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 103 GLN : amide:sc= -0.179 X(o=0.019,f=-0.47) USER MOD Set 1.2: A 106 GLN : amide:sc= 0.197 K(o=0.019,f=-0.81) USER MOD Set 2.1: A 56 MET CE :methyl 152:sc= -4.44 (180deg=-6.67!) USER MOD Set 2.2: A 143 SER OG : rot 131:sc= -0.0796 USER MOD Set 3.1: A 39 SER OG : rot -86:sc= 0.94 USER MOD Set 3.2: A 68 TYR OH : rot -31:sc= 0.417 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.717 USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= -0.131 (180deg=-1.08) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-9.78e-05 K(o=-9.8e-05,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HE2:sc= -0.0439 F(o=-1.6,f=-0.044) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -3.34! USER MOD Single : A 48 MET CE :methyl 153:sc= -0.161 (180deg=-1.26!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.333 F(o=-1.9,f=-0.33) USER MOD Single : A 53 ASN : amide:sc= -2.69! C(o=-2.7!,f=-4.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.4!) USER MOD Single : A 59 THR OG1 : rot -90:sc= -1.92! USER MOD Single : A 60 LYS NZ :NH3+ 140:sc= -0.133 (180deg=-1.28) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 63 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 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= -0.0251 K(o=-0.025,f=-2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 98 ASN : amide:sc= -0.0796 K(o=-0.08,f=-2.2!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.9!) USER MOD Single : A 110 LYS NZ :NH3+ -131:sc= -1.64! (180deg=-3.64!) USER MOD Single : A 111 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.38) USER MOD Single : A 119 LYS NZ :NH3+ 151:sc= -0.175 (180deg=-1.52!) USER MOD Single : A 122 MET CE :methyl 158:sc= -0.187 (180deg=-1.05) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.67! C(o=-2.7!,f=-4.1!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.255 13.399 -4.472 1.00 0.00 N ATOM 142 CA THR A 9 105.418 14.331 -5.624 1.00 0.00 C ATOM 143 C THR A 9 106.841 14.242 -6.173 1.00 0.00 C ATOM 144 O THR A 9 107.729 13.717 -5.533 1.00 0.00 O ATOM 145 CB THR A 9 105.152 15.726 -5.056 1.00 0.00 C ATOM 146 OG1 THR A 9 106.108 16.017 -4.048 1.00 0.00 O ATOM 147 CG2 THR A 9 103.745 15.772 -4.463 1.00 0.00 C ATOM 0 HA THR A 9 104.741 14.092 -6.444 1.00 0.00 H new ATOM 0 HB THR A 9 105.233 16.467 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 9 105.939 16.911 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 9 103.553 16.765 -4.058 1.00 0.00 H new ATOM 0 HG22 THR A 9 103.015 15.551 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 9 103.662 15.033 -3.666 1.00 0.00 H new ATOM 155 N ALA A 10 107.071 14.753 -7.354 1.00 0.00 N ATOM 156 CA ALA A 10 108.445 14.692 -7.936 1.00 0.00 C ATOM 157 C ALA A 10 109.443 15.313 -6.954 1.00 0.00 C ATOM 158 O ALA A 10 110.545 14.834 -6.783 1.00 0.00 O ATOM 159 CB ALA A 10 108.357 15.505 -9.223 1.00 0.00 C ATOM 0 H ALA A 10 106.370 15.208 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 10 108.784 13.674 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.329 15.512 -9.716 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.617 15.058 -9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.062 16.528 -8.988 1.00 0.00 H new ATOM 165 N GLU A 11 109.045 16.354 -6.285 1.00 0.00 N ATOM 166 CA GLU A 11 109.940 16.989 -5.281 1.00 0.00 C ATOM 167 C GLU A 11 110.341 15.957 -4.225 1.00 0.00 C ATOM 168 O GLU A 11 111.483 15.878 -3.813 1.00 0.00 O ATOM 169 CB GLU A 11 109.072 18.073 -4.635 1.00 0.00 C ATOM 170 CG GLU A 11 109.904 18.861 -3.620 1.00 0.00 C ATOM 171 CD GLU A 11 109.030 19.936 -2.961 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.974 20.230 -3.499 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 109.434 20.447 -1.928 1.00 0.00 O ATOM 0 H GLU A 11 108.132 16.796 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 11 110.854 17.386 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.682 18.744 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 11 108.213 17.619 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.304 18.188 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 11 110.757 19.325 -4.116 1.00 0.00 H new ATOM 180 N GLU A 12 109.399 15.173 -3.772 1.00 0.00 N ATOM 181 CA GLU A 12 109.707 14.157 -2.728 1.00 0.00 C ATOM 182 C GLU A 12 110.524 12.992 -3.297 1.00 0.00 C ATOM 183 O GLU A 12 111.499 12.564 -2.713 1.00 0.00 O ATOM 184 CB GLU A 12 108.338 13.670 -2.246 1.00 0.00 C ATOM 185 CG GLU A 12 107.607 14.830 -1.560 1.00 0.00 C ATOM 186 CD GLU A 12 106.235 14.366 -1.054 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.913 13.201 -1.232 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.528 15.187 -0.492 1.00 0.00 O1- ATOM 0 H GLU A 12 108.427 15.194 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 12 110.310 14.578 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.752 13.301 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.458 12.838 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.203 15.203 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.484 15.657 -2.260 1.00 0.00 H new ATOM 195 N GLU A 13 110.144 12.480 -4.437 1.00 0.00 N ATOM 196 CA GLU A 13 110.910 11.350 -5.038 1.00 0.00 C ATOM 197 C GLU A 13 112.331 11.805 -5.392 1.00 0.00 C ATOM 198 O GLU A 13 113.286 11.069 -5.234 1.00 0.00 O ATOM 199 CB GLU A 13 110.136 10.982 -6.309 1.00 0.00 C ATOM 200 CG GLU A 13 108.765 10.407 -5.936 1.00 0.00 C ATOM 201 CD GLU A 13 107.939 10.153 -7.208 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.438 10.423 -8.289 1.00 0.00 O ATOM 203 OE2 GLU A 13 106.816 9.690 -7.076 1.00 0.00 O1- ATOM 0 H GLU A 13 109.338 12.795 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 13 111.005 10.505 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.012 11.864 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.700 10.253 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.890 9.477 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.236 11.100 -5.281 1.00 0.00 H new ATOM 210 N LYS A 14 112.481 13.010 -5.876 1.00 0.00 N ATOM 211 CA LYS A 14 113.843 13.504 -6.241 1.00 0.00 C ATOM 212 C LYS A 14 114.744 13.608 -5.003 1.00 0.00 C ATOM 213 O LYS A 14 115.892 13.210 -5.029 1.00 0.00 O ATOM 214 CB LYS A 14 113.610 14.888 -6.859 1.00 0.00 C ATOM 215 CG LYS A 14 113.000 14.732 -8.257 1.00 0.00 C ATOM 216 CD LYS A 14 112.690 16.111 -8.849 1.00 0.00 C ATOM 217 CE LYS A 14 112.033 15.939 -10.222 1.00 0.00 C ATOM 218 NZ LYS A 14 113.060 15.286 -11.072 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.722 13.673 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 14 114.348 12.826 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 14 112.945 15.473 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 14 114.552 15.433 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 14 113.691 14.195 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 14 112.088 14.138 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 14 112.028 16.664 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 14 113.607 16.693 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 14 111.133 15.327 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 14 111.733 16.901 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 113.073 15.737 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 113.994 15.386 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 112.833 14.277 -11.177 1.00 0.00 H new ATOM 232 N ALA A 15 114.243 14.157 -3.927 1.00 0.00 N ATOM 233 CA ALA A 15 115.087 14.303 -2.702 1.00 0.00 C ATOM 234 C ALA A 15 115.483 12.934 -2.138 1.00 0.00 C ATOM 235 O ALA A 15 116.609 12.735 -1.720 1.00 0.00 O ATOM 236 CB ALA A 15 114.216 15.062 -1.703 1.00 0.00 C ATOM 0 H ALA A 15 113.290 14.510 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 15 116.018 14.828 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.769 15.208 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 15 113.945 16.032 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.311 14.489 -1.500 1.00 0.00 H new ATOM 242 N ILE A 16 114.579 11.991 -2.111 1.00 0.00 N ATOM 243 CA ILE A 16 114.934 10.654 -1.563 1.00 0.00 C ATOM 244 C ILE A 16 115.924 9.949 -2.495 1.00 0.00 C ATOM 245 O ILE A 16 116.812 9.241 -2.057 1.00 0.00 O ATOM 246 CB ILE A 16 113.609 9.894 -1.433 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.864 8.577 -0.698 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.008 9.611 -2.811 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.533 7.960 -0.265 1.00 0.00 C ATOM 0 H ILE A 16 113.619 12.089 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 16 115.430 10.716 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 16 112.901 10.505 -0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.402 7.886 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.495 8.752 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.068 9.071 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.823 10.553 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.703 9.007 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.720 7.022 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.012 8.649 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.918 7.769 -1.144 1.00 0.00 H new ATOM 261 N VAL A 17 115.804 10.167 -3.778 1.00 0.00 N ATOM 262 CA VAL A 17 116.762 9.545 -4.732 1.00 0.00 C ATOM 263 C VAL A 17 118.151 10.135 -4.477 1.00 0.00 C ATOM 264 O VAL A 17 119.147 9.440 -4.501 1.00 0.00 O ATOM 265 CB VAL A 17 116.239 9.894 -6.127 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.239 9.421 -7.188 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.898 9.188 -6.344 1.00 0.00 C ATOM 0 H VAL A 17 115.083 10.749 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 17 116.844 8.464 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 17 116.111 10.973 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.863 9.671 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.198 9.913 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.368 8.341 -7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.516 9.430 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.037 8.110 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.185 9.521 -5.589 1.00 0.00 H new ATOM 277 N ASP A 18 118.226 11.415 -4.224 1.00 0.00 N ATOM 278 CA ASP A 18 119.559 12.031 -3.963 1.00 0.00 C ATOM 279 C ASP A 18 120.172 11.388 -2.717 1.00 0.00 C ATOM 280 O ASP A 18 121.362 11.153 -2.650 1.00 0.00 O ATOM 281 CB ASP A 18 119.300 13.529 -3.767 1.00 0.00 C ATOM 282 CG ASP A 18 119.271 14.242 -5.126 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.589 13.607 -6.120 1.00 0.00 O ATOM 284 OD2 ASP A 18 118.929 15.414 -5.150 1.00 0.00 O1- ATOM 0 H ASP A 18 117.432 12.054 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 18 120.264 11.878 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.352 13.677 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.078 13.961 -3.137 1.00 0.00 H new ATOM 289 N ALA A 19 119.367 11.080 -1.741 1.00 0.00 N ATOM 290 CA ALA A 19 119.906 10.429 -0.517 1.00 0.00 C ATOM 291 C ALA A 19 120.532 9.083 -0.892 1.00 0.00 C ATOM 292 O ALA A 19 121.570 8.706 -0.384 1.00 0.00 O ATOM 293 CB ALA A 19 118.696 10.226 0.391 1.00 0.00 C ATOM 0 H ALA A 19 118.361 11.250 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 19 120.678 11.023 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.013 9.749 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.244 11.192 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.966 9.592 -0.112 1.00 0.00 H new ATOM 299 N ILE A 20 119.914 8.358 -1.786 1.00 0.00 N ATOM 300 CA ILE A 20 120.483 7.041 -2.199 1.00 0.00 C ATOM 301 C ILE A 20 121.847 7.262 -2.865 1.00 0.00 C ATOM 302 O ILE A 20 122.798 6.547 -2.616 1.00 0.00 O ATOM 303 CB ILE A 20 119.483 6.464 -3.208 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.162 6.157 -2.499 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.045 5.176 -3.817 1.00 0.00 C ATOM 306 CD1 ILE A 20 118.404 5.146 -1.378 1.00 0.00 C ATOM 0 H ILE A 20 119.043 8.619 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 20 120.632 6.368 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 20 119.312 7.193 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 20 117.736 7.073 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.439 5.759 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.330 4.770 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.984 5.394 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.221 4.446 -3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 20 117.462 4.929 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 20 118.811 4.227 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 20 119.112 5.561 -0.660 1.00 0.00 H new ATOM 318 N ARG A 21 121.938 8.247 -3.714 1.00 0.00 N ATOM 319 CA ARG A 21 123.227 8.518 -4.407 1.00 0.00 C ATOM 320 C ARG A 21 124.324 8.820 -3.384 1.00 0.00 C ATOM 321 O ARG A 21 125.437 8.344 -3.492 1.00 0.00 O ATOM 322 CB ARG A 21 122.953 9.757 -5.259 1.00 0.00 C ATOM 323 CG ARG A 21 122.033 9.400 -6.425 1.00 0.00 C ATOM 324 CD ARG A 21 121.729 10.673 -7.224 1.00 0.00 C ATOM 325 NE ARG A 21 120.878 10.235 -8.367 1.00 0.00 N ATOM 326 CZ ARG A 21 121.428 9.897 -9.507 1.00 0.00 C ATOM 327 NH1 ARG A 21 122.668 9.485 -9.552 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 120.741 9.982 -10.614 1.00 0.00 N ATOM 0 H ARG A 21 121.174 8.877 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 21 123.565 7.668 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.493 10.534 -4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.891 10.163 -5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.507 8.657 -7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.108 8.958 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.210 11.408 -6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.647 11.143 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 21 119.864 10.198 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 21 123.217 9.424 -8.694 1.00 0.00 H new ATOM 0 HH12 ARG A 21 123.087 9.224 -10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 21 119.776 10.312 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 21 121.169 9.719 -11.502 1.00 0.00 H new ATOM 342 N ASP A 22 124.021 9.618 -2.398 1.00 0.00 N ATOM 343 CA ASP A 22 125.046 9.965 -1.374 1.00 0.00 C ATOM 344 C ASP A 22 125.490 8.717 -0.597 1.00 0.00 C ATOM 345 O ASP A 22 126.651 8.562 -0.268 1.00 0.00 O ATOM 346 CB ASP A 22 124.336 10.941 -0.429 1.00 0.00 C ATOM 347 CG ASP A 22 124.418 12.370 -0.979 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.086 12.568 -1.980 1.00 0.00 O ATOM 349 OD2 ASP A 22 123.810 13.245 -0.383 1.00 0.00 O1- ATOM 0 H ASP A 22 123.106 10.046 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 22 125.942 10.390 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.293 10.649 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.793 10.898 0.560 1.00 0.00 H new ATOM 354 N ALA A 23 124.574 7.835 -0.290 1.00 0.00 N ATOM 355 CA ALA A 23 124.944 6.611 0.488 1.00 0.00 C ATOM 356 C ALA A 23 125.917 5.739 -0.308 1.00 0.00 C ATOM 357 O ALA A 23 126.853 5.185 0.239 1.00 0.00 O ATOM 358 CB ALA A 23 123.631 5.883 0.740 1.00 0.00 C ATOM 0 H ALA A 23 123.588 7.907 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 23 125.450 6.857 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.823 4.972 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.960 6.529 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.169 5.626 -0.213 1.00 0.00 H new ATOM 364 N GLU A 24 125.720 5.612 -1.595 1.00 0.00 N ATOM 365 CA GLU A 24 126.658 4.780 -2.414 1.00 0.00 C ATOM 366 C GLU A 24 128.091 5.336 -2.324 1.00 0.00 C ATOM 367 O GLU A 24 129.050 4.664 -2.649 1.00 0.00 O ATOM 368 CB GLU A 24 126.128 4.867 -3.846 1.00 0.00 C ATOM 369 CG GLU A 24 124.723 4.252 -3.910 1.00 0.00 C ATOM 370 CD GLU A 24 124.790 2.751 -3.606 1.00 0.00 C ATOM 371 OE1 GLU A 24 125.890 2.223 -3.543 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.739 2.154 -3.443 1.00 0.00 O1- ATOM 0 H GLU A 24 124.956 6.045 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 24 126.703 3.749 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.096 5.907 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.798 4.341 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.068 4.747 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.292 4.412 -4.899 1.00 0.00 H new ATOM 379 N LYS A 25 128.246 6.552 -1.855 1.00 0.00 N ATOM 380 CA LYS A 25 129.611 7.124 -1.707 1.00 0.00 C ATOM 381 C LYS A 25 130.096 6.925 -0.252 1.00 0.00 C ATOM 382 O LYS A 25 131.184 7.331 0.103 1.00 0.00 O ATOM 383 CB LYS A 25 129.475 8.610 -2.033 1.00 0.00 C ATOM 384 CG LYS A 25 128.782 8.788 -3.388 1.00 0.00 C ATOM 385 CD LYS A 25 129.660 8.204 -4.491 1.00 0.00 C ATOM 386 CE LYS A 25 128.966 8.381 -5.843 1.00 0.00 C ATOM 387 NZ LYS A 25 129.902 7.787 -6.836 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.484 7.168 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 25 130.336 6.643 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.901 9.111 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.459 9.078 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 25 127.812 8.291 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.597 9.845 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 25 130.630 8.701 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.846 7.147 -4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 25 128.000 7.876 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 25 128.780 9.434 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 129.495 7.870 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 130.811 8.292 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 130.055 6.783 -6.612 1.00 0.00 H new ATOM 401 N ASN A 26 129.298 6.299 0.597 1.00 0.00 N ATOM 402 CA ASN A 26 129.715 6.060 2.007 1.00 0.00 C ATOM 403 C ASN A 26 129.872 4.541 2.256 1.00 0.00 C ATOM 404 O ASN A 26 130.442 4.117 3.242 1.00 0.00 O ATOM 405 CB ASN A 26 128.568 6.622 2.838 1.00 0.00 C ATOM 406 CG ASN A 26 128.510 8.138 2.653 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.485 8.752 2.265 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.400 8.772 2.904 1.00 0.00 N ATOM 0 H ASN A 26 128.371 5.945 0.360 1.00 0.00 H new ATOM 0 HA ASN A 26 130.670 6.524 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.625 6.170 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.711 6.377 3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.349 9.783 2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.581 8.258 3.230 1.00 0.00 H new ATOM 415 N THR A 27 129.370 3.713 1.363 1.00 0.00 N ATOM 416 CA THR A 27 129.516 2.236 1.541 1.00 0.00 C ATOM 417 C THR A 27 129.467 1.548 0.169 1.00 0.00 C ATOM 418 O THR A 27 128.942 2.086 -0.784 1.00 0.00 O ATOM 419 CB THR A 27 128.327 1.786 2.402 1.00 0.00 C ATOM 420 OG1 THR A 27 128.346 0.364 2.541 1.00 0.00 O ATOM 421 CG2 THR A 27 127.016 2.208 1.736 1.00 0.00 C ATOM 0 H THR A 27 128.868 4.000 0.523 1.00 0.00 H new ATOM 0 HA THR A 27 130.463 1.977 2.014 1.00 0.00 H new ATOM 0 HB THR A 27 128.403 2.252 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.587 0.079 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.175 1.886 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.994 3.293 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.943 1.746 0.751 1.00 0.00 H new ATOM 429 N SER A 28 129.982 0.351 0.073 1.00 0.00 N ATOM 430 CA SER A 28 129.923 -0.381 -1.221 1.00 0.00 C ATOM 431 C SER A 28 128.611 -1.180 -1.307 1.00 0.00 C ATOM 432 O SER A 28 128.268 -1.711 -2.345 1.00 0.00 O ATOM 433 CB SER A 28 131.128 -1.321 -1.213 1.00 0.00 C ATOM 434 OG SER A 28 132.279 -0.611 -0.777 1.00 0.00 O ATOM 0 H SER A 28 130.440 -0.149 0.835 1.00 0.00 H new ATOM 0 HA SER A 28 129.949 0.292 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 28 130.938 -2.168 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.294 -1.726 -2.211 1.00 0.00 H new ATOM 0 HG SER A 28 133.052 -1.213 -0.770 1.00 0.00 H new ATOM 440 N GLY A 29 127.861 -1.266 -0.225 1.00 0.00 N ATOM 441 CA GLY A 29 126.582 -2.018 -0.260 1.00 0.00 C ATOM 442 C GLY A 29 125.567 -1.241 -1.094 1.00 0.00 C ATOM 443 O GLY A 29 125.816 -0.126 -1.509 1.00 0.00 O ATOM 0 H GLY A 29 128.090 -0.844 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.740 -3.008 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.204 -2.164 0.752 1.00 0.00 H new ATOM 447 N GLU A 30 124.436 -1.822 -1.359 1.00 0.00 N ATOM 448 CA GLU A 30 123.418 -1.104 -2.184 1.00 0.00 C ATOM 449 C GLU A 30 122.030 -1.175 -1.541 1.00 0.00 C ATOM 450 O GLU A 30 121.635 -2.184 -0.993 1.00 0.00 O ATOM 451 CB GLU A 30 123.420 -1.804 -3.546 1.00 0.00 C ATOM 452 CG GLU A 30 124.708 -1.465 -4.307 1.00 0.00 C ATOM 453 CD GLU A 30 125.819 -2.456 -3.942 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.595 -3.281 -3.070 1.00 0.00 O ATOM 455 OE2 GLU A 30 126.878 -2.374 -4.545 1.00 0.00 O1- ATOM 0 H GLU A 30 124.168 -2.755 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 30 123.659 -0.045 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.341 -2.883 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.552 -1.491 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.523 -1.496 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.024 -0.450 -4.067 1.00 0.00 H new ATOM 462 N ILE A 31 121.298 -0.091 -1.600 1.00 0.00 N ATOM 463 CA ILE A 31 119.935 -0.047 -0.994 1.00 0.00 C ATOM 464 C ILE A 31 118.895 0.382 -2.039 1.00 0.00 C ATOM 465 O ILE A 31 119.113 1.301 -2.802 1.00 0.00 O ATOM 466 CB ILE A 31 120.032 1.003 0.115 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.044 0.536 1.170 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.657 1.169 0.765 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.366 1.688 2.123 1.00 0.00 C ATOM 0 H ILE A 31 121.592 0.776 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 31 119.623 -1.021 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 31 120.359 1.955 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.638 -0.308 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.956 0.188 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.717 1.916 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 31 117.936 1.493 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.337 0.217 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.085 1.352 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.790 2.519 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.453 2.015 2.620 1.00 0.00 H new ATOM 481 N ARG A 32 117.762 -0.269 -2.069 1.00 0.00 N ATOM 482 CA ARG A 32 116.700 0.114 -3.050 1.00 0.00 C ATOM 483 C ARG A 32 115.323 0.069 -2.381 1.00 0.00 C ATOM 484 O ARG A 32 115.107 -0.634 -1.413 1.00 0.00 O ATOM 485 CB ARG A 32 116.761 -0.921 -4.174 1.00 0.00 C ATOM 486 CG ARG A 32 118.051 -0.775 -4.978 1.00 0.00 C ATOM 487 CD ARG A 32 118.082 -1.870 -6.047 1.00 0.00 C ATOM 488 NE ARG A 32 119.327 -1.633 -6.818 1.00 0.00 N ATOM 489 CZ ARG A 32 119.311 -0.814 -7.831 1.00 0.00 C ATOM 490 NH1 ARG A 32 119.018 -1.266 -9.022 1.00 0.00 N ATOM 491 NH2 ARG A 32 119.586 0.450 -7.650 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.525 -1.050 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 32 116.857 1.125 -3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 32 116.701 -1.925 -3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 32 115.901 -0.800 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 32 118.099 0.210 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 32 118.918 -0.860 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 32 118.083 -2.861 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 32 117.204 -1.815 -6.691 1.00 0.00 H new ATOM 0 HE ARG A 32 120.191 -2.109 -6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 32 118.804 -2.254 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 32 119.004 -0.630 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 32 119.813 0.794 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 32 119.574 1.093 -8.442 1.00 0.00 H new ATOM 505 N VAL A 33 114.393 0.826 -2.899 1.00 0.00 N ATOM 506 CA VAL A 33 113.019 0.852 -2.318 1.00 0.00 C ATOM 507 C VAL A 33 111.989 0.548 -3.413 1.00 0.00 C ATOM 508 O VAL A 33 112.052 1.072 -4.509 1.00 0.00 O ATOM 509 CB VAL A 33 112.845 2.276 -1.764 1.00 0.00 C ATOM 510 CG1 VAL A 33 111.382 2.527 -1.361 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.735 2.437 -0.529 1.00 0.00 C ATOM 0 H VAL A 33 114.528 1.433 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 33 112.876 0.105 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 33 113.125 2.993 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 33 111.281 3.540 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 33 110.739 2.407 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 33 111.088 1.812 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.620 3.444 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.443 1.708 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.776 2.274 -0.807 1.00 0.00 H new ATOM 521 N HIS A 34 111.030 -0.276 -3.106 1.00 0.00 N ATOM 522 CA HIS A 34 109.969 -0.602 -4.095 1.00 0.00 C ATOM 523 C HIS A 34 108.603 -0.217 -3.517 1.00 0.00 C ATOM 524 O HIS A 34 108.188 -0.708 -2.485 1.00 0.00 O ATOM 525 CB HIS A 34 110.065 -2.109 -4.314 1.00 0.00 C ATOM 526 CG HIS A 34 108.994 -2.541 -5.273 1.00 0.00 C ATOM 527 ND1 HIS A 34 107.765 -3.119 -5.076 1.00 0.00 N flip ATOM 528 CD2 HIS A 34 109.132 -2.399 -6.644 1.00 0.00 C flip ATOM 529 CE1 HIS A 34 107.149 -3.336 -6.305 1.00 0.00 C flip ATOM 530 NE2 HIS A 34 108.017 -2.884 -7.216 1.00 0.00 N flip ATOM 0 H HIS A 34 110.935 -0.742 -2.204 1.00 0.00 H new ATOM 0 HA HIS A 34 110.089 -0.062 -5.034 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.048 -2.369 -4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.953 -2.634 -3.365 1.00 0.00 H new ATOM 0 HD1 HIS A 34 107.364 -3.354 -4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 34 109.981 -1.975 -7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 34 106.179 -3.775 -6.484 1.00 0.00 H new ATOM 538 N LEU A 35 107.917 0.682 -4.172 1.00 0.00 N ATOM 539 CA LEU A 35 106.587 1.141 -3.670 1.00 0.00 C ATOM 540 C LEU A 35 105.446 0.569 -4.521 1.00 0.00 C ATOM 541 O LEU A 35 105.441 0.665 -5.733 1.00 0.00 O ATOM 542 CB LEU A 35 106.631 2.665 -3.799 1.00 0.00 C ATOM 543 CG LEU A 35 105.414 3.275 -3.103 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.438 2.891 -1.622 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.473 4.799 -3.236 1.00 0.00 C ATOM 0 H LEU A 35 108.223 1.122 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 35 106.403 0.810 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.548 3.051 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.642 2.951 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 35 104.498 2.903 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.572 3.323 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.408 1.806 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.351 3.270 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.608 5.241 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.386 5.170 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.467 5.073 -4.291 1.00 0.00 H new ATOM 557 N GLU A 36 104.471 -0.008 -3.871 1.00 0.00 N ATOM 558 CA GLU A 36 103.294 -0.582 -4.591 1.00 0.00 C ATOM 559 C GLU A 36 102.050 -0.436 -3.703 1.00 0.00 C ATOM 560 O GLU A 36 102.147 -0.084 -2.544 1.00 0.00 O ATOM 561 CB GLU A 36 103.643 -2.047 -4.857 1.00 0.00 C ATOM 562 CG GLU A 36 102.530 -2.711 -5.671 1.00 0.00 C ATOM 563 CD GLU A 36 102.899 -4.171 -5.961 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.815 -4.673 -5.327 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 102.255 -4.765 -6.810 1.00 0.00 O ATOM 0 H GLU A 36 104.439 -0.108 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 36 103.076 -0.074 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.588 -2.112 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.778 -2.574 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.589 -2.666 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.380 -2.172 -6.606 1.00 0.00 H new ATOM 572 N LYS A 37 100.878 -0.650 -4.246 1.00 0.00 N ATOM 573 CA LYS A 37 99.639 -0.457 -3.430 1.00 0.00 C ATOM 574 C LYS A 37 99.334 -1.658 -2.528 1.00 0.00 C ATOM 575 O LYS A 37 99.585 -1.627 -1.338 1.00 0.00 O ATOM 576 CB LYS A 37 98.518 -0.222 -4.445 1.00 0.00 C ATOM 577 CG LYS A 37 98.767 1.102 -5.168 1.00 0.00 C ATOM 578 CD LYS A 37 97.682 1.328 -6.222 1.00 0.00 C ATOM 579 CE LYS A 37 97.955 2.645 -6.947 1.00 0.00 C ATOM 580 NZ LYS A 37 96.864 2.765 -7.954 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.725 -0.947 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 37 99.753 0.382 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.483 -1.042 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.552 -0.199 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.768 1.924 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.749 1.090 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.671 0.502 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.700 1.355 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.946 3.486 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.934 2.636 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.984 3.647 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.901 1.954 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.944 2.778 -7.469 1.00 0.00 H new ATOM 594 N THR A 38 98.810 -2.717 -3.087 1.00 0.00 N ATOM 595 CA THR A 38 98.510 -3.926 -2.265 1.00 0.00 C ATOM 596 C THR A 38 98.853 -5.190 -3.062 1.00 0.00 C ATOM 597 O THR A 38 98.956 -5.170 -4.271 1.00 0.00 O ATOM 598 CB THR A 38 97.007 -3.863 -1.958 1.00 0.00 C ATOM 599 OG1 THR A 38 96.748 -2.751 -1.114 1.00 0.00 O ATOM 600 CG2 THR A 38 96.563 -5.153 -1.258 1.00 0.00 C ATOM 0 H THR A 38 98.577 -2.797 -4.077 1.00 0.00 H new ATOM 0 HA THR A 38 99.095 -3.954 -1.346 1.00 0.00 H new ATOM 0 HB THR A 38 96.452 -3.754 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.789 -2.706 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.496 -5.102 -1.043 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.762 -6.006 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 38 97.116 -5.270 -0.326 1.00 0.00 H new ATOM 608 N SER A 39 99.045 -6.287 -2.385 1.00 0.00 N ATOM 609 CA SER A 39 99.392 -7.545 -3.092 1.00 0.00 C ATOM 610 C SER A 39 98.262 -8.570 -2.944 1.00 0.00 C ATOM 611 O SER A 39 97.292 -8.345 -2.250 1.00 0.00 O ATOM 612 CB SER A 39 100.667 -8.031 -2.404 1.00 0.00 C ATOM 613 OG SER A 39 101.651 -7.006 -2.473 1.00 0.00 O ATOM 0 H SER A 39 98.976 -6.364 -1.370 1.00 0.00 H new ATOM 0 HA SER A 39 99.535 -7.399 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.460 -8.285 -1.364 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.033 -8.937 -2.887 1.00 0.00 H new ATOM 0 HG SER A 39 102.134 -7.073 -3.323 1.00 0.00 H new ATOM 619 N GLU A 40 98.384 -9.697 -3.586 1.00 0.00 N ATOM 620 CA GLU A 40 97.323 -10.743 -3.475 1.00 0.00 C ATOM 621 C GLU A 40 97.811 -11.927 -2.618 1.00 0.00 C ATOM 622 O GLU A 40 97.043 -12.796 -2.254 1.00 0.00 O ATOM 623 CB GLU A 40 97.074 -11.189 -4.918 1.00 0.00 C ATOM 624 CG GLU A 40 96.482 -10.022 -5.710 1.00 0.00 C ATOM 625 CD GLU A 40 95.078 -9.710 -5.188 1.00 0.00 C ATOM 626 OE1 GLU A 40 94.481 -10.587 -4.588 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 94.622 -8.598 -5.404 1.00 0.00 O ATOM 0 H GLU A 40 99.173 -9.942 -4.184 1.00 0.00 H new ATOM 0 HA GLU A 40 96.420 -10.367 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.007 -11.519 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.392 -12.039 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 40 97.120 -9.143 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 40 96.440 -10.272 -6.770 1.00 0.00 H new ATOM 634 N ILE A 41 99.082 -11.974 -2.307 1.00 0.00 N ATOM 635 CA ILE A 41 99.627 -13.100 -1.494 1.00 0.00 C ATOM 636 C ILE A 41 100.344 -12.553 -0.237 1.00 0.00 C ATOM 637 O ILE A 41 99.740 -11.849 0.551 1.00 0.00 O ATOM 638 CB ILE A 41 100.578 -13.839 -2.443 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.594 -12.853 -3.052 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.774 -14.494 -3.566 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.645 -13.626 -3.844 1.00 0.00 C ATOM 0 H ILE A 41 99.770 -11.274 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 41 98.856 -13.772 -1.117 1.00 0.00 H new ATOM 0 HB ILE A 41 101.115 -14.603 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.083 -12.144 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.072 -12.274 -2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.451 -15.019 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 41 99.064 -15.203 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.232 -13.728 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.363 -12.928 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.164 -14.318 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.159 -14.186 -4.644 1.00 0.00 H new ATOM 653 N ASP A 42 101.616 -12.840 -0.027 1.00 0.00 N ATOM 654 CA ASP A 42 102.296 -12.297 1.173 1.00 0.00 C ATOM 655 C ASP A 42 103.351 -11.281 0.744 1.00 0.00 C ATOM 656 O ASP A 42 104.032 -11.452 -0.247 1.00 0.00 O ATOM 657 CB ASP A 42 102.922 -13.506 1.862 1.00 0.00 C ATOM 658 CG ASP A 42 101.823 -14.358 2.512 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.710 -13.870 2.637 1.00 0.00 O ATOM 660 OD2 ASP A 42 102.113 -15.487 2.874 1.00 0.00 O1- ATOM 0 H ASP A 42 102.194 -13.420 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 42 101.617 -11.776 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.477 -14.102 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.635 -13.177 2.618 1.00 0.00 H new ATOM 665 N VAL A 43 103.477 -10.216 1.480 1.00 0.00 N ATOM 666 CA VAL A 43 104.468 -9.170 1.123 1.00 0.00 C ATOM 667 C VAL A 43 105.889 -9.727 1.207 1.00 0.00 C ATOM 668 O VAL A 43 106.707 -9.477 0.351 1.00 0.00 O ATOM 669 CB VAL A 43 104.252 -8.049 2.131 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.291 -6.954 1.902 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.848 -7.474 1.942 1.00 0.00 C ATOM 0 H VAL A 43 102.931 -10.024 2.320 1.00 0.00 H new ATOM 0 HA VAL A 43 104.340 -8.814 0.101 1.00 0.00 H new ATOM 0 HB VAL A 43 104.356 -8.436 3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.138 -6.151 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.291 -7.369 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.187 -6.559 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.684 -6.670 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.749 -7.082 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.109 -8.259 2.101 1.00 0.00 H new ATOM 681 N PHE A 44 106.189 -10.491 2.223 1.00 0.00 N ATOM 682 CA PHE A 44 107.558 -11.066 2.330 1.00 0.00 C ATOM 683 C PHE A 44 107.858 -11.918 1.089 1.00 0.00 C ATOM 684 O PHE A 44 108.898 -11.780 0.479 1.00 0.00 O ATOM 685 CB PHE A 44 107.532 -11.937 3.584 1.00 0.00 C ATOM 686 CG PHE A 44 108.881 -12.583 3.764 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.956 -11.838 4.262 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.061 -13.928 3.423 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.211 -12.439 4.419 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.314 -14.530 3.580 1.00 0.00 C ATOM 691 CZ PHE A 44 111.389 -13.786 4.077 1.00 0.00 C ATOM 0 H PHE A 44 105.549 -10.740 2.978 1.00 0.00 H new ATOM 0 HA PHE A 44 108.329 -10.297 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.285 -11.332 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.759 -12.700 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.818 -10.800 4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.231 -14.502 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 44 112.041 -11.865 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.451 -15.569 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.357 -14.250 4.197 1.00 0.00 H new ATOM 701 N ASP A 45 106.946 -12.762 0.677 1.00 0.00 N ATOM 702 CA ASP A 45 107.192 -13.560 -0.562 1.00 0.00 C ATOM 703 C ASP A 45 107.167 -12.610 -1.761 1.00 0.00 C ATOM 704 O ASP A 45 107.948 -12.736 -2.682 1.00 0.00 O ATOM 705 CB ASP A 45 106.042 -14.567 -0.637 1.00 0.00 C ATOM 706 CG ASP A 45 106.364 -15.806 0.208 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.476 -15.897 0.705 1.00 0.00 O ATOM 708 OD2 ASP A 45 105.489 -16.646 0.347 1.00 0.00 O1- ATOM 0 H ASP A 45 106.052 -12.932 1.138 1.00 0.00 H new ATOM 0 HA ASP A 45 108.154 -14.073 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.121 -14.105 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.872 -14.859 -1.673 1.00 0.00 H new ATOM 713 N ARG A 46 106.286 -11.650 -1.750 1.00 0.00 N ATOM 714 CA ARG A 46 106.226 -10.681 -2.882 1.00 0.00 C ATOM 715 C ARG A 46 107.536 -9.894 -2.971 1.00 0.00 C ATOM 716 O ARG A 46 108.019 -9.600 -4.047 1.00 0.00 O ATOM 717 CB ARG A 46 105.065 -9.746 -2.549 1.00 0.00 C ATOM 718 CG ARG A 46 103.767 -10.282 -3.166 1.00 0.00 C ATOM 719 CD ARG A 46 103.818 -10.124 -4.688 1.00 0.00 C ATOM 720 NE ARG A 46 102.445 -10.465 -5.167 1.00 0.00 N ATOM 721 CZ ARG A 46 102.278 -11.049 -6.327 1.00 0.00 C ATOM 722 NH1 ARG A 46 103.159 -10.888 -7.276 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 101.222 -11.786 -6.542 1.00 0.00 N ATOM 0 H ARG A 46 105.605 -11.493 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 46 106.084 -11.178 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.955 -9.660 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.272 -8.746 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 46 103.634 -11.332 -2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 46 102.911 -9.742 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 46 104.091 -9.107 -4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 46 104.564 -10.787 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 46 101.635 -10.242 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 46 103.981 -10.306 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 46 103.026 -11.344 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 46 100.526 -11.907 -5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 46 101.093 -12.241 -7.446 1.00 0.00 H new ATOM 737 N ALA A 47 108.131 -9.562 -1.855 1.00 0.00 N ATOM 738 CA ALA A 47 109.419 -8.813 -1.902 1.00 0.00 C ATOM 739 C ALA A 47 110.535 -9.728 -2.406 1.00 0.00 C ATOM 740 O ALA A 47 111.381 -9.319 -3.172 1.00 0.00 O ATOM 741 CB ALA A 47 109.694 -8.345 -0.470 1.00 0.00 C ATOM 0 H ALA A 47 107.783 -9.776 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 47 109.370 -7.963 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.630 -7.787 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.880 -7.703 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.768 -9.211 0.188 1.00 0.00 H new ATOM 747 N MET A 48 110.543 -10.965 -1.991 1.00 0.00 N ATOM 748 CA MET A 48 111.607 -11.892 -2.472 1.00 0.00 C ATOM 749 C MET A 48 111.456 -12.125 -3.977 1.00 0.00 C ATOM 750 O MET A 48 112.420 -12.090 -4.716 1.00 0.00 O ATOM 751 CB MET A 48 111.399 -13.194 -1.704 1.00 0.00 C ATOM 752 CG MET A 48 112.500 -14.179 -2.095 1.00 0.00 C ATOM 753 SD MET A 48 112.260 -15.738 -1.212 1.00 0.00 S ATOM 754 CE MET A 48 110.746 -16.239 -2.068 1.00 0.00 C ATOM 0 H MET A 48 109.866 -11.372 -1.346 1.00 0.00 H new ATOM 0 HA MET A 48 112.606 -11.488 -2.306 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.424 -13.007 -0.630 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.419 -13.614 -1.932 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.482 -14.352 -3.171 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.478 -13.761 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.666 -17.326 -2.060 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.882 -15.808 -1.562 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.777 -15.885 -3.099 1.00 0.00 H new ATOM 764 N ASP A 49 110.257 -12.344 -4.447 1.00 0.00 N ATOM 765 CA ASP A 49 110.066 -12.553 -5.911 1.00 0.00 C ATOM 766 C ASP A 49 110.467 -11.276 -6.665 1.00 0.00 C ATOM 767 O ASP A 49 111.153 -11.326 -7.661 1.00 0.00 O ATOM 768 CB ASP A 49 108.579 -12.876 -6.081 1.00 0.00 C ATOM 769 CG ASP A 49 108.307 -13.350 -7.511 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.233 -13.833 -8.142 1.00 0.00 O ATOM 771 OD2 ASP A 49 107.176 -13.221 -7.950 1.00 0.00 O1- ATOM 0 H ASP A 49 109.407 -12.387 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 49 110.682 -13.358 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.282 -13.648 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.979 -11.993 -5.861 1.00 0.00 H new ATOM 776 N VAL A 50 110.066 -10.132 -6.170 1.00 0.00 N ATOM 777 CA VAL A 50 110.447 -8.840 -6.828 1.00 0.00 C ATOM 778 C VAL A 50 111.958 -8.626 -6.708 1.00 0.00 C ATOM 779 O VAL A 50 112.609 -8.214 -7.647 1.00 0.00 O ATOM 780 CB VAL A 50 109.689 -7.744 -6.071 1.00 0.00 C ATOM 781 CG1 VAL A 50 110.089 -6.367 -6.610 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.182 -7.942 -6.250 1.00 0.00 C ATOM 0 H VAL A 50 109.489 -10.035 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 50 110.197 -8.833 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 50 109.941 -7.804 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.547 -5.592 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.161 -6.221 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.844 -6.306 -7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.646 -7.161 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.931 -7.889 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.894 -8.917 -5.858 1.00 0.00 H new ATOM 792 N PHE A 51 112.522 -8.898 -5.570 1.00 0.00 N ATOM 793 CA PHE A 51 113.990 -8.706 -5.407 1.00 0.00 C ATOM 794 C PHE A 51 114.742 -9.568 -6.432 1.00 0.00 C ATOM 795 O PHE A 51 115.641 -9.097 -7.101 1.00 0.00 O ATOM 796 CB PHE A 51 114.281 -9.169 -3.976 1.00 0.00 C ATOM 797 CG PHE A 51 115.737 -8.952 -3.655 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.271 -7.658 -3.664 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.556 -10.044 -3.351 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.625 -7.457 -3.368 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.909 -9.843 -3.056 1.00 0.00 C ATOM 802 CZ PHE A 51 118.443 -8.550 -3.066 1.00 0.00 C ATOM 0 H PHE A 51 112.033 -9.245 -4.744 1.00 0.00 H new ATOM 0 HA PHE A 51 114.308 -7.676 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.658 -8.618 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.028 -10.224 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 51 115.639 -6.815 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 51 116.144 -11.042 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.037 -6.459 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 51 118.541 -10.686 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.488 -8.396 -2.840 1.00 0.00 H new ATOM 812 N HIS A 52 114.371 -10.810 -6.587 1.00 0.00 N ATOM 813 CA HIS A 52 115.056 -11.672 -7.601 1.00 0.00 C ATOM 814 C HIS A 52 114.575 -11.295 -9.010 1.00 0.00 C ATOM 815 O HIS A 52 115.335 -11.306 -9.960 1.00 0.00 O ATOM 816 CB HIS A 52 114.657 -13.107 -7.249 1.00 0.00 C ATOM 817 CG HIS A 52 115.275 -13.497 -5.932 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.297 -12.872 -4.708 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 115.984 -14.679 -5.767 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.006 -13.651 -3.799 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.396 -14.727 -4.486 1.00 0.00 N flip ATOM 0 H HIS A 52 113.627 -11.266 -6.059 1.00 0.00 H new ATOM 0 HA HIS A 52 116.139 -11.550 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.572 -13.189 -7.191 1.00 0.00 H new ATOM 0 HB3 HIS A 52 114.987 -13.789 -8.033 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.171 -15.424 -6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.200 -13.432 -2.759 1.00 0.00 H new ATOM 0 HE2 HIS A 52 116.940 -15.493 -4.089 1.00 0.00 H new ATOM 829 N ASN A 53 113.325 -10.945 -9.148 1.00 0.00 N ATOM 830 CA ASN A 53 112.792 -10.551 -10.488 1.00 0.00 C ATOM 831 C ASN A 53 113.538 -9.320 -11.000 1.00 0.00 C ATOM 832 O ASN A 53 113.863 -9.218 -12.166 1.00 0.00 O ATOM 833 CB ASN A 53 111.317 -10.229 -10.248 1.00 0.00 C ATOM 834 CG ASN A 53 110.501 -11.523 -10.249 1.00 0.00 C ATOM 835 OD1 ASN A 53 110.963 -12.547 -10.710 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.295 -11.517 -9.749 1.00 0.00 N ATOM 0 H ASN A 53 112.645 -10.914 -8.388 1.00 0.00 H new ATOM 0 HA ASN A 53 112.917 -11.334 -11.235 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.198 -9.713 -9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 53 110.951 -9.556 -11.023 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.740 -12.373 -9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.908 -10.656 -9.362 1.00 0.00 H new ATOM 843 N LEU A 54 113.827 -8.389 -10.136 1.00 0.00 N ATOM 844 CA LEU A 54 114.574 -7.176 -10.576 1.00 0.00 C ATOM 845 C LEU A 54 116.094 -7.448 -10.578 1.00 0.00 C ATOM 846 O LEU A 54 116.885 -6.561 -10.823 1.00 0.00 O ATOM 847 CB LEU A 54 114.211 -6.097 -9.557 1.00 0.00 C ATOM 848 CG LEU A 54 112.710 -5.814 -9.637 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.322 -4.811 -8.550 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.375 -5.224 -11.010 1.00 0.00 C ATOM 0 H LEU A 54 113.580 -8.414 -9.147 1.00 0.00 H new ATOM 0 HA LEU A 54 114.314 -6.876 -11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.478 -6.424 -8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.776 -5.187 -9.757 1.00 0.00 H new ATOM 0 HG LEU A 54 112.158 -6.743 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.252 -4.609 -8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.562 -5.225 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 54 112.875 -3.883 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.305 -5.022 -11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.928 -4.295 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.653 -5.934 -11.789 1.00 0.00 H new ATOM 862 N LYS A 55 116.506 -8.671 -10.301 1.00 0.00 N ATOM 863 CA LYS A 55 117.958 -9.014 -10.283 1.00 0.00 C ATOM 864 C LYS A 55 118.719 -8.121 -9.301 1.00 0.00 C ATOM 865 O LYS A 55 119.885 -7.834 -9.487 1.00 0.00 O ATOM 866 CB LYS A 55 118.462 -8.799 -11.709 1.00 0.00 C ATOM 867 CG LYS A 55 117.814 -9.810 -12.655 1.00 0.00 C ATOM 868 CD LYS A 55 118.434 -9.658 -14.048 1.00 0.00 C ATOM 869 CE LYS A 55 118.104 -8.269 -14.612 1.00 0.00 C ATOM 870 NZ LYS A 55 118.551 -8.275 -16.047 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.883 -9.450 -10.085 1.00 0.00 H new ATOM 0 HA LYS A 55 118.115 -10.042 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.231 -7.785 -12.035 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.546 -8.905 -11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 55 117.966 -10.824 -12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.738 -9.645 -12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 55 119.514 -9.791 -13.992 1.00 0.00 H new ATOM 0 HD3 LYS A 55 118.051 -10.432 -14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.036 -8.064 -14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 55 118.617 -7.489 -14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 118.348 -7.350 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 119.573 -8.461 -16.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 118.041 -9.018 -16.566 1.00 0.00 H new ATOM 884 N MET A 56 118.079 -7.705 -8.244 1.00 0.00 N ATOM 885 CA MET A 56 118.765 -6.858 -7.230 1.00 0.00 C ATOM 886 C MET A 56 119.762 -7.712 -6.445 1.00 0.00 C ATOM 887 O MET A 56 120.763 -7.228 -5.954 1.00 0.00 O ATOM 888 CB MET A 56 117.648 -6.345 -6.323 1.00 0.00 C ATOM 889 CG MET A 56 116.901 -5.222 -7.047 1.00 0.00 C ATOM 890 SD MET A 56 115.611 -4.551 -5.970 1.00 0.00 S ATOM 891 CE MET A 56 114.804 -3.498 -7.205 1.00 0.00 C ATOM 0 H MET A 56 117.103 -7.917 -8.038 1.00 0.00 H new ATOM 0 HA MET A 56 119.327 -6.035 -7.673 1.00 0.00 H new ATOM 0 HB2 MET A 56 116.962 -7.155 -6.074 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.063 -5.978 -5.384 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.598 -4.433 -7.331 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.458 -5.602 -7.968 1.00 0.00 H new ATOM 0 HE1 MET A 56 113.751 -3.380 -6.950 1.00 0.00 H new ATOM 0 HE2 MET A 56 115.285 -2.520 -7.220 1.00 0.00 H new ATOM 0 HE3 MET A 56 114.890 -3.960 -8.189 1.00 0.00 H new ATOM 901 N ASP A 57 119.496 -8.985 -6.333 1.00 0.00 N ATOM 902 CA ASP A 57 120.421 -9.885 -5.589 1.00 0.00 C ATOM 903 C ASP A 57 121.733 -10.042 -6.363 1.00 0.00 C ATOM 904 O ASP A 57 122.685 -10.602 -5.849 1.00 0.00 O ATOM 905 CB ASP A 57 119.681 -11.224 -5.511 1.00 0.00 C ATOM 906 CG ASP A 57 119.324 -11.716 -6.918 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.564 -10.989 -7.869 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 118.813 -12.818 -7.020 1.00 0.00 O ATOM 0 H ASP A 57 118.674 -9.442 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 57 120.677 -9.500 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.304 -11.963 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 57 118.774 -11.112 -4.916 1.00 0.00 H new ATOM 913 N ASN A 58 121.807 -9.578 -7.589 1.00 0.00 N ATOM 914 CA ASN A 58 123.076 -9.756 -8.346 1.00 0.00 C ATOM 915 C ASN A 58 124.049 -8.621 -8.043 1.00 0.00 C ATOM 916 O ASN A 58 124.117 -7.625 -8.736 1.00 0.00 O ATOM 917 CB ASN A 58 122.683 -9.791 -9.825 1.00 0.00 C ATOM 918 CG ASN A 58 121.927 -11.090 -10.135 1.00 0.00 C ATOM 919 OD1 ASN A 58 120.940 -11.070 -10.841 1.00 0.00 O ATOM 920 ND2 ASN A 58 122.351 -12.231 -9.650 1.00 0.00 N ATOM 0 H ASN A 58 121.058 -9.095 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 58 123.591 -10.674 -8.063 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.058 -8.931 -10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 58 123.574 -9.721 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 58 121.852 -13.094 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 58 123.180 -12.256 -9.056 1.00 0.00 H new ATOM 927 N THR A 59 124.829 -8.802 -7.013 1.00 0.00 N ATOM 928 CA THR A 59 125.850 -7.787 -6.638 1.00 0.00 C ATOM 929 C THR A 59 127.145 -8.513 -6.268 1.00 0.00 C ATOM 930 O THR A 59 127.138 -9.667 -5.890 1.00 0.00 O ATOM 931 CB THR A 59 125.270 -7.050 -5.430 1.00 0.00 C ATOM 932 OG1 THR A 59 124.990 -7.981 -4.406 1.00 0.00 O ATOM 933 CG2 THR A 59 123.984 -6.329 -5.828 1.00 0.00 C ATOM 0 H THR A 59 124.801 -9.622 -6.408 1.00 0.00 H new ATOM 0 HA THR A 59 126.077 -7.089 -7.444 1.00 0.00 H new ATOM 0 HB THR A 59 125.994 -6.317 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.073 -8.311 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.577 -5.806 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.200 -5.609 -6.618 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.256 -7.056 -6.188 1.00 0.00 H new ATOM 941 N LYS A 60 128.257 -7.846 -6.398 1.00 0.00 N ATOM 942 CA LYS A 60 129.563 -8.490 -6.079 1.00 0.00 C ATOM 943 C LYS A 60 129.625 -8.965 -4.624 1.00 0.00 C ATOM 944 O LYS A 60 130.062 -10.066 -4.350 1.00 0.00 O ATOM 945 CB LYS A 60 130.608 -7.402 -6.334 1.00 0.00 C ATOM 946 CG LYS A 60 132.001 -7.926 -5.970 1.00 0.00 C ATOM 947 CD LYS A 60 133.038 -6.834 -6.231 1.00 0.00 C ATOM 948 CE LYS A 60 134.429 -7.348 -5.849 1.00 0.00 C ATOM 949 NZ LYS A 60 134.673 -8.557 -6.703 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.319 -6.878 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 60 129.726 -9.380 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.585 -7.101 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.376 -6.516 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.027 -8.225 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.234 -8.813 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.021 -6.546 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 60 132.796 -5.943 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 60 135.188 -6.586 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.473 -7.603 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 135.661 -8.559 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 134.488 -9.417 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.039 -8.534 -7.527 1.00 0.00 H new ATOM 963 N LEU A 61 129.202 -8.157 -3.688 1.00 0.00 N ATOM 964 CA LEU A 61 129.257 -8.598 -2.262 1.00 0.00 C ATOM 965 C LEU A 61 127.901 -9.126 -1.782 1.00 0.00 C ATOM 966 O LEU A 61 127.761 -9.488 -0.632 1.00 0.00 O ATOM 967 CB LEU A 61 129.655 -7.372 -1.449 1.00 0.00 C ATOM 968 CG LEU A 61 131.040 -6.899 -1.867 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.340 -5.568 -1.175 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.078 -7.937 -1.444 1.00 0.00 C ATOM 0 H LEU A 61 128.825 -7.222 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 61 129.971 -9.414 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.928 -6.574 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.649 -7.612 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 61 131.077 -6.769 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.331 -5.221 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.595 -4.829 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.309 -5.705 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.071 -7.601 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.047 -8.062 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.857 -8.889 -1.926 1.00 0.00 H new ATOM 982 N GLN A 62 126.909 -9.186 -2.647 1.00 0.00 N ATOM 983 CA GLN A 62 125.569 -9.715 -2.238 1.00 0.00 C ATOM 984 C GLN A 62 124.981 -8.934 -1.063 1.00 0.00 C ATOM 985 O GLN A 62 124.253 -9.451 -0.247 1.00 0.00 O ATOM 986 CB GLN A 62 125.819 -11.178 -1.856 1.00 0.00 C ATOM 987 CG GLN A 62 126.268 -11.940 -3.102 1.00 0.00 C ATOM 988 CD GLN A 62 126.559 -13.395 -2.734 1.00 0.00 C ATOM 989 OE1 GLN A 62 125.764 -14.039 -2.079 1.00 0.00 O ATOM 990 NE2 GLN A 62 127.675 -13.941 -3.130 1.00 0.00 N ATOM 0 H GLN A 62 126.974 -8.889 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 62 124.841 -9.617 -3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.581 -11.241 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.911 -11.622 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.493 -11.896 -3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.159 -11.475 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 62 128.341 -13.399 -3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.882 -14.911 -2.890 1.00 0.00 H new ATOM 999 N ASN A 63 125.293 -7.667 -1.015 1.00 0.00 N ATOM 1000 CA ASN A 63 124.775 -6.770 0.060 1.00 0.00 C ATOM 1001 C ASN A 63 123.767 -5.769 -0.509 1.00 0.00 C ATOM 1002 O ASN A 63 123.888 -4.574 -0.324 1.00 0.00 O ATOM 1003 CB ASN A 63 126.004 -6.038 0.587 1.00 0.00 C ATOM 1004 CG ASN A 63 126.910 -7.032 1.311 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.464 -8.075 1.745 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.176 -6.755 1.453 1.00 0.00 N ATOM 0 H ASN A 63 125.900 -7.205 -1.692 1.00 0.00 H new ATOM 0 HA ASN A 63 124.258 -7.328 0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.543 -5.569 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.703 -5.240 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.792 -7.414 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.550 -5.879 1.088 1.00 0.00 H new ATOM 1013 N GLY A 64 122.756 -6.256 -1.171 1.00 0.00 N ATOM 1014 CA GLY A 64 121.714 -5.346 -1.719 1.00 0.00 C ATOM 1015 C GLY A 64 120.516 -5.359 -0.770 1.00 0.00 C ATOM 1016 O GLY A 64 120.167 -6.385 -0.217 1.00 0.00 O ATOM 0 H GLY A 64 122.606 -7.248 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.108 -4.335 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.413 -5.670 -2.715 1.00 0.00 H new ATOM 1020 N VAL A 65 119.882 -4.235 -0.565 1.00 0.00 N ATOM 1021 CA VAL A 65 118.714 -4.215 0.361 1.00 0.00 C ATOM 1022 C VAL A 65 117.476 -3.702 -0.376 1.00 0.00 C ATOM 1023 O VAL A 65 117.521 -2.712 -1.074 1.00 0.00 O ATOM 1024 CB VAL A 65 119.121 -3.264 1.502 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.918 -2.960 2.403 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.219 -3.912 2.343 1.00 0.00 C ATOM 0 H VAL A 65 120.119 -3.340 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 65 118.463 -5.205 0.743 1.00 0.00 H new ATOM 0 HB VAL A 65 119.485 -2.334 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.224 -2.287 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.132 -2.489 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.542 -3.888 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.505 -3.237 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.850 -4.847 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 65 121.086 -4.115 1.715 1.00 0.00 H new ATOM 1036 N LEU A 66 116.372 -4.379 -0.229 1.00 0.00 N ATOM 1037 CA LEU A 66 115.136 -3.933 -0.921 1.00 0.00 C ATOM 1038 C LEU A 66 114.049 -3.588 0.096 1.00 0.00 C ATOM 1039 O LEU A 66 113.764 -4.356 0.996 1.00 0.00 O ATOM 1040 CB LEU A 66 114.699 -5.138 -1.745 1.00 0.00 C ATOM 1041 CG LEU A 66 113.489 -4.745 -2.594 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.876 -3.606 -3.540 1.00 0.00 C ATOM 1043 CD2 LEU A 66 113.021 -5.950 -3.411 1.00 0.00 C ATOM 0 H LEU A 66 116.274 -5.220 0.340 1.00 0.00 H new ATOM 0 HA LEU A 66 115.306 -3.044 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.515 -5.473 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.445 -5.971 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 66 112.681 -4.416 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 113.013 -3.326 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 66 114.205 -2.745 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.685 -3.934 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 66 112.159 -5.667 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.828 -6.283 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.742 -6.760 -2.737 1.00 0.00 H new ATOM 1055 N ILE A 67 113.436 -2.449 -0.045 1.00 0.00 N ATOM 1056 CA ILE A 67 112.362 -2.082 0.922 1.00 0.00 C ATOM 1057 C ILE A 67 111.000 -2.117 0.219 1.00 0.00 C ATOM 1058 O ILE A 67 110.740 -1.352 -0.683 1.00 0.00 O ATOM 1059 CB ILE A 67 112.717 -0.677 1.408 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.140 -0.674 1.972 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.743 -0.248 2.507 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.541 0.761 2.310 1.00 0.00 C ATOM 0 H ILE A 67 113.626 -1.763 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 67 112.294 -2.774 1.762 1.00 0.00 H new ATOM 0 HB ILE A 67 112.651 0.017 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.192 -1.299 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.833 -1.097 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.000 0.754 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.727 -0.247 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.807 -0.945 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.554 0.771 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.503 1.371 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.852 1.166 3.051 1.00 0.00 H new ATOM 1074 N TYR A 68 110.131 -3.006 0.621 1.00 0.00 N ATOM 1075 CA TYR A 68 108.794 -3.091 -0.038 1.00 0.00 C ATOM 1076 C TYR A 68 107.739 -2.413 0.832 1.00 0.00 C ATOM 1077 O TYR A 68 107.589 -2.718 1.994 1.00 0.00 O ATOM 1078 CB TYR A 68 108.504 -4.588 -0.157 1.00 0.00 C ATOM 1079 CG TYR A 68 107.203 -4.795 -0.894 1.00 0.00 C ATOM 1080 CD1 TYR A 68 105.989 -4.740 -0.198 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.210 -5.044 -2.272 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.782 -4.934 -0.880 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.001 -5.238 -2.953 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.788 -5.183 -2.257 1.00 0.00 C ATOM 1085 OH TYR A 68 103.597 -5.370 -2.928 1.00 0.00 O ATOM 0 H TYR A 68 110.288 -3.675 1.375 1.00 0.00 H new ATOM 0 HA TYR A 68 108.779 -2.595 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.317 -5.085 -0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.448 -5.038 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 68 105.984 -4.548 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.146 -5.086 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.846 -4.891 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.005 -5.430 -4.016 1.00 0.00 H new ATOM 0 HH TYR A 68 102.943 -5.782 -2.325 1.00 0.00 H new ATOM 1095 N VAL A 69 107.032 -1.473 0.282 1.00 0.00 N ATOM 1096 CA VAL A 69 106.015 -0.746 1.088 1.00 0.00 C ATOM 1097 C VAL A 69 104.614 -0.836 0.450 1.00 0.00 C ATOM 1098 O VAL A 69 104.419 -0.550 -0.713 1.00 0.00 O ATOM 1099 CB VAL A 69 106.531 0.705 1.088 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.482 1.652 1.678 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.815 0.787 1.922 1.00 0.00 C ATOM 0 H VAL A 69 107.112 -1.175 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 69 105.899 -1.160 2.090 1.00 0.00 H new ATOM 0 HB VAL A 69 106.733 1.004 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.866 2.672 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.571 1.602 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.261 1.357 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.183 1.813 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.605 0.475 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.571 0.131 1.491 1.00 0.00 H new ATOM 1111 N ALA A 70 103.642 -1.194 1.244 1.00 0.00 N ATOM 1112 CA ALA A 70 102.236 -1.266 0.754 1.00 0.00 C ATOM 1113 C ALA A 70 101.522 0.024 1.171 1.00 0.00 C ATOM 1114 O ALA A 70 100.975 0.115 2.253 1.00 0.00 O ATOM 1115 CB ALA A 70 101.624 -2.468 1.473 1.00 0.00 C ATOM 0 H ALA A 70 103.765 -1.443 2.225 1.00 0.00 H new ATOM 0 HA ALA A 70 102.158 -1.371 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.586 -2.587 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.184 -3.368 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.665 -2.307 2.550 1.00 0.00 H new ATOM 1121 N VAL A 71 101.551 1.034 0.346 1.00 0.00 N ATOM 1122 CA VAL A 71 100.905 2.324 0.737 1.00 0.00 C ATOM 1123 C VAL A 71 99.412 2.132 1.015 1.00 0.00 C ATOM 1124 O VAL A 71 98.816 2.909 1.736 1.00 0.00 O ATOM 1125 CB VAL A 71 101.103 3.275 -0.445 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.593 3.463 -0.719 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.423 2.693 -1.685 1.00 0.00 C ATOM 0 H VAL A 71 101.989 1.025 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 71 101.349 2.718 1.651 1.00 0.00 H new ATOM 0 HB VAL A 71 100.661 4.242 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.725 4.141 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 71 103.075 3.883 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.044 2.499 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.563 3.369 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.863 1.724 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.357 2.570 -1.492 1.00 0.00 H new ATOM 1137 N GLU A 72 98.796 1.107 0.479 1.00 0.00 N ATOM 1138 CA GLU A 72 97.345 0.901 0.766 1.00 0.00 C ATOM 1139 C GLU A 72 97.171 0.572 2.250 1.00 0.00 C ATOM 1140 O GLU A 72 96.284 1.075 2.908 1.00 0.00 O ATOM 1141 CB GLU A 72 96.927 -0.282 -0.102 1.00 0.00 C ATOM 1142 CG GLU A 72 97.032 0.118 -1.574 1.00 0.00 C ATOM 1143 CD GLU A 72 96.063 1.266 -1.865 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.136 1.446 -1.093 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 96.265 1.949 -2.857 1.00 0.00 O ATOM 0 H GLU A 72 99.227 0.415 -0.134 1.00 0.00 H new ATOM 0 HA GLU A 72 96.741 1.782 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.566 -1.142 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.906 -0.580 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 72 98.052 0.422 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.801 -0.736 -2.211 1.00 0.00 H new ATOM 1152 N ASP A 73 98.027 -0.255 2.782 1.00 0.00 N ATOM 1153 CA ASP A 73 97.924 -0.603 4.229 1.00 0.00 C ATOM 1154 C ASP A 73 98.955 0.188 5.052 1.00 0.00 C ATOM 1155 O ASP A 73 99.091 -0.013 6.242 1.00 0.00 O ATOM 1156 CB ASP A 73 98.212 -2.101 4.289 1.00 0.00 C ATOM 1157 CG ASP A 73 97.114 -2.866 3.537 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.067 -2.285 3.295 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.343 -4.018 3.210 1.00 0.00 O ATOM 0 H ASP A 73 98.792 -0.705 2.280 1.00 0.00 H new ATOM 0 HA ASP A 73 96.947 -0.357 4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.185 -2.313 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.255 -2.432 5.327 1.00 0.00 H new ATOM 1164 N LYS A 74 99.683 1.093 4.438 1.00 0.00 N ATOM 1165 CA LYS A 74 100.690 1.886 5.199 1.00 0.00 C ATOM 1166 C LYS A 74 101.665 0.962 5.931 1.00 0.00 C ATOM 1167 O LYS A 74 101.961 1.149 7.094 1.00 0.00 O ATOM 1168 CB LYS A 74 99.880 2.714 6.197 1.00 0.00 C ATOM 1169 CG LYS A 74 100.522 4.093 6.343 1.00 0.00 C ATOM 1170 CD LYS A 74 99.640 4.974 7.223 1.00 0.00 C ATOM 1171 CE LYS A 74 100.297 6.345 7.384 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.360 7.120 8.242 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.620 1.313 3.444 1.00 0.00 H new ATOM 0 HA LYS A 74 101.291 2.515 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.850 2.813 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.847 2.211 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.515 3.999 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.650 4.552 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.652 5.082 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.499 4.509 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.280 6.260 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.441 6.830 6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.742 8.075 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.435 7.190 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.247 6.638 9.157 1.00 0.00 H new ATOM 1186 N THR A 75 102.172 -0.028 5.251 1.00 0.00 N ATOM 1187 CA THR A 75 103.140 -0.965 5.897 1.00 0.00 C ATOM 1188 C THR A 75 104.450 -0.977 5.106 1.00 0.00 C ATOM 1189 O THR A 75 104.504 -0.550 3.968 1.00 0.00 O ATOM 1190 CB THR A 75 102.473 -2.349 5.872 1.00 0.00 C ATOM 1191 OG1 THR A 75 103.305 -3.282 6.559 1.00 0.00 O ATOM 1192 CG2 THR A 75 102.279 -2.810 4.427 1.00 0.00 C ATOM 0 H THR A 75 101.959 -0.231 4.274 1.00 0.00 H new ATOM 0 HA THR A 75 103.379 -0.667 6.918 1.00 0.00 H new ATOM 0 HB THR A 75 101.500 -2.289 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 75 102.883 -4.167 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 75 101.806 -3.792 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.645 -2.097 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 75 103.248 -2.870 3.931 1.00 0.00 H new ATOM 1200 N PHE A 76 105.508 -1.454 5.702 1.00 0.00 N ATOM 1201 CA PHE A 76 106.824 -1.491 5.003 1.00 0.00 C ATOM 1202 C PHE A 76 107.593 -2.760 5.398 1.00 0.00 C ATOM 1203 O PHE A 76 107.597 -3.163 6.544 1.00 0.00 O ATOM 1204 CB PHE A 76 107.547 -0.241 5.511 1.00 0.00 C ATOM 1205 CG PHE A 76 107.707 -0.329 7.009 1.00 0.00 C ATOM 1206 CD1 PHE A 76 106.676 0.102 7.853 1.00 0.00 C ATOM 1207 CD2 PHE A 76 108.881 -0.856 7.550 1.00 0.00 C ATOM 1208 CE1 PHE A 76 106.824 0.005 9.243 1.00 0.00 C ATOM 1209 CE2 PHE A 76 109.032 -0.952 8.937 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.005 -0.523 9.783 1.00 0.00 C ATOM 0 H PHE A 76 105.517 -1.823 6.653 1.00 0.00 H new ATOM 0 HA PHE A 76 106.731 -1.506 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.523 -0.153 5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.982 0.653 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 76 105.768 0.509 7.433 1.00 0.00 H new ATOM 0 HD2 PHE A 76 109.674 -1.190 6.897 1.00 0.00 H new ATOM 0 HE1 PHE A 76 106.030 0.336 9.896 1.00 0.00 H new ATOM 0 HE2 PHE A 76 109.942 -1.357 9.354 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.122 -0.598 10.854 1.00 0.00 H new ATOM 1220 N VAL A 77 108.245 -3.388 4.460 1.00 0.00 N ATOM 1221 CA VAL A 77 109.012 -4.626 4.775 1.00 0.00 C ATOM 1222 C VAL A 77 110.430 -4.485 4.222 1.00 0.00 C ATOM 1223 O VAL A 77 110.618 -3.970 3.135 1.00 0.00 O ATOM 1224 CB VAL A 77 108.253 -5.744 4.058 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.056 -7.050 4.111 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.904 -5.943 4.744 1.00 0.00 C ATOM 0 H VAL A 77 108.280 -3.096 3.483 1.00 0.00 H new ATOM 0 HA VAL A 77 109.097 -4.823 5.844 1.00 0.00 H new ATOM 0 HB VAL A 77 108.104 -5.469 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.504 -7.837 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.020 -6.905 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.215 -7.337 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.354 -6.738 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.063 -6.216 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.330 -5.017 4.694 1.00 0.00 H new ATOM 1236 N ILE A 78 111.427 -4.925 4.940 1.00 0.00 N ATOM 1237 CA ILE A 78 112.813 -4.795 4.410 1.00 0.00 C ATOM 1238 C ILE A 78 113.441 -6.175 4.189 1.00 0.00 C ATOM 1239 O ILE A 78 113.467 -7.016 5.065 1.00 0.00 O ATOM 1240 CB ILE A 78 113.574 -3.999 5.462 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.888 -2.647 5.646 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.011 -3.771 4.983 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.480 -1.934 6.861 1.00 0.00 C ATOM 0 H ILE A 78 111.344 -5.363 5.858 1.00 0.00 H new ATOM 0 HA ILE A 78 112.835 -4.296 3.441 1.00 0.00 H new ATOM 0 HB ILE A 78 113.585 -4.545 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.020 -2.036 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.815 -2.787 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.559 -3.201 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.500 -4.733 4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.998 -3.216 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.990 -0.969 6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.325 -2.543 7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.548 -1.780 6.708 1.00 0.00 H new ATOM 1255 N TYR A 79 113.940 -6.400 3.008 1.00 0.00 N ATOM 1256 CA TYR A 79 114.575 -7.708 2.679 1.00 0.00 C ATOM 1257 C TYR A 79 115.966 -7.477 2.097 1.00 0.00 C ATOM 1258 O TYR A 79 116.124 -6.892 1.043 1.00 0.00 O ATOM 1259 CB TYR A 79 113.643 -8.355 1.645 1.00 0.00 C ATOM 1260 CG TYR A 79 114.168 -9.721 1.260 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.177 -10.752 2.207 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.646 -9.961 -0.039 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.658 -12.020 1.860 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.127 -11.232 -0.384 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.134 -12.260 0.566 1.00 0.00 C ATOM 1266 OH TYR A 79 115.608 -13.513 0.226 1.00 0.00 O ATOM 0 H TYR A 79 113.936 -5.724 2.244 1.00 0.00 H new ATOM 0 HA TYR A 79 114.702 -8.345 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.637 -8.445 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.571 -7.721 0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 79 113.812 -10.569 3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.643 -9.167 -0.771 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.662 -12.814 2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.492 -11.418 -1.383 1.00 0.00 H new ATOM 0 HH TYR A 79 115.899 -13.510 -0.710 1.00 0.00 H new ATOM 1276 N GLY A 80 116.980 -7.932 2.784 1.00 0.00 N ATOM 1277 CA GLY A 80 118.363 -7.744 2.282 1.00 0.00 C ATOM 1278 C GLY A 80 118.854 -9.055 1.686 1.00 0.00 C ATOM 1279 O GLY A 80 118.312 -10.112 1.938 1.00 0.00 O ATOM 0 H GLY A 80 116.905 -8.426 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.387 -6.956 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.019 -7.430 3.094 1.00 0.00 H new ATOM 1283 N ASP A 81 119.872 -8.986 0.885 1.00 0.00 N ATOM 1284 CA ASP A 81 120.402 -10.220 0.251 1.00 0.00 C ATOM 1285 C ASP A 81 121.160 -11.059 1.287 1.00 0.00 C ATOM 1286 O ASP A 81 121.416 -10.618 2.390 1.00 0.00 O ATOM 1287 CB ASP A 81 121.329 -9.711 -0.851 1.00 0.00 C ATOM 1288 CG ASP A 81 121.940 -10.892 -1.606 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.356 -11.962 -1.565 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 122.980 -10.705 -2.220 1.00 0.00 O ATOM 0 H ASP A 81 120.363 -8.126 0.640 1.00 0.00 H new ATOM 0 HA ASP A 81 119.621 -10.867 -0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.773 -9.076 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.119 -9.097 -0.419 1.00 0.00 H new ATOM 1295 N LYS A 82 121.509 -12.270 0.944 1.00 0.00 N ATOM 1296 CA LYS A 82 122.236 -13.143 1.911 1.00 0.00 C ATOM 1297 C LYS A 82 123.500 -12.435 2.407 1.00 0.00 C ATOM 1298 O LYS A 82 123.971 -12.671 3.497 1.00 0.00 O ATOM 1299 CB LYS A 82 122.598 -14.406 1.121 1.00 0.00 C ATOM 1300 CG LYS A 82 121.320 -15.154 0.733 1.00 0.00 C ATOM 1301 CD LYS A 82 121.678 -16.427 -0.044 1.00 0.00 C ATOM 1302 CE LYS A 82 120.392 -17.145 -0.467 1.00 0.00 C ATOM 1303 NZ LYS A 82 120.846 -18.394 -1.141 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.322 -12.693 0.035 1.00 0.00 H new ATOM 0 HA LYS A 82 121.635 -13.377 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.161 -14.139 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.241 -15.050 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 82 120.752 -15.411 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.683 -14.512 0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.272 -16.175 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.288 -17.085 0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 82 119.764 -17.369 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.799 -16.527 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.018 -18.938 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.436 -18.151 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.401 -18.966 -0.474 1.00 0.00 H new ATOM 1317 N GLY A 83 124.052 -11.569 1.604 1.00 0.00 N ATOM 1318 CA GLY A 83 125.290 -10.852 2.025 1.00 0.00 C ATOM 1319 C GLY A 83 125.000 -9.981 3.251 1.00 0.00 C ATOM 1320 O GLY A 83 125.707 -10.053 4.242 1.00 0.00 O ATOM 0 H GLY A 83 123.702 -11.326 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.075 -11.571 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.657 -10.232 1.207 1.00 0.00 H new ATOM 1324 N ILE A 84 123.964 -9.177 3.220 1.00 0.00 N ATOM 1325 CA ILE A 84 123.656 -8.345 4.424 1.00 0.00 C ATOM 1326 C ILE A 84 123.245 -9.283 5.566 1.00 0.00 C ATOM 1327 O ILE A 84 123.641 -9.124 6.697 1.00 0.00 O ATOM 1328 CB ILE A 84 122.485 -7.436 4.005 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.956 -6.397 2.981 1.00 0.00 C ATOM 1330 CG2 ILE A 84 121.918 -6.714 5.228 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.003 -6.410 1.785 1.00 0.00 C ATOM 0 H ILE A 84 123.330 -9.062 2.429 1.00 0.00 H new ATOM 0 HA ILE A 84 124.503 -7.750 4.766 1.00 0.00 H new ATOM 0 HB ILE A 84 121.711 -8.058 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 84 122.979 -5.406 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.972 -6.622 2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.091 -6.074 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.561 -7.448 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 84 122.698 -6.105 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.330 -5.674 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 84 122.003 -7.401 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 84 120.995 -6.165 2.120 1.00 0.00 H new ATOM 1343 N ASN A 85 122.410 -10.235 5.279 1.00 0.00 N ATOM 1344 CA ASN A 85 121.924 -11.148 6.350 1.00 0.00 C ATOM 1345 C ASN A 85 123.069 -11.979 6.944 1.00 0.00 C ATOM 1346 O ASN A 85 123.092 -12.254 8.128 1.00 0.00 O ATOM 1347 CB ASN A 85 120.877 -12.024 5.661 1.00 0.00 C ATOM 1348 CG ASN A 85 119.619 -11.185 5.411 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.414 -10.177 6.059 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.771 -11.547 4.486 1.00 0.00 N ATOM 0 H ASN A 85 122.040 -10.423 4.347 1.00 0.00 H new ATOM 0 HA ASN A 85 121.504 -10.606 7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.268 -12.409 4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.638 -12.887 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 85 117.939 -10.984 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 85 118.941 -12.392 3.941 1.00 0.00 H new ATOM 1357 N ASP A 86 124.021 -12.378 6.147 1.00 0.00 N ATOM 1358 CA ASP A 86 125.160 -13.183 6.678 1.00 0.00 C ATOM 1359 C ASP A 86 126.185 -12.307 7.418 1.00 0.00 C ATOM 1360 O ASP A 86 126.986 -12.802 8.187 1.00 0.00 O ATOM 1361 CB ASP A 86 125.813 -13.780 5.429 1.00 0.00 C ATOM 1362 CG ASP A 86 124.880 -14.820 4.801 1.00 0.00 C ATOM 1363 OD1 ASP A 86 123.973 -15.264 5.483 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.089 -15.150 3.644 1.00 0.00 O ATOM 0 H ASP A 86 124.060 -12.181 5.147 1.00 0.00 H new ATOM 0 HA ASP A 86 124.818 -13.929 7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.030 -12.991 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.764 -14.243 5.691 1.00 0.00 H new ATOM 1369 N VAL A 87 126.198 -11.018 7.175 1.00 0.00 N ATOM 1370 CA VAL A 87 127.213 -10.155 7.861 1.00 0.00 C ATOM 1371 C VAL A 87 126.614 -9.359 9.037 1.00 0.00 C ATOM 1372 O VAL A 87 127.309 -9.031 9.979 1.00 0.00 O ATOM 1373 CB VAL A 87 127.752 -9.212 6.772 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.682 -8.200 6.359 1.00 0.00 C ATOM 1375 CG2 VAL A 87 128.969 -8.459 7.314 1.00 0.00 C ATOM 0 H VAL A 87 125.562 -10.532 6.543 1.00 0.00 H new ATOM 0 HA VAL A 87 128.001 -10.764 8.304 1.00 0.00 H new ATOM 0 HB VAL A 87 128.032 -9.806 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.082 -7.542 5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 87 125.812 -8.729 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.388 -7.607 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.354 -7.789 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.677 -7.878 8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.743 -9.173 7.595 1.00 0.00 H new ATOM 1385 N VAL A 88 125.343 -9.044 9.005 1.00 0.00 N ATOM 1386 CA VAL A 88 124.749 -8.269 10.142 1.00 0.00 C ATOM 1387 C VAL A 88 123.668 -9.090 10.869 1.00 0.00 C ATOM 1388 O VAL A 88 123.235 -10.120 10.395 1.00 0.00 O ATOM 1389 CB VAL A 88 124.128 -7.011 9.522 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.178 -6.239 8.724 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.968 -7.393 8.608 1.00 0.00 C ATOM 0 H VAL A 88 124.697 -9.285 8.253 1.00 0.00 H new ATOM 0 HA VAL A 88 125.510 -8.022 10.882 1.00 0.00 H new ATOM 0 HB VAL A 88 123.756 -6.377 10.327 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.723 -5.349 8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.993 -5.944 9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.568 -6.873 7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.535 -6.492 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.331 -8.042 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.208 -7.919 9.186 1.00 0.00 H new ATOM 1401 N SER A 89 123.259 -8.655 12.031 1.00 0.00 N ATOM 1402 CA SER A 89 122.234 -9.427 12.804 1.00 0.00 C ATOM 1403 C SER A 89 120.879 -8.698 12.873 1.00 0.00 C ATOM 1404 O SER A 89 120.719 -7.601 12.369 1.00 0.00 O ATOM 1405 CB SER A 89 122.834 -9.552 14.203 1.00 0.00 C ATOM 1406 OG SER A 89 124.075 -10.244 14.121 1.00 0.00 O ATOM 0 H SER A 89 123.588 -7.800 12.480 1.00 0.00 H new ATOM 0 HA SER A 89 122.025 -10.387 12.333 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.983 -8.563 14.637 1.00 0.00 H new ATOM 0 HB3 SER A 89 122.148 -10.088 14.859 1.00 0.00 H new ATOM 0 HG SER A 89 124.464 -10.325 15.017 1.00 0.00 H new ATOM 1412 N ASP A 90 119.907 -9.302 13.518 1.00 0.00 N ATOM 1413 CA ASP A 90 118.565 -8.657 13.649 1.00 0.00 C ATOM 1414 C ASP A 90 118.715 -7.334 14.404 1.00 0.00 C ATOM 1415 O ASP A 90 118.058 -6.356 14.107 1.00 0.00 O ATOM 1416 CB ASP A 90 117.728 -9.652 14.462 1.00 0.00 C ATOM 1417 CG ASP A 90 116.288 -9.145 14.605 1.00 0.00 C ATOM 1418 OD1 ASP A 90 115.974 -8.120 14.020 1.00 0.00 O1- ATOM 1419 OD2 ASP A 90 115.518 -9.799 15.291 1.00 0.00 O ATOM 0 H ASP A 90 119.989 -10.218 13.960 1.00 0.00 H new ATOM 0 HA ASP A 90 118.103 -8.435 12.687 1.00 0.00 H new ATOM 0 HB2 ASP A 90 117.731 -10.626 13.972 1.00 0.00 H new ATOM 0 HB3 ASP A 90 118.172 -9.790 15.448 1.00 0.00 H new ATOM 1424 N ASP A 91 119.585 -7.300 15.379 1.00 0.00 N ATOM 1425 CA ASP A 91 119.795 -6.042 16.149 1.00 0.00 C ATOM 1426 C ASP A 91 120.324 -4.951 15.219 1.00 0.00 C ATOM 1427 O ASP A 91 119.952 -3.799 15.332 1.00 0.00 O ATOM 1428 CB ASP A 91 120.812 -6.394 17.237 1.00 0.00 C ATOM 1429 CG ASP A 91 120.086 -6.992 18.445 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.885 -6.799 18.547 1.00 0.00 O ATOM 1431 OD2 ASP A 91 120.741 -7.636 19.247 1.00 0.00 O1- ATOM 0 H ASP A 91 120.159 -8.090 15.674 1.00 0.00 H new ATOM 0 HA ASP A 91 118.873 -5.660 16.588 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.542 -7.105 16.850 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.363 -5.502 17.536 1.00 0.00 H new ATOM 1436 N PHE A 92 121.162 -5.299 14.277 1.00 0.00 N ATOM 1437 CA PHE A 92 121.657 -4.267 13.327 1.00 0.00 C ATOM 1438 C PHE A 92 120.505 -3.834 12.407 1.00 0.00 C ATOM 1439 O PHE A 92 120.508 -2.751 11.854 1.00 0.00 O ATOM 1440 CB PHE A 92 122.803 -4.908 12.536 1.00 0.00 C ATOM 1441 CG PHE A 92 123.260 -3.949 11.460 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.071 -2.862 11.793 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.851 -4.139 10.136 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.479 -1.965 10.800 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.260 -3.245 9.141 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.074 -2.157 9.474 1.00 0.00 C ATOM 0 H PHE A 92 121.520 -6.242 14.128 1.00 0.00 H new ATOM 0 HA PHE A 92 122.017 -3.375 13.839 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.632 -5.148 13.202 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.473 -5.845 12.088 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.383 -2.714 12.816 1.00 0.00 H new ATOM 0 HD2 PHE A 92 122.219 -4.977 9.882 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.107 -1.124 11.057 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.948 -3.394 8.118 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.390 -1.465 8.708 1.00 0.00 H new ATOM 1456 N TRP A 93 119.526 -4.683 12.237 1.00 0.00 N ATOM 1457 CA TRP A 93 118.376 -4.342 11.354 1.00 0.00 C ATOM 1458 C TRP A 93 117.303 -3.570 12.135 1.00 0.00 C ATOM 1459 O TRP A 93 116.495 -2.851 11.582 1.00 0.00 O ATOM 1460 CB TRP A 93 117.831 -5.699 10.909 1.00 0.00 C ATOM 1461 CG TRP A 93 118.412 -6.060 9.582 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.701 -6.404 9.357 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.744 -6.123 8.293 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.862 -6.667 8.009 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.687 -6.505 7.312 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.426 -5.886 7.884 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.335 -6.644 5.971 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.064 -6.027 6.539 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.016 -6.404 5.582 1.00 0.00 C ATOM 0 H TRP A 93 119.475 -5.603 12.675 1.00 0.00 H new ATOM 0 HA TRP A 93 118.669 -3.708 10.517 1.00 0.00 H new ATOM 0 HB2 TRP A 93 118.080 -6.462 11.646 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.744 -5.662 10.844 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.476 -6.463 10.107 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.745 -6.947 7.583 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.683 -5.592 8.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.075 -6.934 5.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.043 -5.844 6.237 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.730 -6.509 4.546 1.00 0.00 H new ATOM 1480 N ASP A 94 117.257 -3.774 13.418 1.00 0.00 N ATOM 1481 CA ASP A 94 116.200 -3.130 14.241 1.00 0.00 C ATOM 1482 C ASP A 94 116.239 -1.598 14.148 1.00 0.00 C ATOM 1483 O ASP A 94 115.199 -0.967 14.161 1.00 0.00 O ATOM 1484 CB ASP A 94 116.482 -3.603 15.667 1.00 0.00 C ATOM 1485 CG ASP A 94 115.830 -4.976 15.899 1.00 0.00 C ATOM 1486 OD1 ASP A 94 115.140 -5.453 15.008 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 116.049 -5.538 16.959 1.00 0.00 O ATOM 0 H ASP A 94 117.910 -4.363 13.936 1.00 0.00 H new ATOM 0 HA ASP A 94 115.203 -3.406 13.896 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.557 -3.668 15.832 1.00 0.00 H new ATOM 0 HB3 ASP A 94 116.093 -2.880 16.384 1.00 0.00 H new ATOM 1492 N THR A 95 117.396 -0.983 14.059 1.00 0.00 N ATOM 1493 CA THR A 95 117.411 0.511 13.974 1.00 0.00 C ATOM 1494 C THR A 95 116.765 0.949 12.650 1.00 0.00 C ATOM 1495 O THR A 95 116.105 1.967 12.558 1.00 0.00 O ATOM 1496 CB THR A 95 118.882 0.931 14.053 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.517 0.211 15.099 1.00 0.00 O ATOM 1498 CG2 THR A 95 118.965 2.432 14.341 1.00 0.00 C ATOM 0 H THR A 95 118.309 -1.438 14.042 1.00 0.00 H new ATOM 0 HA THR A 95 116.845 0.980 14.779 1.00 0.00 H new ATOM 0 HB THR A 95 119.379 0.715 13.107 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.459 0.475 15.153 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.011 2.734 14.398 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.471 2.984 13.541 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.473 2.648 15.289 1.00 0.00 H new ATOM 1506 N THR A 96 116.969 0.156 11.628 1.00 0.00 N ATOM 1507 CA THR A 96 116.398 0.453 10.271 1.00 0.00 C ATOM 1508 C THR A 96 114.880 0.573 10.329 1.00 0.00 C ATOM 1509 O THR A 96 114.279 1.507 9.828 1.00 0.00 O ATOM 1510 CB THR A 96 116.736 -0.811 9.469 1.00 0.00 C ATOM 1511 OG1 THR A 96 118.109 -1.117 9.641 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.453 -0.591 7.986 1.00 0.00 C ATOM 0 H THR A 96 117.518 -0.703 11.675 1.00 0.00 H new ATOM 0 HA THR A 96 116.788 1.383 9.858 1.00 0.00 H new ATOM 0 HB THR A 96 116.119 -1.635 9.828 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.330 -1.925 9.132 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.698 -1.496 7.431 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.398 -0.355 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.061 0.236 7.618 1.00 0.00 H new ATOM 1520 N ARG A 97 114.270 -0.393 10.952 1.00 0.00 N ATOM 1521 CA ARG A 97 112.787 -0.416 11.084 1.00 0.00 C ATOM 1522 C ARG A 97 112.268 0.675 12.022 1.00 0.00 C ATOM 1523 O ARG A 97 111.216 1.233 11.782 1.00 0.00 O ATOM 1524 CB ARG A 97 112.474 -1.790 11.649 1.00 0.00 C ATOM 1525 CG ARG A 97 112.711 -2.845 10.571 1.00 0.00 C ATOM 1526 CD ARG A 97 112.470 -4.225 11.176 1.00 0.00 C ATOM 1527 NE ARG A 97 112.694 -5.188 10.061 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.678 -6.482 10.288 1.00 0.00 C ATOM 1529 NH1 ARG A 97 112.881 -6.952 11.495 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 112.459 -7.310 9.306 1.00 0.00 N ATOM 0 H ARG A 97 114.746 -1.185 11.385 1.00 0.00 H new ATOM 0 HA ARG A 97 112.305 -0.227 10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 97 113.103 -1.991 12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.440 -1.828 11.990 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.041 -2.680 9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.729 -2.773 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.153 -4.416 12.004 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.458 -4.310 11.572 1.00 0.00 H new ATOM 0 HE ARG A 97 112.861 -4.841 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.054 -6.311 12.270 1.00 0.00 H new ATOM 0 HH12 ARG A 97 112.866 -7.959 11.660 1.00 0.00 H new ATOM 0 HH21 ARG A 97 112.301 -6.953 8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.446 -8.315 9.480 1.00 0.00 H new ATOM 1544 N ASN A 98 112.959 0.971 13.099 1.00 0.00 N ATOM 1545 CA ASN A 98 112.431 2.017 14.027 1.00 0.00 C ATOM 1546 C ASN A 98 112.363 3.370 13.309 1.00 0.00 C ATOM 1547 O ASN A 98 111.387 4.081 13.418 1.00 0.00 O ATOM 1548 CB ASN A 98 113.390 2.067 15.220 1.00 0.00 C ATOM 1549 CG ASN A 98 113.075 0.926 16.190 1.00 0.00 C ATOM 1550 OD1 ASN A 98 112.048 0.286 16.082 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.918 0.653 17.149 1.00 0.00 N ATOM 0 H ASN A 98 113.845 0.544 13.370 1.00 0.00 H new ATOM 0 HA ASN A 98 111.420 1.784 14.362 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.420 1.987 14.873 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.299 3.026 15.731 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.715 -0.098 17.808 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.780 1.191 17.239 1.00 0.00 H new ATOM 1558 N ALA A 99 113.378 3.732 12.567 1.00 0.00 N ATOM 1559 CA ALA A 99 113.339 5.040 11.841 1.00 0.00 C ATOM 1560 C ALA A 99 112.200 5.064 10.820 1.00 0.00 C ATOM 1561 O ALA A 99 111.417 5.997 10.766 1.00 0.00 O ATOM 1562 CB ALA A 99 114.682 5.114 11.114 1.00 0.00 C ATOM 0 H ALA A 99 114.227 3.184 12.432 1.00 0.00 H new ATOM 0 HA ALA A 99 113.174 5.876 12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.741 6.046 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.492 5.077 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.772 4.271 10.429 1.00 0.00 H new ATOM 1568 N ILE A 100 112.093 4.045 10.011 1.00 0.00 N ATOM 1569 CA ILE A 100 111.000 4.006 8.997 1.00 0.00 C ATOM 1570 C ILE A 100 109.639 3.855 9.691 1.00 0.00 C ATOM 1571 O ILE A 100 108.667 4.488 9.329 1.00 0.00 O ATOM 1572 CB ILE A 100 111.330 2.804 8.103 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.618 3.102 7.330 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.197 2.565 7.103 1.00 0.00 C ATOM 1575 CD1 ILE A 100 113.040 1.867 6.534 1.00 0.00 C ATOM 0 H ILE A 100 112.716 3.237 10.008 1.00 0.00 H new ATOM 0 HA ILE A 100 110.934 4.922 8.409 1.00 0.00 H new ATOM 0 HB ILE A 100 111.454 1.917 8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.462 3.945 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.410 3.389 8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.442 1.710 6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.271 2.365 7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 100 110.070 3.450 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.957 2.083 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.214 1.036 7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.251 1.600 5.831 1.00 0.00 H new ATOM 1587 N GLN A 101 109.567 3.013 10.684 1.00 0.00 N ATOM 1588 CA GLN A 101 108.278 2.800 11.410 1.00 0.00 C ATOM 1589 C GLN A 101 107.827 4.089 12.114 1.00 0.00 C ATOM 1590 O GLN A 101 106.666 4.442 12.101 1.00 0.00 O ATOM 1591 CB GLN A 101 108.606 1.710 12.438 1.00 0.00 C ATOM 1592 CG GLN A 101 107.352 1.360 13.241 1.00 0.00 C ATOM 1593 CD GLN A 101 107.656 0.201 14.198 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.510 0.312 15.056 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.984 -0.914 14.092 1.00 0.00 N ATOM 0 H GLN A 101 110.350 2.458 11.028 1.00 0.00 H new ATOM 0 HA GLN A 101 107.464 2.518 10.742 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.984 0.822 11.932 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.394 2.055 13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 101 107.015 2.230 13.804 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.542 1.084 12.566 1.00 0.00 H new ATOM 0 HE21 GLN A 101 106.267 -1.011 13.373 1.00 0.00 H new ATOM 0 HE22 GLN A 101 107.177 -1.688 14.728 1.00 0.00 H new ATOM 1604 N LEU A 102 108.731 4.774 12.754 1.00 0.00 N ATOM 1605 CA LEU A 102 108.350 6.017 13.491 1.00 0.00 C ATOM 1606 C LEU A 102 107.811 7.100 12.553 1.00 0.00 C ATOM 1607 O LEU A 102 106.841 7.778 12.858 1.00 0.00 O ATOM 1608 CB LEU A 102 109.644 6.502 14.142 1.00 0.00 C ATOM 1609 CG LEU A 102 109.354 7.744 14.984 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.371 7.388 16.103 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.661 8.259 15.593 1.00 0.00 C ATOM 0 H LEU A 102 109.720 4.529 12.801 1.00 0.00 H new ATOM 0 HA LEU A 102 107.557 5.813 14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.066 5.716 14.767 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.385 6.733 13.377 1.00 0.00 H new ATOM 0 HG LEU A 102 108.916 8.518 14.354 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.165 8.275 16.702 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.442 7.021 15.668 1.00 0.00 H new ATOM 0 HD13 LEU A 102 108.805 6.615 16.736 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.458 9.145 16.194 1.00 0.00 H new ATOM 0 HD22 LEU A 102 111.098 7.485 16.224 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.358 8.514 14.795 1.00 0.00 H new ATOM 1623 N GLN A 103 108.428 7.271 11.417 1.00 0.00 N ATOM 1624 CA GLN A 103 107.936 8.322 10.484 1.00 0.00 C ATOM 1625 C GLN A 103 106.654 7.828 9.811 1.00 0.00 C ATOM 1626 O GLN A 103 105.722 8.577 9.594 1.00 0.00 O ATOM 1627 CB GLN A 103 109.061 8.556 9.487 1.00 0.00 C ATOM 1628 CG GLN A 103 109.186 10.051 9.217 1.00 0.00 C ATOM 1629 CD GLN A 103 109.642 10.763 10.491 1.00 0.00 C ATOM 1630 OE1 GLN A 103 110.659 10.421 11.059 1.00 0.00 O ATOM 1631 NE2 GLN A 103 108.932 11.748 10.964 1.00 0.00 N ATOM 0 H GLN A 103 109.238 6.739 11.098 1.00 0.00 H new ATOM 0 HA GLN A 103 107.688 9.258 10.985 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.999 8.165 9.881 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.858 8.022 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.901 10.228 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.228 10.453 8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 103 108.077 12.036 10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.231 12.231 11.811 1.00 0.00 H new ATOM 1640 N PHE A 104 106.600 6.561 9.504 1.00 0.00 N ATOM 1641 CA PHE A 104 105.375 5.996 8.873 1.00 0.00 C ATOM 1642 C PHE A 104 104.201 6.152 9.833 1.00 0.00 C ATOM 1643 O PHE A 104 103.108 6.516 9.448 1.00 0.00 O ATOM 1644 CB PHE A 104 105.686 4.519 8.635 1.00 0.00 C ATOM 1645 CG PHE A 104 106.165 4.337 7.212 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.378 4.902 6.803 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.391 3.603 6.301 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.820 4.736 5.485 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.832 3.436 4.980 1.00 0.00 C ATOM 1650 CZ PHE A 104 107.049 4.002 4.573 1.00 0.00 C ATOM 0 H PHE A 104 107.353 5.892 9.663 1.00 0.00 H new ATOM 0 HA PHE A 104 105.110 6.498 7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.449 4.178 9.335 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.797 3.914 8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.974 5.467 7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.455 3.166 6.617 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.756 5.174 5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.236 2.873 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.392 3.872 3.557 1.00 0.00 H new ATOM 1660 N LYS A 105 104.426 5.895 11.092 1.00 0.00 N ATOM 1661 CA LYS A 105 103.329 6.047 12.079 1.00 0.00 C ATOM 1662 C LYS A 105 102.840 7.489 12.093 1.00 0.00 C ATOM 1663 O LYS A 105 101.663 7.745 12.249 1.00 0.00 O ATOM 1664 CB LYS A 105 103.928 5.670 13.430 1.00 0.00 C ATOM 1665 CG LYS A 105 104.030 4.151 13.533 1.00 0.00 C ATOM 1666 CD LYS A 105 104.601 3.780 14.898 1.00 0.00 C ATOM 1667 CE LYS A 105 104.600 2.263 15.058 1.00 0.00 C ATOM 1668 NZ LYS A 105 105.197 2.032 16.402 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.320 5.588 11.476 1.00 0.00 H new ATOM 0 HA LYS A 105 102.473 5.417 11.837 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.914 6.120 13.541 1.00 0.00 H new ATOM 0 HB3 LYS A 105 103.307 6.059 14.237 1.00 0.00 H new ATOM 0 HG2 LYS A 105 103.047 3.698 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 105 104.669 3.762 12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 105 105.616 4.165 14.996 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.008 4.240 15.689 1.00 0.00 H new ATOM 0 HE2 LYS A 105 103.590 1.858 14.997 1.00 0.00 H new ATOM 0 HE3 LYS A 105 105.185 1.780 14.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 105.235 1.011 16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 106.160 2.425 16.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.614 2.499 17.126 1.00 0.00 H new ATOM 1682 N GLN A 106 103.716 8.442 11.899 1.00 0.00 N ATOM 1683 CA GLN A 106 103.264 9.857 11.875 1.00 0.00 C ATOM 1684 C GLN A 106 102.578 10.169 10.540 1.00 0.00 C ATOM 1685 O GLN A 106 101.795 11.092 10.443 1.00 0.00 O ATOM 1686 CB GLN A 106 104.547 10.671 12.017 1.00 0.00 C ATOM 1687 CG GLN A 106 104.206 12.158 12.012 1.00 0.00 C ATOM 1688 CD GLN A 106 105.487 12.968 12.197 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.358 12.950 11.351 1.00 0.00 O ATOM 1690 NE2 GLN A 106 105.648 13.669 13.284 1.00 0.00 N ATOM 0 H GLN A 106 104.716 8.299 11.758 1.00 0.00 H new ATOM 0 HA GLN A 106 102.543 10.080 12.662 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.058 10.407 12.943 1.00 0.00 H new ATOM 0 HB3 GLN A 106 105.230 10.440 11.199 1.00 0.00 H new ATOM 0 HG2 GLN A 106 103.723 12.429 11.073 1.00 0.00 H new ATOM 0 HG3 GLN A 106 103.500 12.384 12.811 1.00 0.00 H new ATOM 0 HE21 GLN A 106 104.916 13.684 13.994 1.00 0.00 H new ATOM 0 HE22 GLN A 106 106.506 14.203 13.424 1.00 0.00 H new ATOM 1699 N GLY A 107 102.837 9.398 9.514 1.00 0.00 N ATOM 1700 CA GLY A 107 102.164 9.659 8.207 1.00 0.00 C ATOM 1701 C GLY A 107 103.139 10.257 7.178 1.00 0.00 C ATOM 1702 O GLY A 107 102.753 10.560 6.067 1.00 0.00 O ATOM 0 H GLY A 107 103.480 8.606 9.525 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.749 8.729 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.328 10.342 8.357 1.00 0.00 H new ATOM 1706 N ASN A 108 104.393 10.418 7.514 1.00 0.00 N ATOM 1707 CA ASN A 108 105.355 10.982 6.514 1.00 0.00 C ATOM 1708 C ASN A 108 106.210 9.859 5.910 1.00 0.00 C ATOM 1709 O ASN A 108 107.242 9.485 6.435 1.00 0.00 O ATOM 1710 CB ASN A 108 106.221 11.979 7.289 1.00 0.00 C ATOM 1711 CG ASN A 108 105.406 13.243 7.583 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.426 13.515 6.919 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.771 14.032 8.557 1.00 0.00 N ATOM 0 H ASN A 108 104.791 10.188 8.424 1.00 0.00 H new ATOM 0 HA ASN A 108 104.844 11.468 5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.565 11.530 8.221 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.109 12.232 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.233 14.875 8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.594 13.805 9.116 1.00 0.00 H new ATOM 1720 N PHE A 109 105.765 9.323 4.808 1.00 0.00 N ATOM 1721 CA PHE A 109 106.499 8.210 4.129 1.00 0.00 C ATOM 1722 C PHE A 109 107.884 8.641 3.666 1.00 0.00 C ATOM 1723 O PHE A 109 108.843 7.899 3.784 1.00 0.00 O ATOM 1724 CB PHE A 109 105.633 7.889 2.900 1.00 0.00 C ATOM 1725 CG PHE A 109 104.192 7.562 3.293 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.857 7.132 4.595 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.179 7.707 2.336 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.531 6.856 4.928 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.853 7.428 2.669 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.527 7.004 3.968 1.00 0.00 C ATOM 0 H PHE A 109 104.907 9.613 4.338 1.00 0.00 H new ATOM 0 HA PHE A 109 106.648 7.364 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.640 8.739 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.064 7.045 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.632 7.016 5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.425 8.036 1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.281 6.528 5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.076 7.538 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.500 6.792 4.225 1.00 0.00 H new ATOM 1740 N LYS A 110 107.996 9.804 3.104 1.00 0.00 N ATOM 1741 CA LYS A 110 109.317 10.243 2.595 1.00 0.00 C ATOM 1742 C LYS A 110 110.355 10.363 3.722 1.00 0.00 C ATOM 1743 O LYS A 110 111.468 9.890 3.585 1.00 0.00 O ATOM 1744 CB LYS A 110 109.063 11.596 1.949 1.00 0.00 C ATOM 1745 CG LYS A 110 110.380 12.151 1.419 1.00 0.00 C ATOM 1746 CD LYS A 110 110.149 13.556 0.876 1.00 0.00 C ATOM 1747 CE LYS A 110 111.481 14.127 0.376 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.208 15.539 -0.070 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.233 10.469 2.975 1.00 0.00 H new ATOM 0 HA LYS A 110 109.730 9.519 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.343 11.496 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.630 12.284 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.125 12.173 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.771 11.504 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.423 13.530 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.734 14.196 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.231 14.109 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.873 13.530 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.613 15.689 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.181 15.700 -0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.641 16.205 0.601 1.00 0.00 H new ATOM 1762 N GLN A 111 110.027 11.006 4.813 1.00 0.00 N ATOM 1763 CA GLN A 111 111.042 11.156 5.898 1.00 0.00 C ATOM 1764 C GLN A 111 111.419 9.787 6.481 1.00 0.00 C ATOM 1765 O GLN A 111 112.572 9.534 6.770 1.00 0.00 O ATOM 1766 CB GLN A 111 110.407 12.061 6.957 1.00 0.00 C ATOM 1767 CG GLN A 111 110.296 13.490 6.422 1.00 0.00 C ATOM 1768 CD GLN A 111 111.697 14.060 6.200 1.00 0.00 C ATOM 1769 OE1 GLN A 111 112.527 14.029 7.090 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.998 14.586 5.046 1.00 0.00 N ATOM 0 H GLN A 111 109.117 11.427 4.998 1.00 0.00 H new ATOM 0 HA GLN A 111 111.967 11.593 5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.419 11.686 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 111 111.009 12.049 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 111 109.736 13.497 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.746 14.112 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 111 111.302 14.612 4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 111 112.929 14.972 4.889 1.00 0.00 H new ATOM 1779 N GLY A 112 110.474 8.898 6.655 1.00 0.00 N ATOM 1780 CA GLY A 112 110.822 7.559 7.212 1.00 0.00 C ATOM 1781 C GLY A 112 111.769 6.843 6.249 1.00 0.00 C ATOM 1782 O GLY A 112 112.802 6.337 6.642 1.00 0.00 O ATOM 0 H GLY A 112 109.488 9.040 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.293 7.670 8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.918 6.967 7.359 1.00 0.00 H new ATOM 1786 N LEU A 113 111.432 6.798 4.987 1.00 0.00 N ATOM 1787 CA LEU A 113 112.330 6.113 4.015 1.00 0.00 C ATOM 1788 C LEU A 113 113.682 6.817 3.942 1.00 0.00 C ATOM 1789 O LEU A 113 114.708 6.176 3.934 1.00 0.00 O ATOM 1790 CB LEU A 113 111.622 6.202 2.663 1.00 0.00 C ATOM 1791 CG LEU A 113 110.410 5.274 2.651 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.523 5.619 1.453 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.887 3.824 2.527 1.00 0.00 C ATOM 0 H LEU A 113 110.583 7.202 4.591 1.00 0.00 H new ATOM 0 HA LEU A 113 112.520 5.081 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.307 7.228 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.310 5.927 1.863 1.00 0.00 H new ATOM 0 HG LEU A 113 109.843 5.396 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.656 4.959 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.190 6.654 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.090 5.491 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 113 110.025 3.157 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.449 3.704 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.527 3.578 3.374 1.00 0.00 H new ATOM 1805 N VAL A 114 113.702 8.126 3.884 1.00 0.00 N ATOM 1806 CA VAL A 114 115.017 8.826 3.803 1.00 0.00 C ATOM 1807 C VAL A 114 115.808 8.614 5.091 1.00 0.00 C ATOM 1808 O VAL A 114 116.977 8.288 5.059 1.00 0.00 O ATOM 1809 CB VAL A 114 114.695 10.312 3.607 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.992 11.130 3.612 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.987 10.510 2.266 1.00 0.00 C ATOM 0 H VAL A 114 112.880 8.729 3.889 1.00 0.00 H new ATOM 0 HA VAL A 114 115.626 8.442 2.985 1.00 0.00 H new ATOM 0 HB VAL A 114 114.049 10.646 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.757 12.185 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.504 10.995 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.639 10.792 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.759 11.567 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.636 10.170 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.062 9.934 2.255 1.00 0.00 H new ATOM 1821 N ASP A 115 115.189 8.800 6.224 1.00 0.00 N ATOM 1822 CA ASP A 115 115.933 8.617 7.499 1.00 0.00 C ATOM 1823 C ASP A 115 116.367 7.161 7.640 1.00 0.00 C ATOM 1824 O ASP A 115 117.465 6.874 8.077 1.00 0.00 O ATOM 1825 CB ASP A 115 114.953 9.009 8.605 1.00 0.00 C ATOM 1826 CG ASP A 115 114.987 10.527 8.815 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.920 11.155 8.338 1.00 0.00 O ATOM 1828 OD2 ASP A 115 114.078 11.035 9.451 1.00 0.00 O1- ATOM 0 H ASP A 115 114.210 9.068 6.321 1.00 0.00 H new ATOM 0 HA ASP A 115 116.837 9.224 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 115 113.945 8.692 8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.214 8.498 9.532 1.00 0.00 H new ATOM 1833 N GLY A 116 115.525 6.238 7.272 1.00 0.00 N ATOM 1834 CA GLY A 116 115.910 4.808 7.386 1.00 0.00 C ATOM 1835 C GLY A 116 117.141 4.559 6.522 1.00 0.00 C ATOM 1836 O GLY A 116 118.071 3.888 6.924 1.00 0.00 O ATOM 0 H GLY A 116 114.592 6.412 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.121 4.556 8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.088 4.169 7.064 1.00 0.00 H new ATOM 1840 N ILE A 117 117.160 5.105 5.340 1.00 0.00 N ATOM 1841 CA ILE A 117 118.335 4.910 4.451 1.00 0.00 C ATOM 1842 C ILE A 117 119.570 5.577 5.062 1.00 0.00 C ATOM 1843 O ILE A 117 120.641 5.004 5.089 1.00 0.00 O ATOM 1844 CB ILE A 117 117.936 5.572 3.137 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.799 4.770 2.506 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.129 5.590 2.175 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.205 5.555 1.337 1.00 0.00 C ATOM 0 H ILE A 117 116.411 5.678 4.951 1.00 0.00 H new ATOM 0 HA ILE A 117 118.592 3.860 4.309 1.00 0.00 H new ATOM 0 HB ILE A 117 117.616 6.596 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.170 3.806 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.028 4.566 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.835 6.065 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 117 119.950 6.150 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.452 4.568 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.394 4.981 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.819 6.508 1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.978 5.736 0.590 1.00 0.00 H new ATOM 1859 N GLU A 118 119.439 6.782 5.561 1.00 0.00 N ATOM 1860 CA GLU A 118 120.624 7.457 6.167 1.00 0.00 C ATOM 1861 C GLU A 118 121.187 6.577 7.281 1.00 0.00 C ATOM 1862 O GLU A 118 122.365 6.283 7.318 1.00 0.00 O ATOM 1863 CB GLU A 118 120.102 8.780 6.734 1.00 0.00 C ATOM 1864 CG GLU A 118 119.686 9.710 5.591 1.00 0.00 C ATOM 1865 CD GLU A 118 119.071 10.999 6.157 1.00 0.00 C ATOM 1866 OE1 GLU A 118 118.961 11.107 7.369 1.00 0.00 O ATOM 1867 OE2 GLU A 118 118.722 11.859 5.365 1.00 0.00 O1- ATOM 0 H GLU A 118 118.573 7.320 5.574 1.00 0.00 H new ATOM 0 HA GLU A 118 121.422 7.628 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.252 8.594 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 118 120.874 9.256 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 118 120.552 9.951 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.966 9.207 4.946 1.00 0.00 H new ATOM 1874 N LYS A 119 120.348 6.135 8.178 1.00 0.00 N ATOM 1875 CA LYS A 119 120.837 5.254 9.275 1.00 0.00 C ATOM 1876 C LYS A 119 121.378 3.959 8.677 1.00 0.00 C ATOM 1877 O LYS A 119 122.419 3.469 9.069 1.00 0.00 O ATOM 1878 CB LYS A 119 119.620 4.971 10.154 1.00 0.00 C ATOM 1879 CG LYS A 119 119.190 6.254 10.865 1.00 0.00 C ATOM 1880 CD LYS A 119 118.002 5.957 11.786 1.00 0.00 C ATOM 1881 CE LYS A 119 117.594 7.240 12.518 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.496 6.839 13.445 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.350 6.345 8.199 1.00 0.00 H new ATOM 0 HA LYS A 119 121.639 5.715 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.801 4.589 9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.860 4.200 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.021 6.657 11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.915 7.013 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.163 5.574 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.270 5.184 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.436 7.663 13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.256 8.002 11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.499 7.463 14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.582 6.919 12.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.641 5.855 13.750 1.00 0.00 H new ATOM 1896 N ALA A 120 120.696 3.411 7.712 1.00 0.00 N ATOM 1897 CA ALA A 120 121.192 2.166 7.072 1.00 0.00 C ATOM 1898 C ALA A 120 122.580 2.418 6.486 1.00 0.00 C ATOM 1899 O ALA A 120 123.460 1.590 6.556 1.00 0.00 O ATOM 1900 CB ALA A 120 120.182 1.866 5.962 1.00 0.00 C ATOM 0 H ALA A 120 119.818 3.772 7.340 1.00 0.00 H new ATOM 0 HA ALA A 120 121.280 1.334 7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.477 0.957 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.192 1.729 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.156 2.698 5.259 1.00 0.00 H new ATOM 1906 N GLY A 121 122.783 3.564 5.899 1.00 0.00 N ATOM 1907 CA GLY A 121 124.112 3.864 5.303 1.00 0.00 C ATOM 1908 C GLY A 121 125.170 3.968 6.404 1.00 0.00 C ATOM 1909 O GLY A 121 126.248 3.419 6.288 1.00 0.00 O ATOM 0 H GLY A 121 122.087 4.304 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.387 3.081 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.066 4.798 4.743 1.00 0.00 H new ATOM 1913 N MET A 122 124.875 4.654 7.478 1.00 0.00 N ATOM 1914 CA MET A 122 125.880 4.765 8.577 1.00 0.00 C ATOM 1915 C MET A 122 126.091 3.402 9.242 1.00 0.00 C ATOM 1916 O MET A 122 127.211 2.972 9.471 1.00 0.00 O ATOM 1917 CB MET A 122 125.280 5.772 9.562 1.00 0.00 C ATOM 1918 CG MET A 122 125.434 7.187 8.998 1.00 0.00 C ATOM 1919 SD MET A 122 124.548 8.362 10.054 1.00 0.00 S ATOM 1920 CE MET A 122 125.560 8.159 11.538 1.00 0.00 C ATOM 0 H MET A 122 123.992 5.137 7.641 1.00 0.00 H new ATOM 0 HA MET A 122 126.857 5.088 8.217 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.227 5.549 9.731 1.00 0.00 H new ATOM 0 HB3 MET A 122 125.781 5.697 10.527 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.489 7.455 8.944 1.00 0.00 H new ATOM 0 HG3 MET A 122 125.042 7.229 7.982 1.00 0.00 H new ATOM 0 HE1 MET A 122 125.455 9.038 12.173 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.231 7.275 12.085 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.605 8.041 11.252 1.00 0.00 H new ATOM 1930 N ALA A 123 125.026 2.706 9.539 1.00 0.00 N ATOM 1931 CA ALA A 123 125.178 1.371 10.177 1.00 0.00 C ATOM 1932 C ALA A 123 125.899 0.436 9.207 1.00 0.00 C ATOM 1933 O ALA A 123 126.822 -0.263 9.574 1.00 0.00 O ATOM 1934 CB ALA A 123 123.756 0.894 10.472 1.00 0.00 C ATOM 0 H ALA A 123 124.065 3.003 9.368 1.00 0.00 H new ATOM 0 HA ALA A 123 125.768 1.399 11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.792 -0.088 10.945 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.267 1.601 11.142 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.194 0.828 9.540 1.00 0.00 H new ATOM 1940 N LEU A 124 125.506 0.441 7.962 1.00 0.00 N ATOM 1941 CA LEU A 124 126.200 -0.419 6.967 1.00 0.00 C ATOM 1942 C LEU A 124 127.658 0.034 6.843 1.00 0.00 C ATOM 1943 O LEU A 124 128.549 -0.773 6.679 1.00 0.00 O ATOM 1944 CB LEU A 124 125.439 -0.231 5.649 1.00 0.00 C ATOM 1945 CG LEU A 124 124.073 -0.916 5.750 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.228 -0.584 4.518 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.273 -2.428 5.834 1.00 0.00 C ATOM 0 H LEU A 124 124.737 1.002 7.594 1.00 0.00 H new ATOM 0 HA LEU A 124 126.212 -1.471 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.311 0.831 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.010 -0.654 4.823 1.00 0.00 H new ATOM 0 HG LEU A 124 123.558 -0.560 6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.258 -1.075 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.084 0.495 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.739 -0.934 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.303 -2.920 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.791 -2.777 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.868 -2.668 6.715 1.00 0.00 H new ATOM 1959 N ALA A 125 127.913 1.320 6.898 1.00 0.00 N ATOM 1960 CA ALA A 125 129.319 1.806 6.759 1.00 0.00 C ATOM 1961 C ALA A 125 130.225 1.135 7.790 1.00 0.00 C ATOM 1962 O ALA A 125 131.373 0.841 7.511 1.00 0.00 O ATOM 1963 CB ALA A 125 129.261 3.313 6.995 1.00 0.00 C ATOM 0 H ALA A 125 127.212 2.048 7.032 1.00 0.00 H new ATOM 0 HA ALA A 125 129.730 1.569 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.263 3.734 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.608 3.773 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.871 3.510 7.994 1.00 0.00 H new ATOM 1969 N LYS A 126 129.730 0.867 8.972 1.00 0.00 N ATOM 1970 CA LYS A 126 130.591 0.188 9.984 1.00 0.00 C ATOM 1971 C LYS A 126 131.017 -1.171 9.422 1.00 0.00 C ATOM 1972 O LYS A 126 132.160 -1.571 9.519 1.00 0.00 O ATOM 1973 CB LYS A 126 129.697 0.011 11.221 1.00 0.00 C ATOM 1974 CG LYS A 126 130.519 -0.576 12.374 1.00 0.00 C ATOM 1975 CD LYS A 126 129.635 -0.735 13.618 1.00 0.00 C ATOM 1976 CE LYS A 126 130.468 -1.316 14.768 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.533 -1.407 15.925 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.781 1.086 9.276 1.00 0.00 H new ATOM 0 HA LYS A 126 131.493 0.749 10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.274 0.971 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 126 128.861 -0.647 10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.930 -1.543 12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.364 0.075 12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.220 0.230 13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.793 -1.391 13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 126 130.868 -2.296 14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.319 -0.676 15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.036 -1.797 16.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.173 -0.459 16.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 128.736 -2.029 15.680 1.00 0.00 H new ATOM 1991 N TYR A 127 130.096 -1.869 8.816 1.00 0.00 N ATOM 1992 CA TYR A 127 130.424 -3.197 8.224 1.00 0.00 C ATOM 1993 C TYR A 127 131.233 -3.031 6.939 1.00 0.00 C ATOM 1994 O TYR A 127 132.180 -3.750 6.690 1.00 0.00 O ATOM 1995 CB TYR A 127 129.074 -3.842 7.932 1.00 0.00 C ATOM 1996 CG TYR A 127 128.470 -4.295 9.231 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.658 -3.426 9.964 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.731 -5.582 9.706 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.106 -3.844 11.177 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.180 -6.003 10.921 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.364 -5.133 11.656 1.00 0.00 C ATOM 2002 OH TYR A 127 126.818 -5.545 12.853 1.00 0.00 O ATOM 0 H TYR A 127 129.126 -1.575 8.705 1.00 0.00 H new ATOM 0 HA TYR A 127 131.032 -3.805 8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.414 -3.131 7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.197 -4.688 7.256 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.457 -2.432 9.593 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.358 -6.252 9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.480 -3.172 11.745 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.383 -6.997 11.292 1.00 0.00 H new ATOM 0 HH TYR A 127 127.095 -6.466 13.039 1.00 0.00 H new ATOM 2012 N PHE A 128 130.868 -2.080 6.128 1.00 0.00 N ATOM 2013 CA PHE A 128 131.612 -1.849 4.864 1.00 0.00 C ATOM 2014 C PHE A 128 131.988 -0.368 4.762 1.00 0.00 C ATOM 2015 O PHE A 128 131.230 0.429 4.246 1.00 0.00 O ATOM 2016 CB PHE A 128 130.663 -2.259 3.738 1.00 0.00 C ATOM 2017 CG PHE A 128 130.534 -3.763 3.724 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.551 -4.549 3.167 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.402 -4.371 4.275 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.433 -5.945 3.161 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.283 -5.766 4.269 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.300 -6.554 3.712 1.00 0.00 C ATOM 0 H PHE A 128 130.082 -1.450 6.288 1.00 0.00 H new ATOM 0 HA PHE A 128 132.537 -2.423 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.686 -1.799 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.042 -1.905 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.426 -4.079 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.619 -3.764 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.217 -6.551 2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.408 -6.235 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.209 -7.630 3.708 1.00 0.00 H new ATOM 2032 N PRO A 129 133.166 -0.042 5.258 1.00 0.00 N ATOM 2033 CA PRO A 129 133.644 1.361 5.210 1.00 0.00 C ATOM 2034 C PRO A 129 133.863 1.788 3.759 1.00 0.00 C ATOM 2035 O PRO A 129 134.118 0.976 2.893 1.00 0.00 O ATOM 2036 CB PRO A 129 134.958 1.322 5.991 1.00 0.00 C ATOM 2037 CG PRO A 129 135.415 -0.095 5.893 1.00 0.00 C ATOM 2038 CD PRO A 129 134.166 -0.928 5.891 1.00 0.00 C ATOM 0 HA PRO A 129 132.939 2.078 5.631 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.692 2.005 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.811 1.620 7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 129 135.995 -0.257 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.059 -0.357 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.299 -1.851 5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 129 133.870 -1.211 6.901 1.00 0.00 H new ATOM 2046 N TRP A 130 133.742 3.059 3.490 1.00 0.00 N ATOM 2047 CA TRP A 130 133.916 3.557 2.096 1.00 0.00 C ATOM 2048 C TRP A 130 135.385 3.687 1.717 1.00 0.00 C ATOM 2049 O TRP A 130 136.198 4.163 2.484 1.00 0.00 O ATOM 2050 CB TRP A 130 133.304 4.951 2.089 1.00 0.00 C ATOM 2051 CG TRP A 130 133.205 5.408 0.676 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.324 4.937 -0.231 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.009 6.407 -0.011 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.529 5.590 -1.433 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.558 6.507 -1.348 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.070 7.235 0.397 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.145 7.389 -2.252 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.663 8.125 -0.510 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.199 8.204 -1.831 1.00 0.00 C ATOM 0 H TRP A 130 133.529 3.779 4.181 1.00 0.00 H new ATOM 0 HA TRP A 130 133.454 2.867 1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.318 4.936 2.554 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.919 5.639 2.669 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.581 4.175 -0.048 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.986 5.416 -2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.430 7.185 1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.788 7.443 -3.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.481 8.753 -0.190 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.657 8.895 -2.523 1.00 0.00 H new ATOM 2070 N LYS A 131 135.714 3.319 0.516 1.00 0.00 N ATOM 2071 CA LYS A 131 137.113 3.470 0.051 1.00 0.00 C ATOM 2072 C LYS A 131 137.124 4.374 -1.178 1.00 0.00 C ATOM 2073 O LYS A 131 136.130 4.521 -1.861 1.00 0.00 O ATOM 2074 CB LYS A 131 137.601 2.066 -0.290 1.00 0.00 C ATOM 2075 CG LYS A 131 137.575 1.203 0.967 1.00 0.00 C ATOM 2076 CD LYS A 131 138.598 1.739 1.971 1.00 0.00 C ATOM 2077 CE LYS A 131 138.574 0.877 3.231 1.00 0.00 C ATOM 2078 NZ LYS A 131 139.592 1.492 4.126 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.071 2.918 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 131 137.761 3.922 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.968 1.626 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.612 2.109 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 131 136.578 1.212 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 131 137.804 0.167 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 131 139.595 1.730 1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.369 2.775 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 131 137.587 0.878 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 131 138.819 -0.161 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 139.639 0.958 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 140.522 1.471 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.328 2.478 4.327 1.00 0.00 H new ATOM 2092 N LYS A 132 138.220 5.015 -1.438 1.00 0.00 N ATOM 2093 CA LYS A 132 138.272 5.948 -2.594 1.00 0.00 C ATOM 2094 C LYS A 132 138.013 5.215 -3.907 1.00 0.00 C ATOM 2095 O LYS A 132 137.409 5.762 -4.812 1.00 0.00 O ATOM 2096 CB LYS A 132 139.678 6.533 -2.569 1.00 0.00 C ATOM 2097 CG LYS A 132 139.775 7.640 -3.613 1.00 0.00 C ATOM 2098 CD LYS A 132 141.161 8.280 -3.557 1.00 0.00 C ATOM 2099 CE LYS A 132 141.230 9.411 -4.583 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.594 9.987 -4.438 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.084 4.936 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 132 137.506 6.720 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 132 139.903 6.929 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 132 140.413 5.755 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.592 7.233 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.008 8.393 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.357 8.667 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.928 7.535 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 132 141.066 9.036 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 132 140.463 10.162 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.714 10.770 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 142.720 10.342 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.304 9.252 -4.632 1.00 0.00 H new ATOM 2114 N ASP A 133 138.455 3.990 -4.030 1.00 0.00 N ATOM 2115 CA ASP A 133 138.205 3.262 -5.302 1.00 0.00 C ATOM 2116 C ASP A 133 136.842 2.557 -5.264 1.00 0.00 C ATOM 2117 O ASP A 133 136.508 1.808 -6.164 1.00 0.00 O ATOM 2118 CB ASP A 133 139.348 2.258 -5.458 1.00 0.00 C ATOM 2119 CG ASP A 133 140.673 3.001 -5.677 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.641 4.211 -5.845 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.701 2.343 -5.680 1.00 0.00 O1- ATOM 0 H ASP A 133 138.969 3.473 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 133 138.175 3.945 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 133 139.416 1.631 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 133 139.149 1.596 -6.301 1.00 0.00 H new ATOM 2126 N ASP A 134 136.045 2.785 -4.224 1.00 0.00 N ATOM 2127 CA ASP A 134 134.691 2.138 -4.111 1.00 0.00 C ATOM 2128 C ASP A 134 133.964 2.141 -5.458 1.00 0.00 C ATOM 2129 O ASP A 134 134.018 3.102 -6.203 1.00 0.00 O ATOM 2130 CB ASP A 134 133.929 3.028 -3.124 1.00 0.00 C ATOM 2131 CG ASP A 134 132.555 2.418 -2.821 1.00 0.00 C ATOM 2132 OD1 ASP A 134 132.202 1.428 -3.453 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.874 2.946 -1.956 1.00 0.00 O ATOM 0 H ASP A 134 136.285 3.399 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 134 134.766 1.098 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.500 3.134 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.808 4.028 -3.541 1.00 0.00 H new ATOM 2138 N ILE A 135 133.324 1.057 -5.785 1.00 0.00 N ATOM 2139 CA ILE A 135 132.630 0.980 -7.104 1.00 0.00 C ATOM 2140 C ILE A 135 131.099 0.971 -6.952 1.00 0.00 C ATOM 2141 O ILE A 135 130.541 0.362 -6.062 1.00 0.00 O ATOM 2142 CB ILE A 135 133.138 -0.324 -7.806 1.00 0.00 C ATOM 2143 CG1 ILE A 135 133.357 -1.496 -6.815 1.00 0.00 C ATOM 2144 CG2 ILE A 135 134.471 -0.044 -8.505 1.00 0.00 C ATOM 2145 CD1 ILE A 135 132.065 -1.818 -6.058 1.00 0.00 C ATOM 0 H ILE A 135 133.249 0.223 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 135 132.860 1.862 -7.702 1.00 0.00 H new ATOM 0 HB ILE A 135 132.364 -0.616 -8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.695 -2.379 -7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 135 134.144 -1.237 -6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.824 -0.952 -8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.333 0.739 -9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 135 135.206 0.281 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 135 132.243 -2.643 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.743 -0.940 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.288 -2.100 -6.768 1.00 0.00 H new ATOM 2157 N ASP A 136 130.411 1.658 -7.825 1.00 0.00 N ATOM 2158 CA ASP A 136 128.922 1.692 -7.756 1.00 0.00 C ATOM 2159 C ASP A 136 128.338 1.117 -9.049 1.00 0.00 C ATOM 2160 O ASP A 136 128.332 1.787 -10.064 1.00 0.00 O ATOM 2161 CB ASP A 136 128.570 3.174 -7.627 1.00 0.00 C ATOM 2162 CG ASP A 136 127.061 3.323 -7.429 1.00 0.00 C ATOM 2163 OD1 ASP A 136 126.342 2.405 -7.790 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 126.651 4.351 -6.918 1.00 0.00 O ATOM 0 H ASP A 136 130.819 2.200 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 136 128.525 1.105 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 136 129.104 3.614 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.886 3.713 -8.520 1.00 0.00 H new ATOM 2169 N GLU A 137 127.868 -0.110 -9.051 1.00 0.00 N ATOM 2170 CA GLU A 137 127.326 -0.674 -10.329 1.00 0.00 C ATOM 2171 C GLU A 137 125.795 -0.609 -10.372 1.00 0.00 C ATOM 2172 O GLU A 137 125.182 -1.043 -11.328 1.00 0.00 O ATOM 2173 CB GLU A 137 127.831 -2.116 -10.390 1.00 0.00 C ATOM 2174 CG GLU A 137 129.362 -2.116 -10.363 1.00 0.00 C ATOM 2175 CD GLU A 137 129.905 -1.472 -11.641 1.00 0.00 C ATOM 2176 OE1 GLU A 137 129.167 -1.413 -12.611 1.00 0.00 O ATOM 2177 OE2 GLU A 137 131.047 -1.045 -11.625 1.00 0.00 O1- ATOM 0 H GLU A 137 127.836 -0.732 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 137 127.663 -0.098 -11.191 1.00 0.00 H new ATOM 0 HB2 GLU A 137 127.441 -2.686 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 137 127.472 -2.602 -11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 137 129.719 -1.570 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.733 -3.137 -10.274 1.00 0.00 H new ATOM 2184 N LEU A 138 125.163 -0.084 -9.354 1.00 0.00 N ATOM 2185 CA LEU A 138 123.675 -0.018 -9.367 1.00 0.00 C ATOM 2186 C LEU A 138 123.179 1.428 -9.510 1.00 0.00 C ATOM 2187 O LEU A 138 123.840 2.354 -9.084 1.00 0.00 O ATOM 2188 CB LEU A 138 123.240 -0.605 -8.021 1.00 0.00 C ATOM 2189 CG LEU A 138 122.709 -2.042 -8.200 1.00 0.00 C ATOM 2190 CD1 LEU A 138 123.709 -2.897 -8.991 1.00 0.00 C ATOM 2191 CD2 LEU A 138 122.502 -2.663 -6.820 1.00 0.00 C ATOM 0 H LEU A 138 125.611 0.299 -8.521 1.00 0.00 H new ATOM 0 HA LEU A 138 123.258 -0.565 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 138 124.083 -0.607 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 138 122.466 0.022 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 138 121.769 -2.007 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 138 123.314 -3.906 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 138 123.867 -2.455 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 138 124.657 -2.937 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 138 122.126 -3.680 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 138 123.451 -2.683 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 138 121.781 -2.069 -6.258 1.00 0.00 H new ATOM 2203 N PRO A 139 122.007 1.577 -10.104 1.00 0.00 N ATOM 2204 CA PRO A 139 121.425 2.921 -10.285 1.00 0.00 C ATOM 2205 C PRO A 139 120.891 3.422 -8.944 1.00 0.00 C ATOM 2206 O PRO A 139 120.819 2.680 -7.984 1.00 0.00 O ATOM 2207 CB PRO A 139 120.291 2.702 -11.283 1.00 0.00 C ATOM 2208 CG PRO A 139 119.899 1.272 -11.114 1.00 0.00 C ATOM 2209 CD PRO A 139 121.126 0.527 -10.648 1.00 0.00 C ATOM 0 HA PRO A 139 122.139 3.664 -10.640 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.452 3.368 -11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.618 2.904 -12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.092 1.177 -10.388 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.532 0.860 -12.054 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.876 -0.215 -9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.604 -0.006 -11.470 1.00 0.00 H new ATOM 2217 N ASN A 140 120.509 4.662 -8.859 1.00 0.00 N ATOM 2218 CA ASN A 140 119.973 5.187 -7.573 1.00 0.00 C ATOM 2219 C ASN A 140 118.477 5.543 -7.712 1.00 0.00 C ATOM 2220 O ASN A 140 117.877 6.089 -6.806 1.00 0.00 O ATOM 2221 CB ASN A 140 120.803 6.448 -7.320 1.00 0.00 C ATOM 2222 CG ASN A 140 122.283 6.072 -7.192 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.642 5.228 -6.394 1.00 0.00 O ATOM 2224 ND2 ASN A 140 123.163 6.663 -7.957 1.00 0.00 N ATOM 0 H ASN A 140 120.544 5.336 -9.623 1.00 0.00 H new ATOM 0 HA ASN A 140 120.042 4.464 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.667 7.156 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 140 120.463 6.943 -6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 140 124.150 6.416 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.863 7.371 -8.627 1.00 0.00 H new ATOM 2231 N THR A 141 117.872 5.260 -8.847 1.00 0.00 N ATOM 2232 CA THR A 141 116.432 5.609 -9.052 1.00 0.00 C ATOM 2233 C THR A 141 115.510 4.768 -8.164 1.00 0.00 C ATOM 2234 O THR A 141 115.910 3.776 -7.589 1.00 0.00 O ATOM 2235 CB THR A 141 116.169 5.280 -10.522 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.606 3.956 -10.794 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.936 6.262 -11.408 1.00 0.00 C ATOM 0 H THR A 141 118.319 4.801 -9.640 1.00 0.00 H new ATOM 0 HA THR A 141 116.235 6.650 -8.797 1.00 0.00 H new ATOM 0 HB THR A 141 115.102 5.361 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.437 3.743 -11.735 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.749 6.029 -12.456 1.00 0.00 H new ATOM 0 HG22 THR A 141 116.603 7.278 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 141 118.003 6.180 -11.203 1.00 0.00 H new ATOM 2245 N ILE A 142 114.269 5.171 -8.055 1.00 0.00 N ATOM 2246 CA ILE A 142 113.302 4.413 -7.209 1.00 0.00 C ATOM 2247 C ILE A 142 112.633 3.289 -8.014 1.00 0.00 C ATOM 2248 O ILE A 142 112.219 3.470 -9.143 1.00 0.00 O ATOM 2249 CB ILE A 142 112.255 5.442 -6.754 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.924 6.498 -5.867 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.163 4.730 -5.948 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.960 7.664 -5.629 1.00 0.00 C ATOM 0 H ILE A 142 113.884 5.995 -8.517 1.00 0.00 H new ATOM 0 HA ILE A 142 113.800 3.939 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 142 111.817 5.923 -7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.215 6.055 -4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.836 6.860 -6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.418 5.457 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.685 3.974 -6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.608 4.252 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.441 8.411 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.691 8.115 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.060 7.297 -5.135 1.00 0.00 H new ATOM 2264 N SER A 143 112.493 2.140 -7.413 1.00 0.00 N ATOM 2265 CA SER A 143 111.814 1.004 -8.094 1.00 0.00 C ATOM 2266 C SER A 143 110.310 1.084 -7.804 1.00 0.00 C ATOM 2267 O SER A 143 109.895 1.304 -6.685 1.00 0.00 O ATOM 2268 CB SER A 143 112.431 -0.250 -7.469 1.00 0.00 C ATOM 2269 OG SER A 143 113.675 -0.525 -8.102 1.00 0.00 O ATOM 0 H SER A 143 112.824 1.939 -6.469 1.00 0.00 H new ATOM 0 HA SER A 143 111.939 1.008 -9.177 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.579 -0.103 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.756 -1.098 -7.584 1.00 0.00 H new ATOM 0 HG SER A 143 114.363 -0.675 -7.420 1.00 0.00 H new ATOM 2275 N LYS A 144 109.487 0.937 -8.805 1.00 0.00 N ATOM 2276 CA LYS A 144 108.015 1.031 -8.573 1.00 0.00 C ATOM 2277 C LYS A 144 107.287 -0.188 -9.149 1.00 0.00 C ATOM 2278 O LYS A 144 107.714 -0.776 -10.122 1.00 0.00 O ATOM 2279 CB LYS A 144 107.599 2.304 -9.300 1.00 0.00 C ATOM 2280 CG LYS A 144 108.244 3.504 -8.611 1.00 0.00 C ATOM 2281 CD LYS A 144 107.875 4.778 -9.363 1.00 0.00 C ATOM 2282 CE LYS A 144 108.514 5.980 -8.669 1.00 0.00 C ATOM 2283 NZ LYS A 144 108.169 7.148 -9.528 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.766 0.757 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 144 107.765 1.055 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.908 2.259 -10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 144 106.514 2.404 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.906 3.568 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 144 109.327 3.384 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 144 108.218 4.716 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.792 4.895 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 144 108.126 6.105 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 144 109.594 5.858 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 108.574 8.013 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 108.557 7.004 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 107.135 7.243 -9.586 1.00 0.00 H new ATOM 2297 N GLY A 145 106.193 -0.576 -8.544 1.00 0.00 N ATOM 2298 CA GLY A 145 105.433 -1.763 -9.042 1.00 0.00 C ATOM 2299 C GLY A 145 105.035 -1.555 -10.501 1.00 0.00 C ATOM 2300 O GLY A 145 104.082 -0.831 -10.738 1.00 0.00 O ATOM 2301 OXT GLY A 145 105.685 -2.129 -11.357 1.00 0.00 O ATOM 0 H GLY A 145 105.792 -0.121 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 145 106.043 -2.661 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.543 -1.917 -8.432 1.00 0.00 H new