13.487 1.00 0.00 N ATOM 1130 CZ ARG A 70 2.493 2.240 14.628 1.00 0.00 C ATOM 1131 NH1 ARG A 70 2.199 0.961 14.816 1.00 0.00 N ATOM 1132 NH2 ARG A 70 2.238 3.122 15.586 1.00 0.00 N ATOM 0 H ARG A 70 2.120 1.821 8.434 1.00 0.00 H new ATOM 0 HA ARG A 70 1.285 4.374 9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.717 3.662 11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.423 2.161 10.509 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.873 1.799 10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.167 3.300 11.157 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.586 0.968 12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.297 1.221 12.591 1.00 0.00 H new ATOM 0 HE ARG A 70 3.258 3.628 13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.395 0.279 14.083 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.776 0.659 15.694 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.465 4.107 15.446 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.815 2.815 16.462 1.00 0.00 H new ATOM 1146 N ASN A 71 4.392 4.236 8.425 1.00 0.00 N ATOM 1147 CA ASN A 71 5.628 4.999 8.294 1.00 0.00 C ATOM 1148 C ASN A 71 5.564 5.934 7.090 1.00 0.00 C ATOM 1149 O ASN A 71 6.575 6.505 6.679 1.00 0.00 O ATOM 1150 CB ASN A 71 6.823 4.054 8.157 1.00 0.00 C ATOM 1151 CG ASN A 71 7.397 3.649 9.501 1.00 0.00 C ATOM 1152 OD1 ASN A 71 6.632 2.875 10.262 1.00 0.00 O flip ATOM 1153 ND2 ASN A 71 8.515 4.028 9.850 1.00 0.00 N flip ATOM 0 H ASN A 71 4.358 3.387 7.861 1.00 0.00 H new ATOM 0 HA ASN A 71 5.751 5.602 9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.516 3.161 7.612 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.599 4.538 7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.068 4.622 9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.888 3.748 10.757 1.00 0.00 H new ATOM 1160 N HIS A 72 4.369 6.087 6.528 1.00 0.00 N ATOM 1161 CA HIS A 72 4.173 6.954 5.372 1.00 0.00 C ATOM 1162 C HIS A 72 5.199 6.650 4.285 1.00 0.00 C ATOM 1163 O HIS A 72 5.598 7.536 3.528 1.00 0.00 O ATOM 1164 CB HIS A 72 4.271 8.423 5.787 1.00 0.00 C ATOM 1165 CG HIS A 72 3.584 8.727 7.082 1.00 0.00 C ATOM 1166 ND1 HIS A 72 2.219 8.885 7.191 1.00 0.00 N ATOM 1167 CD2 HIS A 72 4.082 8.900 8.329 1.00 0.00 C ATOM 1168 CE1 HIS A 72 1.907 9.144 8.448 1.00 0.00 C ATOM 1169 NE2 HIS A 72 3.019 9.158 9.159 1.00 0.00 N ATOM 0 H HIS A 72 3.522 5.622 6.855 1.00 0.00 H new ATOM 0 HA HIS A 72 3.178 6.764 4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.322 8.699 5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.839 9.043 5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.121 8.845 8.617 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.911 9.315 8.829 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.079 9.332 10.162 1.00 0.00 H new ATOM 1178 N LYS A 73 5.624 5.393 4.213 1.00 0.00 N ATOM 1179 CA LYS A 73 6.603 4.971 3.219 1.00 0.00 C ATOM 1180 C LYS A 73 5.944 4.765 1.859 1.00 0.00 C ATOM 1181 O LYS A 73 6.619 4.728 0.830 1.00 0.00 O ATOM 1182 CB LYS A 73 7.289 3.679 3.666 1.00 0.00 C ATOM 1183 CG LYS A 73 8.023 3.806 4.990 1.00 0.00 C ATOM 1184 CD LYS A 73 9.472 4.216 4.788 1.00 0.00 C ATOM 1185 CE LYS A 73 9.636 5.727 4.846 1.00 0.00 C ATOM 1186 NZ LYS A 73 9.917 6.202 6.230 1.00 0.00 N ATOM 0 H LYS A 73 5.305 4.648 4.832 1.00 0.00 H new ATOM 0 HA LYS A 73 7.351 5.759 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.541 2.890 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.996 3.368 2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.520 4.542 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.984 2.855 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.093 3.752 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.825 3.847 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.449 6.030 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.730 6.205 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.022 7.237 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.130 5.936 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.796 5.766 6.575 1.00 0.00 H new ATOM 1200 N TYR A 74 4.622 4.634 1.862 1.00 0.00 N ATOM 1201 CA TYR A 74 3.872 4.431 0.628 1.00 0.00 C ATOM 1202 C TYR A 74 3.459 5.766 0.015 1.00 0.00 C ATOM 1203 O TYR A 74 3.343 6.773 0.714 1.00 0.00 O ATOM 1204 CB TYR A 74 2.632 3.575 0.895 1.00 0.00 C ATOM 1205 CG TYR A 74 2.924 2.094 0.970 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.706 1.470 0.006 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.417 1.318 2.005 1.00 0.00 C ATOM 1208 CE1 TYR A 74 3.974 0.117 0.070 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.681 -0.037 2.078 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.460 -0.632 1.107 1.00 0.00 C ATOM 1211 OH TYR A 74 3.726 -1.981 1.175 1.00 0.00 O ATOM 0 H TYR A 74 4.048 4.665 2.705 1.00 0.00 H new ATOM 0 HA TYR A 74 4.519 3.912 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.175 3.895 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.901 3.753 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.111 2.053 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.806 1.781 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.583 -0.352 -0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.280 -0.626 2.890 1.00 0.00 H new ATOM 0 HH TYR A 74 4.049 -2.206 2.073 1.00 0.00 H new ATOM 1221 N ARG A 75 3.239 5.765 -1.296 1.00 0.00 N ATOM 1222 CA ARG A 75 2.840 6.975 -2.004 1.00 0.00 C ATOM 1223 C ARG A 75 1.422 6.842 -2.552 1.00 0.00 C ATOM 1224 O ARG A 75 0.657 7.806 -2.562 1.00 0.00 O ATOM 1225 CB ARG A 75 3.814 7.267 -3.147 1.00 0.00 C ATOM 1226 CG ARG A 75 5.200 7.679 -2.677 1.00 0.00 C ATOM 1227 CD ARG A 75 6.261 7.352 -3.715 1.00 0.00 C ATOM 1228 NE ARG A 75 7.531 8.012 -3.426 1.00 0.00 N ATOM 1229 CZ ARG A 75 7.710 9.326 -3.501 1.00 0.00 C ATOM 1230 NH1 ARG A 75 6.705 10.116 -3.853 1.00 0.00 N ATOM 1231 NH2 ARG A 75 8.896 9.853 -3.223 1.00 0.00 N ATOM 0 H ARG A 75 3.330 4.940 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 75 2.861 7.804 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.901 6.380 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.401 8.059 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.211 8.749 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.435 7.169 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.413 6.273 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.910 7.657 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 75 8.324 7.432 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.792 9.715 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.845 11.125 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.672 9.249 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.032 10.862 -3.281 1.00 0.00 H new ATOM 1245 N SER A 76 1.079 5.641 -3.007 1.00 0.00 N ATOM 1246 CA SER A 76 -0.245 5.383 -3.560 1.00 0.00 C ATOM 1247 C SER A 76 -0.705 3.967 -3.229 1.00 0.00 C ATOM 1248 O SER A 76 0.100 3.036 -3.176 1.00 0.00 O ATOM 1249 CB SER A 76 -0.236 5.587 -5.076 1.00 0.00 C ATOM 1250 OG SER A 76 -1.553 5.732 -5.579 1.00 0.00 O ATOM 0 H SER A 76 1.700 4.832 -3.003 1.00 0.00 H new ATOM 0 HA SER A 76 -0.944 6.088 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.351 6.472 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.249 4.738 -5.557 1.00 0.00 H new ATOM 0 HG SER A 76 -1.520 5.863 -6.550 1.00 0.00 H new ATOM 1256 N LEU A 77 -2.006 3.811 -3.007 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.576 2.508 -2.681 1.00 0.00 C ATOM 1258 C LEU A 77 -1.997 1.420 -3.580 1.00 0.00 C ATOM 1259 O LEU A 77 -1.503 0.401 -3.099 1.00 0.00 O ATOM 1260 CB LEU A 77 -4.098 2.546 -2.822 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.860 1.379 -2.192 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -4.534 1.266 -0.711 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -6.358 1.546 -2.399 1.00 0.00 C ATOM 0 H LEU A 77 -2.686 4.570 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.319 2.274 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.461 3.473 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.344 2.584 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.546 0.458 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.085 0.430 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.464 1.098 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.818 2.188 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.884 0.707 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.688 2.475 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.577 1.576 -3.466 1.00 0.00 H new ATOM 1275 N GLY A 78 -2.060 1.645 -4.889 1.00 0.00 N ATOM 1276 CA GLY A 78 -1.537 0.676 -5.834 1.00 0.00 C ATOM 1277 C GLY A 78 -0.249 0.037 -5.356 1.00 0.00 C ATOM 1278 O GLY A 78 -0.051 -1.168 -5.513 1.00 0.00 O ATOM 0 H GLY A 78 -2.464 2.481 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.283 -0.100 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.362 1.165 -6.792 1.00 0.00 H new ATOM 1282 N ASP A 79 0.630 0.845 -4.773 1.00 0.00 N ATOM 1283 CA ASP A 79 1.907 0.351 -4.270 1.00 0.00 C ATOM 1284 C ASP A 79 1.697 -0.806 -3.299 1.00 0.00 C ATOM 1285 O ASP A 79 2.128 -1.932 -3.554 1.00 0.00 O ATOM 1286 CB ASP A 79 2.679 1.478 -3.582 1.00 0.00 C ATOM 1287 CG ASP A 79 4.179 1.269 -3.637 1.00 0.00 C ATOM 1288 OD1 ASP A 79 4.629 0.406 -4.419 1.00 0.00 O ATOM 1289 OD2 ASP A 79 4.903 1.968 -2.898 1.00 0.00 O ATOM 0 H ASP A 79 0.482 1.845 -4.637 1.00 0.00 H new ATOM 0 HA ASP A 79 2.488 -0.011 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.430 2.427 -4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.363 1.549 -2.541 1.00 0.00 H new ATOM 1294 N LEU A 80 1.035 -0.522 -2.183 1.00 0.00 N ATOM 1295 CA LEU A 80 0.769 -1.539 -1.171 1.00 0.00 C ATOM 1296 C LEU A 80 0.488 -2.891 -1.818 1.00 0.00 C ATOM 1297 O LEU A 80 1.073 -3.905 -1.440 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.416 -1.122 -0.299 1.00 0.00 C ATOM 1299 CG LEU A 80 -0.931 -2.174 0.683 1.00 0.00 C ATOM 1300 CD1 LEU A 80 0.142 -2.521 1.704 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.193 -1.684 1.378 1.00 0.00 C ATOM 0 H LEU A 80 0.672 0.404 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 80 1.657 -1.634 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.130 -0.235 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.238 -0.832 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.177 -3.076 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.242 -3.271 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.019 -2.916 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.419 -1.625 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.545 -2.446 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.974 -0.767 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.965 -1.487 0.634 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.411 -2.897 -2.798 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.768 -4.124 -3.499 1.00 0.00 C ATOM 1315 C GLU A 81 0.478 -4.926 -3.863 1.00 0.00 C ATOM 1316 O GLU A 81 0.642 -6.069 -3.438 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.568 -3.802 -4.763 1.00 0.00 C ATOM 1318 CG GLU A 81 -2.054 -5.035 -5.507 1.00 0.00 C ATOM 1319 CD GLU A 81 -3.327 -4.779 -6.290 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -4.089 -3.868 -5.904 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -3.561 -5.491 -7.289 1.00 0.00 O ATOM 0 H GLU A 81 -0.905 -2.066 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.384 -4.726 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.428 -3.189 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.949 -3.205 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.274 -5.374 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.226 -5.841 -4.794 1.00 0.00 H new ATOM 1328 N LYS A 82 1.355 -4.317 -4.654 1.00 0.00 N ATOM 1329 CA LYS A 82 2.588 -4.971 -5.077 1.00 0.00 C ATOM 1330 C LYS A 82 3.142 -5.858 -3.966 1.00 0.00 C ATOM 1331 O LYS A 82 3.467 -7.023 -4.193 1.00 0.00 O ATOM 1332 CB LYS A 82 3.632 -3.927 -5.478 1.00 0.00 C ATOM 1333 CG LYS A 82 3.185 -3.026 -6.617 1.00 0.00 C ATOM 1334 CD LYS A 82 3.172 -3.769 -7.942 1.00 0.00 C ATOM 1335 CE LYS A 82 2.403 -2.999 -9.005 1.00 0.00 C ATOM 1336 NZ LYS A 82 1.813 -3.905 -10.029 1.00 0.00 N ATOM 0 H LYS A 82 1.235 -3.371 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 82 2.360 -5.598 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.870 -3.311 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.551 -4.437 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.188 -2.638 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.853 -2.167 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.196 -3.933 -8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.721 -4.752 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.610 -2.421 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.070 -2.287 -9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.297 -3.342 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.572 -4.439 -10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.157 -4.568 -9.569 1.00 0.00 H new ATOM 1350 N ASP A 83 3.245 -5.299 -2.765 1.00 0.00 N ATOM 1351 CA ASP A 83 3.757 -6.040 -1.618 1.00 0.00 C ATOM 1352 C ASP A 83 2.807 -7.171 -1.234 1.00 0.00 C ATOM 1353 O ASP A 83 3.209 -8.331 -1.149 1.00 0.00 O ATOM 1354 CB ASP A 83 3.960 -5.102 -0.427 1.00 0.00 C ATOM 1355 CG ASP A 83 5.078 -5.562 0.488 1.00 0.00 C ATOM 1356 OD1 ASP A 83 5.706 -6.597 0.182 1.00 0.00 O ATOM 1357 OD2 ASP A 83 5.324 -4.888 1.510 1.00 0.00 O ATOM 0 H ASP A 83 2.981 -4.335 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 83 4.717 -6.474 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.182 -4.099 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.033 -5.036 0.142 1.00 0.00 H new ATOM 1362 N VAL A 84 1.545 -6.824 -1.002 1.00 0.00 N ATOM 1363 CA VAL A 84 0.538 -7.809 -0.627 1.00 0.00 C ATOM 1364 C VAL A 84 0.632 -9.052 -1.504 1.00 0.00 C ATOM 1365 O VAL A 84 0.625 -10.177 -1.006 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.884 -7.226 -0.732 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.921 -8.279 -0.372 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -1.025 -6.001 0.160 1.00 0.00 C ATOM 0 H VAL A 84 1.196 -5.868 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 84 0.734 -8.084 0.409 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.056 -6.918 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.919 -7.849 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.834 -9.124 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.754 -8.620 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.036 -5.602 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.833 -6.281 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.307 -5.241 -0.149 1.00 0.00 H new ATOM 1378 N MET A 85 0.720 -8.841 -2.813 1.00 0.00 N ATOM 1379 CA MET A 85 0.818 -9.945 -3.760 1.00 0.00 C ATOM 1380 C MET A 85 2.101 -10.739 -3.539 1.00 0.00 C ATOM 1381 O MET A 85 2.117 -11.964 -3.674 1.00 0.00 O ATOM 1382 CB MET A 85 0.770 -9.419 -5.196 1.00 0.00 C ATOM 1383 CG MET A 85 -0.512 -8.674 -5.528 1.00 0.00 C ATOM 1384 SD MET A 85 -1.986 -9.684 -5.287 1.00 0.00 S ATOM 1385 CE MET A 85 -2.478 -9.179 -3.641 1.00 0.00 C ATOM 0 H MET A 85 0.725 -7.916 -3.242 1.00 0.00 H new ATOM 0 HA MET A 85 -0.031 -10.608 -3.595 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.619 -8.755 -5.360 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.883 -10.256 -5.885 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.581 -7.783 -4.904 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.473 -8.336 -6.564 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.537 -9.392 -3.497 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.894 -9.728 -2.902 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.303 -8.110 -3.521 1.00 0.00 H new ATOM 1395 N LEU A 86 3.176 -10.036 -3.200 1.00 0.00 N ATOM 1396 CA LEU A 86 4.465 -10.676 -2.960 1.00 0.00 C ATOM 1397 C LEU A 86 4.422 -11.532 -1.699 1.00 0.00 C ATOM 1398 O LEU A 86 4.826 -12.696 -1.712 1.00 0.00 O ATOM 1399 CB LEU A 86 5.565 -9.620 -2.837 1.00 0.00 C ATOM 1400 CG LEU A 86 7.001 -10.144 -2.840 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.351 -10.736 -4.196 1.00 0.00 C ATOM 1402 CD2 LEU A 86 7.975 -9.033 -2.474 1.00 0.00 C ATOM 0 H LEU A 86 3.181 -9.023 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 86 4.685 -11.324 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.456 -8.913 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.405 -9.063 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 86 7.081 -10.932 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.377 -11.104 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.674 -11.561 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.254 -9.969 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.992 -9.424 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.892 -8.223 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.739 -8.655 -1.479 1.00 0.00 H new ATOM 1414 N LEU A 87 3.928 -10.950 -0.612 1.00 0.00 N ATOM 1415 CA LEU A 87 3.830 -11.661 0.658 1.00 0.00 C ATOM 1416 C LEU A 87 3.251 -13.058 0.457 1.00 0.00 C ATOM 1417 O LEU A 87 3.629 -14.003 1.151 1.00 0.00 O ATOM 1418 CB LEU A 87 2.960 -10.873 1.640 1.00 0.00 C ATOM 1419 CG LEU A 87 2.521 -11.622 2.899 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.341 -10.656 4.059 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.235 -12.393 2.639 1.00 0.00 C ATOM 0 H LEU A 87 3.589 -9.988 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 87 4.835 -11.760 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.508 -9.981 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.068 -10.535 1.113 1.00 0.00 H new ATOM 0 HG LEU A 87 3.301 -12.335 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.029 -11.207 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.285 -10.149 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.580 -9.918 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.937 -12.920 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.447 -11.699 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.398 -13.113 1.838 1.00 0.00 H new ATOM 1433 N CYS A 88 2.335 -13.181 -0.496 1.00 0.00 N ATOM 1434 CA CYS A 88 1.705 -14.464 -0.790 1.00 0.00 C ATOM 1435 C CYS A 88 2.590 -15.309 -1.700 1.00 0.00 C ATOM 1436 O CYS A 88 2.841 -16.482 -1.425 1.00 0.00 O ATOM 1437 CB CYS A 88 0.340 -14.247 -1.444 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.859 -13.399 -0.389 1.00 0.00 S ATOM 0 H CYS A 88 2.011 -12.409 -1.079 1.00 0.00 H new ATOM 0 HA CYS A 88 1.569 -14.998 0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.475 -13.670 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -0.069 -15.214 -1.735 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.602 -12.125 -0.377 1.00 0.00 H new ATOM 1444 N HIS A 89 3.060 -14.704 -2.787 1.00 0.00 N ATOM 1445 CA HIS A 89 3.917 -15.402 -3.740 1.00 0.00 C ATOM 1446 C HIS A 89 5.101 -16.051 -3.030 1.00 0.00 C ATOM 1447 O HIS A 89 5.372 -17.237 -3.212 1.00 0.00 O ATOM 1448 CB HIS A 89 4.417 -14.433 -4.812 1.00 0.00 C ATOM 1449 CG HIS A 89 4.932 -15.115 -6.042 1.00 0.00 C ATOM 1450 ND1 HIS A 89 4.149 -15.360 -7.150 1.00 0.00 N ATOM 1451 CD2 HIS A 89 6.160 -15.604 -6.335 1.00 0.00 C ATOM 1452 CE1 HIS A 89 4.873 -15.971 -8.071 1.00 0.00 C ATOM 1453 NE2 HIS A 89 6.097 -16.131 -7.601 1.00 0.00 N ATOM 0 H HIS A 89 2.862 -13.733 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 89 3.328 -16.186 -4.216 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.604 -13.762 -5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.210 -13.815 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.028 -15.583 -5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.523 -16.286 -9.043 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.870 -16.574 -8.098 1.00 0.00 H new ATOM 1462 N ASN A 90 5.805 -15.264 -2.223 1.00 0.00 N ATOM 1463 CA ASN A 90 6.962 -15.762 -1.487 1.00 0.00 C ATOM 1464 C ASN A 90 6.669 -17.127 -0.873 1.00 0.00 C ATOM 1465 O ASN A 90 7.494 -18.038 -0.938 1.00 0.00 O ATOM 1466 CB ASN A 90 7.360 -14.772 -0.391 1.00 0.00 C ATOM 1467 CG ASN A 90 8.001 -13.517 -0.951 1.00 0.00 C ATOM 1468 OD1 ASN A 90 8.682 -13.558 -1.976 1.00 0.00 O ATOM 1469 ND2 ASN A 90 7.787 -12.392 -0.278 1.00 0.00 N ATOM 0 H ASN A 90 5.595 -14.279 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 90 7.789 -15.869 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.477 -14.499 0.186 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.054 -15.255 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.194 -11.516 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.216 -12.404 0.567 1.00 0.00 H new ATOM 1476 N ALA A 91 5.488 -17.261 -0.277 1.00 0.00 N ATOM 1477 CA ALA A 91 5.085 -18.516 0.346 1.00 0.00 C ATOM 1478 C ALA A 91 5.054 -19.650 -0.672 1.00 0.00 C ATOM 1479 O ALA A 91 5.763 -20.645 -0.528 1.00 0.00 O ATOM 1480 CB ALA A 91 3.725 -18.362 1.010 1.00 0.00 C ATOM 0 H ALA A 91 4.794 -16.516 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 91 5.823 -18.768 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.436 -19.306 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.779 -17.587 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.984 -18.082 0.261 1.00 0.00 H new ATOM 1486 N GLN A 92 4.227 -19.492 -1.701 1.00 0.00 N ATOM 1487 CA GLN A 92 4.103 -20.505 -2.743 1.00 0.00 C ATOM 1488 C GLN A 92 5.475 -20.990 -3.197 1.00 0.00 C ATOM 1489 O GLN A 92 5.652 -22.161 -3.533 1.00 0.00 O ATOM 1490 CB GLN A 92 3.326 -19.947 -3.936 1.00 0.00 C ATOM 1491 CG GLN A 92 1.903 -19.533 -3.596 1.00 0.00 C ATOM 1492 CD GLN A 92 1.304 -18.599 -4.629 1.00 0.00 C ATOM 1493 OE1 GLN A 92 1.971 -17.689 -5.121 1.00 0.00 O ATOM 1494 NE2 GLN A 92 0.038 -18.821 -4.964 1.00 0.00 N ATOM 0 H GLN A 92 3.634 -18.673 -1.835 1.00 0.00 H new ATOM 0 HA GLN A 92 3.558 -21.352 -2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.860 -19.085 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.298 -20.699 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.280 -20.423 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.894 -19.045 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.477 -19.587 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.419 -18.225 -5.655 1.00 0.00 H new ATOM 1503 N THR A 93 6.446 -20.082 -3.204 1.00 0.00 N ATOM 1504 CA THR A 93 7.803 -20.416 -3.618 1.00 0.00 C ATOM 1505 C THR A 93 8.427 -21.442 -2.679 1.00 0.00 C ATOM 1506 O THR A 93 9.054 -22.404 -3.123 1.00 0.00 O ATOM 1507 CB THR A 93 8.701 -19.165 -3.664 1.00 0.00 C ATOM 1508 OG1 THR A 93 8.065 -18.133 -4.426 1.00 0.00 O ATOM 1509 CG2 THR A 93 10.055 -19.493 -4.275 1.00 0.00 C ATOM 0 H THR A 93 6.317 -19.109 -2.927 1.00 0.00 H new ATOM 0 HA THR A 93 7.733 -20.840 -4.620 1.00 0.00 H new ATOM 0 HB THR A 93 8.856 -18.818 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.304 -17.776 -3.922 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.672 -18.594 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.549 -20.258 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.916 -19.862 -5.291 1.00 0.00 H new ATOM 1517 N PHE A 94 8.251 -21.231 -1.379 1.00 0.00 N ATOM 1518 CA PHE A 94 8.798 -22.138 -0.377 1.00 0.00 C ATOM 1519 C PHE A 94 7.908 -23.366 -0.211 1.00 0.00 C ATOM 1520 O PHE A 94 8.359 -24.499 -0.374 1.00 0.00 O ATOM 1521 CB PHE A 94 8.949 -21.418 0.965 1.00 0.00 C ATOM 1522 CG PHE A 94 10.073 -21.949 1.808 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.373 -21.951 1.329 1.00 0.00 C ATOM 1524 CD2 PHE A 94 9.829 -22.447 3.078 1.00 0.00 C ATOM 1525 CE1 PHE A 94 12.411 -22.439 2.102 1.00 0.00 C ATOM 1526 CE2 PHE A 94 10.863 -22.935 3.855 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.154 -22.933 3.366 1.00 0.00 C ATOM 0 H PHE A 94 7.734 -20.440 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 94 9.780 -22.466 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.113 -20.356 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.016 -21.505 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.578 -21.567 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.821 -22.454 3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.420 -22.434 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 94 10.661 -23.318 4.844 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.962 -23.317 3.971 1.00 0.00 H new ATOM 1537 N ASN A 95 6.641 -23.131 0.115 1.00 0.00 N ATOM 1538 CA ASN A 95 5.687 -24.218 0.304 1.00 0.00 C ATOM 1539 C ASN A 95 5.391 -24.919 -1.018 1.00 0.00 C ATOM 1540 O ASN A 95 5.475 -24.313 -2.087 1.00 0.00 O ATOM 1541 CB ASN A 95 4.388 -23.684 0.913 1.00 0.00 C ATOM 1542 CG ASN A 95 4.500 -23.460 2.408 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.424 -24.403 3.196 1.00 0.00 O ATOM 1544 ND2 ASN A 95 4.682 -22.206 2.807 1.00 0.00 N ATOM 0 H ASN A 95 6.251 -22.199 0.254 1.00 0.00 H new ATOM 0 HA ASN A 95 6.131 -24.942 0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.121 -22.746 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.580 -24.388 0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.765 -21.994 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.739 -21.455 2.119 1.00 0.00 H new ATOM 1551 N LEU A 96 5.045 -26.199 -0.938 1.00 0.00 N ATOM 1552 CA LEU A 96 4.736 -26.984 -2.129 1.00 0.00 C ATOM 1553 C LEU A 96 3.376 -26.594 -2.699 1.00 0.00 C ATOM 1554 O LEU A 96 2.675 -25.754 -2.138 1.00 0.00 O ATOM 1555 CB LEU A 96 4.754 -28.477 -1.798 1.00 0.00 C ATOM 1556 CG LEU A 96 6.118 -29.164 -1.871 1.00 0.00 C ATOM 1557 CD1 LEU A 96 6.995 -28.736 -0.704 1.00 0.00 C ATOM 1558 CD2 LEU A 96 5.953 -30.677 -1.890 1.00 0.00 C ATOM 0 H LEU A 96 4.971 -26.716 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 96 5.498 -26.776 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.356 -28.611 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.075 -28.988 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 96 6.607 -28.860 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.962 -29.235 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.141 -27.656 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.512 -29.009 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.934 -31.149 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.443 -30.999 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.364 -30.968 -2.760 1.00 0.00 H new ATOM 1570 N GLU A 97 3.010 -27.213 -3.818 1.00 0.00 N ATOM 1571 CA GLU A 97 1.733 -26.931 -4.463 1.00 0.00 C ATOM 1572 C GLU A 97 0.583 -27.582 -3.700 1.00 0.00 C ATOM 1573 O GLU A 97 0.786 -28.521 -2.932 1.00 0.00 O ATOM 1574 CB GLU A 97 1.747 -27.430 -5.910 1.00 0.00 C ATOM 1575 CG GLU A 97 2.315 -26.422 -6.895 1.00 0.00 C ATOM 1576 CD GLU A 97 2.412 -26.975 -8.304 1.00 0.00 C ATOM 1577 OE1 GLU A 97 1.426 -26.848 -9.061 1.00 0.00 O ATOM 1578 OE2 GLU A 97 3.474 -27.534 -8.650 1.00 0.00 O ATOM 0 H GLU A 97 3.579 -27.912 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 97 1.583 -25.851 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.333 -28.348 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.730 -27.683 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.687 -25.531 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.305 -26.112 -6.561 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.627 -27.074 -3.919 1.00 0.00 N ATOM 1586 CA GLY A 98 -1.792 -27.617 -3.245 1.00 0.00 C ATOM 1587 C GLY A 98 -1.495 -28.030 -1.817 1.00 0.00 C ATOM 1588 O GLY A 98 -2.142 -28.927 -1.276 1.00 0.00 O ATOM 0 H GLY A 98 -0.821 -26.297 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.589 -26.873 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.160 -28.480 -3.800 1.00 0.00 H new ATOM 1592 N SER A 99 -0.514 -27.375 -1.204 1.00 0.00 N ATOM 1593 CA SER A 99 -0.129 -27.683 0.168 1.00 0.00 C ATOM 1594 C SER A 99 -0.975 -26.891 1.160 1.00 0.00 C ATOM 1595 O SER A 99 -1.697 -25.970 0.778 1.00 0.00 O ATOM 1596 CB SER A 99 1.354 -27.377 0.385 1.00 0.00 C ATOM 1597 OG SER A 99 1.881 -28.143 1.455 1.00 0.00 O ATOM 0 H SER A 99 0.029 -26.627 -1.636 1.00 0.00 H new ATOM 0 HA SER A 99 -0.301 -28.746 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.910 -27.591 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.483 -26.315 0.596 1.00 0.00 H new ATOM 0 HG SER A 99 2.830 -27.931 1.573 1.00 0.00 H new ATOM 1603 N GLN A 100 -0.878 -27.255 2.434 1.00 0.00 N ATOM 1604 CA GLN A 100 -1.634 -26.579 3.482 1.00 0.00 C ATOM 1605 C GLN A 100 -1.494 -25.065 3.363 1.00 0.00 C ATOM 1606 O GLN A 100 -2.484 -24.351 3.203 1.00 0.00 O ATOM 1607 CB GLN A 100 -1.161 -27.041 4.861 1.00 0.00 C ATOM 1608 CG GLN A 100 -2.248 -26.999 5.923 1.00 0.00 C ATOM 1609 CD GLN A 100 -3.360 -27.995 5.659 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -3.276 -28.806 4.737 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -4.410 -27.939 6.470 1.00 0.00 N ATOM 0 H GLN A 100 -0.283 -28.014 2.766 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.686 -26.839 3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.780 -28.059 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.329 -26.413 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.806 -27.204 6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.668 -25.994 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.438 -27.250 7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.189 -28.585 6.341 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.259 -24.582 3.443 1.00 0.00 N ATOM 1621 CA ILE A 101 0.011 -23.153 3.344 1.00 0.00 C ATOM 1622 C ILE A 101 -0.294 -22.632 1.944 1.00 0.00 C ATOM 1623 O ILE A 101 -0.824 -21.533 1.780 1.00 0.00 O ATOM 1624 CB ILE A 101 1.476 -22.831 3.692 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.803 -23.308 5.109 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.736 -21.338 3.557 1.00 0.00 C ATOM 1627 CD1 ILE A 101 3.180 -22.898 5.581 1.00 0.00 C ATOM 0 H ILE A 101 0.571 -25.160 3.576 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.641 -22.658 4.063 1.00 0.00 H new ATOM 0 HB ILE A 101 2.125 -23.358 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.058 -22.911 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.724 -24.395 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.776 -21.126 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.537 -21.025 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.081 -20.792 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.344 -23.270 6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.933 -23.317 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.257 -21.811 5.577 1.00 0.00 H new ATOM 1639 N TYR A 102 0.043 -23.430 0.936 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.193 -23.049 -0.452 1.00 0.00 C ATOM 1641 C TYR A 102 -1.563 -22.396 -0.612 1.00 0.00 C ATOM 1642 O TYR A 102 -1.663 -21.205 -0.905 1.00 0.00 O ATOM 1643 CB TYR A 102 -0.091 -24.274 -1.363 1.00 0.00 C ATOM 1644 CG TYR A 102 0.059 -23.928 -2.827 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.281 -23.510 -3.341 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -1.021 -24.020 -3.697 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.422 -23.193 -4.678 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.888 -23.706 -5.036 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.335 -23.292 -5.521 1.00 0.00 C ATOM 1650 OH TYR A 102 0.472 -22.978 -6.854 1.00 0.00 O ATOM 0 H TYR A 102 0.480 -24.344 1.054 1.00 0.00 H new ATOM 0 HA TYR A 102 0.570 -22.326 -0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.761 -24.878 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.982 -24.889 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.135 -23.432 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.980 -24.342 -3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.378 -22.869 -5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.737 -23.784 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.387 -23.102 -7.309 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.614 -23.185 -0.416 1.00 0.00 N ATOM 1661 CA GLU A 103 -3.978 -22.684 -0.538 1.00 0.00 C ATOM 1662 C GLU A 103 -4.103 -21.291 0.072 1.00 0.00 C ATOM 1663 O GLU A 103 -4.631 -20.372 -0.555 1.00 0.00 O ATOM 1664 CB GLU A 103 -4.960 -23.640 0.142 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.355 -24.825 -0.724 1.00 0.00 C ATOM 1666 CD GLU A 103 -6.370 -24.456 -1.788 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -5.950 -24.047 -2.891 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -7.583 -24.575 -1.519 1.00 0.00 O ATOM 0 H GLU A 103 -2.548 -24.173 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.220 -22.621 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.514 -24.009 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.858 -23.088 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.465 -25.234 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.767 -25.612 -0.091 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.614 -21.143 1.298 1.00 0.00 N ATOM 1676 CA ASP A 104 -3.669 -19.862 1.994 1.00 0.00 C ATOM 1677 C ASP A 104 -3.208 -18.729 1.084 1.00 0.00 C ATOM 1678 O ASP A 104 -3.837 -17.673 1.023 1.00 0.00 O ATOM 1679 CB ASP A 104 -2.804 -19.905 3.255 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.090 -21.122 4.112 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -3.670 -22.096 3.586 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -2.733 -21.102 5.308 1.00 0.00 O ATOM 0 H ASP A 104 -3.175 -21.894 1.831 1.00 0.00 H new ATOM 0 HA ASP A 104 -4.704 -19.676 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.752 -19.904 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.977 -19.003 3.841 1.00 0.00 H new ATOM 1687 N SER A 105 -2.104 -18.955 0.378 1.00 0.00 N ATOM 1688 CA SER A 105 -1.555 -17.951 -0.525 1.00 0.00 C ATOM 1689 C SER A 105 -2.583 -17.547 -1.578 1.00 0.00 C ATOM 1690 O SER A 105 -2.659 -16.383 -1.973 1.00 0.00 O ATOM 1691 CB SER A 105 -0.293 -18.483 -1.207 1.00 0.00 C ATOM 1692 OG SER A 105 -0.619 -19.365 -2.267 1.00 0.00 O ATOM 0 H SER A 105 -1.573 -19.825 0.414 1.00 0.00 H new ATOM 0 HA SER A 105 -1.298 -17.071 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.295 -17.650 -1.591 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.328 -19.001 -0.476 1.00 0.00 H new ATOM 0 HG SER A 105 -0.777 -20.263 -1.908 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.372 -18.517 -2.028 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.397 -18.263 -3.033 1.00 0.00 C ATOM 1700 C ILE A 106 -5.625 -17.607 -2.413 1.00 0.00 C ATOM 1701 O ILE A 106 -6.338 -16.850 -3.072 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.825 -19.562 -3.741 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.696 -20.077 -4.637 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -6.090 -19.330 -4.554 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.753 -21.028 -3.934 1.00 0.00 C ATOM 0 H ILE A 106 -3.321 -19.486 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.959 -17.586 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.036 -20.318 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.130 -20.581 -5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.127 -19.228 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.380 -20.257 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.893 -19.005 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.904 -18.561 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.979 -21.352 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.291 -20.522 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.309 -21.896 -3.579 1.00 0.00 H new ATOM 1717 N VAL A 107 -5.866 -17.900 -1.139 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.007 -17.336 -0.427 1.00 0.00 C ATOM 1719 C VAL A 107 -6.785 -15.861 -0.113 1.00 0.00 C ATOM 1720 O VAL A 107 -7.475 -14.990 -0.646 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.280 -18.093 0.886 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.479 -17.497 1.608 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -7.495 -19.574 0.612 1.00 0.00 C ATOM 0 H VAL A 107 -5.286 -18.525 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.871 -17.439 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.409 -17.989 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.656 -18.045 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.281 -16.450 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.360 -17.568 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.687 -20.094 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.349 -19.701 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.604 -19.990 0.142 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.817 -15.586 0.754 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.502 -14.214 1.139 1.00 0.00 C ATOM 1735 C LEU A 108 -5.706 -13.259 -0.032 1.00 0.00 C ATOM 1736 O LEU A 108 -6.360 -12.226 0.105 1.00 0.00 O ATOM 1737 CB LEU A 108 -4.060 -14.123 1.641 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.712 -14.997 2.846 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.203 -15.116 3.002 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.338 -14.433 4.113 1.00 0.00 C ATOM 0 H LEU A 108 -5.237 -16.294 1.204 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.179 -13.924 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.393 -14.389 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.851 -13.085 1.898 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.119 -15.994 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.975 -15.742 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.779 -15.566 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.773 -14.125 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.080 -15.068 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.962 -13.425 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.422 -14.401 4.000 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.144 -13.613 -1.183 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.266 -12.787 -2.379 1.00 0.00 C ATOM 1754 C GLN A 109 -6.731 -12.539 -2.721 1.00 0.00 C ATOM 1755 O GLN A 109 -7.145 -11.400 -2.934 1.00 0.00 O ATOM 1756 CB GLN A 109 -4.560 -13.455 -3.560 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.060 -13.206 -3.592 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.432 -13.594 -4.916 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -3.025 -14.573 -5.588 1.00 0.00 O flip ATOM 1760 NE2 GLN A 109 -1.425 -13.020 -5.330 1.00 0.00 N flip ATOM 0 H GLN A 109 -4.600 -14.466 -1.313 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.791 -11.827 -2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.741 -14.529 -3.520 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.000 -13.092 -4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.867 -12.151 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.585 -13.770 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.002 -12.272 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.014 -13.292 -6.223 1.00 0.00 H new ATOM 1769 N SER A 110 -7.512 -13.614 -2.773 1.00 0.00 N ATOM 1770 CA SER A 110 -8.931 -13.514 -3.095 1.00 0.00 C ATOM 1771 C SER A 110 -9.638 -12.558 -2.138 1.00 0.00 C ATOM 1772 O SER A 110 -10.657 -11.959 -2.482 1.00 0.00 O ATOM 1773 CB SER A 110 -9.588 -14.894 -3.034 1.00 0.00 C ATOM 1774 OG SER A 110 -9.198 -15.694 -4.136 1.00 0.00 O ATOM 0 H SER A 110 -7.186 -14.564 -2.596 1.00 0.00 H new ATOM 0 HA SER A 110 -9.022 -13.121 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.312 -15.391 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.672 -14.784 -3.026 1.00 0.00 H new ATOM 0 HG SER A 110 -8.339 -16.124 -3.941 1.00 0.00 H new ATOM 1780 N VAL A 111 -9.089 -12.422 -0.935 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.666 -11.539 0.072 1.00 0.00 C ATOM 1782 C VAL A 111 -9.181 -10.106 -0.111 1.00 0.00 C ATOM 1783 O VAL A 111 -9.953 -9.156 0.019 1.00 0.00 O ATOM 1784 CB VAL A 111 -9.316 -12.010 1.497 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -10.186 -11.299 2.522 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.468 -13.519 1.611 1.00 0.00 C ATOM 0 H VAL A 111 -8.246 -12.912 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.748 -11.573 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 111 -8.276 -11.757 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.925 -11.644 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.022 -10.223 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.235 -11.519 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -9.217 -13.835 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.498 -13.799 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.798 -14.007 0.903 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.896 -9.956 -0.415 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.306 -8.637 -0.616 1.00 0.00 C ATOM 1798 C PHE A 112 -8.123 -7.823 -1.616 1.00 0.00 C ATOM 1799 O PHE A 112 -8.504 -6.685 -1.343 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.863 -8.770 -1.108 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.270 -7.474 -1.581 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -4.838 -6.522 -0.671 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -5.143 -7.207 -2.934 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.292 -5.328 -1.104 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -4.598 -6.015 -3.373 1.00 0.00 C ATOM 1806 CZ PHE A 112 -4.170 -5.075 -2.456 1.00 0.00 C ATOM 0 H PHE A 112 -7.243 -10.731 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.310 -8.115 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.248 -9.169 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.830 -9.494 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.929 -6.715 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.474 -7.939 -3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.961 -4.593 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.507 -5.819 -4.431 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.741 -4.144 -2.796 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.388 -8.415 -2.775 1.00 0.00 N ATOM 1817 CA LYS A 113 -9.160 -7.748 -3.817 1.00 0.00 C ATOM 1818 C LYS A 113 -10.501 -7.264 -3.275 1.00 0.00 C ATOM 1819 O LYS A 113 -10.846 -6.089 -3.403 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.387 -8.694 -4.998 1.00 0.00 C ATOM 1821 CG LYS A 113 -8.158 -8.881 -5.872 1.00 0.00 C ATOM 1822 CD LYS A 113 -8.156 -10.242 -6.547 1.00 0.00 C ATOM 1823 CE LYS A 113 -7.142 -10.301 -7.679 1.00 0.00 C ATOM 1824 NZ LYS A 113 -7.522 -11.306 -8.711 1.00 0.00 N ATOM 0 H LYS A 113 -8.079 -9.357 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.591 -6.883 -4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.704 -9.665 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.203 -8.309 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.127 -8.098 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.259 -8.773 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.927 -11.014 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.151 -10.458 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.057 -9.318 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.160 -10.548 -7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.806 -11.316 -9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.578 -12.248 -8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.447 -11.056 -9.115 1.00 0.00 H new ATOM 1838 N SER A 114 -11.253 -8.177 -2.668 1.00 0.00 N ATOM 1839 CA SER A 114 -12.557 -7.843 -2.108 1.00 0.00 C ATOM 1840 C SER A 114 -12.451 -6.663 -1.148 1.00 0.00 C ATOM 1841 O SER A 114 -13.273 -5.747 -1.178 1.00 0.00 O ATOM 1842 CB SER A 114 -13.149 -9.053 -1.383 1.00 0.00 C ATOM 1843 OG SER A 114 -14.370 -8.719 -0.745 1.00 0.00 O ATOM 0 H SER A 114 -10.981 -9.153 -2.552 1.00 0.00 H new ATOM 0 HA SER A 114 -13.216 -7.562 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 114 -13.316 -9.861 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.438 -9.422 -0.644 1.00 0.00 H new ATOM 0 HG SER A 114 -14.728 -9.510 -0.290 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.432 -6.691 -0.296 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.215 -5.623 0.673 1.00 0.00 C ATOM 1851 C ALA A 115 -11.086 -4.271 -0.021 1.00 0.00 C ATOM 1852 O ALA A 115 -11.676 -3.282 0.414 1.00 0.00 O ATOM 1853 CB ALA A 115 -9.976 -5.911 1.507 1.00 0.00 C ATOM 0 H ALA A 115 -10.743 -7.442 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.082 -5.582 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.826 -5.106 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.107 -6.853 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.106 -5.981 0.854 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.311 -4.237 -1.100 1.00 0.00 N ATOM 1860 CA ARG A 116 -10.104 -3.005 -1.852 1.00 0.00 C ATOM 1861 C ARG A 116 -11.434 -2.429 -2.330 1.00 0.00 C ATOM 1862 O ARG A 116 -11.622 -1.213 -2.350 1.00 0.00 O ATOM 1863 CB ARG A 116 -9.187 -3.262 -3.050 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.597 -1.996 -3.648 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.548 -2.314 -4.702 1.00 0.00 C ATOM 1866 NE ARG A 116 -8.145 -2.559 -6.012 1.00 0.00 N ATOM 1867 CZ ARG A 116 -7.437 -2.711 -7.126 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -6.113 -2.644 -7.088 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -8.052 -2.931 -8.280 1.00 0.00 N ATOM 0 H ARG A 116 -9.817 -5.047 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.631 -2.280 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -8.375 -3.920 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.749 -3.790 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.392 -1.398 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.149 -1.393 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.844 -1.485 -4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.978 -3.191 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 116 -9.161 -2.617 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.636 -2.475 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -5.572 -2.761 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -9.070 -2.984 -8.313 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.507 -3.047 -9.134 1.00 0.00 H new