USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1072 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 122 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Set 1.2: A 126 LYS NZ :NH3+ 147:sc= -1.85! (180deg=-2.84!) USER MOD Set 2.1: A 103 GLN : amide:sc= -2.41! C(o=-7.8!,f=-13!) USER MOD Set 2.2: A 108 ASN : amide:sc= -3.39 K(o=-7.8,f=-15!) USER MOD Set 2.3: A 111 GLN : amide:sc= -2.04! C(o=-7.8!,f=-13!) USER MOD Set 3.1: A 39 SER OG : rot 110:sc= -1.65! USER MOD Set 3.2: A 68 TYR OH : rot -38:sc= 0.2 USER MOD Set 4.1: A 34 HIS : no HD1:sc= 0.263 K(o=1.5,f=-6.3!) USER MOD Set 4.2: A 143 SER OG : rot -76:sc= 1.19 USER MOD Single : A 9 THR OG1 : rot 29:sc= 0.245 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0927 K(o=-0.093,f=-0.9) USER MOD Single : A 27 THR OG1 : rot 56:sc= 0.51 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -149:sc=-0.00441 (180deg=-0.233) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 48 MET CE :methyl -112:sc= -1.15 (180deg=-1.66) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.0437 F(o=-0.57,f=-0.044) USER MOD Single : A 53 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 158:sc= -4.16! (180deg=-6.15!) USER MOD Single : A 58 ASN : amide:sc= -0.0986 X(o=-0.099,f=0.23) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -0.561 K(o=-0.56,f=-4.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -131:sc= -2.33! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc=-0.000168 K(o=-0.00017,f=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 98 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.17) USER MOD Single : A 101 GLN : amide:sc=-0.00169 K(o=-0.0017,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 110 LYS NZ :NH3+ -128:sc= -1.43 (180deg=-2.87!) USER MOD Single : A 119 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.449) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -0.334 K(o=-0.33,f=-2.4!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 144:sc= -0.126 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.460 13.989 -4.784 1.00 0.00 N ATOM 142 CA THR A 9 105.650 14.918 -5.932 1.00 0.00 C ATOM 143 C THR A 9 107.094 14.848 -6.418 1.00 0.00 C ATOM 144 O THR A 9 107.952 14.300 -5.753 1.00 0.00 O ATOM 145 CB THR A 9 105.355 16.309 -5.377 1.00 0.00 C ATOM 146 OG1 THR A 9 104.048 16.334 -4.823 1.00 0.00 O ATOM 147 CG2 THR A 9 105.460 17.333 -6.507 1.00 0.00 C ATOM 0 HA THR A 9 105.004 14.669 -6.774 1.00 0.00 H new ATOM 0 HB THR A 9 106.076 16.554 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 9 103.814 15.440 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 9 105.250 18.329 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 9 106.466 17.312 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.738 17.090 -7.287 1.00 0.00 H new ATOM 155 N ALA A 10 107.384 15.404 -7.565 1.00 0.00 N ATOM 156 CA ALA A 10 108.792 15.368 -8.071 1.00 0.00 C ATOM 157 C ALA A 10 109.739 15.928 -6.996 1.00 0.00 C ATOM 158 O ALA A 10 110.850 15.474 -6.834 1.00 0.00 O ATOM 159 CB ALA A 10 108.790 16.260 -9.316 1.00 0.00 C ATOM 0 H ALA A 10 106.714 15.878 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 10 109.131 14.359 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.791 16.285 -9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.089 15.860 -10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.488 17.270 -9.039 1.00 0.00 H new ATOM 165 N GLU A 11 109.294 16.901 -6.252 1.00 0.00 N ATOM 166 CA GLU A 11 110.151 17.481 -5.179 1.00 0.00 C ATOM 167 C GLU A 11 110.529 16.412 -4.146 1.00 0.00 C ATOM 168 O GLU A 11 111.673 16.303 -3.748 1.00 0.00 O ATOM 169 CB GLU A 11 109.276 18.552 -4.523 1.00 0.00 C ATOM 170 CG GLU A 11 110.075 19.267 -3.428 1.00 0.00 C ATOM 171 CD GLU A 11 109.233 20.399 -2.829 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.030 20.392 -3.033 1.00 0.00 O ATOM 173 OE2 GLU A 11 109.809 21.259 -2.183 1.00 0.00 O1- ATOM 0 H GLU A 11 108.369 17.322 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 11 111.084 17.881 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.941 19.271 -5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.383 18.096 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.357 18.559 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 11 111.000 19.669 -3.843 1.00 0.00 H new ATOM 180 N GLU A 12 109.583 15.635 -3.693 1.00 0.00 N ATOM 181 CA GLU A 12 109.904 14.596 -2.668 1.00 0.00 C ATOM 182 C GLU A 12 110.690 13.428 -3.270 1.00 0.00 C ATOM 183 O GLU A 12 111.685 12.995 -2.723 1.00 0.00 O ATOM 184 CB GLU A 12 108.550 14.106 -2.156 1.00 0.00 C ATOM 185 CG GLU A 12 107.855 15.226 -1.378 1.00 0.00 C ATOM 186 CD GLU A 12 106.460 14.766 -0.927 1.00 0.00 C ATOM 187 OE1 GLU A 12 106.121 13.616 -1.163 1.00 0.00 O1- ATOM 188 OE2 GLU A 12 105.754 15.577 -0.349 1.00 0.00 O ATOM 0 H GLU A 12 108.606 15.673 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 12 110.529 15.009 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.927 13.791 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.687 13.235 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.454 15.503 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.769 16.115 -2.003 1.00 0.00 H new ATOM 195 N GLU A 13 110.261 12.913 -4.391 1.00 0.00 N ATOM 196 CA GLU A 13 111.001 11.775 -5.015 1.00 0.00 C ATOM 197 C GLU A 13 112.436 12.197 -5.337 1.00 0.00 C ATOM 198 O GLU A 13 113.372 11.445 -5.150 1.00 0.00 O ATOM 199 CB GLU A 13 110.232 11.462 -6.301 1.00 0.00 C ATOM 200 CG GLU A 13 108.859 10.886 -5.949 1.00 0.00 C ATOM 201 CD GLU A 13 108.030 10.672 -7.225 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.546 10.925 -8.304 1.00 0.00 O ATOM 203 OE2 GLU A 13 106.888 10.259 -7.100 1.00 0.00 O1- ATOM 0 H GLU A 13 109.435 13.228 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 13 111.063 10.908 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.116 12.367 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.792 10.750 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.978 9.940 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.334 11.563 -5.275 1.00 0.00 H new ATOM 210 N LYS A 14 112.619 13.391 -5.824 1.00 0.00 N ATOM 211 CA LYS A 14 113.999 13.847 -6.151 1.00 0.00 C ATOM 212 C LYS A 14 114.861 13.924 -4.886 1.00 0.00 C ATOM 213 O LYS A 14 116.011 13.533 -4.891 1.00 0.00 O ATOM 214 CB LYS A 14 113.825 15.228 -6.790 1.00 0.00 C ATOM 215 CG LYS A 14 113.188 15.081 -8.179 1.00 0.00 C ATOM 216 CD LYS A 14 114.176 14.417 -9.143 1.00 0.00 C ATOM 217 CE LYS A 14 113.512 14.228 -10.505 1.00 0.00 C ATOM 218 NZ LYS A 14 114.549 13.564 -11.341 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.879 14.068 -6.009 1.00 0.00 H new ATOM 0 HA LYS A 14 114.510 13.156 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.198 15.856 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 14 114.792 15.725 -6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 14 112.279 14.484 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 14 112.898 16.060 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 14 115.070 15.032 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.496 13.454 -8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 14 112.614 13.615 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 14 113.209 15.183 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 114.171 13.398 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.389 14.174 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 114.812 12.655 -10.910 1.00 0.00 H new ATOM 232 N ALA A 15 114.331 14.440 -3.810 1.00 0.00 N ATOM 233 CA ALA A 15 115.150 14.550 -2.564 1.00 0.00 C ATOM 234 C ALA A 15 115.528 13.165 -2.012 1.00 0.00 C ATOM 235 O ALA A 15 116.651 12.948 -1.597 1.00 0.00 O ATOM 236 CB ALA A 15 114.271 15.311 -1.573 1.00 0.00 C ATOM 0 H ALA A 15 113.375 14.788 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 15 116.094 15.062 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.805 15.432 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.029 16.292 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.351 14.753 -1.399 1.00 0.00 H new ATOM 242 N ILE A 16 114.615 12.228 -1.991 1.00 0.00 N ATOM 243 CA ILE A 16 114.960 10.878 -1.451 1.00 0.00 C ATOM 244 C ILE A 16 115.944 10.162 -2.389 1.00 0.00 C ATOM 245 O ILE A 16 116.855 9.487 -1.950 1.00 0.00 O ATOM 246 CB ILE A 16 113.629 10.123 -1.325 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.864 8.805 -0.582 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.040 9.836 -2.705 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.527 8.235 -0.100 1.00 0.00 C ATOM 0 H ILE A 16 113.656 12.337 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 16 115.458 10.937 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 16 112.924 10.742 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.359 8.090 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.527 8.969 0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.097 9.300 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.864 10.776 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.738 9.227 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.700 7.297 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.049 8.947 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.878 8.054 -0.957 1.00 0.00 H new ATOM 261 N VAL A 17 115.791 10.336 -3.676 1.00 0.00 N ATOM 262 CA VAL A 17 116.737 9.698 -4.638 1.00 0.00 C ATOM 263 C VAL A 17 118.140 10.246 -4.359 1.00 0.00 C ATOM 264 O VAL A 17 119.118 9.524 -4.358 1.00 0.00 O ATOM 265 CB VAL A 17 116.241 10.125 -6.035 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.290 9.777 -7.099 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.935 9.396 -6.364 1.00 0.00 C ATOM 0 H VAL A 17 115.051 10.893 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 17 116.777 8.612 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 17 116.073 11.202 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.928 10.083 -8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.221 10.299 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.467 8.702 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.587 9.700 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.107 8.320 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.180 9.649 -5.620 1.00 0.00 H new ATOM 277 N ASP A 18 118.232 11.520 -4.130 1.00 0.00 N ATOM 278 CA ASP A 18 119.562 12.123 -3.859 1.00 0.00 C ATOM 279 C ASP A 18 120.155 11.503 -2.597 1.00 0.00 C ATOM 280 O ASP A 18 121.345 11.267 -2.506 1.00 0.00 O ATOM 281 CB ASP A 18 119.305 13.620 -3.693 1.00 0.00 C ATOM 282 CG ASP A 18 119.296 14.288 -5.068 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.950 13.770 -5.959 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 118.646 15.311 -5.206 1.00 0.00 O ATOM 0 H ASP A 18 117.446 12.171 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 18 120.280 11.945 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.351 13.783 -3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.076 14.065 -3.065 1.00 0.00 H new ATOM 289 N ALA A 19 119.329 11.215 -1.630 1.00 0.00 N ATOM 290 CA ALA A 19 119.838 10.587 -0.380 1.00 0.00 C ATOM 291 C ALA A 19 120.481 9.243 -0.717 1.00 0.00 C ATOM 292 O ALA A 19 121.516 8.884 -0.190 1.00 0.00 O ATOM 293 CB ALA A 19 118.599 10.376 0.487 1.00 0.00 C ATOM 0 H ALA A 19 118.324 11.387 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 19 120.588 11.197 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.890 9.915 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.125 11.337 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.897 9.725 -0.034 1.00 0.00 H new ATOM 299 N ILE A 20 119.875 8.498 -1.599 1.00 0.00 N ATOM 300 CA ILE A 20 120.449 7.180 -1.978 1.00 0.00 C ATOM 301 C ILE A 20 121.812 7.393 -2.647 1.00 0.00 C ATOM 302 O ILE A 20 122.763 6.683 -2.384 1.00 0.00 O ATOM 303 CB ILE A 20 119.440 6.562 -2.954 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.141 6.245 -2.206 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.016 5.267 -3.530 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.054 5.848 -3.209 1.00 0.00 C ATOM 0 H ILE A 20 119.007 8.746 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 20 120.611 6.527 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 20 119.238 7.265 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.307 5.436 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.820 7.113 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.300 4.827 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.945 5.485 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.215 4.565 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.131 5.623 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.881 6.671 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.376 4.967 -3.765 1.00 0.00 H new ATOM 318 N ARG A 21 121.912 8.369 -3.509 1.00 0.00 N ATOM 319 CA ARG A 21 123.212 8.627 -4.190 1.00 0.00 C ATOM 320 C ARG A 21 124.298 8.913 -3.146 1.00 0.00 C ATOM 321 O ARG A 21 125.411 8.438 -3.246 1.00 0.00 O ATOM 322 CB ARG A 21 122.968 9.871 -5.054 1.00 0.00 C ATOM 323 CG ARG A 21 122.059 9.515 -6.236 1.00 0.00 C ATOM 324 CD ARG A 21 121.749 10.780 -7.046 1.00 0.00 C ATOM 325 NE ARG A 21 123.075 11.276 -7.516 1.00 0.00 N ATOM 326 CZ ARG A 21 123.604 10.812 -8.616 1.00 0.00 C ATOM 327 NH1 ARG A 21 123.024 11.027 -9.767 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 124.720 10.139 -8.566 1.00 0.00 N ATOM 0 H ARG A 21 121.152 8.997 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 21 123.546 7.776 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.508 10.657 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.917 10.263 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.545 8.774 -6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.134 9.067 -5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.091 10.559 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 21 121.244 11.526 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 21 123.572 11.983 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 21 122.155 11.559 -9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 21 123.441 10.663 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 21 125.178 9.976 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 21 125.135 9.775 -9.424 1.00 0.00 H new ATOM 342 N ASP A 22 123.984 9.695 -2.149 1.00 0.00 N ATOM 343 CA ASP A 22 124.998 10.022 -1.102 1.00 0.00 C ATOM 344 C ASP A 22 125.405 8.767 -0.312 1.00 0.00 C ATOM 345 O ASP A 22 126.550 8.613 0.065 1.00 0.00 O ATOM 346 CB ASP A 22 124.310 11.038 -0.184 1.00 0.00 C ATOM 347 CG ASP A 22 125.314 11.583 0.842 1.00 0.00 C ATOM 348 OD1 ASP A 22 126.413 11.054 0.916 1.00 0.00 O ATOM 349 OD2 ASP A 22 124.969 12.528 1.533 1.00 0.00 O1- ATOM 0 H ASP A 22 123.068 10.123 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 22 125.915 10.417 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.902 11.857 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 22 123.472 10.567 0.330 1.00 0.00 H new ATOM 354 N ALA A 23 124.482 7.876 -0.037 1.00 0.00 N ATOM 355 CA ALA A 23 124.851 6.655 0.750 1.00 0.00 C ATOM 356 C ALA A 23 125.835 5.782 -0.041 1.00 0.00 C ATOM 357 O ALA A 23 126.764 5.228 0.517 1.00 0.00 O ATOM 358 CB ALA A 23 123.542 5.914 1.014 1.00 0.00 C ATOM 0 H ALA A 23 123.503 7.938 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 23 125.349 6.913 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.745 5.009 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.867 6.557 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.078 5.646 0.065 1.00 0.00 H new ATOM 364 N GLU A 24 125.652 5.653 -1.334 1.00 0.00 N ATOM 365 CA GLU A 24 126.603 4.817 -2.139 1.00 0.00 C ATOM 366 C GLU A 24 128.031 5.380 -2.034 1.00 0.00 C ATOM 367 O GLU A 24 128.995 4.697 -2.319 1.00 0.00 O ATOM 368 CB GLU A 24 126.108 4.894 -3.581 1.00 0.00 C ATOM 369 CG GLU A 24 124.704 4.294 -3.689 1.00 0.00 C ATOM 370 CD GLU A 24 124.743 2.813 -3.304 1.00 0.00 C ATOM 371 OE1 GLU A 24 125.819 2.240 -3.335 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.693 2.276 -2.995 1.00 0.00 O1- ATOM 0 H GLU A 24 124.894 6.085 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 24 126.635 3.788 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.095 5.932 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.793 4.357 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.017 4.831 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.328 4.405 -4.706 1.00 0.00 H new ATOM 379 N LYS A 25 128.181 6.604 -1.580 1.00 0.00 N ATOM 380 CA LYS A 25 129.544 7.164 -1.407 1.00 0.00 C ATOM 381 C LYS A 25 130.020 6.918 0.041 1.00 0.00 C ATOM 382 O LYS A 25 131.114 7.296 0.409 1.00 0.00 O ATOM 383 CB LYS A 25 129.403 8.648 -1.693 1.00 0.00 C ATOM 384 CG LYS A 25 128.954 8.844 -3.137 1.00 0.00 C ATOM 385 CD LYS A 25 128.722 10.331 -3.387 1.00 0.00 C ATOM 386 CE LYS A 25 128.233 10.540 -4.820 1.00 0.00 C ATOM 387 NZ LYS A 25 127.948 11.999 -4.923 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.417 7.230 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 25 130.278 6.704 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.679 9.094 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.353 9.154 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.710 8.461 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.039 8.283 -3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.987 10.718 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.646 10.886 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 25 128.989 10.234 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.340 9.948 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.607 12.219 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.220 12.260 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.818 12.537 -4.733 1.00 0.00 H new ATOM 401 N ASN A 26 129.212 6.281 0.870 1.00 0.00 N ATOM 402 CA ASN A 26 129.628 6.000 2.266 1.00 0.00 C ATOM 403 C ASN A 26 129.808 4.482 2.462 1.00 0.00 C ATOM 404 O ASN A 26 130.416 4.041 3.415 1.00 0.00 O ATOM 405 CB ASN A 26 128.475 6.523 3.122 1.00 0.00 C ATOM 406 CG ASN A 26 128.380 8.042 2.966 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.384 8.714 2.840 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.208 8.617 2.962 1.00 0.00 N ATOM 0 H ASN A 26 128.280 5.948 0.625 1.00 0.00 H new ATOM 0 HA ASN A 26 130.577 6.468 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.539 6.055 2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.636 6.262 4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.137 9.629 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.364 8.055 3.068 1.00 0.00 H new ATOM 415 N THR A 27 129.293 3.676 1.556 1.00 0.00 N ATOM 416 CA THR A 27 129.460 2.195 1.691 1.00 0.00 C ATOM 417 C THR A 27 129.397 1.520 0.305 1.00 0.00 C ATOM 418 O THR A 27 128.821 2.045 -0.629 1.00 0.00 O ATOM 419 CB THR A 27 128.294 1.730 2.591 1.00 0.00 C ATOM 420 OG1 THR A 27 128.479 0.364 2.972 1.00 0.00 O ATOM 421 CG2 THR A 27 126.955 1.877 1.857 1.00 0.00 C ATOM 0 H THR A 27 128.769 3.981 0.736 1.00 0.00 H new ATOM 0 HA THR A 27 130.425 1.928 2.122 1.00 0.00 H new ATOM 0 HB THR A 27 128.281 2.356 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 27 129.349 0.262 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.145 1.545 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.800 2.922 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.967 1.269 0.952 1.00 0.00 H new ATOM 429 N SER A 28 129.955 0.344 0.185 1.00 0.00 N ATOM 430 CA SER A 28 129.896 -0.387 -1.118 1.00 0.00 C ATOM 431 C SER A 28 128.583 -1.190 -1.219 1.00 0.00 C ATOM 432 O SER A 28 128.252 -1.718 -2.262 1.00 0.00 O ATOM 433 CB SER A 28 131.104 -1.324 -1.117 1.00 0.00 C ATOM 434 OG SER A 28 132.298 -0.557 -1.202 1.00 0.00 O ATOM 0 H SER A 28 130.449 -0.143 0.932 1.00 0.00 H new ATOM 0 HA SER A 28 129.919 0.293 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.110 -1.926 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.042 -2.015 -1.958 1.00 0.00 H new ATOM 0 HG SER A 28 133.073 -1.157 -1.200 1.00 0.00 H new ATOM 440 N GLY A 29 127.829 -1.281 -0.145 1.00 0.00 N ATOM 441 CA GLY A 29 126.550 -2.034 -0.179 1.00 0.00 C ATOM 442 C GLY A 29 125.533 -1.241 -0.991 1.00 0.00 C ATOM 443 O GLY A 29 125.785 -0.119 -1.384 1.00 0.00 O ATOM 0 H GLY A 29 128.055 -0.859 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.703 -3.017 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.181 -2.196 0.834 1.00 0.00 H new ATOM 447 N GLU A 30 124.397 -1.812 -1.262 1.00 0.00 N ATOM 448 CA GLU A 30 123.382 -1.074 -2.072 1.00 0.00 C ATOM 449 C GLU A 30 121.991 -1.110 -1.432 1.00 0.00 C ATOM 450 O GLU A 30 121.509 -2.139 -1.000 1.00 0.00 O ATOM 451 CB GLU A 30 123.369 -1.771 -3.431 1.00 0.00 C ATOM 452 CG GLU A 30 124.700 -1.525 -4.147 1.00 0.00 C ATOM 453 CD GLU A 30 125.698 -2.641 -3.809 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.380 -3.469 -2.968 1.00 0.00 O ATOM 455 OE2 GLU A 30 126.762 -2.652 -4.404 1.00 0.00 O1- ATOM 0 H GLU A 30 124.124 -2.748 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 30 123.639 -0.018 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.207 -2.841 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.544 -1.395 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.540 -1.485 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.108 -0.559 -3.849 1.00 0.00 H new ATOM 462 N ILE A 31 121.347 0.030 -1.385 1.00 0.00 N ATOM 463 CA ILE A 31 119.981 0.120 -0.794 1.00 0.00 C ATOM 464 C ILE A 31 118.984 0.596 -1.859 1.00 0.00 C ATOM 465 O ILE A 31 119.238 1.537 -2.587 1.00 0.00 O ATOM 466 CB ILE A 31 120.109 1.136 0.341 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.076 0.586 1.390 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.741 1.367 0.986 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.408 1.680 2.406 1.00 0.00 C ATOM 0 H ILE A 31 121.717 0.913 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 31 119.614 -0.839 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 31 120.483 2.081 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.631 -0.271 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.988 0.234 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.838 2.092 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.046 1.748 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.364 0.426 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.097 1.286 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.871 2.524 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.493 2.011 2.896 1.00 0.00 H new ATOM 481 N ARG A 32 117.856 -0.050 -1.952 1.00 0.00 N ATOM 482 CA ARG A 32 116.830 0.349 -2.962 1.00 0.00 C ATOM 483 C ARG A 32 115.430 0.261 -2.351 1.00 0.00 C ATOM 484 O ARG A 32 115.185 -0.505 -1.440 1.00 0.00 O ATOM 485 CB ARG A 32 116.982 -0.655 -4.104 1.00 0.00 C ATOM 486 CG ARG A 32 116.009 -0.305 -5.227 1.00 0.00 C ATOM 487 CD ARG A 32 116.096 -1.364 -6.325 1.00 0.00 C ATOM 488 NE ARG A 32 115.296 -0.805 -7.448 1.00 0.00 N ATOM 489 CZ ARG A 32 115.150 -1.484 -8.552 1.00 0.00 C ATOM 490 NH1 ARG A 32 114.850 -2.754 -8.504 1.00 0.00 N ATOM 491 NH2 ARG A 32 115.306 -0.892 -9.702 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.596 -0.845 -1.368 1.00 0.00 H new ATOM 0 HA ARG A 32 116.965 1.375 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.005 -0.642 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.788 -1.665 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 32 114.992 -0.252 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.246 0.678 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.129 -1.542 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 32 115.693 -2.319 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 32 114.860 0.112 -7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 32 114.730 -3.216 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 114.736 -3.284 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.542 0.100 -9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 32 115.193 -1.420 -10.567 1.00 0.00 H new ATOM 505 N VAL A 33 114.513 1.057 -2.836 1.00 0.00 N ATOM 506 CA VAL A 33 113.132 1.038 -2.271 1.00 0.00 C ATOM 507 C VAL A 33 112.101 0.731 -3.367 1.00 0.00 C ATOM 508 O VAL A 33 112.169 1.245 -4.468 1.00 0.00 O ATOM 509 CB VAL A 33 112.913 2.452 -1.713 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.470 2.595 -1.216 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.882 2.708 -0.556 1.00 0.00 C ATOM 0 H VAL A 33 114.661 1.719 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 33 113.015 0.269 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 33 113.096 3.180 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.319 3.600 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.782 2.423 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.282 1.864 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.723 3.712 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.707 1.978 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.908 2.617 -0.913 1.00 0.00 H new ATOM 521 N HIS A 34 111.129 -0.083 -3.055 1.00 0.00 N ATOM 522 CA HIS A 34 110.065 -0.410 -4.047 1.00 0.00 C ATOM 523 C HIS A 34 108.701 -0.044 -3.452 1.00 0.00 C ATOM 524 O HIS A 34 108.398 -0.347 -2.314 1.00 0.00 O ATOM 525 CB HIS A 34 110.181 -1.913 -4.300 1.00 0.00 C ATOM 526 CG HIS A 34 109.041 -2.375 -5.173 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.073 -2.270 -6.553 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.827 -2.941 -4.869 1.00 0.00 C ATOM 529 CE1 HIS A 34 107.916 -2.766 -7.026 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.119 -3.188 -6.040 1.00 0.00 N ATOM 0 H HIS A 34 111.026 -0.539 -2.148 1.00 0.00 H new ATOM 0 HA HIS A 34 110.171 0.142 -4.981 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.133 -2.137 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.167 -2.452 -3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.476 -3.161 -3.872 1.00 0.00 H new ATOM 0 HE1 HIS A 34 107.662 -2.817 -8.074 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.191 -3.602 -6.127 1.00 0.00 H new ATOM 538 N LEU A 35 107.898 0.639 -4.212 1.00 0.00 N ATOM 539 CA LEU A 35 106.568 1.081 -3.715 1.00 0.00 C ATOM 540 C LEU A 35 105.425 0.469 -4.540 1.00 0.00 C ATOM 541 O LEU A 35 105.411 0.514 -5.757 1.00 0.00 O ATOM 542 CB LEU A 35 106.625 2.596 -3.892 1.00 0.00 C ATOM 543 CG LEU A 35 105.418 3.246 -3.231 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.445 2.938 -1.732 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.490 4.759 -3.446 1.00 0.00 C ATOM 0 H LEU A 35 108.109 0.914 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 35 106.372 0.772 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.543 2.987 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.647 2.845 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 35 104.497 2.859 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.583 3.400 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.410 1.859 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.361 3.335 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.629 5.235 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.407 5.147 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.486 4.975 -4.514 1.00 0.00 H new ATOM 557 N GLU A 36 104.449 -0.077 -3.855 1.00 0.00 N ATOM 558 CA GLU A 36 103.259 -0.673 -4.532 1.00 0.00 C ATOM 559 C GLU A 36 102.055 -0.535 -3.589 1.00 0.00 C ATOM 560 O GLU A 36 102.204 -0.226 -2.422 1.00 0.00 O ATOM 561 CB GLU A 36 103.598 -2.141 -4.800 1.00 0.00 C ATOM 562 CG GLU A 36 102.489 -2.782 -5.643 1.00 0.00 C ATOM 563 CD GLU A 36 102.835 -4.248 -5.931 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.733 -4.767 -5.287 1.00 0.00 O ATOM 565 OE2 GLU A 36 102.196 -4.828 -6.794 1.00 0.00 O1- ATOM 0 H GLU A 36 104.429 -0.135 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 36 103.012 -0.178 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.553 -2.215 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.707 -2.677 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.537 -2.721 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.370 -2.236 -6.579 1.00 0.00 H new ATOM 572 N LYS A 37 100.864 -0.713 -4.091 1.00 0.00 N ATOM 573 CA LYS A 37 99.652 -0.539 -3.232 1.00 0.00 C ATOM 574 C LYS A 37 99.364 -1.745 -2.335 1.00 0.00 C ATOM 575 O LYS A 37 99.589 -1.705 -1.142 1.00 0.00 O ATOM 576 CB LYS A 37 98.504 -0.319 -4.208 1.00 0.00 C ATOM 577 CG LYS A 37 98.694 1.011 -4.933 1.00 0.00 C ATOM 578 CD LYS A 37 97.574 1.168 -5.970 1.00 0.00 C ATOM 579 CE LYS A 37 97.765 2.453 -6.786 1.00 0.00 C ATOM 580 NZ LYS A 37 97.429 3.584 -5.865 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.675 -0.972 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 37 99.796 0.293 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.465 -1.135 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.554 -0.321 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.669 1.836 -4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.668 1.040 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.566 0.306 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.607 1.191 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.790 2.536 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 37 97.117 2.458 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 97.032 4.373 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.731 3.265 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.290 3.901 -5.376 1.00 0.00 H new ATOM 594 N THR A 38 98.861 -2.810 -2.897 1.00 0.00 N ATOM 595 CA THR A 38 98.544 -4.014 -2.069 1.00 0.00 C ATOM 596 C THR A 38 98.891 -5.302 -2.822 1.00 0.00 C ATOM 597 O THR A 38 99.031 -5.317 -4.029 1.00 0.00 O ATOM 598 CB THR A 38 97.036 -3.939 -1.813 1.00 0.00 C ATOM 599 OG1 THR A 38 96.615 -5.114 -1.135 1.00 0.00 O ATOM 600 CG2 THR A 38 96.293 -3.825 -3.148 1.00 0.00 C ATOM 0 H THR A 38 98.655 -2.901 -3.892 1.00 0.00 H new ATOM 0 HA THR A 38 99.120 -4.028 -1.143 1.00 0.00 H new ATOM 0 HB THR A 38 96.814 -3.065 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.650 -5.068 -0.968 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.220 -3.772 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.617 -2.924 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.513 -4.698 -3.762 1.00 0.00 H new ATOM 608 N SER A 39 99.043 -6.383 -2.099 1.00 0.00 N ATOM 609 CA SER A 39 99.394 -7.681 -2.734 1.00 0.00 C ATOM 610 C SER A 39 98.207 -8.647 -2.700 1.00 0.00 C ATOM 611 O SER A 39 97.232 -8.428 -2.010 1.00 0.00 O ATOM 612 CB SER A 39 100.530 -8.237 -1.879 1.00 0.00 C ATOM 613 OG SER A 39 101.587 -7.285 -1.807 1.00 0.00 O ATOM 0 H SER A 39 98.937 -6.417 -1.085 1.00 0.00 H new ATOM 0 HA SER A 39 99.671 -7.554 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.166 -8.467 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 39 100.897 -9.170 -2.307 1.00 0.00 H new ATOM 0 HG SER A 39 101.632 -6.915 -0.901 1.00 0.00 H new ATOM 619 N GLU A 40 98.296 -9.722 -3.427 1.00 0.00 N ATOM 620 CA GLU A 40 97.191 -10.723 -3.427 1.00 0.00 C ATOM 621 C GLU A 40 97.609 -11.995 -2.667 1.00 0.00 C ATOM 622 O GLU A 40 96.792 -12.842 -2.367 1.00 0.00 O ATOM 623 CB GLU A 40 96.946 -11.035 -4.900 1.00 0.00 C ATOM 624 CG GLU A 40 95.761 -11.993 -5.023 1.00 0.00 C ATOM 625 CD GLU A 40 95.416 -12.203 -6.502 1.00 0.00 C ATOM 626 OE1 GLU A 40 95.858 -11.407 -7.315 1.00 0.00 O ATOM 627 OE2 GLU A 40 94.714 -13.156 -6.795 1.00 0.00 O1- ATOM 0 H GLU A 40 99.089 -9.954 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 40 96.296 -10.346 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.744 -10.116 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 40 97.837 -11.481 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.004 -12.948 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 40 94.899 -11.590 -4.492 1.00 0.00 H new ATOM 634 N ILE A 41 98.873 -12.138 -2.357 1.00 0.00 N ATOM 635 CA ILE A 41 99.343 -13.346 -1.623 1.00 0.00 C ATOM 636 C ILE A 41 100.067 -12.909 -0.330 1.00 0.00 C ATOM 637 O ILE A 41 99.490 -12.209 0.480 1.00 0.00 O ATOM 638 CB ILE A 41 100.271 -14.066 -2.609 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.357 -13.099 -3.109 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.459 -14.573 -3.802 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.447 -13.887 -3.836 1.00 0.00 C ATOM 0 H ILE A 41 99.603 -11.463 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 41 98.538 -14.009 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 41 100.743 -14.908 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 41 100.919 -12.360 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.787 -12.553 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.120 -15.084 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.694 -15.267 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 41 98.983 -13.730 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.217 -13.201 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.892 -14.609 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.011 -14.413 -4.685 1.00 0.00 H new ATOM 653 N ASP A 42 101.319 -13.273 -0.121 1.00 0.00 N ATOM 654 CA ASP A 42 102.013 -12.823 1.111 1.00 0.00 C ATOM 655 C ASP A 42 103.097 -11.808 0.730 1.00 0.00 C ATOM 656 O ASP A 42 103.809 -11.974 -0.242 1.00 0.00 O ATOM 657 CB ASP A 42 102.609 -14.090 1.722 1.00 0.00 C ATOM 658 CG ASP A 42 101.483 -15.006 2.213 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.369 -14.524 2.358 1.00 0.00 O ATOM 660 OD2 ASP A 42 101.751 -16.175 2.430 1.00 0.00 O1- ATOM 0 H ASP A 42 101.873 -13.855 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 42 101.352 -12.329 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.218 -14.610 0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.267 -13.831 2.551 1.00 0.00 H new ATOM 665 N VAL A 43 103.197 -10.741 1.473 1.00 0.00 N ATOM 666 CA VAL A 43 104.200 -9.684 1.150 1.00 0.00 C ATOM 667 C VAL A 43 105.633 -10.214 1.246 1.00 0.00 C ATOM 668 O VAL A 43 106.456 -9.939 0.398 1.00 0.00 O ATOM 669 CB VAL A 43 103.962 -8.582 2.177 1.00 0.00 C ATOM 670 CG1 VAL A 43 104.938 -7.434 1.921 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.525 -8.073 2.051 1.00 0.00 C ATOM 0 H VAL A 43 102.624 -10.553 2.296 1.00 0.00 H new ATOM 0 HA VAL A 43 104.084 -9.327 0.127 1.00 0.00 H new ATOM 0 HB VAL A 43 104.119 -8.975 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 43 104.771 -6.644 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 43 105.961 -7.800 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 43 104.779 -7.038 0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.352 -7.285 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.366 -7.677 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.831 -8.894 2.231 1.00 0.00 H new ATOM 681 N PHE A 44 105.943 -10.970 2.263 1.00 0.00 N ATOM 682 CA PHE A 44 107.329 -11.506 2.384 1.00 0.00 C ATOM 683 C PHE A 44 107.670 -12.357 1.155 1.00 0.00 C ATOM 684 O PHE A 44 108.725 -12.207 0.569 1.00 0.00 O ATOM 685 CB PHE A 44 107.324 -12.369 3.644 1.00 0.00 C ATOM 686 CG PHE A 44 108.722 -12.876 3.890 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.692 -12.017 4.419 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.050 -14.201 3.583 1.00 0.00 C ATOM 689 CE1 PHE A 44 110.993 -12.483 4.638 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.351 -14.668 3.804 1.00 0.00 C ATOM 691 CZ PHE A 44 111.323 -13.809 4.332 1.00 0.00 C ATOM 0 H PHE A 44 105.303 -11.238 3.010 1.00 0.00 H new ATOM 0 HA PHE A 44 108.072 -10.711 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 44 106.977 -11.788 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.634 -13.205 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.437 -10.995 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.300 -14.863 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.743 -11.820 5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.605 -15.691 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.327 -14.169 4.503 1.00 0.00 H new ATOM 701 N ASP A 45 106.784 -13.214 0.730 1.00 0.00 N ATOM 702 CA ASP A 45 107.070 -14.021 -0.491 1.00 0.00 C ATOM 703 C ASP A 45 107.031 -13.088 -1.705 1.00 0.00 C ATOM 704 O ASP A 45 107.821 -13.211 -2.620 1.00 0.00 O ATOM 705 CB ASP A 45 105.947 -15.055 -0.559 1.00 0.00 C ATOM 706 CG ASP A 45 106.338 -16.173 -1.526 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.525 -16.336 -1.764 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.446 -16.849 -2.010 1.00 0.00 O ATOM 0 H ASP A 45 105.881 -13.390 1.170 1.00 0.00 H new ATOM 0 HA ASP A 45 108.046 -14.506 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.758 -15.467 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.022 -14.582 -0.889 1.00 0.00 H new ATOM 713 N ARG A 46 106.130 -12.149 -1.712 1.00 0.00 N ATOM 714 CA ARG A 46 106.047 -11.197 -2.857 1.00 0.00 C ATOM 715 C ARG A 46 107.348 -10.400 -2.988 1.00 0.00 C ATOM 716 O ARG A 46 107.839 -10.184 -4.077 1.00 0.00 O ATOM 717 CB ARG A 46 104.889 -10.265 -2.514 1.00 0.00 C ATOM 718 CG ARG A 46 104.659 -9.295 -3.675 1.00 0.00 C ATOM 719 CD ARG A 46 103.548 -8.321 -3.300 1.00 0.00 C ATOM 720 NE ARG A 46 103.250 -7.558 -4.543 1.00 0.00 N ATOM 721 CZ ARG A 46 102.185 -7.847 -5.244 1.00 0.00 C ATOM 722 NH1 ARG A 46 102.061 -9.027 -5.789 1.00 0.00 N ATOM 723 NH2 ARG A 46 101.244 -6.957 -5.399 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.444 -11.997 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 46 105.894 -11.712 -3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.985 -10.844 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.111 -9.712 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.577 -8.751 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.388 -9.845 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.665 -8.852 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.865 -7.655 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 46 103.875 -6.812 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 46 102.795 -9.724 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.230 -9.251 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.339 -6.035 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.413 -7.183 -5.946 1.00 0.00 H new ATOM 737 N ALA A 47 107.918 -9.959 -1.898 1.00 0.00 N ATOM 738 CA ALA A 47 109.189 -9.183 -1.991 1.00 0.00 C ATOM 739 C ALA A 47 110.330 -10.080 -2.481 1.00 0.00 C ATOM 740 O ALA A 47 111.175 -9.659 -3.244 1.00 0.00 O ATOM 741 CB ALA A 47 109.462 -8.678 -0.575 1.00 0.00 C ATOM 0 H ALA A 47 107.561 -10.101 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 47 109.113 -8.360 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.384 -8.097 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.634 -8.049 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.562 -9.527 0.101 1.00 0.00 H new ATOM 747 N MET A 48 110.359 -11.314 -2.058 1.00 0.00 N ATOM 748 CA MET A 48 111.444 -12.227 -2.517 1.00 0.00 C ATOM 749 C MET A 48 111.327 -12.440 -4.033 1.00 0.00 C ATOM 750 O MET A 48 112.313 -12.407 -4.746 1.00 0.00 O ATOM 751 CB MET A 48 111.215 -13.533 -1.749 1.00 0.00 C ATOM 752 CG MET A 48 112.332 -14.526 -2.071 1.00 0.00 C ATOM 753 SD MET A 48 112.080 -16.044 -1.117 1.00 0.00 S ATOM 754 CE MET A 48 110.575 -16.594 -1.959 1.00 0.00 C ATOM 0 H MET A 48 109.682 -11.728 -1.417 1.00 0.00 H new ATOM 0 HA MET A 48 112.442 -11.831 -2.330 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.189 -13.336 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.248 -13.959 -2.018 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.338 -14.750 -3.138 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.302 -14.090 -1.832 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.731 -16.532 -1.272 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.388 -15.956 -2.823 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.699 -17.625 -2.289 1.00 0.00 H new ATOM 764 N ASP A 49 110.139 -12.630 -4.540 1.00 0.00 N ATOM 765 CA ASP A 49 109.986 -12.816 -6.014 1.00 0.00 C ATOM 766 C ASP A 49 110.402 -11.531 -6.748 1.00 0.00 C ATOM 767 O ASP A 49 111.151 -11.566 -7.704 1.00 0.00 O ATOM 768 CB ASP A 49 108.504 -13.128 -6.242 1.00 0.00 C ATOM 769 CG ASP A 49 108.251 -14.624 -6.045 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.210 -15.378 -6.080 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.102 -14.992 -5.860 1.00 0.00 O ATOM 0 H ASP A 49 109.273 -12.665 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 49 110.617 -13.619 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.891 -12.552 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.211 -12.830 -7.249 1.00 0.00 H new ATOM 776 N VAL A 50 109.935 -10.398 -6.295 1.00 0.00 N ATOM 777 CA VAL A 50 110.316 -9.103 -6.946 1.00 0.00 C ATOM 778 C VAL A 50 111.827 -8.843 -6.790 1.00 0.00 C ATOM 779 O VAL A 50 112.495 -8.470 -7.734 1.00 0.00 O ATOM 780 CB VAL A 50 109.476 -8.036 -6.219 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.951 -6.627 -6.591 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.005 -8.189 -6.618 1.00 0.00 C ATOM 0 H VAL A 50 109.303 -10.310 -5.499 1.00 0.00 H new ATOM 0 HA VAL A 50 110.123 -9.100 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 50 109.592 -8.176 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.345 -5.888 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.996 -6.508 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.851 -6.481 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.408 -7.435 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.905 -8.059 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.653 -9.182 -6.338 1.00 0.00 H new ATOM 792 N PHE A 51 112.373 -9.031 -5.621 1.00 0.00 N ATOM 793 CA PHE A 51 113.836 -8.781 -5.439 1.00 0.00 C ATOM 794 C PHE A 51 114.634 -9.637 -6.429 1.00 0.00 C ATOM 795 O PHE A 51 115.505 -9.145 -7.118 1.00 0.00 O ATOM 796 CB PHE A 51 114.122 -9.218 -4.001 1.00 0.00 C ATOM 797 CG PHE A 51 115.520 -8.809 -3.593 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.638 -9.402 -4.191 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.692 -7.839 -2.600 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.927 -9.021 -3.794 1.00 0.00 C ATOM 801 CE2 PHE A 51 116.978 -7.458 -2.204 1.00 0.00 C ATOM 802 CZ PHE A 51 118.095 -8.048 -2.801 1.00 0.00 C ATOM 0 H PHE A 51 111.876 -9.345 -4.787 1.00 0.00 H new ATOM 0 HA PHE A 51 114.114 -7.742 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.393 -8.769 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.013 -10.299 -3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.508 -10.152 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.829 -7.383 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.791 -9.478 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 51 117.108 -6.708 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.088 -7.754 -2.496 1.00 0.00 H new ATOM 812 N HIS A 52 114.333 -10.901 -6.529 1.00 0.00 N ATOM 813 CA HIS A 52 115.069 -11.762 -7.502 1.00 0.00 C ATOM 814 C HIS A 52 114.630 -11.433 -8.933 1.00 0.00 C ATOM 815 O HIS A 52 115.426 -11.455 -9.852 1.00 0.00 O ATOM 816 CB HIS A 52 114.704 -13.198 -7.133 1.00 0.00 C ATOM 817 CG HIS A 52 115.371 -13.568 -5.838 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.301 -13.022 -4.578 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.250 -14.633 -5.741 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.123 -13.738 -3.714 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.671 -14.697 -4.465 1.00 0.00 N flip ATOM 0 H HIS A 52 113.614 -11.375 -5.983 1.00 0.00 H new ATOM 0 HA HIS A 52 116.147 -11.604 -7.459 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.623 -13.297 -7.039 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.018 -13.879 -7.924 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.544 -15.293 -6.544 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.284 -13.557 -2.661 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.329 -15.393 -4.114 1.00 0.00 H new ATOM 829 N ASN A 53 113.381 -11.120 -9.137 1.00 0.00 N ATOM 830 CA ASN A 53 112.920 -10.785 -10.518 1.00 0.00 C ATOM 831 C ASN A 53 113.693 -9.568 -11.028 1.00 0.00 C ATOM 832 O ASN A 53 114.084 -9.507 -12.176 1.00 0.00 O ATOM 833 CB ASN A 53 111.431 -10.460 -10.388 1.00 0.00 C ATOM 834 CG ASN A 53 110.622 -11.757 -10.320 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.065 -12.790 -10.785 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.447 -11.748 -9.754 1.00 0.00 N ATOM 0 H ASN A 53 112.662 -11.081 -8.415 1.00 0.00 H new ATOM 0 HA ASN A 53 113.086 -11.601 -11.221 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.256 -9.864 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.104 -9.861 -11.238 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.900 -12.607 -9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.075 -10.882 -9.364 1.00 0.00 H new ATOM 843 N LEU A 54 113.934 -8.603 -10.181 1.00 0.00 N ATOM 844 CA LEU A 54 114.708 -7.404 -10.622 1.00 0.00 C ATOM 845 C LEU A 54 116.222 -7.703 -10.611 1.00 0.00 C ATOM 846 O LEU A 54 117.034 -6.831 -10.852 1.00 0.00 O ATOM 847 CB LEU A 54 114.371 -6.321 -9.599 1.00 0.00 C ATOM 848 CG LEU A 54 112.884 -5.979 -9.693 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.509 -5.015 -8.566 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.598 -5.318 -11.043 1.00 0.00 C ATOM 0 H LEU A 54 113.631 -8.592 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 54 114.455 -7.103 -11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.613 -6.667 -8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.973 -5.431 -9.784 1.00 0.00 H new ATOM 0 HG LEU A 54 112.295 -6.892 -9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.449 -4.771 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.713 -5.484 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.098 -4.102 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.538 -5.074 -11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.187 -4.405 -11.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.865 -6.003 -11.847 1.00 0.00 H new ATOM 862 N LYS A 55 116.612 -8.930 -10.327 1.00 0.00 N ATOM 863 CA LYS A 55 118.058 -9.289 -10.294 1.00 0.00 C ATOM 864 C LYS A 55 118.822 -8.412 -9.298 1.00 0.00 C ATOM 865 O LYS A 55 119.982 -8.107 -9.493 1.00 0.00 O ATOM 866 CB LYS A 55 118.579 -9.096 -11.720 1.00 0.00 C ATOM 867 CG LYS A 55 117.969 -10.171 -12.626 1.00 0.00 C ATOM 868 CD LYS A 55 118.516 -10.032 -14.050 1.00 0.00 C ATOM 869 CE LYS A 55 117.907 -11.125 -14.935 1.00 0.00 C ATOM 870 NZ LYS A 55 118.475 -10.888 -16.292 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.977 -9.700 -10.116 1.00 0.00 H new ATOM 0 HA LYS A 55 118.201 -10.317 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.316 -8.103 -12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.667 -9.164 -11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.200 -11.162 -12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.883 -10.077 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.274 -9.047 -14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.603 -10.116 -14.044 1.00 0.00 H new ATOM 0 HE2 LYS A 55 118.165 -12.118 -14.568 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.819 -11.062 -14.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 118.103 -11.599 -16.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 118.208 -9.938 -16.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.512 -10.961 -16.252 1.00 0.00 H new ATOM 884 N MET A 56 118.195 -8.028 -8.217 1.00 0.00 N ATOM 885 CA MET A 56 118.907 -7.199 -7.200 1.00 0.00 C ATOM 886 C MET A 56 119.984 -8.047 -6.517 1.00 0.00 C ATOM 887 O MET A 56 120.982 -7.538 -6.049 1.00 0.00 O ATOM 888 CB MET A 56 117.848 -6.746 -6.194 1.00 0.00 C ATOM 889 CG MET A 56 117.073 -5.551 -6.749 1.00 0.00 C ATOM 890 SD MET A 56 115.798 -5.068 -5.558 1.00 0.00 S ATOM 891 CE MET A 56 116.923 -4.578 -4.226 1.00 0.00 C ATOM 0 H MET A 56 117.225 -8.251 -7.995 1.00 0.00 H new ATOM 0 HA MET A 56 119.401 -6.337 -7.648 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.163 -7.567 -5.981 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.323 -6.475 -5.251 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.750 -4.717 -6.934 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.617 -5.810 -7.704 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.410 -3.895 -3.549 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.242 -5.463 -3.676 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.795 -4.081 -4.651 1.00 0.00 H new ATOM 901 N ASP A 57 119.797 -9.340 -6.469 1.00 0.00 N ATOM 902 CA ASP A 57 120.824 -10.218 -5.832 1.00 0.00 C ATOM 903 C ASP A 57 122.081 -10.300 -6.707 1.00 0.00 C ATOM 904 O ASP A 57 123.086 -10.846 -6.297 1.00 0.00 O ATOM 905 CB ASP A 57 120.169 -11.601 -5.715 1.00 0.00 C ATOM 906 CG ASP A 57 119.656 -12.076 -7.081 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.755 -11.319 -8.035 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 119.178 -13.198 -7.150 1.00 0.00 O ATOM 0 H ASP A 57 118.981 -9.825 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 57 121.135 -9.831 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.890 -12.318 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.343 -11.559 -5.005 1.00 0.00 H new ATOM 913 N ASN A 58 122.048 -9.772 -7.906 1.00 0.00 N ATOM 914 CA ASN A 58 123.258 -9.849 -8.771 1.00 0.00 C ATOM 915 C ASN A 58 124.176 -8.653 -8.505 1.00 0.00 C ATOM 916 O ASN A 58 124.181 -7.672 -9.222 1.00 0.00 O ATOM 917 CB ASN A 58 122.729 -9.847 -10.207 1.00 0.00 C ATOM 918 CG ASN A 58 123.888 -10.040 -11.186 1.00 0.00 C ATOM 919 OD1 ASN A 58 124.614 -9.109 -11.475 1.00 0.00 O ATOM 920 ND2 ASN A 58 124.090 -11.215 -11.717 1.00 0.00 N ATOM 0 H ASN A 58 121.244 -9.297 -8.316 1.00 0.00 H new ATOM 0 HA ASN A 58 123.854 -10.740 -8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 58 121.996 -10.643 -10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.218 -8.907 -10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.857 -11.352 -12.375 1.00 0.00 H new ATOM 0 HD22 ASN A 58 123.481 -11.996 -11.474 1.00 0.00 H new ATOM 927 N THR A 59 124.971 -8.763 -7.476 1.00 0.00 N ATOM 928 CA THR A 59 125.938 -7.686 -7.117 1.00 0.00 C ATOM 929 C THR A 59 127.259 -8.357 -6.726 1.00 0.00 C ATOM 930 O THR A 59 127.290 -9.516 -6.364 1.00 0.00 O ATOM 931 CB THR A 59 125.304 -6.967 -5.924 1.00 0.00 C ATOM 932 OG1 THR A 59 124.095 -6.346 -6.339 1.00 0.00 O ATOM 933 CG2 THR A 59 126.264 -5.907 -5.381 1.00 0.00 C ATOM 0 H THR A 59 124.991 -9.572 -6.855 1.00 0.00 H new ATOM 0 HA THR A 59 126.142 -6.983 -7.925 1.00 0.00 H new ATOM 0 HB THR A 59 125.094 -7.692 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 59 123.685 -5.886 -5.577 1.00 0.00 H new ATOM 0 HG21 THR A 59 125.804 -5.400 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 59 127.190 -6.385 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 59 126.483 -5.180 -6.163 1.00 0.00 H new ATOM 941 N LYS A 60 128.354 -7.655 -6.835 1.00 0.00 N ATOM 942 CA LYS A 60 129.670 -8.280 -6.508 1.00 0.00 C ATOM 943 C LYS A 60 129.729 -8.760 -5.057 1.00 0.00 C ATOM 944 O LYS A 60 130.155 -9.865 -4.784 1.00 0.00 O ATOM 945 CB LYS A 60 130.712 -7.189 -6.739 1.00 0.00 C ATOM 946 CG LYS A 60 132.104 -7.783 -6.522 1.00 0.00 C ATOM 947 CD LYS A 60 133.172 -6.721 -6.788 1.00 0.00 C ATOM 948 CE LYS A 60 134.556 -7.340 -6.585 1.00 0.00 C ATOM 949 NZ LYS A 60 135.519 -6.244 -6.881 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.396 -6.681 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 60 129.842 -9.159 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.625 -6.792 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.546 -6.357 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.195 -8.155 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.253 -8.635 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.077 -6.338 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.036 -5.875 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.678 -7.707 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.709 -8.190 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 136.491 -6.594 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 135.385 -5.919 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 135.355 -5.452 -6.228 1.00 0.00 H new ATOM 963 N LEU A 61 129.315 -7.949 -4.123 1.00 0.00 N ATOM 964 CA LEU A 61 129.364 -8.386 -2.699 1.00 0.00 C ATOM 965 C LEU A 61 127.993 -8.913 -2.235 1.00 0.00 C ATOM 966 O LEU A 61 127.828 -9.290 -1.092 1.00 0.00 O ATOM 967 CB LEU A 61 129.779 -7.144 -1.909 1.00 0.00 C ATOM 968 CG LEU A 61 131.159 -6.677 -2.376 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.488 -5.331 -1.724 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.214 -7.710 -1.970 1.00 0.00 C ATOM 0 H LEU A 61 128.948 -7.011 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 61 130.065 -9.207 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.047 -6.349 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.802 -7.369 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 61 131.157 -6.567 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.471 -4.997 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.738 -4.594 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.489 -5.443 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.197 -7.377 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.217 -7.821 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.981 -8.669 -2.432 1.00 0.00 H new ATOM 982 N GLN A 62 127.016 -8.962 -3.113 1.00 0.00 N ATOM 983 CA GLN A 62 125.672 -9.491 -2.734 1.00 0.00 C ATOM 984 C GLN A 62 125.099 -8.745 -1.529 1.00 0.00 C ATOM 985 O GLN A 62 124.553 -9.317 -0.607 1.00 0.00 O ATOM 986 CB GLN A 62 125.901 -10.966 -2.395 1.00 0.00 C ATOM 987 CG GLN A 62 126.346 -11.722 -3.650 1.00 0.00 C ATOM 988 CD GLN A 62 126.642 -13.177 -3.281 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.425 -13.585 -2.157 1.00 0.00 O ATOM 990 NE2 GLN A 62 127.129 -13.984 -4.184 1.00 0.00 N ATOM 0 H GLN A 62 127.097 -8.655 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 62 124.951 -9.361 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.659 -11.057 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.985 -11.405 -2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.567 -11.678 -4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.234 -11.254 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.312 -13.643 -5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.327 -14.956 -3.946 1.00 0.00 H new ATOM 999 N ASN A 63 125.239 -7.453 -1.564 1.00 0.00 N ATOM 1000 CA ASN A 63 124.735 -6.569 -0.476 1.00 0.00 C ATOM 1001 C ASN A 63 123.689 -5.595 -1.024 1.00 0.00 C ATOM 1002 O ASN A 63 123.796 -4.398 -0.870 1.00 0.00 O ATOM 1003 CB ASN A 63 125.967 -5.810 0.023 1.00 0.00 C ATOM 1004 CG ASN A 63 126.851 -6.744 0.853 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.390 -7.753 1.349 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.111 -6.450 1.022 1.00 0.00 N ATOM 0 H ASN A 63 125.697 -6.955 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 63 124.253 -7.133 0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.531 -5.417 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.659 -4.955 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.710 -7.067 1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.497 -5.603 0.605 1.00 0.00 H new ATOM 1013 N GLY A 64 122.660 -6.112 -1.640 1.00 0.00 N ATOM 1014 CA GLY A 64 121.583 -5.232 -2.174 1.00 0.00 C ATOM 1015 C GLY A 64 120.377 -5.286 -1.227 1.00 0.00 C ATOM 1016 O GLY A 64 120.038 -6.329 -0.703 1.00 0.00 O ATOM 0 H GLY A 64 122.519 -7.110 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.944 -4.208 -2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.292 -5.557 -3.173 1.00 0.00 H new ATOM 1020 N VAL A 65 119.729 -4.173 -0.999 1.00 0.00 N ATOM 1021 CA VAL A 65 118.552 -4.186 -0.078 1.00 0.00 C ATOM 1022 C VAL A 65 117.312 -3.618 -0.775 1.00 0.00 C ATOM 1023 O VAL A 65 117.361 -2.602 -1.437 1.00 0.00 O ATOM 1024 CB VAL A 65 118.960 -3.314 1.122 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.760 -3.088 2.050 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.065 -4.016 1.902 1.00 0.00 C ATOM 0 H VAL A 65 119.959 -3.266 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 65 118.292 -5.198 0.233 1.00 0.00 H new ATOM 0 HB VAL A 65 119.313 -2.351 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.064 -2.469 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.964 -2.585 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.397 -4.048 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.357 -3.401 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.703 -4.980 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.927 -4.170 1.253 1.00 0.00 H new ATOM 1036 N LEU A 66 116.196 -4.276 -0.613 1.00 0.00 N ATOM 1037 CA LEU A 66 114.939 -3.789 -1.241 1.00 0.00 C ATOM 1038 C LEU A 66 113.930 -3.413 -0.155 1.00 0.00 C ATOM 1039 O LEU A 66 113.616 -4.206 0.712 1.00 0.00 O ATOM 1040 CB LEU A 66 114.411 -4.989 -2.028 1.00 0.00 C ATOM 1041 CG LEU A 66 113.176 -4.579 -2.842 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.526 -3.421 -3.777 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.702 -5.772 -3.677 1.00 0.00 C ATOM 0 H LEU A 66 116.103 -5.134 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 66 115.101 -2.911 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.187 -5.368 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.154 -5.798 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 66 112.387 -4.264 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.644 -3.137 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.866 -2.569 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.318 -3.731 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.825 -5.485 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.498 -6.082 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.445 -6.600 -3.016 1.00 0.00 H new ATOM 1055 N ILE A 67 113.408 -2.221 -0.211 1.00 0.00 N ATOM 1056 CA ILE A 67 112.401 -1.827 0.814 1.00 0.00 C ATOM 1057 C ILE A 67 111.015 -1.835 0.177 1.00 0.00 C ATOM 1058 O ILE A 67 110.636 -0.924 -0.530 1.00 0.00 O ATOM 1059 CB ILE A 67 112.789 -0.426 1.293 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.140 -0.479 2.008 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.726 0.094 2.260 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.633 0.946 2.263 1.00 0.00 C ATOM 0 H ILE A 67 113.629 -1.512 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 67 112.379 -2.515 1.659 1.00 0.00 H new ATOM 0 HB ILE A 67 112.861 0.240 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.044 -1.017 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.864 -1.024 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.002 1.092 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.762 0.138 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.655 -0.576 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.596 0.912 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.744 1.468 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.911 1.475 2.886 1.00 0.00 H new ATOM 1074 N TYR A 68 110.258 -2.869 0.416 1.00 0.00 N ATOM 1075 CA TYR A 68 108.900 -2.954 -0.183 1.00 0.00 C ATOM 1076 C TYR A 68 107.888 -2.252 0.718 1.00 0.00 C ATOM 1077 O TYR A 68 107.753 -2.561 1.884 1.00 0.00 O ATOM 1078 CB TYR A 68 108.608 -4.457 -0.250 1.00 0.00 C ATOM 1079 CG TYR A 68 107.245 -4.696 -0.857 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.104 -4.665 -0.047 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.122 -4.954 -2.228 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.839 -4.891 -0.605 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.857 -5.181 -2.789 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.714 -5.149 -1.978 1.00 0.00 C ATOM 1085 OH TYR A 68 103.466 -5.376 -2.537 1.00 0.00 O ATOM 0 H TYR A 68 110.523 -3.660 1.002 1.00 0.00 H new ATOM 0 HA TYR A 68 108.838 -2.477 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.372 -4.957 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.650 -4.888 0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.199 -4.466 1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.002 -4.978 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.960 -4.867 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.763 -5.381 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 68 102.920 -5.902 -1.916 1.00 0.00 H new ATOM 1095 N VAL A 69 107.190 -1.294 0.181 1.00 0.00 N ATOM 1096 CA VAL A 69 106.195 -0.551 0.998 1.00 0.00 C ATOM 1097 C VAL A 69 104.796 -0.710 0.398 1.00 0.00 C ATOM 1098 O VAL A 69 104.570 -0.477 -0.774 1.00 0.00 O ATOM 1099 CB VAL A 69 106.654 0.920 0.947 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.592 1.830 1.576 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.964 1.078 1.723 1.00 0.00 C ATOM 0 H VAL A 69 107.266 -0.993 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 69 106.139 -0.919 2.022 1.00 0.00 H new ATOM 0 HB VAL A 69 106.802 1.202 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.929 2.866 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.656 1.730 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.435 1.542 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.286 2.119 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.810 0.783 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.730 0.445 1.276 1.00 0.00 H new ATOM 1111 N ALA A 70 103.856 -1.078 1.219 1.00 0.00 N ATOM 1112 CA ALA A 70 102.456 -1.230 0.756 1.00 0.00 C ATOM 1113 C ALA A 70 101.693 0.034 1.147 1.00 0.00 C ATOM 1114 O ALA A 70 101.078 0.100 2.192 1.00 0.00 O ATOM 1115 CB ALA A 70 101.925 -2.445 1.520 1.00 0.00 C ATOM 0 H ALA A 70 104.003 -1.283 2.207 1.00 0.00 H new ATOM 0 HA ALA A 70 102.357 -1.367 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.889 -2.629 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.529 -3.320 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.978 -2.253 2.592 1.00 0.00 H new ATOM 1121 N VAL A 71 101.760 1.054 0.336 1.00 0.00 N ATOM 1122 CA VAL A 71 101.069 2.330 0.691 1.00 0.00 C ATOM 1123 C VAL A 71 99.574 2.104 0.896 1.00 0.00 C ATOM 1124 O VAL A 71 98.930 2.855 1.601 1.00 0.00 O ATOM 1125 CB VAL A 71 101.316 3.294 -0.474 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.803 3.614 -0.564 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.861 2.665 -1.792 1.00 0.00 C ATOM 0 H VAL A 71 102.260 1.061 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 71 101.455 2.734 1.627 1.00 0.00 H new ATOM 0 HB VAL A 71 100.747 4.207 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.978 4.300 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 71 103.132 4.077 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.364 2.694 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 71 101.043 3.362 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 71 101.419 1.745 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.796 2.439 -1.739 1.00 0.00 H new ATOM 1137 N GLU A 72 99.018 1.067 0.327 1.00 0.00 N ATOM 1138 CA GLU A 72 97.571 0.809 0.550 1.00 0.00 C ATOM 1139 C GLU A 72 97.368 0.463 2.029 1.00 0.00 C ATOM 1140 O GLU A 72 96.445 0.933 2.663 1.00 0.00 O ATOM 1141 CB GLU A 72 97.237 -0.376 -0.350 1.00 0.00 C ATOM 1142 CG GLU A 72 95.737 -0.654 -0.292 1.00 0.00 C ATOM 1143 CD GLU A 72 94.960 0.502 -0.938 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.590 1.383 -1.504 1.00 0.00 O ATOM 1145 OE2 GLU A 72 93.742 0.485 -0.856 1.00 0.00 O1- ATOM 0 H GLU A 72 99.498 0.397 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 72 96.932 1.661 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.539 -0.163 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 72 97.793 -1.257 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 72 95.512 -1.587 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 72 95.422 -0.780 0.744 1.00 0.00 H new ATOM 1152 N ASP A 73 98.237 -0.339 2.590 1.00 0.00 N ATOM 1153 CA ASP A 73 98.109 -0.688 4.039 1.00 0.00 C ATOM 1154 C ASP A 73 99.112 0.110 4.889 1.00 0.00 C ATOM 1155 O ASP A 73 99.247 -0.123 6.073 1.00 0.00 O ATOM 1156 CB ASP A 73 98.418 -2.185 4.132 1.00 0.00 C ATOM 1157 CG ASP A 73 97.273 -2.998 3.520 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.220 -2.427 3.287 1.00 0.00 O ATOM 1159 OD2 ASP A 73 97.468 -4.183 3.305 1.00 0.00 O1- ATOM 0 H ASP A 73 99.028 -0.767 2.109 1.00 0.00 H new ATOM 0 HA ASP A 73 97.114 -0.449 4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.350 -2.405 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.561 -2.471 5.174 1.00 0.00 H new ATOM 1164 N LYS A 74 99.819 1.045 4.304 1.00 0.00 N ATOM 1165 CA LYS A 74 100.803 1.840 5.091 1.00 0.00 C ATOM 1166 C LYS A 74 101.771 0.920 5.852 1.00 0.00 C ATOM 1167 O LYS A 74 102.041 1.124 7.019 1.00 0.00 O ATOM 1168 CB LYS A 74 99.966 2.666 6.067 1.00 0.00 C ATOM 1169 CG LYS A 74 100.597 4.052 6.218 1.00 0.00 C ATOM 1170 CD LYS A 74 99.699 4.942 7.079 1.00 0.00 C ATOM 1171 CE LYS A 74 100.344 6.322 7.224 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.422 7.094 8.103 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.755 1.290 3.316 1.00 0.00 H new ATOM 0 HA LYS A 74 101.418 2.469 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.943 2.756 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.916 2.168 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.583 3.965 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.740 4.505 5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.714 5.035 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.554 4.491 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.338 6.248 7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.461 6.806 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.800 8.052 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.485 7.155 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.336 6.614 9.022 1.00 0.00 H new ATOM 1186 N THR A 75 102.296 -0.085 5.200 1.00 0.00 N ATOM 1187 CA THR A 75 103.250 -1.014 5.886 1.00 0.00 C ATOM 1188 C THR A 75 104.582 -1.041 5.123 1.00 0.00 C ATOM 1189 O THR A 75 104.685 -0.535 4.022 1.00 0.00 O ATOM 1190 CB THR A 75 102.574 -2.386 5.845 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.443 -2.807 4.495 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.190 -2.299 6.492 1.00 0.00 C ATOM 0 H THR A 75 102.107 -0.304 4.222 1.00 0.00 H new ATOM 0 HA THR A 75 103.470 -0.708 6.909 1.00 0.00 H new ATOM 0 HB THR A 75 103.182 -3.106 6.394 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.525 -3.110 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.712 -3.278 6.461 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.292 -1.978 7.529 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.579 -1.579 5.948 1.00 0.00 H new ATOM 1200 N PHE A 76 105.608 -1.619 5.698 1.00 0.00 N ATOM 1201 CA PHE A 76 106.931 -1.668 5.004 1.00 0.00 C ATOM 1202 C PHE A 76 107.683 -2.961 5.344 1.00 0.00 C ATOM 1203 O PHE A 76 107.641 -3.446 6.458 1.00 0.00 O ATOM 1204 CB PHE A 76 107.694 -0.450 5.540 1.00 0.00 C ATOM 1205 CG PHE A 76 107.817 -0.542 7.042 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.768 -0.094 7.852 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.979 -1.065 7.626 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.876 -0.174 9.244 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.086 -1.143 9.020 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.034 -0.698 9.827 1.00 0.00 C ATOM 0 H PHE A 76 105.586 -2.059 6.618 1.00 0.00 H new ATOM 0 HA PHE A 76 106.824 -1.651 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.684 -0.402 5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.173 0.467 5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.875 0.314 7.402 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.791 -1.407 7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.065 0.169 9.869 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.980 -1.546 9.472 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.116 -0.759 10.902 1.00 0.00 H new ATOM 1220 N VAL A 77 108.385 -3.509 4.385 1.00 0.00 N ATOM 1221 CA VAL A 77 109.163 -4.760 4.621 1.00 0.00 C ATOM 1222 C VAL A 77 110.606 -4.542 4.134 1.00 0.00 C ATOM 1223 O VAL A 77 110.819 -4.014 3.060 1.00 0.00 O ATOM 1224 CB VAL A 77 108.454 -5.829 3.764 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.304 -7.104 3.685 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.099 -6.170 4.387 1.00 0.00 C ATOM 0 H VAL A 77 108.452 -3.137 3.438 1.00 0.00 H new ATOM 0 HA VAL A 77 109.207 -5.052 5.670 1.00 0.00 H new ATOM 0 HB VAL A 77 108.313 -5.431 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.789 -7.848 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.268 -6.871 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.459 -7.501 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.599 -6.925 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.249 -6.555 5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.482 -5.272 4.430 1.00 0.00 H new ATOM 1236 N ILE A 78 111.593 -4.954 4.887 1.00 0.00 N ATOM 1237 CA ILE A 78 112.996 -4.764 4.414 1.00 0.00 C ATOM 1238 C ILE A 78 113.656 -6.129 4.156 1.00 0.00 C ATOM 1239 O ILE A 78 113.613 -7.024 4.979 1.00 0.00 O ATOM 1240 CB ILE A 78 113.707 -4.002 5.532 1.00 0.00 C ATOM 1241 CG1 ILE A 78 113.003 -2.667 5.767 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.151 -3.728 5.111 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.507 -2.049 7.072 1.00 0.00 C ATOM 0 H ILE A 78 111.491 -5.407 5.795 1.00 0.00 H new ATOM 0 HA ILE A 78 113.045 -4.213 3.475 1.00 0.00 H new ATOM 0 HB ILE A 78 113.687 -4.596 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.195 -1.991 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.924 -2.816 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.664 -3.184 5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.663 -4.673 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.157 -3.131 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 78 113.005 -1.096 7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.293 -2.724 7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.583 -1.886 7.006 1.00 0.00 H new ATOM 1255 N TYR A 79 114.245 -6.292 2.999 1.00 0.00 N ATOM 1256 CA TYR A 79 114.897 -7.592 2.646 1.00 0.00 C ATOM 1257 C TYR A 79 116.263 -7.357 1.981 1.00 0.00 C ATOM 1258 O TYR A 79 116.350 -6.811 0.898 1.00 0.00 O ATOM 1259 CB TYR A 79 113.920 -8.253 1.665 1.00 0.00 C ATOM 1260 CG TYR A 79 114.382 -9.657 1.351 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.357 -10.633 2.353 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.842 -9.984 0.066 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.788 -11.935 2.077 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.275 -11.287 -0.209 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.248 -12.261 0.796 1.00 0.00 C ATOM 1266 OH TYR A 79 115.677 -13.545 0.524 1.00 0.00 O ATOM 0 H TYR A 79 114.303 -5.574 2.277 1.00 0.00 H new ATOM 0 HA TYR A 79 115.090 -8.211 3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.919 -8.277 2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.859 -7.667 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.004 -10.381 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.862 -9.232 -0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.766 -12.688 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.630 -11.541 -1.197 1.00 0.00 H new ATOM 0 HH TYR A 79 115.963 -13.603 -0.412 1.00 0.00 H new ATOM 1276 N GLY A 80 117.332 -7.763 2.626 1.00 0.00 N ATOM 1277 CA GLY A 80 118.689 -7.561 2.032 1.00 0.00 C ATOM 1278 C GLY A 80 119.192 -8.864 1.407 1.00 0.00 C ATOM 1279 O GLY A 80 118.559 -9.897 1.497 1.00 0.00 O ATOM 0 H GLY A 80 117.322 -8.224 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.650 -6.778 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.385 -7.226 2.801 1.00 0.00 H new ATOM 1283 N ASP A 81 120.325 -8.812 0.756 1.00 0.00 N ATOM 1284 CA ASP A 81 120.872 -10.037 0.102 1.00 0.00 C ATOM 1285 C ASP A 81 121.547 -10.944 1.126 1.00 0.00 C ATOM 1286 O ASP A 81 121.671 -10.607 2.288 1.00 0.00 O ATOM 1287 CB ASP A 81 121.905 -9.531 -0.908 1.00 0.00 C ATOM 1288 CG ASP A 81 121.203 -9.123 -2.200 1.00 0.00 C ATOM 1289 OD1 ASP A 81 120.172 -9.701 -2.495 1.00 0.00 O ATOM 1290 OD2 ASP A 81 121.709 -8.238 -2.871 1.00 0.00 O1- ATOM 0 H ASP A 81 120.895 -7.973 0.649 1.00 0.00 H new ATOM 0 HA ASP A 81 120.083 -10.622 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 81 122.447 -8.681 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.640 -10.310 -1.112 1.00 0.00 H new ATOM 1295 N LYS A 82 121.999 -12.090 0.700 1.00 0.00 N ATOM 1296 CA LYS A 82 122.682 -13.012 1.642 1.00 0.00 C ATOM 1297 C LYS A 82 123.937 -12.335 2.198 1.00 0.00 C ATOM 1298 O LYS A 82 124.380 -12.623 3.282 1.00 0.00 O ATOM 1299 CB LYS A 82 123.050 -14.257 0.820 1.00 0.00 C ATOM 1300 CG LYS A 82 121.776 -15.013 0.426 1.00 0.00 C ATOM 1301 CD LYS A 82 122.148 -16.292 -0.334 1.00 0.00 C ATOM 1302 CE LYS A 82 120.872 -17.058 -0.698 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.342 -18.288 -1.399 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.924 -12.426 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 82 122.051 -13.278 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.601 -13.964 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.705 -14.907 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.199 -15.262 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 82 121.143 -14.380 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.705 -16.042 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.798 -16.916 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.295 -17.308 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.224 -16.462 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.522 -18.863 -1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.882 -18.020 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.950 -18.840 -0.761 1.00 0.00 H new ATOM 1317 N GLY A 83 124.512 -11.432 1.456 1.00 0.00 N ATOM 1318 CA GLY A 83 125.747 -10.751 1.941 1.00 0.00 C ATOM 1319 C GLY A 83 125.461 -9.932 3.206 1.00 0.00 C ATOM 1320 O GLY A 83 126.117 -10.103 4.222 1.00 0.00 O ATOM 0 H GLY A 83 124.183 -11.135 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.518 -11.493 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.137 -10.098 1.161 1.00 0.00 H new ATOM 1324 N ILE A 84 124.482 -9.064 3.180 1.00 0.00 N ATOM 1325 CA ILE A 84 124.175 -8.275 4.407 1.00 0.00 C ATOM 1326 C ILE A 84 123.689 -9.233 5.496 1.00 0.00 C ATOM 1327 O ILE A 84 124.057 -9.121 6.641 1.00 0.00 O ATOM 1328 CB ILE A 84 123.083 -7.296 3.987 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.662 -6.286 2.996 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.554 -6.544 5.207 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.513 -5.538 2.335 1.00 0.00 C ATOM 0 H ILE A 84 123.890 -8.870 2.373 1.00 0.00 H new ATOM 0 HA ILE A 84 125.036 -7.741 4.809 1.00 0.00 H new ATOM 0 HB ILE A 84 122.268 -7.852 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.322 -5.587 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.263 -6.797 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.775 -5.848 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.140 -7.255 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.369 -5.991 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.911 -4.813 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.872 -6.246 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.932 -5.018 3.096 1.00 0.00 H new ATOM 1343 N ASN A 85 122.831 -10.157 5.161 1.00 0.00 N ATOM 1344 CA ASN A 85 122.303 -11.084 6.204 1.00 0.00 C ATOM 1345 C ASN A 85 123.436 -11.905 6.821 1.00 0.00 C ATOM 1346 O ASN A 85 123.427 -12.192 8.002 1.00 0.00 O ATOM 1347 CB ASN A 85 121.330 -12.010 5.478 1.00 0.00 C ATOM 1348 CG ASN A 85 120.012 -11.283 5.208 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.748 -10.240 5.772 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.164 -11.806 4.365 1.00 0.00 N ATOM 0 H ASN A 85 122.474 -10.311 4.218 1.00 0.00 H new ATOM 0 HA ASN A 85 121.822 -10.536 7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.768 -12.345 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.146 -12.900 6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.277 -11.339 4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.389 -12.682 3.893 1.00 0.00 H new ATOM 1357 N ASP A 86 124.401 -12.300 6.038 1.00 0.00 N ATOM 1358 CA ASP A 86 125.518 -13.118 6.590 1.00 0.00 C ATOM 1359 C ASP A 86 126.473 -12.286 7.454 1.00 0.00 C ATOM 1360 O ASP A 86 127.224 -12.828 8.243 1.00 0.00 O ATOM 1361 CB ASP A 86 126.280 -13.634 5.365 1.00 0.00 C ATOM 1362 CG ASP A 86 125.447 -14.675 4.611 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.412 -15.065 5.123 1.00 0.00 O ATOM 1364 OD2 ASP A 86 125.855 -15.051 3.523 1.00 0.00 O1- ATOM 0 H ASP A 86 124.465 -12.092 5.041 1.00 0.00 H new ATOM 0 HA ASP A 86 125.128 -13.912 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.519 -12.803 4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.226 -14.075 5.678 1.00 0.00 H new ATOM 1369 N VAL A 87 126.496 -10.985 7.290 1.00 0.00 N ATOM 1370 CA VAL A 87 127.462 -10.168 8.091 1.00 0.00 C ATOM 1371 C VAL A 87 126.781 -9.355 9.201 1.00 0.00 C ATOM 1372 O VAL A 87 127.438 -8.921 10.130 1.00 0.00 O ATOM 1373 CB VAL A 87 128.117 -9.225 7.079 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.767 -10.037 5.958 1.00 0.00 C ATOM 1375 CG2 VAL A 87 127.057 -8.296 6.485 1.00 0.00 C ATOM 0 H VAL A 87 125.900 -10.461 6.649 1.00 0.00 H new ATOM 0 HA VAL A 87 128.175 -10.816 8.601 1.00 0.00 H new ATOM 0 HB VAL A 87 128.880 -8.633 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 87 129.232 -9.360 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.526 -10.696 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 87 128.007 -10.634 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.524 -7.625 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 87 126.292 -8.890 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.598 -7.711 7.282 1.00 0.00 H new ATOM 1385 N VAL A 88 125.495 -9.116 9.122 1.00 0.00 N ATOM 1386 CA VAL A 88 124.842 -8.300 10.192 1.00 0.00 C ATOM 1387 C VAL A 88 123.741 -9.093 10.903 1.00 0.00 C ATOM 1388 O VAL A 88 123.289 -10.117 10.429 1.00 0.00 O ATOM 1389 CB VAL A 88 124.273 -7.068 9.487 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.389 -6.372 8.704 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.153 -7.480 8.542 1.00 0.00 C ATOM 0 H VAL A 88 124.879 -9.443 8.378 1.00 0.00 H new ATOM 0 HA VAL A 88 125.555 -8.019 10.968 1.00 0.00 H new ATOM 0 HB VAL A 88 123.869 -6.380 10.230 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.986 -5.493 8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.179 -6.067 9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.797 -7.060 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.754 -6.596 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.543 -8.172 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.359 -7.967 9.109 1.00 0.00 H new ATOM 1401 N SER A 89 123.337 -8.641 12.056 1.00 0.00 N ATOM 1402 CA SER A 89 122.301 -9.381 12.832 1.00 0.00 C ATOM 1403 C SER A 89 120.954 -8.644 12.840 1.00 0.00 C ATOM 1404 O SER A 89 120.833 -7.529 12.361 1.00 0.00 O ATOM 1405 CB SER A 89 122.881 -9.475 14.244 1.00 0.00 C ATOM 1406 OG SER A 89 123.832 -10.533 14.286 1.00 0.00 O ATOM 0 H SER A 89 123.680 -7.788 12.497 1.00 0.00 H new ATOM 0 HA SER A 89 122.091 -10.358 12.396 1.00 0.00 H new ATOM 0 HB2 SER A 89 123.354 -8.533 14.520 1.00 0.00 H new ATOM 0 HB3 SER A 89 122.085 -9.656 14.966 1.00 0.00 H new ATOM 0 HG SER A 89 124.209 -10.598 15.188 1.00 0.00 H new ATOM 1412 N ASP A 90 119.941 -9.263 13.382 1.00 0.00 N ATOM 1413 CA ASP A 90 118.599 -8.611 13.421 1.00 0.00 C ATOM 1414 C ASP A 90 118.665 -7.322 14.239 1.00 0.00 C ATOM 1415 O ASP A 90 118.037 -6.335 13.908 1.00 0.00 O ATOM 1416 CB ASP A 90 117.689 -9.634 14.100 1.00 0.00 C ATOM 1417 CG ASP A 90 117.168 -10.644 13.066 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.400 -10.439 11.884 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.549 -11.611 13.478 1.00 0.00 O1- ATOM 0 H ASP A 90 119.984 -10.192 13.800 1.00 0.00 H new ATOM 0 HA ASP A 90 118.238 -8.338 12.429 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.237 -10.155 14.885 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.851 -9.126 14.579 1.00 0.00 H new ATOM 1424 N ASP A 91 119.429 -7.316 15.296 1.00 0.00 N ATOM 1425 CA ASP A 91 119.542 -6.079 16.119 1.00 0.00 C ATOM 1426 C ASP A 91 120.129 -4.956 15.263 1.00 0.00 C ATOM 1427 O ASP A 91 119.725 -3.814 15.359 1.00 0.00 O ATOM 1428 CB ASP A 91 120.465 -6.432 17.291 1.00 0.00 C ATOM 1429 CG ASP A 91 121.830 -6.926 16.786 1.00 0.00 C ATOM 1430 OD1 ASP A 91 121.928 -7.300 15.627 1.00 0.00 O ATOM 1431 OD2 ASP A 91 122.762 -6.921 17.576 1.00 0.00 O1- ATOM 0 H ASP A 91 119.978 -8.110 15.625 1.00 0.00 H new ATOM 0 HA ASP A 91 118.576 -5.733 16.488 1.00 0.00 H new ATOM 0 HB2 ASP A 91 120.603 -5.557 17.926 1.00 0.00 H new ATOM 0 HB3 ASP A 91 120.000 -7.202 17.906 1.00 0.00 H new ATOM 1436 N PHE A 92 121.042 -5.280 14.392 1.00 0.00 N ATOM 1437 CA PHE A 92 121.601 -4.238 13.490 1.00 0.00 C ATOM 1438 C PHE A 92 120.494 -3.765 12.535 1.00 0.00 C ATOM 1439 O PHE A 92 120.521 -2.660 12.030 1.00 0.00 O ATOM 1440 CB PHE A 92 122.762 -4.907 12.738 1.00 0.00 C ATOM 1441 CG PHE A 92 123.257 -3.995 11.640 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.136 -2.948 11.937 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.819 -4.192 10.325 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.582 -2.100 10.915 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.262 -3.345 9.305 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.143 -2.296 9.599 1.00 0.00 C ATOM 0 H PHE A 92 121.424 -6.217 14.266 1.00 0.00 H new ATOM 0 HA PHE A 92 121.962 -3.360 14.025 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.574 -5.131 13.430 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.433 -5.856 12.314 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.470 -2.794 12.952 1.00 0.00 H new ATOM 0 HD2 PHE A 92 122.138 -4.999 10.098 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.265 -1.295 11.142 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.925 -3.499 8.291 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.483 -1.639 8.812 1.00 0.00 H new ATOM 1456 N TRP A 93 119.524 -4.606 12.289 1.00 0.00 N ATOM 1457 CA TRP A 93 118.410 -4.234 11.377 1.00 0.00 C ATOM 1458 C TRP A 93 117.308 -3.484 12.148 1.00 0.00 C ATOM 1459 O TRP A 93 116.535 -2.732 11.591 1.00 0.00 O ATOM 1460 CB TRP A 93 117.889 -5.584 10.882 1.00 0.00 C ATOM 1461 CG TRP A 93 118.490 -5.927 9.554 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.798 -6.207 9.332 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.825 -6.054 8.266 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.970 -6.494 7.989 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.786 -6.411 7.291 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.495 -5.893 7.852 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.439 -6.603 5.954 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.142 -6.086 6.509 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.112 -6.439 5.562 1.00 0.00 C ATOM 0 H TRP A 93 119.458 -5.543 12.686 1.00 0.00 H new ATOM 0 HA TRP A 93 118.724 -3.574 10.569 1.00 0.00 H new ATOM 0 HB2 TRP A 93 118.130 -6.361 11.608 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.803 -5.552 10.798 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.577 -6.206 10.080 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.866 -6.738 7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.738 -5.619 8.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.192 -6.876 5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.114 -5.962 6.202 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.832 -6.584 4.529 1.00 0.00 H new ATOM 1480 N ASP A 94 117.205 -3.728 13.424 1.00 0.00 N ATOM 1481 CA ASP A 94 116.122 -3.086 14.234 1.00 0.00 C ATOM 1482 C ASP A 94 116.124 -1.559 14.130 1.00 0.00 C ATOM 1483 O ASP A 94 115.068 -0.952 14.093 1.00 0.00 O ATOM 1484 CB ASP A 94 116.397 -3.512 15.676 1.00 0.00 C ATOM 1485 CG ASP A 94 115.772 -4.886 15.952 1.00 0.00 C ATOM 1486 OD1 ASP A 94 115.064 -5.385 15.090 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 116.006 -5.411 17.027 1.00 0.00 O ATOM 0 H ASP A 94 117.825 -4.347 13.947 1.00 0.00 H new ATOM 0 HA ASP A 94 115.143 -3.400 13.872 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.472 -3.551 15.852 1.00 0.00 H new ATOM 0 HB3 ASP A 94 115.988 -2.773 16.365 1.00 0.00 H new ATOM 1492 N THR A 95 117.266 -0.920 14.103 1.00 0.00 N ATOM 1493 CA THR A 95 117.256 0.573 14.026 1.00 0.00 C ATOM 1494 C THR A 95 116.608 1.002 12.708 1.00 0.00 C ATOM 1495 O THR A 95 115.913 1.995 12.619 1.00 0.00 O ATOM 1496 CB THR A 95 118.718 1.012 14.102 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.357 0.332 15.173 1.00 0.00 O ATOM 1498 CG2 THR A 95 118.787 2.521 14.333 1.00 0.00 C ATOM 0 H THR A 95 118.188 -1.356 14.130 1.00 0.00 H new ATOM 0 HA THR A 95 116.683 1.030 14.833 1.00 0.00 H new ATOM 0 HB THR A 95 119.223 0.770 13.167 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.295 0.610 15.223 1.00 0.00 H new ATOM 0 HG21 THR A 95 119.830 2.833 14.387 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.296 3.038 13.509 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.285 2.769 15.268 1.00 0.00 H new ATOM 1506 N THR A 96 116.846 0.225 11.686 1.00 0.00 N ATOM 1507 CA THR A 96 116.277 0.514 10.332 1.00 0.00 C ATOM 1508 C THR A 96 114.750 0.580 10.375 1.00 0.00 C ATOM 1509 O THR A 96 114.122 1.491 9.863 1.00 0.00 O ATOM 1510 CB THR A 96 116.662 -0.725 9.517 1.00 0.00 C ATOM 1511 OG1 THR A 96 118.040 -1.012 9.715 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.411 -0.456 8.035 1.00 0.00 C ATOM 0 H THR A 96 117.422 -0.615 11.731 1.00 0.00 H new ATOM 0 HA THR A 96 116.640 1.462 9.936 1.00 0.00 H new ATOM 0 HB THR A 96 116.061 -1.574 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.287 -1.805 9.195 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.685 -1.337 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.356 -0.232 7.880 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.013 0.393 7.712 1.00 0.00 H new ATOM 1520 N ARG A 97 114.158 -0.411 10.991 1.00 0.00 N ATOM 1521 CA ARG A 97 112.671 -0.475 11.092 1.00 0.00 C ATOM 1522 C ARG A 97 112.121 0.638 11.985 1.00 0.00 C ATOM 1523 O ARG A 97 111.072 1.189 11.711 1.00 0.00 O ATOM 1524 CB ARG A 97 112.371 -1.843 11.717 1.00 0.00 C ATOM 1525 CG ARG A 97 112.702 -2.950 10.714 1.00 0.00 C ATOM 1526 CD ARG A 97 112.416 -4.317 11.342 1.00 0.00 C ATOM 1527 NE ARG A 97 112.751 -5.305 10.280 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.610 -6.583 10.508 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.500 -7.034 11.024 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 113.578 -7.409 10.217 1.00 0.00 N ATOM 0 H ARG A 97 114.649 -1.188 11.433 1.00 0.00 H new ATOM 0 HA ARG A 97 112.204 -0.347 10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.958 -1.975 12.626 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.321 -1.901 12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.108 -2.823 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.750 -2.886 10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.021 -4.476 12.234 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.372 -4.402 11.645 1.00 0.00 H new ATOM 0 HE ARG A 97 113.091 -4.983 9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.743 -6.388 11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.389 -8.032 11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.445 -7.056 9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 97 113.468 -8.407 10.395 1.00 0.00 H new ATOM 1544 N ASN A 98 112.794 0.966 13.058 1.00 0.00 N ATOM 1545 CA ASN A 98 112.258 2.035 13.951 1.00 0.00 C ATOM 1546 C ASN A 98 112.226 3.386 13.232 1.00 0.00 C ATOM 1547 O ASN A 98 111.245 4.099 13.305 1.00 0.00 O ATOM 1548 CB ASN A 98 113.194 2.073 15.160 1.00 0.00 C ATOM 1549 CG ASN A 98 113.004 0.809 16.004 1.00 0.00 C ATOM 1550 OD1 ASN A 98 113.966 0.199 16.424 1.00 0.00 O ATOM 1551 ND2 ASN A 98 111.797 0.391 16.284 1.00 0.00 N ATOM 0 H ASN A 98 113.677 0.548 13.351 1.00 0.00 H new ATOM 0 HA ASN A 98 111.231 1.828 14.251 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.229 2.147 14.828 1.00 0.00 H new ATOM 0 HB3 ASN A 98 112.989 2.958 15.763 1.00 0.00 H new ATOM 0 HD21 ASN A 98 111.666 -0.445 16.854 1.00 0.00 H new ATOM 0 HD22 ASN A 98 110.986 0.901 15.933 1.00 0.00 H new ATOM 1558 N ALA A 99 113.268 3.754 12.535 1.00 0.00 N ATOM 1559 CA ALA A 99 113.251 5.066 11.827 1.00 0.00 C ATOM 1560 C ALA A 99 112.092 5.120 10.829 1.00 0.00 C ATOM 1561 O ALA A 99 111.315 6.056 10.817 1.00 0.00 O ATOM 1562 CB ALA A 99 114.589 5.132 11.093 1.00 0.00 C ATOM 0 H ALA A 99 114.123 3.208 12.426 1.00 0.00 H new ATOM 0 HA ALA A 99 113.115 5.902 12.513 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.657 6.071 10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.403 5.074 11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.663 4.298 10.395 1.00 0.00 H new ATOM 1568 N ILE A 100 111.959 4.123 10.005 1.00 0.00 N ATOM 1569 CA ILE A 100 110.841 4.112 9.015 1.00 0.00 C ATOM 1570 C ILE A 100 109.484 3.947 9.716 1.00 0.00 C ATOM 1571 O ILE A 100 108.511 4.592 9.378 1.00 0.00 O ATOM 1572 CB ILE A 100 111.147 2.908 8.117 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.409 3.207 7.306 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.974 2.638 7.165 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.894 1.930 6.622 1.00 0.00 C ATOM 0 H ILE A 100 112.576 3.311 9.971 1.00 0.00 H new ATOM 0 HA ILE A 100 110.773 5.044 8.454 1.00 0.00 H new ATOM 0 HB ILE A 100 111.299 2.024 8.737 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.201 3.974 6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.188 3.600 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.207 1.780 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.075 2.428 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.805 3.514 6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.793 2.145 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.119 1.176 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.116 1.556 5.956 1.00 0.00 H new ATOM 1587 N GLN A 101 109.412 3.066 10.672 1.00 0.00 N ATOM 1588 CA GLN A 101 108.118 2.829 11.373 1.00 0.00 C ATOM 1589 C GLN A 101 107.649 4.093 12.095 1.00 0.00 C ATOM 1590 O GLN A 101 106.493 4.460 12.035 1.00 0.00 O ATOM 1591 CB GLN A 101 108.420 1.713 12.373 1.00 0.00 C ATOM 1592 CG GLN A 101 107.173 1.416 13.208 1.00 0.00 C ATOM 1593 CD GLN A 101 107.451 0.242 14.149 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.426 -0.466 13.987 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.625 -0.004 15.129 1.00 0.00 N ATOM 0 H GLN A 101 110.193 2.498 11.000 1.00 0.00 H new ATOM 0 HA GLN A 101 107.319 2.560 10.682 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.738 0.814 11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.243 2.008 13.024 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.891 2.297 13.784 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.333 1.180 12.554 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.806 0.589 15.267 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.798 -0.789 15.757 1.00 0.00 H new ATOM 1604 N LEU A 102 108.533 4.752 12.786 1.00 0.00 N ATOM 1605 CA LEU A 102 108.130 5.982 13.524 1.00 0.00 C ATOM 1606 C LEU A 102 107.666 7.083 12.570 1.00 0.00 C ATOM 1607 O LEU A 102 106.687 7.766 12.826 1.00 0.00 O ATOM 1608 CB LEU A 102 109.378 6.431 14.289 1.00 0.00 C ATOM 1609 CG LEU A 102 109.419 5.773 15.675 1.00 0.00 C ATOM 1610 CD1 LEU A 102 109.831 4.302 15.566 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.434 6.513 16.546 1.00 0.00 C ATOM 0 H LEU A 102 109.516 4.494 12.873 1.00 0.00 H new ATOM 0 HA LEU A 102 107.290 5.780 14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.273 6.165 13.726 1.00 0.00 H new ATOM 0 HB3 LEU A 102 109.378 7.516 14.394 1.00 0.00 H new ATOM 0 HG LEU A 102 108.425 5.825 16.119 1.00 0.00 H new ATOM 0 HD11 LEU A 102 109.853 3.856 16.560 1.00 0.00 H new ATOM 0 HD12 LEU A 102 109.112 3.768 14.945 1.00 0.00 H new ATOM 0 HD13 LEU A 102 110.821 4.234 15.115 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.470 6.053 17.533 1.00 0.00 H new ATOM 0 HD22 LEU A 102 111.419 6.458 16.083 1.00 0.00 H new ATOM 0 HD23 LEU A 102 110.137 7.557 16.643 1.00 0.00 H new ATOM 1623 N GLN A 103 108.349 7.262 11.466 1.00 0.00 N ATOM 1624 CA GLN A 103 107.913 8.327 10.519 1.00 0.00 C ATOM 1625 C GLN A 103 106.639 7.867 9.816 1.00 0.00 C ATOM 1626 O GLN A 103 105.694 8.617 9.661 1.00 0.00 O ATOM 1627 CB GLN A 103 109.076 8.529 9.557 1.00 0.00 C ATOM 1628 CG GLN A 103 110.239 9.159 10.319 1.00 0.00 C ATOM 1629 CD GLN A 103 109.823 10.550 10.789 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.369 11.354 10.003 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.951 10.868 12.047 1.00 0.00 N ATOM 0 H GLN A 103 109.172 6.728 11.186 1.00 0.00 H new ATOM 0 HA GLN A 103 107.676 9.272 11.008 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.380 7.575 9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.775 9.171 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.512 8.538 11.172 1.00 0.00 H new ATOM 0 HG3 GLN A 103 111.119 9.224 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.333 10.191 12.708 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.669 11.793 12.370 1.00 0.00 H new ATOM 1640 N PHE A 104 106.589 6.620 9.427 1.00 0.00 N ATOM 1641 CA PHE A 104 105.350 6.100 8.781 1.00 0.00 C ATOM 1642 C PHE A 104 104.189 6.282 9.759 1.00 0.00 C ATOM 1643 O PHE A 104 103.081 6.605 9.382 1.00 0.00 O ATOM 1644 CB PHE A 104 105.600 4.608 8.541 1.00 0.00 C ATOM 1645 CG PHE A 104 106.083 4.378 7.127 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.323 4.879 6.712 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.286 3.653 6.232 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.766 4.651 5.401 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.729 3.426 4.923 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.968 3.926 4.507 1.00 0.00 C ATOM 0 H PHE A 104 107.347 5.944 9.528 1.00 0.00 H new ATOM 0 HA PHE A 104 105.111 6.614 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.340 4.238 9.250 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.683 4.046 8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.937 5.440 7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.329 3.269 6.552 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.723 5.035 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.114 2.865 4.235 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.309 3.753 3.497 1.00 0.00 H new ATOM 1660 N LYS A 105 104.451 6.072 11.026 1.00 0.00 N ATOM 1661 CA LYS A 105 103.387 6.224 12.051 1.00 0.00 C ATOM 1662 C LYS A 105 102.870 7.667 12.058 1.00 0.00 C ATOM 1663 O LYS A 105 101.700 7.907 12.277 1.00 0.00 O ATOM 1664 CB LYS A 105 104.073 5.869 13.376 1.00 0.00 C ATOM 1665 CG LYS A 105 103.040 5.819 14.506 1.00 0.00 C ATOM 1666 CD LYS A 105 103.719 5.359 15.799 1.00 0.00 C ATOM 1667 CE LYS A 105 102.680 5.285 16.927 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.441 4.874 18.143 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.364 5.800 11.390 1.00 0.00 H new ATOM 0 HA LYS A 105 102.522 5.588 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.574 4.905 13.288 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.840 6.608 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.593 6.803 14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.232 5.136 14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.181 4.383 15.652 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.516 6.052 16.070 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.193 6.249 17.076 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.896 4.565 16.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.791 4.804 18.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.888 3.950 17.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.175 5.581 18.349 1.00 0.00 H new ATOM 1682 N GLN A 106 103.719 8.636 11.800 1.00 0.00 N ATOM 1683 CA GLN A 106 103.242 10.055 11.775 1.00 0.00 C ATOM 1684 C GLN A 106 102.572 10.373 10.433 1.00 0.00 C ATOM 1685 O GLN A 106 101.835 11.331 10.313 1.00 0.00 O ATOM 1686 CB GLN A 106 104.505 10.898 11.944 1.00 0.00 C ATOM 1687 CG GLN A 106 105.063 10.691 13.350 1.00 0.00 C ATOM 1688 CD GLN A 106 106.363 11.478 13.506 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.417 12.653 13.203 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.423 10.872 13.963 1.00 0.00 N ATOM 0 H GLN A 106 104.712 8.506 11.608 1.00 0.00 H new ATOM 0 HA GLN A 106 102.505 10.251 12.554 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.249 10.614 11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.278 11.952 11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.336 11.019 14.093 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.244 9.631 13.528 1.00 0.00 H new ATOM 0 HE21 GLN A 106 107.377 9.885 14.217 1.00 0.00 H new ATOM 0 HE22 GLN A 106 108.299 11.385 14.066 1.00 0.00 H new ATOM 1699 N GLY A 107 102.805 9.575 9.426 1.00 0.00 N ATOM 1700 CA GLY A 107 102.159 9.841 8.108 1.00 0.00 C ATOM 1701 C GLY A 107 103.159 10.454 7.113 1.00 0.00 C ATOM 1702 O GLY A 107 102.787 10.851 6.028 1.00 0.00 O ATOM 0 H GLY A 107 103.411 8.755 9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.760 8.912 7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.315 10.518 8.243 1.00 0.00 H new ATOM 1706 N ASN A 108 104.420 10.530 7.458 1.00 0.00 N ATOM 1707 CA ASN A 108 105.413 11.109 6.502 1.00 0.00 C ATOM 1708 C ASN A 108 106.241 9.995 5.859 1.00 0.00 C ATOM 1709 O ASN A 108 107.271 9.593 6.365 1.00 0.00 O ATOM 1710 CB ASN A 108 106.316 12.020 7.331 1.00 0.00 C ATOM 1711 CG ASN A 108 107.283 12.757 6.401 1.00 0.00 C ATOM 1712 OD1 ASN A 108 107.442 12.385 5.255 1.00 0.00 O ATOM 1713 ND2 ASN A 108 107.942 13.789 6.848 1.00 0.00 N ATOM 0 H ASN A 108 104.802 10.220 8.351 1.00 0.00 H new ATOM 0 HA ASN A 108 104.919 11.656 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 108 105.714 12.736 7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 108 106.872 11.433 8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 108 108.591 14.284 6.236 1.00 0.00 H new ATOM 0 HD22 ASN A 108 107.809 14.102 7.810 1.00 0.00 H new ATOM 1720 N PHE A 109 105.791 9.498 4.743 1.00 0.00 N ATOM 1721 CA PHE A 109 106.529 8.410 4.045 1.00 0.00 C ATOM 1722 C PHE A 109 107.912 8.873 3.594 1.00 0.00 C ATOM 1723 O PHE A 109 108.868 8.124 3.648 1.00 0.00 O ATOM 1724 CB PHE A 109 105.679 8.084 2.806 1.00 0.00 C ATOM 1725 CG PHE A 109 104.312 7.500 3.168 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.020 7.032 4.466 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.327 7.428 2.175 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.758 6.505 4.759 1.00 0.00 C ATOM 1729 CE2 PHE A 109 102.067 6.901 2.470 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.782 6.439 3.761 1.00 0.00 C ATOM 0 H PHE A 109 104.935 9.802 4.279 1.00 0.00 H new ATOM 0 HA PHE A 109 106.678 7.554 4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.538 8.991 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.218 7.376 2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.774 7.081 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.542 7.781 1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.538 6.150 5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.311 6.850 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.807 6.031 3.985 1.00 0.00 H new ATOM 1740 N LYS A 110 108.025 10.078 3.108 1.00 0.00 N ATOM 1741 CA LYS A 110 109.351 10.540 2.610 1.00 0.00 C ATOM 1742 C LYS A 110 110.389 10.653 3.738 1.00 0.00 C ATOM 1743 O LYS A 110 111.500 10.178 3.601 1.00 0.00 O ATOM 1744 CB LYS A 110 109.099 11.906 1.967 1.00 0.00 C ATOM 1745 CG LYS A 110 110.428 12.493 1.487 1.00 0.00 C ATOM 1746 CD LYS A 110 110.210 13.921 0.997 1.00 0.00 C ATOM 1747 CE LYS A 110 111.554 14.518 0.571 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.275 15.935 0.156 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.266 10.756 3.034 1.00 0.00 H new ATOM 0 HA LYS A 110 109.766 9.823 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.410 11.804 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.630 12.578 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.155 12.483 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.838 11.881 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.513 13.928 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.764 14.525 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.270 14.487 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.988 13.950 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.671 16.104 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.248 16.095 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.713 16.589 0.836 1.00 0.00 H new ATOM 1762 N GLN A 111 110.064 11.301 4.827 1.00 0.00 N ATOM 1763 CA GLN A 111 111.082 11.455 5.907 1.00 0.00 C ATOM 1764 C GLN A 111 111.456 10.094 6.488 1.00 0.00 C ATOM 1765 O GLN A 111 112.604 9.838 6.790 1.00 0.00 O ATOM 1766 CB GLN A 111 110.445 12.349 6.968 1.00 0.00 C ATOM 1767 CG GLN A 111 111.413 12.508 8.141 1.00 0.00 C ATOM 1768 CD GLN A 111 110.807 13.453 9.179 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.934 14.239 8.868 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.227 13.400 10.413 1.00 0.00 N ATOM 0 H GLN A 111 109.154 11.723 5.013 1.00 0.00 H new ATOM 0 HA GLN A 111 112.004 11.896 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 111 110.207 13.324 6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 111 109.507 11.913 7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.616 11.537 8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 111 112.366 12.901 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 111 111.960 12.740 10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 111 110.823 14.018 11.116 1.00 0.00 H new ATOM 1779 N GLY A 112 110.506 9.216 6.655 1.00 0.00 N ATOM 1780 CA GLY A 112 110.830 7.878 7.222 1.00 0.00 C ATOM 1781 C GLY A 112 111.781 7.140 6.290 1.00 0.00 C ATOM 1782 O GLY A 112 112.781 6.593 6.713 1.00 0.00 O ATOM 0 H GLY A 112 109.524 9.366 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.285 7.990 8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.916 7.299 7.357 1.00 0.00 H new ATOM 1786 N LEU A 113 111.480 7.113 5.026 1.00 0.00 N ATOM 1787 CA LEU A 113 112.372 6.401 4.076 1.00 0.00 C ATOM 1788 C LEU A 113 113.733 7.087 4.028 1.00 0.00 C ATOM 1789 O LEU A 113 114.762 6.440 4.024 1.00 0.00 O ATOM 1790 CB LEU A 113 111.669 6.490 2.724 1.00 0.00 C ATOM 1791 CG LEU A 113 110.419 5.611 2.747 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.554 5.912 1.522 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.835 4.140 2.725 1.00 0.00 C ATOM 0 H LEU A 113 110.658 7.551 4.610 1.00 0.00 H new ATOM 0 HA LEU A 113 112.549 5.366 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.397 7.524 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.341 6.166 1.929 1.00 0.00 H new ATOM 0 HG LEU A 113 109.848 5.818 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.664 5.283 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.258 6.961 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.123 5.706 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.946 3.510 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.407 3.937 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.450 3.923 3.599 1.00 0.00 H new ATOM 1805 N VAL A 114 113.754 8.390 3.985 1.00 0.00 N ATOM 1806 CA VAL A 114 115.062 9.099 3.929 1.00 0.00 C ATOM 1807 C VAL A 114 115.858 8.860 5.217 1.00 0.00 C ATOM 1808 O VAL A 114 117.029 8.533 5.170 1.00 0.00 O ATOM 1809 CB VAL A 114 114.702 10.582 3.739 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.936 11.470 3.940 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.163 10.777 2.323 1.00 0.00 C ATOM 0 H VAL A 114 112.929 8.990 3.986 1.00 0.00 H new ATOM 0 HA VAL A 114 115.699 8.742 3.119 1.00 0.00 H new ATOM 0 HB VAL A 114 113.950 10.864 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.659 12.515 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.325 11.329 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.702 11.198 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.903 11.825 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.925 10.485 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.276 10.160 2.183 1.00 0.00 H new ATOM 1821 N ASP A 115 115.247 9.026 6.358 1.00 0.00 N ATOM 1822 CA ASP A 115 116.002 8.815 7.623 1.00 0.00 C ATOM 1823 C ASP A 115 116.430 7.353 7.749 1.00 0.00 C ATOM 1824 O ASP A 115 117.526 7.058 8.184 1.00 0.00 O ATOM 1825 CB ASP A 115 115.045 9.217 8.746 1.00 0.00 C ATOM 1826 CG ASP A 115 115.113 10.736 8.975 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.948 11.382 8.357 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 114.328 11.229 9.768 1.00 0.00 O ATOM 0 H ASP A 115 114.269 9.295 6.468 1.00 0.00 H new ATOM 0 HA ASP A 115 116.917 9.407 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.027 8.925 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.306 8.690 9.664 1.00 0.00 H new ATOM 1833 N GLY A 116 115.586 6.429 7.376 1.00 0.00 N ATOM 1834 CA GLY A 116 115.969 4.993 7.489 1.00 0.00 C ATOM 1835 C GLY A 116 117.194 4.715 6.618 1.00 0.00 C ATOM 1836 O GLY A 116 118.118 4.042 7.030 1.00 0.00 O ATOM 0 H GLY A 116 114.654 6.605 7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.186 4.746 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.138 4.360 7.177 1.00 0.00 H new ATOM 1840 N ILE A 117 117.218 5.229 5.421 1.00 0.00 N ATOM 1841 CA ILE A 117 118.394 4.991 4.539 1.00 0.00 C ATOM 1842 C ILE A 117 119.640 5.640 5.149 1.00 0.00 C ATOM 1843 O ILE A 117 120.704 5.055 5.169 1.00 0.00 O ATOM 1844 CB ILE A 117 118.011 5.626 3.200 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.877 4.804 2.578 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.222 5.626 2.260 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.239 5.577 1.421 1.00 0.00 C ATOM 0 H ILE A 117 116.477 5.802 5.016 1.00 0.00 H new ATOM 0 HA ILE A 117 118.634 3.935 4.417 1.00 0.00 H new ATOM 0 HB ILE A 117 117.686 6.655 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.264 3.850 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.124 4.579 3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.944 6.079 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.033 6.198 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.552 4.601 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.435 4.983 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.835 6.519 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.992 5.780 0.660 1.00 0.00 H new ATOM 1859 N GLU A 118 119.521 6.840 5.645 1.00 0.00 N ATOM 1860 CA GLU A 118 120.704 7.516 6.251 1.00 0.00 C ATOM 1861 C GLU A 118 121.295 6.642 7.360 1.00 0.00 C ATOM 1862 O GLU A 118 122.472 6.337 7.362 1.00 0.00 O ATOM 1863 CB GLU A 118 120.141 8.816 6.823 1.00 0.00 C ATOM 1864 CG GLU A 118 121.269 9.659 7.419 1.00 0.00 C ATOM 1865 CD GLU A 118 120.700 10.990 7.937 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.487 11.113 8.016 1.00 0.00 O ATOM 1867 OE2 GLU A 118 121.492 11.865 8.247 1.00 0.00 O1- ATOM 0 H GLU A 118 118.657 7.382 5.657 1.00 0.00 H new ATOM 0 HA GLU A 118 121.506 7.695 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.632 9.377 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.398 8.594 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.751 9.117 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.033 9.848 6.665 1.00 0.00 H new ATOM 1874 N LYS A 119 120.487 6.224 8.298 1.00 0.00 N ATOM 1875 CA LYS A 119 121.016 5.357 9.389 1.00 0.00 C ATOM 1876 C LYS A 119 121.528 4.060 8.776 1.00 0.00 C ATOM 1877 O LYS A 119 122.595 3.583 9.107 1.00 0.00 O ATOM 1878 CB LYS A 119 119.834 5.080 10.313 1.00 0.00 C ATOM 1879 CG LYS A 119 119.397 6.374 10.996 1.00 0.00 C ATOM 1880 CD LYS A 119 118.255 6.066 11.966 1.00 0.00 C ATOM 1881 CE LYS A 119 117.797 7.355 12.649 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.695 6.934 13.558 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.493 6.443 8.356 1.00 0.00 H new ATOM 0 HA LYS A 119 121.836 5.823 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 119 119.005 4.661 9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.112 4.339 11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.236 6.819 11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.073 7.101 10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.422 5.612 11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.585 5.344 12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.612 7.819 13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.450 8.087 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.567 7.649 14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.814 6.839 13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.934 6.020 13.993 1.00 0.00 H new ATOM 1896 N ALA A 120 120.789 3.504 7.854 1.00 0.00 N ATOM 1897 CA ALA A 120 121.243 2.255 7.180 1.00 0.00 C ATOM 1898 C ALA A 120 122.647 2.460 6.604 1.00 0.00 C ATOM 1899 O ALA A 120 123.521 1.632 6.754 1.00 0.00 O ATOM 1900 CB ALA A 120 120.238 2.034 6.048 1.00 0.00 C ATOM 0 H ALA A 120 119.888 3.863 7.538 1.00 0.00 H new ATOM 0 HA ALA A 120 121.289 1.405 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.501 1.130 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.237 1.926 6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.259 2.888 5.371 1.00 0.00 H new ATOM 1906 N GLY A 121 122.859 3.562 5.939 1.00 0.00 N ATOM 1907 CA GLY A 121 124.194 3.835 5.340 1.00 0.00 C ATOM 1908 C GLY A 121 125.257 3.937 6.436 1.00 0.00 C ATOM 1909 O GLY A 121 126.343 3.408 6.302 1.00 0.00 O ATOM 0 H GLY A 121 122.160 4.289 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.457 3.040 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.161 4.763 4.769 1.00 0.00 H new ATOM 1913 N MET A 122 124.967 4.608 7.518 1.00 0.00 N ATOM 1914 CA MET A 122 125.983 4.726 8.603 1.00 0.00 C ATOM 1915 C MET A 122 126.222 3.351 9.238 1.00 0.00 C ATOM 1916 O MET A 122 127.347 2.910 9.394 1.00 0.00 O ATOM 1917 CB MET A 122 125.369 5.694 9.616 1.00 0.00 C ATOM 1918 CG MET A 122 126.366 5.966 10.742 1.00 0.00 C ATOM 1919 SD MET A 122 125.624 7.106 11.938 1.00 0.00 S ATOM 1920 CE MET A 122 127.035 7.214 13.065 1.00 0.00 C ATOM 0 H MET A 122 124.078 5.076 7.697 1.00 0.00 H new ATOM 0 HA MET A 122 126.947 5.083 8.240 1.00 0.00 H new ATOM 0 HB2 MET A 122 125.099 6.628 9.123 1.00 0.00 H new ATOM 0 HB3 MET A 122 124.451 5.273 10.025 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.640 5.033 11.234 1.00 0.00 H new ATOM 0 HG3 MET A 122 127.283 6.393 10.336 1.00 0.00 H new ATOM 0 HE1 MET A 122 126.680 7.430 14.073 1.00 0.00 H new ATOM 0 HE2 MET A 122 127.574 6.267 13.065 1.00 0.00 H new ATOM 0 HE3 MET A 122 127.702 8.011 12.737 1.00 0.00 H new ATOM 1930 N ALA A 123 125.170 2.661 9.589 1.00 0.00 N ATOM 1931 CA ALA A 123 125.340 1.313 10.200 1.00 0.00 C ATOM 1932 C ALA A 123 126.030 0.385 9.198 1.00 0.00 C ATOM 1933 O ALA A 123 126.970 -0.310 9.529 1.00 0.00 O ATOM 1934 CB ALA A 123 123.925 0.833 10.522 1.00 0.00 C ATOM 0 H ALA A 123 124.205 2.972 9.479 1.00 0.00 H new ATOM 0 HA ALA A 123 125.959 1.329 11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.971 -0.157 10.976 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.454 1.529 11.216 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.340 0.784 9.604 1.00 0.00 H new ATOM 1940 N LEU A 124 125.592 0.389 7.968 1.00 0.00 N ATOM 1941 CA LEU A 124 126.252 -0.470 6.946 1.00 0.00 C ATOM 1942 C LEU A 124 127.708 -0.026 6.802 1.00 0.00 C ATOM 1943 O LEU A 124 128.599 -0.836 6.660 1.00 0.00 O ATOM 1944 CB LEU A 124 125.479 -0.232 5.645 1.00 0.00 C ATOM 1945 CG LEU A 124 124.084 -0.857 5.752 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.211 -0.354 4.601 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.199 -2.382 5.665 1.00 0.00 C ATOM 0 H LEU A 124 124.809 0.948 7.629 1.00 0.00 H new ATOM 0 HA LEU A 124 126.247 -1.527 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.395 0.837 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.020 -0.667 4.805 1.00 0.00 H new ATOM 0 HG LEU A 124 123.635 -0.576 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.218 -0.798 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.128 0.731 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.664 -0.637 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.207 -2.827 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.649 -2.659 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.824 -2.747 6.480 1.00 0.00 H new ATOM 1959 N ALA A 125 127.957 1.259 6.824 1.00 0.00 N ATOM 1960 CA ALA A 125 129.358 1.751 6.675 1.00 0.00 C ATOM 1961 C ALA A 125 130.264 1.106 7.724 1.00 0.00 C ATOM 1962 O ALA A 125 131.418 0.825 7.467 1.00 0.00 O ATOM 1963 CB ALA A 125 129.283 3.262 6.882 1.00 0.00 C ATOM 0 H ALA A 125 127.251 1.987 6.939 1.00 0.00 H new ATOM 0 HA ALA A 125 129.776 1.499 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.280 3.692 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.625 3.700 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.890 3.474 7.876 1.00 0.00 H new ATOM 1969 N LYS A 126 129.751 0.844 8.899 1.00 0.00 N ATOM 1970 CA LYS A 126 130.592 0.190 9.943 1.00 0.00 C ATOM 1971 C LYS A 126 131.026 -1.187 9.436 1.00 0.00 C ATOM 1972 O LYS A 126 132.167 -1.585 9.564 1.00 0.00 O ATOM 1973 CB LYS A 126 129.664 0.040 11.151 1.00 0.00 C ATOM 1974 CG LYS A 126 129.383 1.408 11.782 1.00 0.00 C ATOM 1975 CD LYS A 126 128.362 1.231 12.912 1.00 0.00 C ATOM 1976 CE LYS A 126 128.129 2.565 13.628 1.00 0.00 C ATOM 1977 NZ LYS A 126 127.601 3.479 12.580 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.793 1.053 9.178 1.00 0.00 H new ATOM 0 HA LYS A 126 131.490 0.757 10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.727 -0.425 10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.120 -0.621 11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.305 1.841 12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 126 128.999 2.098 11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 126 127.421 0.858 12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.720 0.486 13.623 1.00 0.00 H new ATOM 0 HE2 LYS A 126 127.420 2.454 14.448 1.00 0.00 H new ATOM 0 HE3 LYS A 126 129.054 2.949 14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 126.929 4.147 13.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 128.388 4.007 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 127.117 2.923 11.846 1.00 0.00 H new ATOM 1991 N TYR A 127 130.112 -1.904 8.846 1.00 0.00 N ATOM 1992 CA TYR A 127 130.443 -3.252 8.303 1.00 0.00 C ATOM 1993 C TYR A 127 131.244 -3.114 7.010 1.00 0.00 C ATOM 1994 O TYR A 127 132.178 -3.849 6.758 1.00 0.00 O ATOM 1995 CB TYR A 127 129.092 -3.912 8.030 1.00 0.00 C ATOM 1996 CG TYR A 127 128.505 -4.395 9.333 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.799 -3.509 10.153 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.672 -5.729 9.721 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.260 -3.958 11.364 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.133 -6.178 10.932 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.427 -5.293 11.754 1.00 0.00 C ATOM 2002 OH TYR A 127 126.895 -5.734 12.949 1.00 0.00 O ATOM 0 H TYR A 127 129.143 -1.613 8.715 1.00 0.00 H new ATOM 0 HA TYR A 127 131.050 -3.839 8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.416 -3.202 7.554 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.214 -4.747 7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.670 -2.480 9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.217 -6.412 9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.715 -3.275 11.998 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.262 -7.207 11.232 1.00 0.00 H new ATOM 0 HH TYR A 127 127.100 -6.685 13.067 1.00 0.00 H new ATOM 2012 N PHE A 128 130.878 -2.169 6.194 1.00 0.00 N ATOM 2013 CA PHE A 128 131.600 -1.957 4.915 1.00 0.00 C ATOM 2014 C PHE A 128 131.954 -0.471 4.769 1.00 0.00 C ATOM 2015 O PHE A 128 131.179 0.298 4.233 1.00 0.00 O ATOM 2016 CB PHE A 128 130.621 -2.400 3.829 1.00 0.00 C ATOM 2017 CG PHE A 128 130.479 -3.903 3.865 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.457 -4.713 3.275 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.368 -4.487 4.486 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.325 -6.107 3.309 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.235 -5.881 4.518 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.213 -6.690 3.928 1.00 0.00 C ATOM 0 H PHE A 128 130.102 -1.529 6.361 1.00 0.00 H new ATOM 0 HA PHE A 128 132.534 -2.515 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.651 -1.928 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 128 130.978 -2.081 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.313 -4.263 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.613 -3.862 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.081 -6.732 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.378 -6.331 4.998 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.110 -7.765 3.950 1.00 0.00 H new ATOM 2032 N PRO A 129 133.125 -0.107 5.253 1.00 0.00 N ATOM 2033 CA PRO A 129 133.574 1.304 5.169 1.00 0.00 C ATOM 2034 C PRO A 129 133.765 1.718 3.712 1.00 0.00 C ATOM 2035 O PRO A 129 133.984 0.902 2.840 1.00 0.00 O ATOM 2036 CB PRO A 129 134.894 1.311 5.941 1.00 0.00 C ATOM 2037 CG PRO A 129 135.375 -0.100 5.880 1.00 0.00 C ATOM 2038 CD PRO A 129 134.140 -0.956 5.905 1.00 0.00 C ATOM 0 HA PRO A 129 132.855 2.012 5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.613 1.995 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.749 1.636 6.971 1.00 0.00 H new ATOM 0 HG2 PRO A 129 135.955 -0.277 4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.026 -0.328 6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.288 -1.892 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 129 133.852 -1.217 6.923 1.00 0.00 H new ATOM 2046 N TRP A 130 133.649 2.988 3.448 1.00 0.00 N ATOM 2047 CA TRP A 130 133.784 3.482 2.054 1.00 0.00 C ATOM 2048 C TRP A 130 135.242 3.551 1.612 1.00 0.00 C ATOM 2049 O TRP A 130 136.090 4.083 2.303 1.00 0.00 O ATOM 2050 CB TRP A 130 133.209 4.892 2.083 1.00 0.00 C ATOM 2051 CG TRP A 130 133.093 5.381 0.680 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.189 4.934 -0.220 1.00 0.00 C ATOM 2053 CD2 TRP A 130 133.898 6.383 -0.008 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.376 5.607 -1.412 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.419 6.510 -1.333 1.00 0.00 C ATOM 2056 CE3 TRP A 130 134.981 7.191 0.385 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 133.994 7.402 -2.237 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.564 8.089 -0.523 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.071 8.196 -1.831 1.00 0.00 C ATOM 0 H TRP A 130 133.465 3.710 4.145 1.00 0.00 H new ATOM 0 HA TRP A 130 133.275 2.816 1.357 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.232 4.894 2.567 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.853 5.553 2.663 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.443 4.175 -0.037 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.813 5.456 -2.249 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.366 7.120 1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.610 7.479 -3.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.398 8.701 -0.212 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.522 8.891 -2.524 1.00 0.00 H new ATOM 2070 N LYS A 131 135.531 3.057 0.443 1.00 0.00 N ATOM 2071 CA LYS A 131 136.920 3.140 -0.073 1.00 0.00 C ATOM 2072 C LYS A 131 136.922 4.048 -1.309 1.00 0.00 C ATOM 2073 O LYS A 131 135.931 4.167 -2.002 1.00 0.00 O ATOM 2074 CB LYS A 131 137.323 1.712 -0.440 1.00 0.00 C ATOM 2075 CG LYS A 131 137.322 0.830 0.809 1.00 0.00 C ATOM 2076 CD LYS A 131 137.727 -0.592 0.417 1.00 0.00 C ATOM 2077 CE LYS A 131 137.699 -1.496 1.650 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.075 -2.850 1.148 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.863 2.599 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 131 137.618 3.554 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.631 1.309 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.313 1.711 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.015 1.227 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.333 0.827 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.048 -0.977 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.725 -0.588 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.399 -1.149 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.710 -1.506 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.077 -3.525 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.387 -3.158 0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.023 -2.812 0.723 1.00 0.00 H new ATOM 2092 N LYS A 132 138.008 4.714 -1.570 1.00 0.00 N ATOM 2093 CA LYS A 132 138.051 5.649 -2.733 1.00 0.00 C ATOM 2094 C LYS A 132 137.743 4.935 -4.048 1.00 0.00 C ATOM 2095 O LYS A 132 137.182 5.525 -4.952 1.00 0.00 O ATOM 2096 CB LYS A 132 139.463 6.217 -2.741 1.00 0.00 C ATOM 2097 CG LYS A 132 139.641 7.155 -1.550 1.00 0.00 C ATOM 2098 CD LYS A 132 141.070 7.694 -1.539 1.00 0.00 C ATOM 2099 CE LYS A 132 141.260 8.595 -0.320 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.668 9.070 -0.409 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.871 4.654 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 132 137.296 6.429 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.192 5.408 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.645 6.755 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 132 138.930 7.979 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.433 6.624 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.782 6.869 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.267 8.254 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.560 9.430 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.086 8.048 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.875 9.696 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.312 8.254 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 142.802 9.593 -1.298 1.00 0.00 H new ATOM 2114 N ASP A 133 138.096 3.682 -4.176 1.00 0.00 N ATOM 2115 CA ASP A 133 137.793 2.974 -5.454 1.00 0.00 C ATOM 2116 C ASP A 133 136.419 2.279 -5.387 1.00 0.00 C ATOM 2117 O ASP A 133 136.037 1.560 -6.289 1.00 0.00 O ATOM 2118 CB ASP A 133 138.921 1.965 -5.649 1.00 0.00 C ATOM 2119 CG ASP A 133 140.256 2.706 -5.699 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.247 3.879 -6.034 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.266 2.090 -5.400 1.00 0.00 O1- ATOM 0 H ASP A 133 138.572 3.127 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 133 137.738 3.667 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.923 1.242 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.768 1.404 -6.571 1.00 0.00 H new ATOM 2126 N ASP A 134 135.672 2.496 -4.315 1.00 0.00 N ATOM 2127 CA ASP A 134 134.321 1.874 -4.161 1.00 0.00 C ATOM 2128 C ASP A 134 133.521 1.930 -5.465 1.00 0.00 C ATOM 2129 O ASP A 134 133.541 2.903 -6.192 1.00 0.00 O ATOM 2130 CB ASP A 134 133.640 2.755 -3.110 1.00 0.00 C ATOM 2131 CG ASP A 134 132.236 2.222 -2.797 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.798 1.309 -3.479 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.620 2.740 -1.878 1.00 0.00 O ATOM 0 H ASP A 134 135.955 3.088 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 134 134.386 0.821 -3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.239 2.776 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.574 3.781 -3.473 1.00 0.00 H new ATOM 2138 N ILE A 135 132.824 0.876 -5.748 1.00 0.00 N ATOM 2139 CA ILE A 135 132.001 0.811 -6.998 1.00 0.00 C ATOM 2140 C ILE A 135 130.491 0.765 -6.684 1.00 0.00 C ATOM 2141 O ILE A 135 130.062 0.255 -5.666 1.00 0.00 O ATOM 2142 CB ILE A 135 132.454 -0.474 -7.750 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.738 -1.669 -6.798 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.739 -0.151 -8.515 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.531 -1.957 -5.891 1.00 0.00 C ATOM 0 H ILE A 135 132.782 0.040 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 135 132.153 1.702 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 135 131.641 -0.772 -8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 135 132.975 -2.556 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.612 -1.449 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.076 -1.038 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.547 0.652 -9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.511 0.164 -7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.760 -2.798 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.311 -1.077 -5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.664 -2.201 -6.505 1.00 0.00 H new ATOM 2157 N ASP A 136 129.674 1.317 -7.545 1.00 0.00 N ATOM 2158 CA ASP A 136 128.203 1.302 -7.282 1.00 0.00 C ATOM 2159 C ASP A 136 127.516 0.279 -8.196 1.00 0.00 C ATOM 2160 O ASP A 136 127.227 0.542 -9.345 1.00 0.00 O ATOM 2161 CB ASP A 136 127.724 2.715 -7.615 1.00 0.00 C ATOM 2162 CG ASP A 136 126.232 2.857 -7.281 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.610 1.855 -6.961 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 125.735 3.969 -7.355 1.00 0.00 O ATOM 0 H ASP A 136 129.959 1.774 -8.412 1.00 0.00 H new ATOM 0 HA ASP A 136 127.971 1.024 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.303 3.446 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 136 127.890 2.924 -8.672 1.00 0.00 H new ATOM 2169 N GLU A 137 127.287 -0.898 -7.687 1.00 0.00 N ATOM 2170 CA GLU A 137 126.655 -1.981 -8.502 1.00 0.00 C ATOM 2171 C GLU A 137 125.195 -1.688 -8.848 1.00 0.00 C ATOM 2172 O GLU A 137 124.731 -2.027 -9.921 1.00 0.00 O ATOM 2173 CB GLU A 137 126.736 -3.216 -7.607 1.00 0.00 C ATOM 2174 CG GLU A 137 128.205 -3.578 -7.399 1.00 0.00 C ATOM 2175 CD GLU A 137 128.838 -3.934 -8.748 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.096 -4.251 -9.666 1.00 0.00 O ATOM 2177 OE2 GLU A 137 130.053 -3.878 -8.843 1.00 0.00 O1- ATOM 0 H GLU A 137 127.513 -1.163 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 137 127.163 -2.095 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.256 -3.019 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.203 -4.049 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.736 -2.741 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.290 -4.420 -6.712 1.00 0.00 H new ATOM 2184 N LEU A 138 124.454 -1.096 -7.953 1.00 0.00 N ATOM 2185 CA LEU A 138 123.019 -0.831 -8.253 1.00 0.00 C ATOM 2186 C LEU A 138 122.746 0.668 -8.463 1.00 0.00 C ATOM 2187 O LEU A 138 123.374 1.500 -7.843 1.00 0.00 O ATOM 2188 CB LEU A 138 122.267 -1.335 -7.023 1.00 0.00 C ATOM 2189 CG LEU A 138 121.996 -2.834 -7.173 1.00 0.00 C ATOM 2190 CD1 LEU A 138 121.842 -3.467 -5.789 1.00 0.00 C ATOM 2191 CD2 LEU A 138 120.708 -3.046 -7.972 1.00 0.00 C ATOM 0 H LEU A 138 124.776 -0.787 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 138 122.709 -1.325 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 138 122.853 -1.148 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.328 -0.794 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 138 122.831 -3.300 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.649 -4.534 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.758 -3.320 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 138 121.009 -2.999 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.517 -4.114 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 138 119.874 -2.578 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 138 120.814 -2.597 -8.960 1.00 0.00 H new ATOM 2203 N PRO A 139 121.782 0.968 -9.312 1.00 0.00 N ATOM 2204 CA PRO A 139 121.409 2.384 -9.556 1.00 0.00 C ATOM 2205 C PRO A 139 120.716 2.921 -8.306 1.00 0.00 C ATOM 2206 O PRO A 139 120.590 2.215 -7.325 1.00 0.00 O ATOM 2207 CB PRO A 139 120.447 2.305 -10.744 1.00 0.00 C ATOM 2208 CG PRO A 139 119.891 0.917 -10.703 1.00 0.00 C ATOM 2209 CD PRO A 139 120.956 0.041 -10.106 1.00 0.00 C ATOM 0 HA PRO A 139 122.250 3.045 -9.765 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.655 3.050 -10.660 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.965 2.495 -11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.981 0.882 -10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.627 0.577 -11.704 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.525 -0.742 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.544 -0.454 -10.879 1.00 0.00 H new ATOM 2217 N ASN A 140 120.240 4.138 -8.315 1.00 0.00 N ATOM 2218 CA ASN A 140 119.533 4.661 -7.110 1.00 0.00 C ATOM 2219 C ASN A 140 118.064 4.976 -7.450 1.00 0.00 C ATOM 2220 O ASN A 140 117.334 5.503 -6.634 1.00 0.00 O ATOM 2221 CB ASN A 140 120.293 5.935 -6.732 1.00 0.00 C ATOM 2222 CG ASN A 140 120.331 6.890 -7.928 1.00 0.00 C ATOM 2223 OD1 ASN A 140 119.344 7.523 -8.248 1.00 0.00 O ATOM 2224 ND2 ASN A 140 121.437 7.018 -8.610 1.00 0.00 N ATOM 0 H ASN A 140 120.309 4.788 -9.098 1.00 0.00 H new ATOM 0 HA ASN A 140 119.515 3.942 -6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 140 119.810 6.419 -5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 140 121.308 5.686 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 140 121.472 7.649 -9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.266 6.487 -8.342 1.00 0.00 H new ATOM 2231 N THR A 141 117.626 4.676 -8.655 1.00 0.00 N ATOM 2232 CA THR A 141 116.219 4.975 -9.043 1.00 0.00 C ATOM 2233 C THR A 141 115.235 4.175 -8.180 1.00 0.00 C ATOM 2234 O THR A 141 115.617 3.289 -7.441 1.00 0.00 O ATOM 2235 CB THR A 141 116.132 4.545 -10.514 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.437 3.155 -10.613 1.00 0.00 O ATOM 2237 CG2 THR A 141 117.137 5.355 -11.343 1.00 0.00 C ATOM 0 H THR A 141 118.189 4.236 -9.383 1.00 0.00 H new ATOM 0 HA THR A 141 115.961 6.025 -8.901 1.00 0.00 H new ATOM 0 HB THR A 141 115.126 4.726 -10.893 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.381 2.874 -11.550 1.00 0.00 H new ATOM 0 HG21 THR A 141 117.076 5.050 -12.388 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.905 6.417 -11.260 1.00 0.00 H new ATOM 0 HG23 THR A 141 118.145 5.174 -10.971 1.00 0.00 H new ATOM 2245 N ILE A 142 113.973 4.501 -8.262 1.00 0.00 N ATOM 2246 CA ILE A 142 112.951 3.787 -7.440 1.00 0.00 C ATOM 2247 C ILE A 142 112.200 2.753 -8.279 1.00 0.00 C ATOM 2248 O ILE A 142 111.834 2.997 -9.411 1.00 0.00 O ATOM 2249 CB ILE A 142 111.988 4.878 -6.956 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.737 5.836 -6.032 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.815 4.247 -6.192 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.854 7.046 -5.732 1.00 0.00 C ATOM 0 H ILE A 142 113.603 5.235 -8.866 1.00 0.00 H new ATOM 0 HA ILE A 142 113.410 3.245 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 142 111.600 5.420 -7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.006 5.329 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.667 6.158 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.138 5.031 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.278 3.563 -6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.195 3.698 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.387 7.731 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.608 7.557 -6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 142 110.936 6.715 -5.246 1.00 0.00 H new ATOM 2264 N SER A 143 111.940 1.612 -7.711 1.00 0.00 N ATOM 2265 CA SER A 143 111.181 0.567 -8.446 1.00 0.00 C ATOM 2266 C SER A 143 109.692 0.674 -8.084 1.00 0.00 C ATOM 2267 O SER A 143 109.335 0.799 -6.930 1.00 0.00 O ATOM 2268 CB SER A 143 111.767 -0.756 -7.958 1.00 0.00 C ATOM 2269 OG SER A 143 111.000 -1.832 -8.483 1.00 0.00 O ATOM 0 H SER A 143 112.222 1.357 -6.765 1.00 0.00 H new ATOM 0 HA SER A 143 111.258 0.663 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.806 -0.846 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.763 -0.789 -6.869 1.00 0.00 H new ATOM 0 HG SER A 143 110.157 -1.904 -7.989 1.00 0.00 H new ATOM 2275 N LYS A 144 108.822 0.622 -9.061 1.00 0.00 N ATOM 2276 CA LYS A 144 107.359 0.715 -8.763 1.00 0.00 C ATOM 2277 C LYS A 144 106.624 -0.480 -9.369 1.00 0.00 C ATOM 2278 O LYS A 144 106.825 -0.825 -10.517 1.00 0.00 O ATOM 2279 CB LYS A 144 106.871 2.006 -9.425 1.00 0.00 C ATOM 2280 CG LYS A 144 105.375 2.182 -9.133 1.00 0.00 C ATOM 2281 CD LYS A 144 104.869 3.479 -9.768 1.00 0.00 C ATOM 2282 CE LYS A 144 103.366 3.631 -9.506 1.00 0.00 C ATOM 2283 NZ LYS A 144 103.227 3.670 -8.024 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.059 0.520 -10.048 1.00 0.00 H new ATOM 0 HA LYS A 144 107.173 0.716 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.432 2.860 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.043 1.966 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 144 104.817 1.332 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 144 105.206 2.204 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 144 105.408 4.332 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.062 3.469 -10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 144 102.978 4.542 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 144 102.806 2.798 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 102.465 4.328 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 102.998 2.719 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 104.121 3.990 -7.600 1.00 0.00 H new ATOM 2297 N GLY A 145 105.771 -1.112 -8.614 1.00 0.00 N ATOM 2298 CA GLY A 145 105.029 -2.281 -9.163 1.00 0.00 C ATOM 2299 C GLY A 145 103.632 -1.838 -9.603 1.00 0.00 C ATOM 2300 O GLY A 145 103.193 -2.280 -10.651 1.00 0.00 O ATOM 2301 OXT GLY A 145 103.024 -1.063 -8.883 1.00 0.00 O ATOM 0 H GLY A 145 105.556 -0.872 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.571 -2.705 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.953 -3.064 -8.408 1.00 0.00 H new