USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 632 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 61 TYR OH : rot -158:sc= 0.736 USER MOD Set 1.2: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 62 GLN : amide:sc= 1.03 K(o=2.2,f=-2.7) USER MOD Single : A 9 MET CE :methyl 170:sc= 0 (180deg=-0.101) USER MOD Single : A 10 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 11 GLN : amide:sc= -0.167 K(o=-0.17,f=-2) USER MOD Single : A 13 SER OG : rot 90:sc= 1.23 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 15 ASN : amide:sc= 0.635 K(o=0.64,f=0) USER MOD Single : A 21 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 24 MET CE :methyl 160:sc= 0 (180deg=-0.281) USER MOD Single : A 27 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.32) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0201 K(o=-0.02,f=-0.88) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0142) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.2 K(o=0.2,f=-1.8) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -67:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -73:sc= 1.26 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0319) USER MOD Single : A 67 SER OG : rot 79:sc= 1.23 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 84:sc= 0.0477 USER MOD Single : A 75 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0234) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 75:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 7 15.259 4.261 13.878 1.00 0.00 N ATOM 94 CA ILE A 7 14.827 3.165 13.023 1.00 0.00 C ATOM 95 C ILE A 7 15.318 3.394 11.574 1.00 0.00 C ATOM 96 O ILE A 7 15.180 4.511 11.052 1.00 0.00 O ATOM 97 CB ILE A 7 13.292 3.045 13.220 1.00 0.00 C ATOM 98 CG1 ILE A 7 12.788 1.614 12.993 1.00 0.00 C ATOM 99 CG2 ILE A 7 12.463 4.108 12.476 1.00 0.00 C ATOM 100 CD1 ILE A 7 12.632 1.215 11.525 1.00 0.00 C ATOM 0 HA ILE A 7 15.265 2.202 13.283 1.00 0.00 H new ATOM 0 HB ILE A 7 13.123 3.274 14.272 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.479 0.920 13.472 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.825 1.500 13.490 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.403 3.946 12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.748 5.101 12.824 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.650 4.031 11.405 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.271 0.188 11.463 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.917 1.880 11.041 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.596 1.292 11.023 1.00 0.00 H new ATOM 112 N PRO A 8 15.958 2.399 10.926 1.00 0.00 N ATOM 113 CA PRO A 8 16.553 2.581 9.605 1.00 0.00 C ATOM 114 C PRO A 8 15.550 2.976 8.516 1.00 0.00 C ATOM 115 O PRO A 8 14.459 2.409 8.415 1.00 0.00 O ATOM 116 CB PRO A 8 17.266 1.275 9.267 1.00 0.00 C ATOM 117 CG PRO A 8 17.569 0.682 10.638 1.00 0.00 C ATOM 118 CD PRO A 8 16.383 1.120 11.480 1.00 0.00 C ATOM 0 HA PRO A 8 17.245 3.422 9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.636 0.614 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.176 1.449 8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.653 -0.404 10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.509 1.060 11.040 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.578 0.386 11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.663 1.221 12.529 1.00 0.00 H new ATOM 126 N MET A 9 15.950 3.899 7.638 1.00 0.00 N ATOM 127 CA MET A 9 15.117 4.339 6.510 1.00 0.00 C ATOM 128 C MET A 9 14.859 3.196 5.520 1.00 0.00 C ATOM 129 O MET A 9 13.791 3.127 4.914 1.00 0.00 O ATOM 130 CB MET A 9 15.748 5.562 5.825 1.00 0.00 C ATOM 131 CG MET A 9 17.034 5.245 5.045 1.00 0.00 C ATOM 132 SD MET A 9 17.882 6.687 4.354 1.00 0.00 S ATOM 133 CE MET A 9 18.562 7.407 5.872 1.00 0.00 C ATOM 0 H MET A 9 16.857 4.363 7.686 1.00 0.00 H new ATOM 0 HA MET A 9 14.144 4.638 6.899 1.00 0.00 H new ATOM 0 HB2 MET A 9 15.020 6.000 5.143 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.970 6.315 6.581 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.723 4.719 5.707 1.00 0.00 H new ATOM 0 HG3 MET A 9 16.789 4.562 4.232 1.00 0.00 H new ATOM 0 HE1 MET A 9 19.262 8.203 5.616 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.752 7.817 6.475 1.00 0.00 H new ATOM 0 HE3 MET A 9 19.082 6.635 6.439 1.00 0.00 H new ATOM 143 N HIS A 10 15.804 2.257 5.404 1.00 0.00 N ATOM 144 CA HIS A 10 15.682 1.049 4.586 1.00 0.00 C ATOM 145 C HIS A 10 14.597 0.114 5.139 1.00 0.00 C ATOM 146 O HIS A 10 13.782 -0.394 4.378 1.00 0.00 O ATOM 147 CB HIS A 10 17.039 0.337 4.500 1.00 0.00 C ATOM 148 CG HIS A 10 18.229 1.265 4.509 1.00 0.00 C ATOM 149 ND1 HIS A 10 19.151 1.359 5.523 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.540 2.231 3.590 1.00 0.00 C ATOM 151 CE1 HIS A 10 20.004 2.349 5.229 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.681 2.908 4.049 1.00 0.00 N ATOM 0 H HIS A 10 16.698 2.319 5.890 1.00 0.00 H new ATOM 0 HA HIS A 10 15.378 1.338 3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.127 -0.355 5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.066 -0.260 3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.003 2.436 2.675 1.00 0.00 H new ATOM 0 HE1 HIS A 10 20.833 2.655 5.851 1.00 0.00 H new ATOM 0 HE2 HIS A 10 20.168 3.672 3.581 1.00 0.00 H new ATOM 160 N GLN A 11 14.510 -0.046 6.465 1.00 0.00 N ATOM 161 CA GLN A 11 13.526 -0.923 7.109 1.00 0.00 C ATOM 162 C GLN A 11 12.092 -0.403 6.909 1.00 0.00 C ATOM 163 O GLN A 11 11.194 -1.165 6.531 1.00 0.00 O ATOM 164 CB GLN A 11 13.916 -1.063 8.594 1.00 0.00 C ATOM 165 CG GLN A 11 13.361 -2.300 9.318 1.00 0.00 C ATOM 166 CD GLN A 11 11.894 -2.256 9.741 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.177 -1.276 9.604 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.403 -3.336 10.306 1.00 0.00 N ATOM 0 H GLN A 11 15.124 0.432 7.125 1.00 0.00 H new ATOM 0 HA GLN A 11 13.536 -1.911 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.004 -1.082 8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.578 -0.173 9.124 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.500 -3.164 8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.965 -2.471 10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.991 -4.161 10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.434 -3.350 10.624 1.00 0.00 H new ATOM 177 N ARG A 12 11.892 0.918 7.041 1.00 0.00 N ATOM 178 CA ARG A 12 10.634 1.574 6.648 1.00 0.00 C ATOM 179 C ARG A 12 10.371 1.402 5.151 1.00 0.00 C ATOM 180 O ARG A 12 9.287 0.969 4.777 1.00 0.00 O ATOM 181 CB ARG A 12 10.633 3.063 7.050 1.00 0.00 C ATOM 182 CG ARG A 12 10.768 3.270 8.569 1.00 0.00 C ATOM 183 CD ARG A 12 10.407 4.697 9.012 1.00 0.00 C ATOM 184 NE ARG A 12 11.397 5.716 8.614 1.00 0.00 N ATOM 185 CZ ARG A 12 11.143 6.915 8.112 1.00 0.00 C ATOM 186 NH1 ARG A 12 9.976 7.307 7.691 1.00 0.00 N ATOM 187 NH2 ARG A 12 12.116 7.768 8.029 1.00 0.00 N ATOM 0 H ARG A 12 12.591 1.557 7.420 1.00 0.00 H new ATOM 0 HA ARG A 12 9.820 1.088 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.454 3.572 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.709 3.527 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.123 2.560 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.792 3.049 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.437 4.963 8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.299 4.714 10.097 1.00 0.00 H new ATOM 0 HE ARG A 12 12.379 5.472 8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.178 6.673 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.859 8.248 7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.050 7.509 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.947 8.698 7.646 1.00 0.00 H new ATOM 201 N SER A 13 11.373 1.633 4.301 1.00 0.00 N ATOM 202 CA SER A 13 11.248 1.497 2.840 1.00 0.00 C ATOM 203 C SER A 13 10.881 0.073 2.393 1.00 0.00 C ATOM 204 O SER A 13 10.079 -0.074 1.471 1.00 0.00 O ATOM 205 CB SER A 13 12.534 1.953 2.139 1.00 0.00 C ATOM 206 OG SER A 13 12.795 3.313 2.440 1.00 0.00 O ATOM 0 H SER A 13 12.303 1.922 4.605 1.00 0.00 H new ATOM 0 HA SER A 13 10.422 2.145 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.372 1.334 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.436 1.823 1.061 1.00 0.00 H new ATOM 0 HG SER A 13 13.341 3.369 3.252 1.00 0.00 H new ATOM 212 N GLN A 14 11.368 -0.976 3.069 1.00 0.00 N ATOM 213 CA GLN A 14 10.962 -2.365 2.810 1.00 0.00 C ATOM 214 C GLN A 14 9.491 -2.625 3.166 1.00 0.00 C ATOM 215 O GLN A 14 8.812 -3.363 2.447 1.00 0.00 O ATOM 216 CB GLN A 14 11.858 -3.324 3.585 1.00 0.00 C ATOM 217 CG GLN A 14 13.293 -3.441 3.053 1.00 0.00 C ATOM 218 CD GLN A 14 14.154 -4.270 4.000 1.00 0.00 C ATOM 219 OE1 GLN A 14 14.317 -3.961 5.176 1.00 0.00 O ATOM 220 NE2 GLN A 14 14.686 -5.384 3.563 1.00 0.00 N ATOM 0 H GLN A 14 12.058 -0.885 3.815 1.00 0.00 H new ATOM 0 HA GLN A 14 11.072 -2.536 1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.897 -3.001 4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.401 -4.313 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.283 -3.902 2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.725 -2.447 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.563 -5.660 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.223 -5.976 4.197 1.00 0.00 H new ATOM 229 N ASN A 15 8.979 -1.995 4.231 1.00 0.00 N ATOM 230 CA ASN A 15 7.563 -2.060 4.605 1.00 0.00 C ATOM 231 C ASN A 15 6.671 -1.258 3.638 1.00 0.00 C ATOM 232 O ASN A 15 5.608 -1.736 3.240 1.00 0.00 O ATOM 233 CB ASN A 15 7.389 -1.634 6.072 1.00 0.00 C ATOM 234 CG ASN A 15 7.754 -2.763 7.016 1.00 0.00 C ATOM 235 OD1 ASN A 15 6.952 -3.654 7.275 1.00 0.00 O ATOM 236 ND2 ASN A 15 8.966 -2.813 7.512 1.00 0.00 N ATOM 0 H ASN A 15 9.541 -1.422 4.861 1.00 0.00 H new ATOM 0 HA ASN A 15 7.227 -3.093 4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.016 -0.766 6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.357 -1.330 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.240 -3.591 8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.635 -2.074 7.298 1.00 0.00 H new ATOM 243 N VAL A 16 7.134 -0.092 3.175 1.00 0.00 N ATOM 244 CA VAL A 16 6.472 0.687 2.113 1.00 0.00 C ATOM 245 C VAL A 16 6.416 -0.111 0.812 1.00 0.00 C ATOM 246 O VAL A 16 5.367 -0.144 0.183 1.00 0.00 O ATOM 247 CB VAL A 16 7.192 2.027 1.873 1.00 0.00 C ATOM 248 CG1 VAL A 16 6.583 2.836 0.722 1.00 0.00 C ATOM 249 CG2 VAL A 16 7.115 2.923 3.106 1.00 0.00 C ATOM 0 H VAL A 16 7.986 0.345 3.527 1.00 0.00 H new ATOM 0 HA VAL A 16 5.455 0.896 2.445 1.00 0.00 H new ATOM 0 HB VAL A 16 8.219 1.752 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.133 3.769 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.643 2.258 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.539 3.057 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.632 3.862 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.071 3.127 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.587 2.421 3.951 1.00 0.00 H new ATOM 259 N ALA A 17 7.493 -0.795 0.417 1.00 0.00 N ATOM 260 CA ALA A 17 7.519 -1.590 -0.812 1.00 0.00 C ATOM 261 C ALA A 17 6.563 -2.803 -0.755 1.00 0.00 C ATOM 262 O ALA A 17 5.920 -3.147 -1.752 1.00 0.00 O ATOM 263 CB ALA A 17 8.968 -2.026 -1.073 1.00 0.00 C ATOM 0 H ALA A 17 8.369 -0.813 0.939 1.00 0.00 H new ATOM 0 HA ALA A 17 7.160 -0.976 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.010 -2.621 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.599 -1.144 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.325 -2.623 -0.234 1.00 0.00 H new ATOM 269 N GLU A 18 6.428 -3.420 0.424 1.00 0.00 N ATOM 270 CA GLU A 18 5.486 -4.508 0.705 1.00 0.00 C ATOM 271 C GLU A 18 4.023 -4.033 0.585 1.00 0.00 C ATOM 272 O GLU A 18 3.219 -4.677 -0.099 1.00 0.00 O ATOM 273 CB GLU A 18 5.830 -5.059 2.103 1.00 0.00 C ATOM 274 CG GLU A 18 5.048 -6.315 2.489 1.00 0.00 C ATOM 275 CD GLU A 18 5.417 -6.829 3.891 1.00 0.00 C ATOM 276 OE1 GLU A 18 6.606 -6.799 4.286 1.00 0.00 O ATOM 277 OE2 GLU A 18 4.513 -7.334 4.598 1.00 0.00 O ATOM 0 H GLU A 18 6.991 -3.167 1.236 1.00 0.00 H new ATOM 0 HA GLU A 18 5.581 -5.307 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.896 -5.282 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.639 -4.283 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.980 -6.100 2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.240 -7.098 1.756 1.00 0.00 H new ATOM 284 N LEU A 19 3.709 -2.866 1.166 1.00 0.00 N ATOM 285 CA LEU A 19 2.429 -2.155 1.038 1.00 0.00 C ATOM 286 C LEU A 19 2.121 -1.767 -0.422 1.00 0.00 C ATOM 287 O LEU A 19 1.057 -2.108 -0.941 1.00 0.00 O ATOM 288 CB LEU A 19 2.483 -0.931 1.959 1.00 0.00 C ATOM 289 CG LEU A 19 1.160 -0.141 1.958 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.778 0.197 3.384 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.280 1.170 1.191 1.00 0.00 C ATOM 0 H LEU A 19 4.370 -2.370 1.764 1.00 0.00 H new ATOM 0 HA LEU A 19 1.611 -2.811 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.711 -1.253 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.295 -0.276 1.643 1.00 0.00 H new ATOM 0 HG LEU A 19 0.409 -0.767 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.158 0.756 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.653 -0.723 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.563 0.802 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.325 1.695 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.048 1.792 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.553 0.963 0.156 1.00 0.00 H new ATOM 303 N LEU A 20 3.060 -1.091 -1.097 1.00 0.00 N ATOM 304 CA LEU A 20 2.944 -0.610 -2.479 1.00 0.00 C ATOM 305 C LEU A 20 2.588 -1.774 -3.414 1.00 0.00 C ATOM 306 O LEU A 20 1.626 -1.701 -4.174 1.00 0.00 O ATOM 307 CB LEU A 20 4.275 0.058 -2.883 1.00 0.00 C ATOM 308 CG LEU A 20 4.327 0.978 -4.120 1.00 0.00 C ATOM 309 CD1 LEU A 20 2.972 1.336 -4.704 1.00 0.00 C ATOM 310 CD2 LEU A 20 4.999 2.289 -3.729 1.00 0.00 C ATOM 0 H LEU A 20 3.959 -0.855 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 20 2.144 0.126 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.618 0.642 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.004 -0.737 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 20 4.873 0.416 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.109 1.985 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.456 0.426 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.377 1.854 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.042 2.949 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.426 2.769 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.010 2.088 -3.376 1.00 0.00 H new ATOM 322 N THR A 21 3.311 -2.890 -3.298 1.00 0.00 N ATOM 323 CA THR A 21 3.104 -4.082 -4.134 1.00 0.00 C ATOM 324 C THR A 21 1.723 -4.720 -3.917 1.00 0.00 C ATOM 325 O THR A 21 1.135 -5.235 -4.871 1.00 0.00 O ATOM 326 CB THR A 21 4.234 -5.097 -3.897 1.00 0.00 C ATOM 327 OG1 THR A 21 5.487 -4.482 -4.125 1.00 0.00 O ATOM 328 CG2 THR A 21 4.150 -6.293 -4.841 1.00 0.00 C ATOM 0 H THR A 21 4.063 -2.996 -2.617 1.00 0.00 H new ATOM 0 HA THR A 21 3.132 -3.763 -5.176 1.00 0.00 H new ATOM 0 HB THR A 21 4.128 -5.440 -2.868 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.748 -3.967 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.970 -6.980 -4.632 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.200 -6.807 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.219 -5.948 -5.873 1.00 0.00 H new ATOM 336 N VAL A 22 1.146 -4.637 -2.712 1.00 0.00 N ATOM 337 CA VAL A 22 -0.231 -5.094 -2.453 1.00 0.00 C ATOM 338 C VAL A 22 -1.270 -4.145 -3.066 1.00 0.00 C ATOM 339 O VAL A 22 -2.225 -4.628 -3.673 1.00 0.00 O ATOM 340 CB VAL A 22 -0.449 -5.298 -0.934 1.00 0.00 C ATOM 341 CG1 VAL A 22 -1.913 -5.284 -0.480 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.150 -6.633 -0.480 1.00 0.00 C ATOM 0 H VAL A 22 1.615 -4.254 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.372 -6.057 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 22 0.047 -4.441 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.961 -5.435 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.363 -4.324 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.457 -6.083 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.013 -6.759 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.331 -7.449 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.220 -6.641 -0.688 1.00 0.00 H new ATOM 352 N LEU A 23 -1.081 -2.820 -2.991 1.00 0.00 N ATOM 353 CA LEU A 23 -1.965 -1.858 -3.679 1.00 0.00 C ATOM 354 C LEU A 23 -1.896 -2.023 -5.210 1.00 0.00 C ATOM 355 O LEU A 23 -2.912 -1.959 -5.905 1.00 0.00 O ATOM 356 CB LEU A 23 -1.602 -0.408 -3.294 1.00 0.00 C ATOM 357 CG LEU A 23 -1.669 -0.006 -1.818 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.357 1.485 -1.664 1.00 0.00 C ATOM 359 CD2 LEU A 23 -3.062 -0.280 -1.304 1.00 0.00 C ATOM 0 H LEU A 23 -0.325 -2.386 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.985 -2.068 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.588 -0.216 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.263 0.258 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.937 -0.581 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.407 1.760 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.356 1.689 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.085 2.069 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.124 0.002 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.783 0.301 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.286 -1.342 -1.409 1.00 0.00 H new ATOM 371 N MET A 24 -0.705 -2.320 -5.730 1.00 0.00 N ATOM 372 CA MET A 24 -0.467 -2.696 -7.127 1.00 0.00 C ATOM 373 C MET A 24 -1.206 -3.982 -7.537 1.00 0.00 C ATOM 374 O MET A 24 -1.501 -4.152 -8.720 1.00 0.00 O ATOM 375 CB MET A 24 1.043 -2.791 -7.394 1.00 0.00 C ATOM 376 CG MET A 24 1.727 -1.421 -7.413 1.00 0.00 C ATOM 377 SD MET A 24 1.316 -0.397 -8.849 1.00 0.00 S ATOM 378 CE MET A 24 2.344 1.053 -8.490 1.00 0.00 C ATOM 0 H MET A 24 0.150 -2.306 -5.174 1.00 0.00 H new ATOM 0 HA MET A 24 -0.884 -1.910 -7.756 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.505 -3.413 -6.627 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.208 -3.288 -8.350 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.454 -0.880 -6.507 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.807 -1.567 -7.384 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.501 1.623 -9.406 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.843 1.681 -7.753 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.306 0.728 -8.095 1.00 0.00 H new ATOM 388 N ASP A 25 -1.519 -4.901 -6.614 1.00 0.00 N ATOM 389 CA ASP A 25 -2.388 -6.047 -6.923 1.00 0.00 C ATOM 390 C ASP A 25 -3.829 -5.581 -7.208 1.00 0.00 C ATOM 391 O ASP A 25 -4.447 -6.027 -8.171 1.00 0.00 O ATOM 392 CB ASP A 25 -2.348 -7.101 -5.799 1.00 0.00 C ATOM 393 CG ASP A 25 -2.556 -8.547 -6.284 1.00 0.00 C ATOM 394 OD1 ASP A 25 -3.149 -8.802 -7.358 1.00 0.00 O ATOM 395 OD2 ASP A 25 -2.118 -9.474 -5.555 1.00 0.00 O ATOM 0 H ASP A 25 -1.185 -4.875 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.007 -6.523 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.387 -7.035 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.117 -6.862 -5.064 1.00 0.00 H new ATOM 400 N ILE A 26 -4.344 -4.599 -6.450 1.00 0.00 N ATOM 401 CA ILE A 26 -5.691 -4.029 -6.654 1.00 0.00 C ATOM 402 C ILE A 26 -5.760 -3.327 -8.015 1.00 0.00 C ATOM 403 O ILE A 26 -6.722 -3.492 -8.766 1.00 0.00 O ATOM 404 CB ILE A 26 -6.088 -3.029 -5.536 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.585 -3.344 -4.118 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.610 -2.803 -5.547 1.00 0.00 C ATOM 407 CD1 ILE A 26 -6.066 -4.667 -3.552 1.00 0.00 C ATOM 0 H ILE A 26 -3.837 -4.174 -5.674 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.398 -4.858 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.558 -2.111 -5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.495 -3.343 -4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.900 -2.543 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.879 -2.100 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.911 -2.398 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.120 -3.751 -5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.661 -4.803 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.155 -4.669 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.728 -5.481 -4.193 1.00 0.00 H new ATOM 419 N ASN A 27 -4.686 -2.607 -8.357 1.00 0.00 N ATOM 420 CA ASN A 27 -4.531 -1.918 -9.639 1.00 0.00 C ATOM 421 C ASN A 27 -4.573 -2.887 -10.840 1.00 0.00 C ATOM 422 O ASN A 27 -5.169 -2.559 -11.869 1.00 0.00 O ATOM 423 CB ASN A 27 -3.227 -1.104 -9.578 1.00 0.00 C ATOM 424 CG ASN A 27 -2.950 -0.347 -10.860 1.00 0.00 C ATOM 425 OD1 ASN A 27 -2.090 -0.728 -11.647 1.00 0.00 O ATOM 426 ND2 ASN A 27 -3.671 0.718 -11.116 1.00 0.00 N ATOM 0 H ASN A 27 -3.885 -2.486 -7.737 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.374 -1.246 -9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.282 -0.398 -8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.394 -1.775 -9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.520 1.241 -11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.383 1.024 -10.452 1.00 0.00 H new ATOM 433 N LYS A 28 -4.016 -4.100 -10.706 1.00 0.00 N ATOM 434 CA LYS A 28 -4.166 -5.193 -11.674 1.00 0.00 C ATOM 435 C LYS A 28 -5.597 -5.757 -11.690 1.00 0.00 C ATOM 436 O LYS A 28 -6.224 -5.778 -12.751 1.00 0.00 O ATOM 437 CB LYS A 28 -3.113 -6.266 -11.362 1.00 0.00 C ATOM 438 CG LYS A 28 -1.657 -5.881 -11.682 1.00 0.00 C ATOM 439 CD LYS A 28 -1.396 -5.716 -13.183 1.00 0.00 C ATOM 440 CE LYS A 28 0.102 -5.604 -13.478 1.00 0.00 C ATOM 441 NZ LYS A 28 0.336 -5.504 -14.936 1.00 0.00 N ATOM 0 H LYS A 28 -3.437 -4.352 -9.905 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.998 -4.814 -12.682 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.179 -6.518 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.363 -7.168 -11.921 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.413 -4.949 -11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.989 -6.646 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.812 -6.567 -13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.908 -4.826 -13.548 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.513 -4.728 -12.977 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.624 -6.474 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.357 -5.429 -15.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.039 -6.352 -15.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.146 -4.661 -15.308 1.00 0.00 H new ATOM 455 N ILE A 29 -6.147 -6.120 -10.524 1.00 0.00 N ATOM 456 CA ILE A 29 -7.487 -6.728 -10.367 1.00 0.00 C ATOM 457 C ILE A 29 -8.581 -5.869 -11.023 1.00 0.00 C ATOM 458 O ILE A 29 -9.392 -6.386 -11.793 1.00 0.00 O ATOM 459 CB ILE A 29 -7.792 -6.983 -8.865 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.875 -8.084 -8.280 1.00 0.00 C ATOM 461 CG2 ILE A 29 -9.261 -7.399 -8.635 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.733 -8.029 -6.748 1.00 0.00 C ATOM 0 H ILE A 29 -5.663 -5.998 -9.635 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.484 -7.687 -10.884 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.604 -6.038 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.269 -9.060 -8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.886 -7.996 -8.730 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.429 -7.567 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.923 -6.607 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.470 -8.317 -9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.076 -8.832 -6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.309 -7.068 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.714 -8.148 -6.287 1.00 0.00 H new ATOM 474 N ASN A 30 -8.585 -4.557 -10.774 1.00 0.00 N ATOM 475 CA ASN A 30 -9.603 -3.625 -11.280 1.00 0.00 C ATOM 476 C ASN A 30 -9.206 -2.891 -12.581 1.00 0.00 C ATOM 477 O ASN A 30 -9.922 -1.982 -13.017 1.00 0.00 O ATOM 478 CB ASN A 30 -10.022 -2.686 -10.131 1.00 0.00 C ATOM 479 CG ASN A 30 -11.080 -3.276 -9.210 1.00 0.00 C ATOM 480 OD1 ASN A 30 -11.560 -4.391 -9.363 1.00 0.00 O ATOM 481 ND2 ASN A 30 -11.517 -2.517 -8.237 1.00 0.00 N ATOM 0 H ASN A 30 -7.870 -4.102 -10.206 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.472 -4.202 -11.598 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.141 -2.433 -9.541 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.400 -1.756 -10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.251 -2.857 -7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.124 -1.586 -8.101 1.00 0.00 H new ATOM 488 N GLY A 31 -8.096 -3.268 -13.229 1.00 0.00 N ATOM 489 CA GLY A 31 -7.691 -2.713 -14.530 1.00 0.00 C ATOM 490 C GLY A 31 -7.286 -1.238 -14.510 1.00 0.00 C ATOM 491 O GLY A 31 -7.330 -0.588 -15.558 1.00 0.00 O ATOM 0 H GLY A 31 -7.450 -3.969 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.854 -3.298 -14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.515 -2.838 -15.233 1.00 0.00 H new ATOM 495 N GLY A 32 -6.933 -0.705 -13.339 1.00 0.00 N ATOM 496 CA GLY A 32 -6.633 0.707 -13.132 1.00 0.00 C ATOM 497 C GLY A 32 -5.453 1.180 -13.978 1.00 0.00 C ATOM 498 O GLY A 32 -4.435 0.499 -14.105 1.00 0.00 O ATOM 0 H GLY A 32 -6.847 -1.261 -12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.513 1.302 -13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.413 0.879 -12.078 1.00 0.00 H new ATOM 502 N ASP A 33 -5.597 2.362 -14.561 1.00 0.00 N ATOM 503 CA ASP A 33 -4.585 2.989 -15.415 1.00 0.00 C ATOM 504 C ASP A 33 -3.244 3.242 -14.682 1.00 0.00 C ATOM 505 O ASP A 33 -3.180 3.295 -13.454 1.00 0.00 O ATOM 506 CB ASP A 33 -5.179 4.281 -16.000 1.00 0.00 C ATOM 507 CG ASP A 33 -4.332 4.820 -17.147 1.00 0.00 C ATOM 508 OD1 ASP A 33 -4.324 4.185 -18.231 1.00 0.00 O ATOM 509 OD2 ASP A 33 -3.620 5.831 -16.945 1.00 0.00 O ATOM 0 H ASP A 33 -6.438 2.929 -14.454 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.333 2.301 -16.222 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.192 4.088 -16.354 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.253 5.035 -15.216 1.00 0.00 H new ATOM 514 N SER A 34 -2.152 3.429 -15.425 1.00 0.00 N ATOM 515 CA SER A 34 -0.815 3.707 -14.874 1.00 0.00 C ATOM 516 C SER A 34 -0.737 4.985 -14.036 1.00 0.00 C ATOM 517 O SER A 34 -0.050 5.002 -13.020 1.00 0.00 O ATOM 518 CB SER A 34 0.227 3.771 -15.991 1.00 0.00 C ATOM 519 OG SER A 34 -0.209 4.644 -17.016 1.00 0.00 O ATOM 0 H SER A 34 -2.167 3.392 -16.444 1.00 0.00 H new ATOM 0 HA SER A 34 -0.603 2.876 -14.201 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.180 4.116 -15.590 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.395 2.774 -16.399 1.00 0.00 H new ATOM 0 HG SER A 34 0.466 4.679 -17.725 1.00 0.00 H new ATOM 525 N THR A 35 -1.493 6.031 -14.374 1.00 0.00 N ATOM 526 CA THR A 35 -1.602 7.214 -13.499 1.00 0.00 C ATOM 527 C THR A 35 -2.358 6.873 -12.211 1.00 0.00 C ATOM 528 O THR A 35 -1.981 7.338 -11.139 1.00 0.00 O ATOM 529 CB THR A 35 -2.258 8.381 -14.246 1.00 0.00 C ATOM 530 OG1 THR A 35 -1.396 8.803 -15.281 1.00 0.00 O ATOM 531 CG2 THR A 35 -2.554 9.585 -13.354 1.00 0.00 C ATOM 0 H THR A 35 -2.036 6.090 -15.236 1.00 0.00 H new ATOM 0 HA THR A 35 -0.597 7.526 -13.215 1.00 0.00 H new ATOM 0 HB THR A 35 -3.211 8.013 -14.627 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.808 9.548 -15.766 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.017 10.373 -13.948 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.232 9.287 -12.554 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.624 9.955 -12.922 1.00 0.00 H new ATOM 539 N THR A 36 -3.356 5.989 -12.258 1.00 0.00 N ATOM 540 CA THR A 36 -4.025 5.445 -11.067 1.00 0.00 C ATOM 541 C THR A 36 -3.060 4.599 -10.220 1.00 0.00 C ATOM 542 O THR A 36 -3.124 4.630 -8.993 1.00 0.00 O ATOM 543 CB THR A 36 -5.261 4.623 -11.482 1.00 0.00 C ATOM 544 OG1 THR A 36 -5.956 5.267 -12.533 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.242 4.493 -10.331 1.00 0.00 C ATOM 0 H THR A 36 -3.730 5.624 -13.134 1.00 0.00 H new ATOM 0 HA THR A 36 -4.354 6.280 -10.448 1.00 0.00 H new ATOM 0 HB THR A 36 -4.897 3.643 -11.791 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.737 4.731 -12.785 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.104 3.908 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.756 3.993 -9.493 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.571 5.484 -10.020 1.00 0.00 H new ATOM 553 N ALA A 37 -2.090 3.924 -10.847 1.00 0.00 N ATOM 554 CA ALA A 37 -0.988 3.249 -10.160 1.00 0.00 C ATOM 555 C ALA A 37 -0.011 4.253 -9.509 1.00 0.00 C ATOM 556 O ALA A 37 0.458 4.024 -8.396 1.00 0.00 O ATOM 557 CB ALA A 37 -0.288 2.308 -11.150 1.00 0.00 C ATOM 0 H ALA A 37 -2.050 3.831 -11.862 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.387 2.657 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.535 1.799 -10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.001 1.570 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.100 2.886 -11.989 1.00 0.00 H new ATOM 563 N GLU A 38 0.239 5.410 -10.130 1.00 0.00 N ATOM 564 CA GLU A 38 0.964 6.519 -9.489 1.00 0.00 C ATOM 565 C GLU A 38 0.193 7.122 -8.302 1.00 0.00 C ATOM 566 O GLU A 38 0.786 7.343 -7.247 1.00 0.00 O ATOM 567 CB GLU A 38 1.381 7.582 -10.501 1.00 0.00 C ATOM 568 CG GLU A 38 2.436 7.071 -11.496 1.00 0.00 C ATOM 569 CD GLU A 38 3.152 8.192 -12.260 1.00 0.00 C ATOM 570 OE1 GLU A 38 2.671 9.353 -12.289 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.248 7.924 -12.811 1.00 0.00 O ATOM 0 H GLU A 38 -0.053 5.607 -11.087 1.00 0.00 H new ATOM 0 HA GLU A 38 1.878 6.094 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.502 7.919 -11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.777 8.448 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.176 6.480 -10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.956 6.404 -12.212 1.00 0.00 H new ATOM 578 N LYS A 39 -1.139 7.264 -8.383 1.00 0.00 N ATOM 579 CA LYS A 39 -1.980 7.590 -7.220 1.00 0.00 C ATOM 580 C LYS A 39 -1.836 6.569 -6.077 1.00 0.00 C ATOM 581 O LYS A 39 -1.922 6.978 -4.919 1.00 0.00 O ATOM 582 CB LYS A 39 -3.444 7.747 -7.652 1.00 0.00 C ATOM 583 CG LYS A 39 -3.842 9.157 -8.111 1.00 0.00 C ATOM 584 CD LYS A 39 -3.336 9.583 -9.495 1.00 0.00 C ATOM 585 CE LYS A 39 -3.754 11.012 -9.881 1.00 0.00 C ATOM 586 NZ LYS A 39 -5.223 11.159 -10.032 1.00 0.00 N ATOM 0 H LYS A 39 -1.662 7.157 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.629 8.541 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.644 7.048 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.085 7.459 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.930 9.225 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.475 9.874 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.248 9.512 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.714 8.886 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.400 11.708 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.267 11.288 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.443 12.116 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.574 10.458 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.684 11.006 -9.112 1.00 0.00 H new ATOM 600 N MET A 40 -1.558 5.289 -6.363 1.00 0.00 N ATOM 601 CA MET A 40 -1.210 4.283 -5.340 1.00 0.00 C ATOM 602 C MET A 40 0.210 4.469 -4.780 1.00 0.00 C ATOM 603 O MET A 40 0.387 4.365 -3.565 1.00 0.00 O ATOM 604 CB MET A 40 -1.370 2.846 -5.862 1.00 0.00 C ATOM 605 CG MET A 40 -2.797 2.484 -6.272 1.00 0.00 C ATOM 606 SD MET A 40 -4.008 2.480 -4.921 1.00 0.00 S ATOM 607 CE MET A 40 -5.456 1.861 -5.821 1.00 0.00 C ATOM 0 H MET A 40 -1.567 4.917 -7.313 1.00 0.00 H new ATOM 0 HA MET A 40 -1.919 4.444 -4.528 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.711 2.707 -6.719 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.039 2.152 -5.090 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.129 3.188 -7.035 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.787 1.496 -6.733 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.305 1.793 -5.141 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.697 2.544 -6.636 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.237 0.874 -6.228 1.00 0.00 H new ATOM 617 N LYS A 41 1.208 4.814 -5.613 1.00 0.00 N ATOM 618 CA LYS A 41 2.554 5.219 -5.132 1.00 0.00 C ATOM 619 C LYS A 41 2.456 6.368 -4.114 1.00 0.00 C ATOM 620 O LYS A 41 3.040 6.299 -3.032 1.00 0.00 O ATOM 621 CB LYS A 41 3.521 5.588 -6.260 1.00 0.00 C ATOM 622 CG LYS A 41 3.827 4.464 -7.260 1.00 0.00 C ATOM 623 CD LYS A 41 4.748 4.947 -8.400 1.00 0.00 C ATOM 624 CE LYS A 41 4.793 3.920 -9.543 1.00 0.00 C ATOM 625 NZ LYS A 41 5.874 4.192 -10.526 1.00 0.00 N ATOM 0 H LYS A 41 1.113 4.822 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 41 2.970 4.339 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.108 6.435 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.459 5.922 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.300 3.632 -6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.894 4.088 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.391 5.904 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.754 5.112 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.933 2.924 -9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.833 3.916 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.855 3.468 -11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.729 5.130 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.795 4.168 -10.044 1.00 0.00 H new ATOM 639 N VAL A 42 1.630 7.375 -4.418 1.00 0.00 N ATOM 640 CA VAL A 42 1.313 8.513 -3.534 1.00 0.00 C ATOM 641 C VAL A 42 0.581 8.077 -2.255 1.00 0.00 C ATOM 642 O VAL A 42 0.899 8.577 -1.174 1.00 0.00 O ATOM 643 CB VAL A 42 0.494 9.566 -4.316 1.00 0.00 C ATOM 644 CG1 VAL A 42 -0.044 10.706 -3.441 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.341 10.207 -5.424 1.00 0.00 C ATOM 0 H VAL A 42 1.146 7.426 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 42 2.254 8.958 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.351 9.012 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.607 11.405 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.696 10.296 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.789 11.228 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.742 10.944 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.209 10.696 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.674 9.436 -6.119 1.00 0.00 H new ATOM 655 N HIS A 43 -0.349 7.115 -2.322 1.00 0.00 N ATOM 656 CA HIS A 43 -1.092 6.615 -1.158 1.00 0.00 C ATOM 657 C HIS A 43 -0.143 5.884 -0.198 1.00 0.00 C ATOM 658 O HIS A 43 -0.235 6.059 1.017 1.00 0.00 O ATOM 659 CB HIS A 43 -2.236 5.699 -1.637 1.00 0.00 C ATOM 660 CG HIS A 43 -3.208 5.236 -0.569 1.00 0.00 C ATOM 661 ND1 HIS A 43 -3.053 5.321 0.797 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.424 4.637 -0.790 1.00 0.00 C ATOM 663 CE1 HIS A 43 -4.136 4.780 1.381 1.00 0.00 C ATOM 664 NE2 HIS A 43 -5.011 4.360 0.453 1.00 0.00 N ATOM 0 H HIS A 43 -0.609 6.657 -3.196 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.529 7.450 -0.611 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.798 6.226 -2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.797 4.819 -2.107 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.253 5.726 1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.854 4.417 -1.756 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.282 4.695 2.448 1.00 0.00 H new ATOM 672 N ALA A 44 0.809 5.125 -0.742 1.00 0.00 N ATOM 673 CA ALA A 44 1.812 4.408 0.033 1.00 0.00 C ATOM 674 C ALA A 44 2.820 5.352 0.720 1.00 0.00 C ATOM 675 O ALA A 44 3.046 5.253 1.929 1.00 0.00 O ATOM 676 CB ALA A 44 2.518 3.433 -0.916 1.00 0.00 C ATOM 0 H ALA A 44 0.903 4.992 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 44 1.323 3.869 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.278 2.877 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.789 2.737 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.989 3.990 -1.725 1.00 0.00 H new ATOM 682 N LYS A 45 3.397 6.299 -0.035 1.00 0.00 N ATOM 683 CA LYS A 45 4.395 7.261 0.472 1.00 0.00 C ATOM 684 C LYS A 45 3.808 8.205 1.526 1.00 0.00 C ATOM 685 O LYS A 45 4.468 8.480 2.532 1.00 0.00 O ATOM 686 CB LYS A 45 5.008 8.038 -0.710 1.00 0.00 C ATOM 687 CG LYS A 45 5.945 7.150 -1.551 1.00 0.00 C ATOM 688 CD LYS A 45 6.404 7.851 -2.837 1.00 0.00 C ATOM 689 CE LYS A 45 7.303 6.904 -3.640 1.00 0.00 C ATOM 690 NZ LYS A 45 7.691 7.470 -4.954 1.00 0.00 N ATOM 0 H LYS A 45 3.184 6.422 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 45 5.184 6.702 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.210 8.427 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.563 8.897 -0.332 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.817 6.878 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.432 6.223 -1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.540 8.143 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.946 8.765 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.201 6.684 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.784 5.958 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.298 6.793 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.837 7.656 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.211 8.359 -4.809 1.00 0.00 H new ATOM 704 N SER A 46 2.565 8.656 1.336 1.00 0.00 N ATOM 705 CA SER A 46 1.857 9.503 2.305 1.00 0.00 C ATOM 706 C SER A 46 1.398 8.749 3.560 1.00 0.00 C ATOM 707 O SER A 46 1.509 9.305 4.654 1.00 0.00 O ATOM 708 CB SER A 46 0.682 10.232 1.646 1.00 0.00 C ATOM 709 OG SER A 46 -0.256 9.327 1.100 1.00 0.00 O ATOM 0 H SER A 46 2.017 8.444 0.502 1.00 0.00 H new ATOM 0 HA SER A 46 2.585 10.240 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.189 10.867 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.056 10.887 0.859 1.00 0.00 H new ATOM 0 HG SER A 46 0.148 8.856 0.342 1.00 0.00 H new ATOM 715 N PHE A 47 0.969 7.480 3.446 1.00 0.00 N ATOM 716 CA PHE A 47 0.579 6.663 4.605 1.00 0.00 C ATOM 717 C PHE A 47 1.691 6.613 5.662 1.00 0.00 C ATOM 718 O PHE A 47 1.448 6.889 6.841 1.00 0.00 O ATOM 719 CB PHE A 47 0.202 5.235 4.186 1.00 0.00 C ATOM 720 CG PHE A 47 -0.084 4.334 5.379 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.304 4.447 6.074 1.00 0.00 C ATOM 722 CD2 PHE A 47 0.907 3.452 5.856 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.521 3.708 7.251 1.00 0.00 C ATOM 724 CE2 PHE A 47 0.682 2.700 7.023 1.00 0.00 C ATOM 725 CZ PHE A 47 -0.528 2.833 7.726 1.00 0.00 C ATOM 0 H PHE A 47 0.884 6.995 2.553 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.296 7.142 5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.676 5.269 3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.013 4.806 3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.076 5.104 5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.842 3.354 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.451 3.813 7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.440 2.019 7.380 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.695 2.264 8.629 1.00 0.00 H new ATOM 735 N GLU A 48 2.920 6.296 5.241 1.00 0.00 N ATOM 736 CA GLU A 48 4.048 6.178 6.166 1.00 0.00 C ATOM 737 C GLU A 48 4.522 7.530 6.714 1.00 0.00 C ATOM 738 O GLU A 48 4.843 7.619 7.894 1.00 0.00 O ATOM 739 CB GLU A 48 5.121 5.264 5.624 1.00 0.00 C ATOM 740 CG GLU A 48 6.232 5.966 4.886 1.00 0.00 C ATOM 741 CD GLU A 48 7.291 6.644 5.770 1.00 0.00 C ATOM 742 OE1 GLU A 48 7.635 6.113 6.857 1.00 0.00 O ATOM 743 OE2 GLU A 48 7.793 7.714 5.341 1.00 0.00 O ATOM 0 H GLU A 48 3.157 6.117 4.265 1.00 0.00 H new ATOM 0 HA GLU A 48 3.695 5.672 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.552 4.701 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.658 4.540 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.731 5.241 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.791 6.720 4.234 1.00 0.00 H new ATOM 750 N ALA A 49 4.481 8.599 5.907 1.00 0.00 N ATOM 751 CA ALA A 49 4.850 9.949 6.343 1.00 0.00 C ATOM 752 C ALA A 49 3.935 10.465 7.469 1.00 0.00 C ATOM 753 O ALA A 49 4.407 11.036 8.459 1.00 0.00 O ATOM 754 CB ALA A 49 4.790 10.880 5.126 1.00 0.00 C ATOM 0 H ALA A 49 4.190 8.550 4.931 1.00 0.00 H new ATOM 0 HA ALA A 49 5.859 9.925 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.061 11.892 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.487 10.529 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.779 10.882 4.719 1.00 0.00 H new ATOM 760 N ALA A 50 2.630 10.204 7.349 1.00 0.00 N ATOM 761 CA ALA A 50 1.640 10.549 8.365 1.00 0.00 C ATOM 762 C ALA A 50 1.809 9.694 9.635 1.00 0.00 C ATOM 763 O ALA A 50 1.677 10.212 10.747 1.00 0.00 O ATOM 764 CB ALA A 50 0.246 10.403 7.745 1.00 0.00 C ATOM 0 H ALA A 50 2.230 9.742 6.533 1.00 0.00 H new ATOM 0 HA ALA A 50 1.782 11.581 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.511 10.656 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.155 11.074 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.101 9.374 7.415 1.00 0.00 H new ATOM 770 N LEU A 51 2.170 8.411 9.484 1.00 0.00 N ATOM 771 CA LEU A 51 2.444 7.496 10.597 1.00 0.00 C ATOM 772 C LEU A 51 3.778 7.805 11.304 1.00 0.00 C ATOM 773 O LEU A 51 3.877 7.653 12.520 1.00 0.00 O ATOM 774 CB LEU A 51 2.380 6.048 10.068 1.00 0.00 C ATOM 775 CG LEU A 51 2.463 4.965 11.162 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.271 5.002 12.116 1.00 0.00 C ATOM 777 CD2 LEU A 51 2.537 3.578 10.525 1.00 0.00 C ATOM 0 H LEU A 51 2.281 7.975 8.569 1.00 0.00 H new ATOM 0 HA LEU A 51 1.683 7.632 11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.450 5.917 9.515 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.196 5.896 9.361 1.00 0.00 H new ATOM 0 HG LEU A 51 3.365 5.173 11.738 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.381 4.219 12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.230 5.973 12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.351 4.841 11.555 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.595 2.821 11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.646 3.407 9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.422 3.515 9.892 1.00 0.00 H new ATOM 789 N PHE A 52 4.789 8.301 10.586 1.00 0.00 N ATOM 790 CA PHE A 52 6.071 8.749 11.145 1.00 0.00 C ATOM 791 C PHE A 52 5.893 9.945 12.098 1.00 0.00 C ATOM 792 O PHE A 52 6.594 10.052 13.105 1.00 0.00 O ATOM 793 CB PHE A 52 7.049 9.043 9.992 1.00 0.00 C ATOM 794 CG PHE A 52 8.487 9.371 10.379 1.00 0.00 C ATOM 795 CD1 PHE A 52 9.167 8.629 11.368 1.00 0.00 C ATOM 796 CD2 PHE A 52 9.178 10.382 9.683 1.00 0.00 C ATOM 797 CE1 PHE A 52 10.511 8.916 11.672 1.00 0.00 C ATOM 798 CE2 PHE A 52 10.530 10.648 9.965 1.00 0.00 C ATOM 799 CZ PHE A 52 11.195 9.922 10.968 1.00 0.00 C ATOM 0 H PHE A 52 4.739 8.406 9.573 1.00 0.00 H new ATOM 0 HA PHE A 52 6.495 7.954 11.757 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.064 8.177 9.330 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.653 9.879 9.415 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.654 7.837 11.894 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.665 10.958 8.927 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.018 8.362 12.448 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.057 11.410 9.411 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.228 10.136 11.197 1.00 0.00 H new ATOM 809 N GLU A 53 4.891 10.796 11.869 1.00 0.00 N ATOM 810 CA GLU A 53 4.476 11.827 12.832 1.00 0.00 C ATOM 811 C GLU A 53 3.760 11.250 14.075 1.00 0.00 C ATOM 812 O GLU A 53 3.941 11.769 15.181 1.00 0.00 O ATOM 813 CB GLU A 53 3.614 12.851 12.088 1.00 0.00 C ATOM 814 CG GLU A 53 3.203 14.024 12.978 1.00 0.00 C ATOM 815 CD GLU A 53 2.527 15.107 12.142 1.00 0.00 C ATOM 816 OE1 GLU A 53 1.438 14.843 11.576 1.00 0.00 O ATOM 817 OE2 GLU A 53 3.081 16.227 12.035 1.00 0.00 O ATOM 0 H GLU A 53 4.341 10.793 11.010 1.00 0.00 H new ATOM 0 HA GLU A 53 5.365 12.312 13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.165 13.228 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.720 12.359 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.524 13.678 13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.080 14.435 13.479 1.00 0.00 H new ATOM 824 N LYS A 54 3.004 10.148 13.931 1.00 0.00 N ATOM 825 CA LYS A 54 2.348 9.411 15.033 1.00 0.00 C ATOM 826 C LYS A 54 3.271 8.441 15.787 1.00 0.00 C ATOM 827 O LYS A 54 2.864 7.854 16.788 1.00 0.00 O ATOM 828 CB LYS A 54 1.101 8.677 14.503 1.00 0.00 C ATOM 829 CG LYS A 54 0.045 9.652 13.964 1.00 0.00 C ATOM 830 CD LYS A 54 -1.390 9.089 13.950 1.00 0.00 C ATOM 831 CE LYS A 54 -1.570 7.892 13.003 1.00 0.00 C ATOM 832 NZ LYS A 54 -2.982 7.433 12.949 1.00 0.00 N ATOM 0 H LYS A 54 2.825 9.730 13.018 1.00 0.00 H new ATOM 0 HA LYS A 54 2.059 10.161 15.769 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.395 7.988 13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.666 8.077 15.303 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.061 10.558 14.570 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.319 9.942 12.950 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.663 8.786 14.961 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.080 9.881 13.657 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.240 8.169 12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.934 7.070 13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.060 6.625 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.290 7.144 13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.586 8.209 12.610 1.00 0.00 H new ATOM 846 N SER A 55 4.515 8.291 15.337 1.00 0.00 N ATOM 847 CA SER A 55 5.533 7.329 15.810 1.00 0.00 C ATOM 848 C SER A 55 6.074 7.517 17.244 1.00 0.00 C ATOM 849 O SER A 55 7.171 7.055 17.556 1.00 0.00 O ATOM 850 CB SER A 55 6.658 7.169 14.782 1.00 0.00 C ATOM 851 OG SER A 55 7.536 8.277 14.760 1.00 0.00 O ATOM 0 H SER A 55 4.872 8.874 14.580 1.00 0.00 H new ATOM 0 HA SER A 55 4.979 6.394 15.897 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.225 6.265 15.007 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.224 7.035 13.791 1.00 0.00 H new ATOM 0 HG SER A 55 7.089 9.040 14.338 1.00 0.00 H new ATOM 857 N SER A 56 5.334 8.191 18.133 1.00 0.00 N ATOM 858 CA SER A 56 5.728 8.466 19.528 1.00 0.00 C ATOM 859 C SER A 56 5.969 7.202 20.375 1.00 0.00 C ATOM 860 O SER A 56 6.549 7.292 21.454 1.00 0.00 O ATOM 861 CB SER A 56 4.688 9.367 20.204 1.00 0.00 C ATOM 862 OG SER A 56 4.532 10.563 19.457 1.00 0.00 O ATOM 0 H SER A 56 4.418 8.573 17.899 1.00 0.00 H new ATOM 0 HA SER A 56 6.689 8.977 19.473 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.734 8.845 20.277 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.002 9.601 21.221 1.00 0.00 H new ATOM 0 HG SER A 56 3.865 11.135 19.891 1.00 0.00 H new ATOM 868 N SER A 57 5.650 6.015 19.851 1.00 0.00 N ATOM 869 CA SER A 57 6.445 4.809 20.100 1.00 0.00 C ATOM 870 C SER A 57 6.687 4.024 18.802 1.00 0.00 C ATOM 871 O SER A 57 5.855 4.020 17.885 1.00 0.00 O ATOM 872 CB SER A 57 5.805 3.930 21.177 1.00 0.00 C ATOM 873 OG SER A 57 4.571 3.403 20.748 1.00 0.00 O ATOM 0 H SER A 57 4.841 5.863 19.248 1.00 0.00 H new ATOM 0 HA SER A 57 7.417 5.127 20.477 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.481 3.114 21.431 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.656 4.515 22.084 1.00 0.00 H new ATOM 0 HG SER A 57 4.189 2.845 21.458 1.00 0.00 H new ATOM 879 N LYS A 58 7.819 3.310 18.740 1.00 0.00 N ATOM 880 CA LYS A 58 8.117 2.319 17.687 1.00 0.00 C ATOM 881 C LYS A 58 7.040 1.235 17.644 1.00 0.00 C ATOM 882 O LYS A 58 6.638 0.824 16.559 1.00 0.00 O ATOM 883 CB LYS A 58 9.510 1.733 17.968 1.00 0.00 C ATOM 884 CG LYS A 58 9.977 0.683 16.996 1.00 0.00 C ATOM 885 CD LYS A 58 11.451 0.339 17.276 1.00 0.00 C ATOM 886 CE LYS A 58 11.854 -0.777 16.328 1.00 0.00 C ATOM 887 NZ LYS A 58 11.462 -2.099 16.869 1.00 0.00 N ATOM 0 H LYS A 58 8.567 3.403 19.428 1.00 0.00 H new ATOM 0 HA LYS A 58 8.117 2.793 16.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.234 2.548 17.972 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.509 1.302 18.969 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.361 -0.211 17.087 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.865 1.044 15.974 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.083 1.214 17.126 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.580 0.026 18.312 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.383 -0.623 15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.932 -0.751 16.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.022 -2.843 16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.637 -2.121 17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.451 -2.263 16.687 1.00 0.00 H new ATOM 901 N GLU A 59 6.521 0.833 18.803 1.00 0.00 N ATOM 902 CA GLU A 59 5.463 -0.176 18.914 1.00 0.00 C ATOM 903 C GLU A 59 4.119 0.263 18.298 1.00 0.00 C ATOM 904 O GLU A 59 3.370 -0.595 17.833 1.00 0.00 O ATOM 905 CB GLU A 59 5.259 -0.598 20.379 1.00 0.00 C ATOM 906 CG GLU A 59 6.542 -1.004 21.120 1.00 0.00 C ATOM 907 CD GLU A 59 7.155 0.182 21.871 1.00 0.00 C ATOM 908 OE1 GLU A 59 6.735 0.444 23.024 1.00 0.00 O ATOM 909 OE2 GLU A 59 8.054 0.859 21.319 1.00 0.00 O ATOM 0 H GLU A 59 6.826 1.202 19.704 1.00 0.00 H new ATOM 0 HA GLU A 59 5.808 -1.030 18.331 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.791 0.226 20.917 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.561 -1.434 20.407 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.319 -1.806 21.824 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.266 -1.398 20.407 1.00 0.00 H new ATOM 916 N GLU A 60 3.793 1.562 18.242 1.00 0.00 N ATOM 917 CA GLU A 60 2.623 2.051 17.490 1.00 0.00 C ATOM 918 C GLU A 60 2.894 2.170 15.985 1.00 0.00 C ATOM 919 O GLU A 60 2.022 1.813 15.188 1.00 0.00 O ATOM 920 CB GLU A 60 2.125 3.403 18.030 1.00 0.00 C ATOM 921 CG GLU A 60 1.454 3.324 19.408 1.00 0.00 C ATOM 922 CD GLU A 60 0.225 2.411 19.455 1.00 0.00 C ATOM 923 OE1 GLU A 60 -0.622 2.434 18.530 1.00 0.00 O ATOM 924 OE2 GLU A 60 0.040 1.714 20.481 1.00 0.00 O ATOM 0 H GLU A 60 4.324 2.297 18.709 1.00 0.00 H new ATOM 0 HA GLU A 60 1.846 1.300 17.634 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.969 4.091 18.089 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.417 3.827 17.318 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.184 2.970 20.136 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.159 4.328 19.715 1.00 0.00 H new ATOM 931 N TYR A 61 4.090 2.616 15.572 1.00 0.00 N ATOM 932 CA TYR A 61 4.464 2.640 14.149 1.00 0.00 C ATOM 933 C TYR A 61 4.435 1.216 13.568 1.00 0.00 C ATOM 934 O TYR A 61 3.741 0.959 12.585 1.00 0.00 O ATOM 935 CB TYR A 61 5.831 3.327 13.954 1.00 0.00 C ATOM 936 CG TYR A 61 6.247 3.504 12.496 1.00 0.00 C ATOM 937 CD1 TYR A 61 6.897 2.452 11.823 1.00 0.00 C ATOM 938 CD2 TYR A 61 5.976 4.704 11.800 1.00 0.00 C ATOM 939 CE1 TYR A 61 7.220 2.575 10.456 1.00 0.00 C ATOM 940 CE2 TYR A 61 6.304 4.839 10.431 1.00 0.00 C ATOM 941 CZ TYR A 61 6.920 3.763 9.752 1.00 0.00 C ATOM 942 OH TYR A 61 7.245 3.849 8.431 1.00 0.00 O ATOM 0 H TYR A 61 4.813 2.964 16.201 1.00 0.00 H new ATOM 0 HA TYR A 61 3.733 3.232 13.598 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.803 4.306 14.432 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.594 2.743 14.468 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.149 1.547 12.356 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.512 5.529 12.321 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.700 1.755 9.943 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.085 5.758 9.908 1.00 0.00 H new ATOM 0 HH TYR A 61 7.309 4.792 8.171 1.00 0.00 H new ATOM 952 N GLN A 62 5.097 0.258 14.226 1.00 0.00 N ATOM 953 CA GLN A 62 5.154 -1.131 13.768 1.00 0.00 C ATOM 954 C GLN A 62 3.786 -1.828 13.797 1.00 0.00 C ATOM 955 O GLN A 62 3.452 -2.501 12.817 1.00 0.00 O ATOM 956 CB GLN A 62 6.190 -1.922 14.586 1.00 0.00 C ATOM 957 CG GLN A 62 7.634 -1.538 14.238 1.00 0.00 C ATOM 958 CD GLN A 62 8.629 -2.525 14.838 1.00 0.00 C ATOM 959 OE1 GLN A 62 8.817 -2.606 16.045 1.00 0.00 O ATOM 960 NE2 GLN A 62 9.309 -3.317 14.041 1.00 0.00 N ATOM 0 H GLN A 62 5.609 0.426 15.092 1.00 0.00 H new ATOM 0 HA GLN A 62 5.464 -1.108 12.723 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.018 -1.749 15.648 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.049 -2.988 14.410 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.754 -1.510 13.155 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.845 -0.535 14.608 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.169 -3.267 13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.977 -3.982 14.431 1.00 0.00 H new ATOM 969 N LYS A 63 2.968 -1.631 14.850 1.00 0.00 N ATOM 970 CA LYS A 63 1.608 -2.197 14.921 1.00 0.00 C ATOM 971 C LYS A 63 0.707 -1.646 13.821 1.00 0.00 C ATOM 972 O LYS A 63 0.028 -2.430 13.158 1.00 0.00 O ATOM 973 CB LYS A 63 0.986 -1.959 16.311 1.00 0.00 C ATOM 974 CG LYS A 63 -0.473 -2.451 16.393 1.00 0.00 C ATOM 975 CD LYS A 63 -1.073 -2.274 17.792 1.00 0.00 C ATOM 976 CE LYS A 63 -2.600 -2.407 17.721 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.219 -2.346 19.064 1.00 0.00 N ATOM 0 H LYS A 63 3.229 -1.080 15.668 1.00 0.00 H new ATOM 0 HA LYS A 63 1.694 -3.272 14.763 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.583 -2.471 17.066 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.022 -0.895 16.545 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.079 -1.905 15.670 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.515 -3.504 16.114 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.664 -3.023 18.471 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.802 -1.298 18.194 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.006 -1.611 17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.861 -3.351 17.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.251 -2.439 18.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.851 -3.121 19.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.991 -1.435 19.510 1.00 0.00 H new ATOM 991 N THR A 64 0.696 -0.329 13.607 1.00 0.00 N ATOM 992 CA THR A 64 -0.200 0.290 12.612 1.00 0.00 C ATOM 993 C THR A 64 0.242 -0.045 11.188 1.00 0.00 C ATOM 994 O THR A 64 -0.603 -0.364 10.354 1.00 0.00 O ATOM 995 CB THR A 64 -0.296 1.818 12.769 1.00 0.00 C ATOM 996 OG1 THR A 64 -0.372 2.230 14.121 1.00 0.00 O ATOM 997 CG2 THR A 64 -1.535 2.380 12.074 1.00 0.00 C ATOM 0 H THR A 64 1.293 0.332 14.104 1.00 0.00 H new ATOM 0 HA THR A 64 -1.189 -0.130 12.796 1.00 0.00 H new ATOM 0 HB THR A 64 0.619 2.199 12.315 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.533 2.319 14.487 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.568 3.461 12.207 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.493 2.146 11.010 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.430 1.934 12.508 1.00 0.00 H new ATOM 1005 N MET A 65 1.554 -0.068 10.917 1.00 0.00 N ATOM 1006 CA MET A 65 2.104 -0.531 9.638 1.00 0.00 C ATOM 1007 C MET A 65 1.648 -1.966 9.339 1.00 0.00 C ATOM 1008 O MET A 65 1.033 -2.211 8.302 1.00 0.00 O ATOM 1009 CB MET A 65 3.639 -0.406 9.666 1.00 0.00 C ATOM 1010 CG MET A 65 4.303 -0.805 8.343 1.00 0.00 C ATOM 1011 SD MET A 65 3.905 0.248 6.919 1.00 0.00 S ATOM 1012 CE MET A 65 4.949 1.687 7.275 1.00 0.00 C ATOM 0 H MET A 65 2.265 0.235 11.582 1.00 0.00 H new ATOM 0 HA MET A 65 1.726 0.095 8.829 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.909 0.623 9.904 1.00 0.00 H new ATOM 0 HB3 MET A 65 4.033 -1.032 10.466 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.384 -0.802 8.484 1.00 0.00 H new ATOM 0 HG3 MET A 65 4.015 -1.829 8.107 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.821 2.432 6.490 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.661 2.117 8.234 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.993 1.378 7.315 1.00 0.00 H new ATOM 1022 N LYS A 66 1.850 -2.900 10.282 1.00 0.00 N ATOM 1023 CA LYS A 66 1.434 -4.304 10.125 1.00 0.00 C ATOM 1024 C LYS A 66 -0.088 -4.420 9.964 1.00 0.00 C ATOM 1025 O LYS A 66 -0.555 -5.130 9.080 1.00 0.00 O ATOM 1026 CB LYS A 66 1.976 -5.137 11.299 1.00 0.00 C ATOM 1027 CG LYS A 66 2.224 -6.631 11.021 1.00 0.00 C ATOM 1028 CD LYS A 66 1.021 -7.418 10.479 1.00 0.00 C ATOM 1029 CE LYS A 66 1.244 -8.931 10.522 1.00 0.00 C ATOM 1030 NZ LYS A 66 1.155 -9.472 11.897 1.00 0.00 N ATOM 0 H LYS A 66 2.305 -2.704 11.173 1.00 0.00 H new ATOM 0 HA LYS A 66 1.862 -4.707 9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.914 -4.691 11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.274 -5.056 12.129 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.043 -6.717 10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.557 -7.103 11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.135 -7.168 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.824 -7.112 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.504 -9.423 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.224 -9.164 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.177 -10.511 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.959 -9.127 12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.266 -9.159 12.336 1.00 0.00 H new ATOM 1044 N SER A 67 -0.877 -3.693 10.760 1.00 0.00 N ATOM 1045 CA SER A 67 -2.330 -3.809 10.777 1.00 0.00 C ATOM 1046 C SER A 67 -2.998 -3.224 9.531 1.00 0.00 C ATOM 1047 O SER A 67 -3.975 -3.808 9.053 1.00 0.00 O ATOM 1048 CB SER A 67 -2.841 -3.138 12.048 1.00 0.00 C ATOM 1049 OG SER A 67 -2.299 -3.787 13.189 1.00 0.00 O ATOM 0 H SER A 67 -0.516 -3.001 11.417 1.00 0.00 H new ATOM 0 HA SER A 67 -2.594 -4.867 10.769 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.561 -2.084 12.051 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.930 -3.179 12.079 1.00 0.00 H new ATOM 0 HG SER A 67 -1.380 -3.479 13.335 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.448 -2.149 8.948 1.00 0.00 N ATOM 1056 CA LYS A 68 -2.905 -1.606 7.659 1.00 0.00 C ATOM 1057 C LYS A 68 -2.450 -2.471 6.479 1.00 0.00 C ATOM 1058 O LYS A 68 -3.241 -2.700 5.568 1.00 0.00 O ATOM 1059 CB LYS A 68 -2.453 -0.144 7.519 1.00 0.00 C ATOM 1060 CG LYS A 68 -3.203 0.653 6.429 1.00 0.00 C ATOM 1061 CD LYS A 68 -4.496 1.342 6.910 1.00 0.00 C ATOM 1062 CE LYS A 68 -5.725 0.425 6.912 1.00 0.00 C ATOM 1063 NZ LYS A 68 -6.913 1.112 7.467 1.00 0.00 N ATOM 0 H LYS A 68 -1.672 -1.630 9.358 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.995 -1.628 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.587 0.359 8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.386 -0.126 7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.532 1.411 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.450 -0.022 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.339 1.724 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.697 2.202 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.936 0.095 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.513 -0.469 7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.726 0.464 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.719 1.404 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.129 1.951 6.892 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.228 -3.020 6.516 1.00 0.00 N ATOM 1078 CA ILE A 69 -0.775 -4.029 5.542 1.00 0.00 C ATOM 1079 C ILE A 69 -1.697 -5.255 5.577 1.00 0.00 C ATOM 1080 O ILE A 69 -2.172 -5.674 4.526 1.00 0.00 O ATOM 1081 CB ILE A 69 0.721 -4.381 5.754 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.597 -3.205 5.262 1.00 0.00 C ATOM 1083 CG2 ILE A 69 1.113 -5.678 5.019 1.00 0.00 C ATOM 1084 CD1 ILE A 69 3.098 -3.351 5.552 1.00 0.00 C ATOM 0 H ILE A 69 -0.527 -2.780 7.217 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.844 -3.611 4.538 1.00 0.00 H new ATOM 0 HB ILE A 69 0.885 -4.548 6.819 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.459 -3.093 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.240 -2.286 5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.168 -5.890 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.510 -6.505 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.938 -5.557 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.629 -2.479 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.255 -3.429 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.477 -4.249 5.064 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.031 -5.795 6.753 1.00 0.00 N ATOM 1097 CA ASP A 70 -2.938 -6.943 6.872 1.00 0.00 C ATOM 1098 C ASP A 70 -4.382 -6.609 6.451 1.00 0.00 C ATOM 1099 O ASP A 70 -5.029 -7.435 5.810 1.00 0.00 O ATOM 1100 CB ASP A 70 -2.869 -7.531 8.286 1.00 0.00 C ATOM 1101 CG ASP A 70 -3.659 -8.839 8.390 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -3.384 -9.794 7.624 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -4.565 -8.927 9.253 1.00 0.00 O ATOM 0 H ASP A 70 -1.682 -5.451 7.647 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.599 -7.704 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.828 -7.711 8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.263 -6.809 9.001 1.00 0.00 H new ATOM 1108 N ALA A 71 -4.868 -5.387 6.704 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.153 -4.909 6.180 1.00 0.00 C ATOM 1110 C ALA A 71 -6.163 -4.851 4.639 1.00 0.00 C ATOM 1111 O ALA A 71 -7.140 -5.253 4.003 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.464 -3.533 6.782 1.00 0.00 C ATOM 0 H ALA A 71 -4.380 -4.701 7.279 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.928 -5.618 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.418 -3.174 6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.520 -3.615 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.675 -2.831 6.511 1.00 0.00 H new ATOM 1118 N MET A 72 -5.066 -4.414 4.011 1.00 0.00 N ATOM 1119 CA MET A 72 -4.930 -4.391 2.548 1.00 0.00 C ATOM 1120 C MET A 72 -4.747 -5.798 1.956 1.00 0.00 C ATOM 1121 O MET A 72 -5.378 -6.128 0.952 1.00 0.00 O ATOM 1122 CB MET A 72 -3.793 -3.443 2.139 1.00 0.00 C ATOM 1123 CG MET A 72 -4.133 -1.970 2.399 1.00 0.00 C ATOM 1124 SD MET A 72 -5.501 -1.339 1.389 1.00 0.00 S ATOM 1125 CE MET A 72 -5.541 0.380 1.964 1.00 0.00 C ATOM 0 H MET A 72 -4.244 -4.065 4.504 1.00 0.00 H new ATOM 0 HA MET A 72 -5.862 -4.010 2.130 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.889 -3.706 2.689 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.573 -3.580 1.080 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.385 -1.847 3.452 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.246 -1.364 2.211 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.332 0.920 1.443 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.734 0.400 3.037 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.581 0.855 1.759 1.00 0.00 H new ATOM 1135 N ARG A 73 -3.987 -6.678 2.621 1.00 0.00 N ATOM 1136 CA ARG A 73 -3.896 -8.115 2.298 1.00 0.00 C ATOM 1137 C ARG A 73 -5.274 -8.790 2.352 1.00 0.00 C ATOM 1138 O ARG A 73 -5.651 -9.498 1.418 1.00 0.00 O ATOM 1139 CB ARG A 73 -2.916 -8.802 3.254 1.00 0.00 C ATOM 1140 CG ARG A 73 -1.446 -8.483 2.956 1.00 0.00 C ATOM 1141 CD ARG A 73 -0.577 -9.131 4.044 1.00 0.00 C ATOM 1142 NE ARG A 73 0.868 -8.869 3.897 1.00 0.00 N ATOM 1143 CZ ARG A 73 1.651 -9.211 2.890 1.00 0.00 C ATOM 1144 NH1 ARG A 73 1.257 -9.924 1.878 1.00 0.00 N ATOM 1145 NH2 ARG A 73 2.892 -8.835 2.854 1.00 0.00 N ATOM 0 H ARG A 73 -3.405 -6.409 3.415 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.525 -8.215 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.145 -8.500 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.064 -9.881 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.168 -8.863 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.288 -7.405 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.904 -8.768 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.743 -10.208 4.033 1.00 0.00 H new ATOM 0 HE ARG A 73 1.314 -8.365 4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.293 -10.253 1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.912 -10.155 1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.275 -8.268 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.485 -9.107 2.070 1.00 0.00 H new ATOM 1159 N SER A 74 -6.065 -8.504 3.384 1.00 0.00 N ATOM 1160 CA SER A 74 -7.451 -8.984 3.526 1.00 0.00 C ATOM 1161 C SER A 74 -8.430 -8.289 2.571 1.00 0.00 C ATOM 1162 O SER A 74 -9.453 -8.871 2.207 1.00 0.00 O ATOM 1163 CB SER A 74 -7.907 -8.838 4.981 1.00 0.00 C ATOM 1164 OG SER A 74 -7.152 -9.736 5.775 1.00 0.00 O ATOM 0 H SER A 74 -5.761 -7.921 4.164 1.00 0.00 H new ATOM 0 HA SER A 74 -7.457 -10.038 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.762 -7.814 5.324 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.971 -9.056 5.069 1.00 0.00 H new ATOM 0 HG SER A 74 -6.292 -9.326 6.005 1.00 0.00 H new ATOM 1170 N THR A 75 -8.099 -7.091 2.076 1.00 0.00 N ATOM 1171 CA THR A 75 -8.829 -6.444 0.976 1.00 0.00 C ATOM 1172 C THR A 75 -8.616 -7.214 -0.332 1.00 0.00 C ATOM 1173 O THR A 75 -9.606 -7.507 -0.996 1.00 0.00 O ATOM 1174 CB THR A 75 -8.474 -4.951 0.837 1.00 0.00 C ATOM 1175 OG1 THR A 75 -8.785 -4.263 2.031 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.271 -4.252 -0.266 1.00 0.00 C ATOM 0 H THR A 75 -7.315 -6.540 2.427 1.00 0.00 H new ATOM 0 HA THR A 75 -9.892 -6.476 1.216 1.00 0.00 H new ATOM 0 HB THR A 75 -7.410 -4.924 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.116 -4.475 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.979 -3.203 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.067 -4.733 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.336 -4.321 -0.045 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.390 -7.664 -0.669 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.145 -8.535 -1.852 1.00 0.00 C ATOM 1186 C ARG A 76 -8.031 -9.776 -1.871 1.00 0.00 C ATOM 1187 O ARG A 76 -8.509 -10.199 -2.920 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.705 -9.078 -1.913 1.00 0.00 C ATOM 1189 CG ARG A 76 -4.601 -8.036 -1.795 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.287 -8.571 -2.387 1.00 0.00 C ATOM 1191 NE ARG A 76 -2.775 -9.730 -1.627 1.00 0.00 N ATOM 1192 CZ ARG A 76 -1.780 -10.532 -1.953 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -1.158 -10.461 -3.091 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -1.409 -11.439 -1.103 1.00 0.00 N ATOM 0 H ARG A 76 -6.547 -7.441 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.360 -7.876 -2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.577 -9.808 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.577 -9.611 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.896 -7.125 -2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.453 -7.772 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.447 -8.860 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.539 -7.778 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.247 -9.934 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.434 -9.761 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.394 -11.105 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.884 -11.521 -0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.642 -12.071 -1.333 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.219 -10.348 -0.689 1.00 0.00 N ATOM 1209 CA ASP A 77 -8.958 -11.597 -0.472 1.00 0.00 C ATOM 1210 C ASP A 77 -10.460 -11.409 -0.725 1.00 0.00 C ATOM 1211 O ASP A 77 -11.121 -12.285 -1.289 1.00 0.00 O ATOM 1212 CB ASP A 77 -8.692 -12.100 0.954 1.00 0.00 C ATOM 1213 CG ASP A 77 -9.443 -13.400 1.231 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -8.979 -14.464 0.766 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -10.524 -13.355 1.868 1.00 0.00 O ATOM 0 H ASP A 77 -7.853 -9.948 0.175 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.609 -12.344 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.623 -12.258 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.998 -11.340 1.673 1.00 0.00 H new ATOM 1220 N LYS A 78 -10.989 -10.232 -0.372 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.378 -9.859 -0.650 1.00 0.00 C ATOM 1222 C LYS A 78 -12.603 -9.428 -2.082 1.00 0.00 C ATOM 1223 O LYS A 78 -13.486 -9.948 -2.756 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.824 -8.753 0.309 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.307 -8.982 0.639 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.971 -7.862 1.444 1.00 0.00 C ATOM 1227 CE LYS A 78 -16.296 -8.330 2.069 1.00 0.00 C ATOM 1228 NZ LYS A 78 -17.272 -8.823 1.064 1.00 0.00 N ATOM 0 H LYS A 78 -10.462 -9.509 0.117 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.981 -10.753 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.224 -8.772 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.682 -7.773 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.855 -9.113 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.400 -9.914 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.295 -7.527 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.155 -7.006 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.092 -9.123 2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.741 -7.504 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.162 -9.076 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.454 -8.077 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.884 -9.661 0.586 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.722 -8.564 -2.583 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.670 -8.164 -4.001 1.00 0.00 C ATOM 1244 C ARG A 79 -11.575 -9.371 -4.945 1.00 0.00 C ATOM 1245 O ARG A 79 -12.034 -9.268 -6.080 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.495 -7.198 -4.243 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.633 -5.834 -3.544 1.00 0.00 C ATOM 1248 CD ARG A 79 -11.773 -4.973 -4.090 1.00 0.00 C ATOM 1249 NE ARG A 79 -11.810 -3.673 -3.390 1.00 0.00 N ATOM 1250 CZ ARG A 79 -11.443 -2.497 -3.869 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -11.129 -2.338 -5.120 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -11.380 -1.451 -3.105 1.00 0.00 N ATOM 0 H ARG A 79 -11.009 -8.111 -2.011 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.606 -7.654 -4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.575 -7.674 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.392 -7.033 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.792 -5.997 -2.478 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.696 -5.287 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.639 -4.815 -5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.723 -5.491 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.157 -3.684 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.162 -3.132 -5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.849 -1.419 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.616 -1.527 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.095 -0.552 -3.494 1.00 0.00 H new ATOM 1266 N LYS A 80 -11.089 -10.531 -4.478 1.00 0.00 N ATOM 1267 CA LYS A 80 -11.071 -11.785 -5.257 1.00 0.00 C ATOM 1268 C LYS A 80 -12.474 -12.388 -5.386 1.00 0.00 C ATOM 1269 O LYS A 80 -12.860 -12.805 -6.473 1.00 0.00 O ATOM 1270 CB LYS A 80 -10.057 -12.758 -4.624 1.00 0.00 C ATOM 1271 CG LYS A 80 -9.914 -14.097 -5.370 1.00 0.00 C ATOM 1272 CD LYS A 80 -8.821 -14.953 -4.712 1.00 0.00 C ATOM 1273 CE LYS A 80 -8.713 -16.336 -5.366 1.00 0.00 C ATOM 1274 NZ LYS A 80 -7.557 -17.094 -4.828 1.00 0.00 N ATOM 0 H LYS A 80 -10.694 -10.629 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.749 -11.576 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.082 -12.272 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.357 -12.959 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.863 -14.633 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.665 -13.915 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.862 -14.439 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.039 -15.069 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.632 -16.896 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.608 -16.224 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.508 -18.025 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.679 -16.569 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.672 -17.220 -3.802 1.00 0.00 H new ATOM 1288 N ARG A 81 -13.272 -12.359 -4.312 1.00 0.00 N ATOM 1289 CA ARG A 81 -14.631 -12.923 -4.249 1.00 0.00 C ATOM 1290 C ARG A 81 -15.732 -11.972 -4.706 1.00 0.00 C ATOM 1291 O ARG A 81 -16.742 -12.422 -5.238 1.00 0.00 O ATOM 1292 CB ARG A 81 -14.897 -13.506 -2.849 1.00 0.00 C ATOM 1293 CG ARG A 81 -14.382 -14.948 -2.710 1.00 0.00 C ATOM 1294 CD ARG A 81 -12.857 -15.127 -2.610 1.00 0.00 C ATOM 1295 NE ARG A 81 -12.348 -14.948 -1.236 1.00 0.00 N ATOM 1296 CZ ARG A 81 -12.401 -15.852 -0.270 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -12.978 -17.012 -0.429 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -11.867 -15.623 0.890 1.00 0.00 N ATOM 0 H ARG A 81 -12.983 -11.929 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.667 -13.732 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.417 -12.877 -2.099 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.968 -13.484 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.836 -15.388 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.737 -15.521 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.589 -16.122 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.368 -14.410 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.918 -14.051 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.409 -17.249 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.998 -17.682 0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.397 -14.735 1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.917 -16.330 1.623 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.494 -10.671 -4.629 1.00 0.00 N ATOM 1313 CA GLU A 82 -16.281 -9.656 -5.350 1.00 0.00 C ATOM 1314 C GLU A 82 -16.085 -9.799 -6.875 1.00 0.00 C ATOM 1315 O GLU A 82 -17.042 -9.638 -7.638 1.00 0.00 O ATOM 1316 CB GLU A 82 -15.935 -8.228 -4.866 1.00 0.00 C ATOM 1317 CG GLU A 82 -16.415 -7.940 -3.431 1.00 0.00 C ATOM 1318 CD GLU A 82 -16.282 -6.457 -3.034 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -15.150 -5.940 -2.900 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -17.319 -5.774 -2.814 1.00 0.00 O ATOM 0 H GLU A 82 -14.744 -10.277 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.335 -9.824 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.855 -8.086 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.384 -7.503 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.458 -8.243 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.841 -8.549 -2.733 1.00 0.00 H new ATOM 1327 N SER A 83 -14.879 -10.192 -7.318 1.00 0.00 N ATOM 1328 CA SER A 83 -14.541 -10.420 -8.740 1.00 0.00 C ATOM 1329 C SER A 83 -14.823 -11.849 -9.244 1.00 0.00 C ATOM 1330 O SER A 83 -14.834 -12.074 -10.455 1.00 0.00 O ATOM 1331 CB SER A 83 -13.079 -10.051 -9.023 1.00 0.00 C ATOM 1332 OG SER A 83 -12.781 -8.746 -8.554 1.00 0.00 O ATOM 0 H SER A 83 -14.095 -10.364 -6.689 1.00 0.00 H new ATOM 0 HA SER A 83 -15.210 -9.762 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.419 -10.773 -8.542 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.887 -10.108 -10.094 1.00 0.00 H new ATOM 0 HG SER A 83 -12.703 -8.759 -7.577 1.00 0.00 H new