USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 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 25 LYS NZ :NH3+ -171:sc= 0.229 (180deg=0) USER MOD Set 1.2: A 91 THR OG1 : rot -113:sc= 1.34 USER MOD Set 2.1: A 33 SER OG : rot 26:sc= 1.12 USER MOD Set 2.2: A 51 TYR OH : rot 128:sc= 1.22 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 MET CE :methyl 133:sc= -3.44 (180deg=-9.81!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 80:sc= -2.82 USER MOD Single : A 43 ASN :FLIP amide:sc= 0.751 F(o=-0.28,f=0.75) USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.725 F(o=-1.7!,f=-0.72) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.73 F(o=-5!,f=-1.7) USER MOD Single : A 78 ASN : amide:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 79 SER OG : rot 90:sc= 0.303 USER MOD Single : A 80 SER OG : rot 154:sc= -0.102 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -0.336 F(o=-1,f=-0.34) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 165:sc= -0.222 USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 12 -2.886 12.922 -6.136 1.00 0.00 N ATOM 116 CA PRO A 12 -3.872 12.344 -5.219 1.00 0.00 C ATOM 117 C PRO A 12 -4.113 10.862 -5.486 1.00 0.00 C ATOM 118 O PRO A 12 -3.511 10.279 -6.388 1.00 0.00 O ATOM 119 CB PRO A 12 -5.140 13.151 -5.506 1.00 0.00 C ATOM 120 CG PRO A 12 -4.973 13.635 -6.905 1.00 0.00 C ATOM 121 CD PRO A 12 -3.498 13.860 -7.092 1.00 0.00 C ATOM 0 HA PRO A 12 -3.543 12.396 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.033 12.534 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.246 13.983 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.350 12.902 -7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.532 14.556 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.186 13.651 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.219 14.892 -6.878 1.00 0.00 H new ATOM 129 N ILE A 13 -4.996 10.259 -4.698 1.00 0.00 N ATOM 130 CA ILE A 13 -5.317 8.845 -4.851 1.00 0.00 C ATOM 131 C ILE A 13 -6.731 8.658 -5.391 1.00 0.00 C ATOM 132 O ILE A 13 -7.711 8.841 -4.670 1.00 0.00 O ATOM 133 CB ILE A 13 -5.185 8.090 -3.516 1.00 0.00 C ATOM 134 CG1 ILE A 13 -3.784 8.283 -2.932 1.00 0.00 C ATOM 135 CG2 ILE A 13 -5.483 6.611 -3.712 1.00 0.00 C ATOM 136 CD1 ILE A 13 -3.561 7.535 -1.636 1.00 0.00 C ATOM 0 H ILE A 13 -5.502 10.727 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.601 8.434 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.911 8.497 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.046 7.954 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.613 9.346 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.385 6.091 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.499 6.491 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.778 6.190 -4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.547 7.718 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.276 7.880 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.699 6.467 -1.804 1.00 0.00 H new ATOM 148 N VAL A 14 -6.828 8.289 -6.664 1.00 0.00 N ATOM 149 CA VAL A 14 -8.122 8.073 -7.301 1.00 0.00 C ATOM 150 C VAL A 14 -8.763 6.777 -6.818 1.00 0.00 C ATOM 151 O VAL A 14 -8.216 5.686 -6.984 1.00 0.00 O ATOM 152 CB VAL A 14 -7.993 8.029 -8.835 1.00 0.00 C ATOM 153 CG1 VAL A 14 -6.863 7.099 -9.249 1.00 0.00 C ATOM 154 CG2 VAL A 14 -9.307 7.599 -9.468 1.00 0.00 C ATOM 0 H VAL A 14 -6.026 8.133 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.756 8.914 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.756 9.031 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.787 7.081 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.924 7.456 -8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.067 6.093 -8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.197 7.573 -10.552 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.577 6.607 -9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.090 8.308 -9.199 1.00 0.00 H new ATOM 164 N PRO A 15 -9.950 6.896 -6.206 1.00 0.00 N ATOM 165 CA PRO A 15 -10.692 5.743 -5.688 1.00 0.00 C ATOM 166 C PRO A 15 -11.244 4.860 -6.801 1.00 0.00 C ATOM 167 O PRO A 15 -11.491 5.327 -7.913 1.00 0.00 O ATOM 168 CB PRO A 15 -11.836 6.384 -4.897 1.00 0.00 C ATOM 169 CG PRO A 15 -12.025 7.723 -5.522 1.00 0.00 C ATOM 170 CD PRO A 15 -10.661 8.165 -5.974 1.00 0.00 C ATOM 0 HA PRO A 15 -10.059 5.086 -5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.745 5.786 -4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.586 6.472 -3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.716 7.667 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.448 8.430 -4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.714 8.767 -6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.164 8.771 -5.217 1.00 0.00 H new ATOM 178 N GLY A 16 -11.437 3.580 -6.496 1.00 0.00 N ATOM 179 CA GLY A 16 -11.959 2.652 -7.482 1.00 0.00 C ATOM 180 C GLY A 16 -10.899 2.194 -8.464 1.00 0.00 C ATOM 181 O GLY A 16 -10.879 1.031 -8.866 1.00 0.00 O ATOM 0 H GLY A 16 -11.241 3.169 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.378 1.784 -6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.775 3.127 -8.027 1.00 0.00 H new ATOM 185 N GLN A 17 -10.018 3.110 -8.852 1.00 0.00 N ATOM 186 CA GLN A 17 -8.953 2.793 -9.796 1.00 0.00 C ATOM 187 C GLN A 17 -7.602 2.731 -9.091 1.00 0.00 C ATOM 188 O GLN A 17 -7.212 3.668 -8.395 1.00 0.00 O ATOM 189 CB GLN A 17 -8.909 3.832 -10.917 1.00 0.00 C ATOM 190 CG GLN A 17 -10.284 4.295 -11.371 1.00 0.00 C ATOM 191 CD GLN A 17 -10.221 5.237 -12.557 1.00 0.00 C ATOM 192 OE1 GLN A 17 -9.482 5.002 -13.513 1.00 0.00 O ATOM 193 NE2 GLN A 17 -10.998 6.313 -12.501 1.00 0.00 N ATOM 0 H GLN A 17 -10.021 4.077 -8.528 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.164 1.814 -10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.337 4.696 -10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.376 3.412 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.887 3.426 -11.634 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.787 4.793 -10.542 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.595 6.469 -11.689 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.997 6.983 -13.270 1.00 0.00 H new ATOM 202 N GLU A 18 -6.892 1.622 -9.277 1.00 0.00 N ATOM 203 CA GLU A 18 -5.585 1.439 -8.657 1.00 0.00 C ATOM 204 C GLU A 18 -4.613 2.527 -9.106 1.00 0.00 C ATOM 205 O GLU A 18 -4.484 2.805 -10.297 1.00 0.00 O ATOM 206 CB GLU A 18 -5.020 0.060 -9.004 1.00 0.00 C ATOM 207 CG GLU A 18 -5.399 -1.021 -8.006 1.00 0.00 C ATOM 208 CD GLU A 18 -5.263 -2.418 -8.579 1.00 0.00 C ATOM 209 OE1 GLU A 18 -4.118 -2.904 -8.694 1.00 0.00 O ATOM 210 OE2 GLU A 18 -6.301 -3.025 -8.914 1.00 0.00 O ATOM 0 H GLU A 18 -7.200 0.838 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.710 1.511 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.374 -0.230 -9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.933 0.126 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.767 -0.932 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.427 -0.865 -7.680 1.00 0.00 H new ATOM 217 N MET A 19 -3.933 3.138 -8.142 1.00 0.00 N ATOM 218 CA MET A 19 -2.972 4.195 -8.437 1.00 0.00 C ATOM 219 C MET A 19 -1.642 3.930 -7.741 1.00 0.00 C ATOM 220 O MET A 19 -1.571 3.144 -6.796 1.00 0.00 O ATOM 221 CB MET A 19 -3.527 5.554 -8.003 1.00 0.00 C ATOM 222 CG MET A 19 -3.930 5.606 -6.539 1.00 0.00 C ATOM 223 SD MET A 19 -2.570 6.093 -5.460 1.00 0.00 S ATOM 224 CE MET A 19 -2.100 7.657 -6.194 1.00 0.00 C ATOM 0 H MET A 19 -4.029 2.920 -7.150 1.00 0.00 H new ATOM 0 HA MET A 19 -2.802 4.207 -9.514 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.776 6.321 -8.192 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.393 5.797 -8.619 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.754 6.309 -6.418 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.299 4.627 -6.233 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.986 8.407 -5.411 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.155 7.540 -6.725 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.872 7.977 -6.894 1.00 0.00 H new ATOM 234 N ILE A 20 -0.590 4.590 -8.214 1.00 0.00 N ATOM 235 CA ILE A 20 0.738 4.426 -7.635 1.00 0.00 C ATOM 236 C ILE A 20 1.225 5.723 -6.999 1.00 0.00 C ATOM 237 O ILE A 20 0.849 6.815 -7.426 1.00 0.00 O ATOM 238 CB ILE A 20 1.760 3.970 -8.693 1.00 0.00 C ATOM 239 CG1 ILE A 20 1.503 2.515 -9.089 1.00 0.00 C ATOM 240 CG2 ILE A 20 3.178 4.139 -8.167 1.00 0.00 C ATOM 241 CD1 ILE A 20 0.533 2.364 -10.240 1.00 0.00 C ATOM 0 H ILE A 20 -0.631 5.243 -8.996 1.00 0.00 H new ATOM 0 HA ILE A 20 0.655 3.657 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 20 1.645 4.593 -9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.450 2.048 -9.359 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.116 1.975 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.889 3.813 -8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.356 5.188 -7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.306 3.538 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.399 1.306 -10.466 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.427 2.801 -9.966 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.928 2.875 -11.118 1.00 0.00 H new ATOM 253 N ILE A 21 2.066 5.596 -5.978 1.00 0.00 N ATOM 254 CA ILE A 21 2.607 6.758 -5.285 1.00 0.00 C ATOM 255 C ILE A 21 4.114 6.632 -5.094 1.00 0.00 C ATOM 256 O ILE A 21 4.617 5.568 -4.732 1.00 0.00 O ATOM 257 CB ILE A 21 1.941 6.955 -3.910 1.00 0.00 C ATOM 258 CG1 ILE A 21 1.738 5.604 -3.220 1.00 0.00 C ATOM 259 CG2 ILE A 21 0.614 7.682 -4.063 1.00 0.00 C ATOM 260 CD1 ILE A 21 1.081 5.713 -1.862 1.00 0.00 C ATOM 0 H ILE A 21 2.387 4.700 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 21 2.394 7.625 -5.910 1.00 0.00 H new ATOM 0 HB ILE A 21 2.597 7.565 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.128 4.966 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.705 5.113 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.156 7.813 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.784 8.658 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.051 7.096 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.968 4.718 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.701 6.324 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.100 6.175 -1.969 1.00 0.00 H new ATOM 272 N GLU A 22 4.830 7.725 -5.338 1.00 0.00 N ATOM 273 CA GLU A 22 6.281 7.736 -5.191 1.00 0.00 C ATOM 274 C GLU A 22 6.711 8.719 -4.107 1.00 0.00 C ATOM 275 O GLU A 22 6.358 9.899 -4.148 1.00 0.00 O ATOM 276 CB GLU A 22 6.947 8.102 -6.520 1.00 0.00 C ATOM 277 CG GLU A 22 7.258 6.900 -7.395 1.00 0.00 C ATOM 278 CD GLU A 22 6.049 6.414 -8.171 1.00 0.00 C ATOM 279 OE1 GLU A 22 4.913 6.716 -7.749 1.00 0.00 O ATOM 280 OE2 GLU A 22 6.239 5.732 -9.199 1.00 0.00 O ATOM 0 H GLU A 22 4.429 8.614 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 22 6.598 6.736 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.295 8.781 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.872 8.642 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.053 7.160 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.635 6.089 -6.771 1.00 0.00 H new ATOM 287 N ILE A 23 7.474 8.226 -3.138 1.00 0.00 N ATOM 288 CA ILE A 23 7.952 9.060 -2.042 1.00 0.00 C ATOM 289 C ILE A 23 9.476 9.086 -1.997 1.00 0.00 C ATOM 290 O ILE A 23 10.126 8.041 -2.003 1.00 0.00 O ATOM 291 CB ILE A 23 7.418 8.567 -0.684 1.00 0.00 C ATOM 292 CG1 ILE A 23 5.888 8.526 -0.698 1.00 0.00 C ATOM 293 CG2 ILE A 23 7.919 9.463 0.438 1.00 0.00 C ATOM 294 CD1 ILE A 23 5.292 7.814 0.495 1.00 0.00 C ATOM 0 H ILE A 23 7.775 7.253 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 23 7.578 10.067 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 23 7.788 7.557 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.506 9.546 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.554 8.031 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.533 9.102 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.009 9.447 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.574 10.483 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.205 7.824 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.645 6.783 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.596 8.321 1.411 1.00 0.00 H new ATOM 306 N SER A 24 10.041 10.289 -1.949 1.00 0.00 N ATOM 307 CA SER A 24 11.489 10.452 -1.904 1.00 0.00 C ATOM 308 C SER A 24 11.988 10.484 -0.462 1.00 0.00 C ATOM 309 O SER A 24 11.819 11.478 0.244 1.00 0.00 O ATOM 310 CB SER A 24 11.901 11.737 -2.626 1.00 0.00 C ATOM 311 OG SER A 24 13.312 11.858 -2.685 1.00 0.00 O ATOM 0 H SER A 24 9.518 11.164 -1.940 1.00 0.00 H new ATOM 0 HA SER A 24 11.942 9.598 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.490 11.739 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.480 12.599 -2.109 1.00 0.00 H new ATOM 0 HG SER A 24 13.550 12.686 -3.152 1.00 0.00 H new ATOM 317 N LYS A 25 12.603 9.387 -0.032 1.00 0.00 N ATOM 318 CA LYS A 25 13.128 9.287 1.325 1.00 0.00 C ATOM 319 C LYS A 25 13.948 10.522 1.684 1.00 0.00 C ATOM 320 O LYS A 25 14.140 11.413 0.857 1.00 0.00 O ATOM 321 CB LYS A 25 13.989 8.030 1.468 1.00 0.00 C ATOM 322 CG LYS A 25 13.194 6.737 1.407 1.00 0.00 C ATOM 323 CD LYS A 25 13.941 5.591 2.068 1.00 0.00 C ATOM 324 CE LYS A 25 13.369 4.243 1.658 1.00 0.00 C ATOM 325 NZ LYS A 25 13.828 3.149 2.558 1.00 0.00 N ATOM 0 H LYS A 25 12.750 8.555 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 25 12.284 9.222 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.740 8.022 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.525 8.073 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.232 6.877 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.986 6.485 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.996 5.638 1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.886 5.696 3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.280 4.291 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.666 4.019 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.544 2.231 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.864 3.183 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.397 3.268 3.497 1.00 0.00 H new ATOM 381 N GLY A 29 14.749 8.026 6.181 1.00 0.00 N ATOM 382 CA GLY A 29 13.992 7.075 5.387 1.00 0.00 C ATOM 383 C GLY A 29 12.505 7.138 5.670 1.00 0.00 C ATOM 384 O GLY A 29 11.980 8.187 6.045 1.00 0.00 O ATOM 0 HA2 GLY A 29 14.166 7.270 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.355 6.067 5.589 1.00 0.00 H new ATOM 388 N LEU A 30 11.822 6.013 5.488 1.00 0.00 N ATOM 389 CA LEU A 30 10.384 5.944 5.725 1.00 0.00 C ATOM 390 C LEU A 30 10.087 5.607 7.183 1.00 0.00 C ATOM 391 O LEU A 30 10.851 4.896 7.834 1.00 0.00 O ATOM 392 CB LEU A 30 9.746 4.899 4.808 1.00 0.00 C ATOM 393 CG LEU A 30 10.108 4.996 3.326 1.00 0.00 C ATOM 394 CD1 LEU A 30 9.528 3.819 2.556 1.00 0.00 C ATOM 395 CD2 LEU A 30 9.615 6.312 2.741 1.00 0.00 C ATOM 0 H LEU A 30 12.241 5.136 5.177 1.00 0.00 H new ATOM 0 HA LEU A 30 9.957 6.922 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.029 3.909 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.663 4.975 4.903 1.00 0.00 H new ATOM 0 HG LEU A 30 11.194 4.964 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.796 3.905 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.929 2.888 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.443 3.819 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.882 6.363 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.532 6.373 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.078 7.143 3.273 1.00 0.00 H new ATOM 407 N GLY A 31 8.970 6.122 7.688 1.00 0.00 N ATOM 408 CA GLY A 31 8.591 5.863 9.065 1.00 0.00 C ATOM 409 C GLY A 31 7.121 5.521 9.207 1.00 0.00 C ATOM 410 O GLY A 31 6.358 6.269 9.820 1.00 0.00 O ATOM 0 H GLY A 31 8.321 6.713 7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.191 5.041 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.817 6.740 9.672 1.00 0.00 H new ATOM 414 N LEU A 32 6.721 4.389 8.638 1.00 0.00 N ATOM 415 CA LEU A 32 5.332 3.950 8.702 1.00 0.00 C ATOM 416 C LEU A 32 5.235 2.525 9.238 1.00 0.00 C ATOM 417 O LEU A 32 6.240 1.927 9.624 1.00 0.00 O ATOM 418 CB LEU A 32 4.686 4.031 7.318 1.00 0.00 C ATOM 419 CG LEU A 32 5.469 3.388 6.173 1.00 0.00 C ATOM 420 CD1 LEU A 32 5.754 1.925 6.477 1.00 0.00 C ATOM 421 CD2 LEU A 32 4.707 3.524 4.863 1.00 0.00 C ATOM 0 H LEU A 32 7.339 3.759 8.127 1.00 0.00 H new ATOM 0 HA LEU A 32 4.799 4.612 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.704 3.560 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.524 5.081 7.076 1.00 0.00 H new ATOM 0 HG LEU A 32 6.421 3.909 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.312 1.484 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.341 1.851 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.813 1.390 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.279 3.061 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.740 3.029 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.555 4.580 4.638 1.00 0.00 H new ATOM 433 N SER A 33 4.020 1.986 9.257 1.00 0.00 N ATOM 434 CA SER A 33 3.792 0.631 9.747 1.00 0.00 C ATOM 435 C SER A 33 2.711 -0.068 8.928 1.00 0.00 C ATOM 436 O SER A 33 1.834 0.581 8.356 1.00 0.00 O ATOM 437 CB SER A 33 3.391 0.661 11.223 1.00 0.00 C ATOM 438 OG SER A 33 4.531 0.613 12.062 1.00 0.00 O ATOM 0 H SER A 33 3.178 2.467 8.939 1.00 0.00 H new ATOM 0 HA SER A 33 4.721 0.071 9.642 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.821 1.567 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.738 -0.184 11.443 1.00 0.00 H new ATOM 0 HG SER A 33 5.306 0.972 11.582 1.00 0.00 H new ATOM 444 N ILE A 34 2.782 -1.393 8.876 1.00 0.00 N ATOM 445 CA ILE A 34 1.809 -2.181 8.129 1.00 0.00 C ATOM 446 C ILE A 34 1.268 -3.330 8.972 1.00 0.00 C ATOM 447 O ILE A 34 1.678 -3.522 10.117 1.00 0.00 O ATOM 448 CB ILE A 34 2.421 -2.751 6.836 1.00 0.00 C ATOM 449 CG1 ILE A 34 3.670 -3.575 7.157 1.00 0.00 C ATOM 450 CG2 ILE A 34 2.757 -1.627 5.868 1.00 0.00 C ATOM 451 CD1 ILE A 34 3.996 -4.613 6.106 1.00 0.00 C ATOM 0 H ILE A 34 3.503 -1.944 9.342 1.00 0.00 H new ATOM 0 HA ILE A 34 0.991 -1.509 7.869 1.00 0.00 H new ATOM 0 HB ILE A 34 1.688 -3.405 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.521 -2.902 7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.530 -4.073 8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.189 -2.046 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.849 -1.078 5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.475 -0.950 6.332 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.893 -5.159 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.162 -5.309 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.168 -4.120 5.149 1.00 0.00 H new ATOM 463 N VAL A 35 0.345 -4.095 8.397 1.00 0.00 N ATOM 464 CA VAL A 35 -0.251 -5.229 9.095 1.00 0.00 C ATOM 465 C VAL A 35 -0.809 -6.248 8.109 1.00 0.00 C ATOM 466 O VAL A 35 -1.102 -5.921 6.960 1.00 0.00 O ATOM 467 CB VAL A 35 -1.379 -4.775 10.041 1.00 0.00 C ATOM 468 CG1 VAL A 35 -0.811 -4.372 11.394 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.166 -3.631 9.422 1.00 0.00 C ATOM 0 H VAL A 35 -0.006 -3.950 7.450 1.00 0.00 H new ATOM 0 HA VAL A 35 0.542 -5.692 9.683 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.060 -5.612 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.622 -4.054 12.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.296 -5.223 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.107 -3.550 11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.958 -3.323 10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.499 -2.789 9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.605 -3.959 8.480 1.00 0.00 H new ATOM 479 N GLY A 36 -0.955 -7.488 8.567 1.00 0.00 N ATOM 480 CA GLY A 36 -1.479 -8.538 7.713 1.00 0.00 C ATOM 481 C GLY A 36 -0.382 -9.326 7.024 1.00 0.00 C ATOM 482 O GLY A 36 0.782 -9.257 7.417 1.00 0.00 O ATOM 0 H GLY A 36 -0.720 -7.784 9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.090 -9.216 8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.133 -8.098 6.961 1.00 0.00 H new ATOM 486 N GLY A 37 -0.754 -10.078 5.993 1.00 0.00 N ATOM 487 CA GLY A 37 0.218 -10.873 5.265 1.00 0.00 C ATOM 488 C GLY A 37 -0.323 -12.233 4.870 1.00 0.00 C ATOM 489 O GLY A 37 -1.134 -12.344 3.950 1.00 0.00 O ATOM 0 H GLY A 37 -1.711 -10.151 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.526 -10.334 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.109 -11.004 5.880 1.00 0.00 H new ATOM 493 N LYS A 38 0.126 -13.272 5.566 1.00 0.00 N ATOM 494 CA LYS A 38 -0.317 -14.632 5.284 1.00 0.00 C ATOM 495 C LYS A 38 -0.986 -15.251 6.507 1.00 0.00 C ATOM 496 O LYS A 38 -2.207 -15.401 6.549 1.00 0.00 O ATOM 497 CB LYS A 38 0.868 -15.496 4.846 1.00 0.00 C ATOM 498 CG LYS A 38 1.242 -15.319 3.384 1.00 0.00 C ATOM 499 CD LYS A 38 2.705 -15.648 3.139 1.00 0.00 C ATOM 500 CE LYS A 38 3.005 -17.109 3.439 1.00 0.00 C ATOM 501 NZ LYS A 38 2.605 -17.999 2.314 1.00 0.00 N ATOM 0 H LYS A 38 0.797 -13.198 6.330 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.046 -14.589 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.732 -15.254 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.629 -16.544 5.027 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.615 -15.962 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.043 -14.292 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.960 -15.428 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.332 -15.011 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.071 -17.228 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.478 -17.409 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.826 -18.986 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.584 -17.905 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.126 -17.729 1.456 1.00 0.00 H new ATOM 515 N ASP A 39 -0.179 -15.606 7.501 1.00 0.00 N ATOM 516 CA ASP A 39 -0.694 -16.206 8.726 1.00 0.00 C ATOM 517 C ASP A 39 -1.697 -15.279 9.406 1.00 0.00 C ATOM 518 O ASP A 39 -2.450 -15.698 10.285 1.00 0.00 O ATOM 519 CB ASP A 39 0.455 -16.526 9.684 1.00 0.00 C ATOM 520 CG ASP A 39 0.107 -17.638 10.654 1.00 0.00 C ATOM 521 OD1 ASP A 39 -1.078 -18.028 10.711 1.00 0.00 O ATOM 522 OD2 ASP A 39 1.021 -18.119 11.356 1.00 0.00 O ATOM 0 H ASP A 39 0.834 -15.489 7.482 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.205 -17.132 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.335 -16.812 9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.718 -15.629 10.244 1.00 0.00 H new ATOM 527 N THR A 40 -1.700 -14.015 8.994 1.00 0.00 N ATOM 528 CA THR A 40 -2.608 -13.028 9.564 1.00 0.00 C ATOM 529 C THR A 40 -4.041 -13.267 9.102 1.00 0.00 C ATOM 530 O THR A 40 -4.290 -13.897 8.074 1.00 0.00 O ATOM 531 CB THR A 40 -2.191 -11.595 9.183 1.00 0.00 C ATOM 532 OG1 THR A 40 -1.619 -11.583 7.870 1.00 0.00 O ATOM 533 CG2 THR A 40 -1.188 -11.039 10.183 1.00 0.00 C ATOM 0 H THR A 40 -1.083 -13.651 8.267 1.00 0.00 H new ATOM 0 HA THR A 40 -2.555 -13.139 10.647 1.00 0.00 H new ATOM 0 HB THR A 40 -3.081 -10.966 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.335 -11.595 7.201 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.908 -10.026 9.893 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.636 -11.021 11.176 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.300 -11.671 10.197 1.00 0.00 H new ATOM 541 N PRO A 41 -5.007 -12.753 9.878 1.00 0.00 N ATOM 542 CA PRO A 41 -6.432 -12.898 9.567 1.00 0.00 C ATOM 543 C PRO A 41 -6.844 -12.084 8.345 1.00 0.00 C ATOM 544 O PRO A 41 -8.018 -12.056 7.972 1.00 0.00 O ATOM 545 CB PRO A 41 -7.125 -12.364 10.824 1.00 0.00 C ATOM 546 CG PRO A 41 -6.140 -11.425 11.429 1.00 0.00 C ATOM 547 CD PRO A 41 -4.782 -11.991 11.118 1.00 0.00 C ATOM 0 HA PRO A 41 -6.694 -13.928 9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.057 -11.855 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.376 -13.172 11.511 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.250 -10.423 11.013 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.291 -11.342 12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.041 -11.204 10.977 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.419 -12.630 11.923 1.00 0.00 H new ATOM 555 N LEU A 42 -5.873 -11.422 7.726 1.00 0.00 N ATOM 556 CA LEU A 42 -6.135 -10.607 6.544 1.00 0.00 C ATOM 557 C LEU A 42 -5.067 -10.833 5.479 1.00 0.00 C ATOM 558 O LEU A 42 -3.883 -10.600 5.715 1.00 0.00 O ATOM 559 CB LEU A 42 -6.189 -9.126 6.924 1.00 0.00 C ATOM 560 CG LEU A 42 -5.060 -8.624 7.825 1.00 0.00 C ATOM 561 CD1 LEU A 42 -4.877 -7.123 7.664 1.00 0.00 C ATOM 562 CD2 LEU A 42 -5.342 -8.975 9.279 1.00 0.00 C ATOM 0 H LEU A 42 -4.897 -11.433 8.022 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.099 -10.906 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.186 -8.536 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.139 -8.934 7.423 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.135 -9.117 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.070 -6.783 8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.630 -6.896 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.801 -6.613 7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.528 -8.610 9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.277 -8.510 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.423 -10.057 9.383 1.00 0.00 H new ATOM 574 N ASN A 43 -5.496 -11.286 4.306 1.00 0.00 N ATOM 575 CA ASN A 43 -4.576 -11.542 3.203 1.00 0.00 C ATOM 576 C ASN A 43 -4.313 -10.267 2.408 1.00 0.00 C ATOM 577 O ASN A 43 -3.960 -10.320 1.230 1.00 0.00 O ATOM 578 CB ASN A 43 -5.142 -12.624 2.280 1.00 0.00 C ATOM 579 CG ASN A 43 -4.053 -13.405 1.570 1.00 0.00 C ATOM 580 OD1 ASN A 43 -4.042 -14.718 1.767 1.00 0.00 O flip ATOM 581 ND2 ASN A 43 -3.231 -12.834 0.853 1.00 0.00 N flip ATOM 0 H ASN A 43 -6.474 -11.483 4.094 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.632 -11.889 3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.756 -13.310 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.795 -12.161 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.277 -11.823 0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.504 -13.372 0.382 1.00 0.00 H new ATOM 588 N ALA A 44 -4.486 -9.122 3.061 1.00 0.00 N ATOM 589 CA ALA A 44 -4.264 -7.834 2.416 1.00 0.00 C ATOM 590 C ALA A 44 -3.511 -6.881 3.338 1.00 0.00 C ATOM 591 O ALA A 44 -3.968 -6.579 4.441 1.00 0.00 O ATOM 592 CB ALA A 44 -5.590 -7.222 1.991 1.00 0.00 C ATOM 0 H ALA A 44 -4.779 -9.061 4.036 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.652 -8.000 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.410 -6.260 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.091 -7.890 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.221 -7.077 2.868 1.00 0.00 H new ATOM 598 N ILE A 45 -2.355 -6.412 2.880 1.00 0.00 N ATOM 599 CA ILE A 45 -1.540 -5.493 3.665 1.00 0.00 C ATOM 600 C ILE A 45 -2.276 -4.182 3.917 1.00 0.00 C ATOM 601 O ILE A 45 -2.960 -3.663 3.035 1.00 0.00 O ATOM 602 CB ILE A 45 -0.201 -5.191 2.966 1.00 0.00 C ATOM 603 CG1 ILE A 45 0.492 -6.493 2.558 1.00 0.00 C ATOM 604 CG2 ILE A 45 0.698 -4.369 3.876 1.00 0.00 C ATOM 605 CD1 ILE A 45 0.928 -7.339 3.734 1.00 0.00 C ATOM 0 H ILE A 45 -1.962 -6.653 1.970 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.341 -5.983 4.618 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.401 -4.611 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.185 -7.075 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.364 -6.256 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.640 -4.164 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.205 -3.428 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.894 -4.925 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.411 -8.246 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.630 -6.775 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.057 -7.607 4.332 1.00 0.00 H new ATOM 617 N VAL A 46 -2.130 -3.650 5.126 1.00 0.00 N ATOM 618 CA VAL A 46 -2.779 -2.397 5.493 1.00 0.00 C ATOM 619 C VAL A 46 -1.841 -1.509 6.303 1.00 0.00 C ATOM 620 O VAL A 46 -1.135 -1.984 7.193 1.00 0.00 O ATOM 621 CB VAL A 46 -4.062 -2.648 6.309 1.00 0.00 C ATOM 622 CG1 VAL A 46 -4.863 -1.363 6.452 1.00 0.00 C ATOM 623 CG2 VAL A 46 -4.900 -3.739 5.661 1.00 0.00 C ATOM 0 H VAL A 46 -1.568 -4.067 5.868 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.041 -1.892 4.563 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.778 -2.984 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.765 -1.559 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.260 -0.613 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.139 -0.994 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.802 -3.903 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.176 -3.434 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.323 -4.663 5.616 1.00 0.00 H new ATOM 633 N ILE A 47 -1.838 -0.219 5.987 1.00 0.00 N ATOM 634 CA ILE A 47 -0.987 0.737 6.686 1.00 0.00 C ATOM 635 C ILE A 47 -1.524 1.031 8.083 1.00 0.00 C ATOM 636 O ILE A 47 -2.400 1.879 8.258 1.00 0.00 O ATOM 637 CB ILE A 47 -0.866 2.059 5.906 1.00 0.00 C ATOM 638 CG1 ILE A 47 -0.226 1.812 4.538 1.00 0.00 C ATOM 639 CG2 ILE A 47 -0.055 3.071 6.701 1.00 0.00 C ATOM 640 CD1 ILE A 47 -0.004 3.077 3.738 1.00 0.00 C ATOM 0 H ILE A 47 -2.415 0.189 5.252 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.000 0.281 6.767 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.866 2.465 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.730 1.308 4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.861 1.136 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.022 4.000 6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.548 3.265 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.944 2.674 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.452 2.826 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.960 3.571 3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.656 3.746 4.291 1.00 0.00 H new ATOM 652 N HIS A 48 -0.991 0.326 9.076 1.00 0.00 N ATOM 653 CA HIS A 48 -1.414 0.513 10.459 1.00 0.00 C ATOM 654 C HIS A 48 -1.317 1.982 10.863 1.00 0.00 C ATOM 655 O HIS A 48 -2.332 2.650 11.054 1.00 0.00 O ATOM 656 CB HIS A 48 -0.561 -0.342 11.396 1.00 0.00 C ATOM 657 CG HIS A 48 -0.992 -0.273 12.829 1.00 0.00 C ATOM 658 ND1 HIS A 48 -1.579 0.725 13.530 1.00 0.00 N flip ATOM 659 CD2 HIS A 48 -0.831 -1.318 13.714 1.00 0.00 C flip ATOM 660 CE1 HIS A 48 -1.761 0.270 14.812 1.00 0.00 C flip ATOM 661 NE2 HIS A 48 -1.302 -0.966 14.897 1.00 0.00 N flip ATOM 0 H HIS A 48 -0.266 -0.380 8.949 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.455 0.199 10.540 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.599 -1.379 11.063 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.478 -0.021 11.322 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.389 -2.275 13.477 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.207 0.831 15.620 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.310 -1.549 15.734 1.00 0.00 H new ATOM 670 N GLU A 49 -0.090 2.476 10.991 1.00 0.00 N ATOM 671 CA GLU A 49 0.138 3.864 11.374 1.00 0.00 C ATOM 672 C GLU A 49 1.296 4.464 10.582 1.00 0.00 C ATOM 673 O GLU A 49 2.280 3.784 10.287 1.00 0.00 O ATOM 674 CB GLU A 49 0.426 3.962 12.874 1.00 0.00 C ATOM 675 CG GLU A 49 0.448 5.389 13.397 1.00 0.00 C ATOM 676 CD GLU A 49 0.137 5.471 14.879 1.00 0.00 C ATOM 677 OE1 GLU A 49 -0.980 5.076 15.272 1.00 0.00 O ATOM 678 OE2 GLU A 49 1.010 5.931 15.644 1.00 0.00 O ATOM 0 H GLU A 49 0.761 1.936 10.835 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.766 4.430 11.147 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.330 3.396 13.418 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.387 3.493 13.082 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.429 5.825 13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.277 5.986 12.844 1.00 0.00 H new ATOM 685 N VAL A 50 1.173 5.742 10.240 1.00 0.00 N ATOM 686 CA VAL A 50 2.208 6.435 9.482 1.00 0.00 C ATOM 687 C VAL A 50 2.896 7.495 10.335 1.00 0.00 C ATOM 688 O VAL A 50 2.561 8.678 10.263 1.00 0.00 O ATOM 689 CB VAL A 50 1.630 7.102 8.220 1.00 0.00 C ATOM 690 CG1 VAL A 50 2.732 7.778 7.420 1.00 0.00 C ATOM 691 CG2 VAL A 50 0.891 6.080 7.369 1.00 0.00 C ATOM 0 H VAL A 50 0.366 6.319 10.476 1.00 0.00 H new ATOM 0 HA VAL A 50 2.938 5.683 9.183 1.00 0.00 H new ATOM 0 HB VAL A 50 0.918 7.867 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.304 8.243 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.212 8.540 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.471 7.036 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.489 6.568 6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.580 5.291 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.074 5.648 7.947 1.00 0.00 H new ATOM 701 N TYR A 51 3.860 7.064 11.141 1.00 0.00 N ATOM 702 CA TYR A 51 4.594 7.976 12.009 1.00 0.00 C ATOM 703 C TYR A 51 4.970 9.254 11.265 1.00 0.00 C ATOM 704 O TYR A 51 5.630 9.209 10.227 1.00 0.00 O ATOM 705 CB TYR A 51 5.855 7.298 12.547 1.00 0.00 C ATOM 706 CG TYR A 51 5.625 5.880 13.019 1.00 0.00 C ATOM 707 CD1 TYR A 51 4.796 5.613 14.102 1.00 0.00 C ATOM 708 CD2 TYR A 51 6.237 4.807 12.384 1.00 0.00 C ATOM 709 CE1 TYR A 51 4.583 4.320 14.537 1.00 0.00 C ATOM 710 CE2 TYR A 51 6.029 3.510 12.811 1.00 0.00 C ATOM 711 CZ TYR A 51 5.201 3.271 13.888 1.00 0.00 C ATOM 712 OH TYR A 51 4.992 1.981 14.318 1.00 0.00 O ATOM 0 H TYR A 51 4.151 6.089 11.211 1.00 0.00 H new ATOM 0 HA TYR A 51 3.946 8.240 12.845 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.616 7.293 11.767 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.250 7.888 13.374 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.310 6.431 14.612 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.887 4.990 11.541 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.936 4.131 15.381 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.512 2.688 12.304 1.00 0.00 H new ATOM 0 HH TYR A 51 4.719 1.424 13.560 1.00 0.00 H new ATOM 722 N GLU A 52 4.543 10.392 11.803 1.00 0.00 N ATOM 723 CA GLU A 52 4.834 11.683 11.190 1.00 0.00 C ATOM 724 C GLU A 52 6.317 11.801 10.849 1.00 0.00 C ATOM 725 O GLU A 52 6.679 12.219 9.750 1.00 0.00 O ATOM 726 CB GLU A 52 4.422 12.821 12.126 1.00 0.00 C ATOM 727 CG GLU A 52 5.010 12.705 13.522 1.00 0.00 C ATOM 728 CD GLU A 52 4.242 13.515 14.548 1.00 0.00 C ATOM 729 OE1 GLU A 52 3.848 14.656 14.228 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.035 13.009 15.670 1.00 0.00 O ATOM 0 H GLU A 52 3.995 10.446 12.661 1.00 0.00 H new ATOM 0 HA GLU A 52 4.260 11.756 10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.732 13.770 11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.335 12.844 12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.017 11.657 13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.048 13.039 13.504 1.00 0.00 H new ATOM 737 N GLU A 53 7.169 11.431 11.800 1.00 0.00 N ATOM 738 CA GLU A 53 8.612 11.497 11.601 1.00 0.00 C ATOM 739 C GLU A 53 9.020 10.758 10.330 1.00 0.00 C ATOM 740 O GLU A 53 10.061 11.044 9.740 1.00 0.00 O ATOM 741 CB GLU A 53 9.343 10.903 12.807 1.00 0.00 C ATOM 742 CG GLU A 53 8.955 11.542 14.129 1.00 0.00 C ATOM 743 CD GLU A 53 9.465 12.965 14.261 1.00 0.00 C ATOM 744 OE1 GLU A 53 10.619 13.144 14.703 1.00 0.00 O ATOM 745 OE2 GLU A 53 8.708 13.899 13.923 1.00 0.00 O ATOM 0 H GLU A 53 6.885 11.083 12.716 1.00 0.00 H new ATOM 0 HA GLU A 53 8.891 12.545 11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.137 9.834 12.856 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.417 11.014 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.869 11.539 14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.349 10.941 14.948 1.00 0.00 H new ATOM 752 N GLY A 54 8.191 9.805 9.914 1.00 0.00 N ATOM 753 CA GLY A 54 8.482 9.039 8.716 1.00 0.00 C ATOM 754 C GLY A 54 8.346 9.865 7.453 1.00 0.00 C ATOM 755 O GLY A 54 7.398 10.636 7.306 1.00 0.00 O ATOM 0 H GLY A 54 7.323 9.550 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.495 8.642 8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.808 8.184 8.662 1.00 0.00 H new ATOM 759 N ALA A 55 9.298 9.706 6.538 1.00 0.00 N ATOM 760 CA ALA A 55 9.280 10.442 5.281 1.00 0.00 C ATOM 761 C ALA A 55 7.936 10.293 4.576 1.00 0.00 C ATOM 762 O ALA A 55 7.424 11.245 3.987 1.00 0.00 O ATOM 763 CB ALA A 55 10.408 9.970 4.376 1.00 0.00 C ATOM 0 H ALA A 55 10.091 9.074 6.645 1.00 0.00 H new ATOM 0 HA ALA A 55 9.427 11.498 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.382 10.529 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.365 10.135 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.286 8.907 4.167 1.00 0.00 H new ATOM 769 N ALA A 56 7.370 9.093 4.640 1.00 0.00 N ATOM 770 CA ALA A 56 6.084 8.819 4.009 1.00 0.00 C ATOM 771 C ALA A 56 5.013 9.784 4.506 1.00 0.00 C ATOM 772 O ALA A 56 4.064 10.097 3.787 1.00 0.00 O ATOM 773 CB ALA A 56 5.664 7.381 4.269 1.00 0.00 C ATOM 0 H ALA A 56 7.781 8.294 5.123 1.00 0.00 H new ATOM 0 HA ALA A 56 6.196 8.964 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.702 7.191 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.413 6.703 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.575 7.216 5.343 1.00 0.00 H new ATOM 779 N ALA A 57 5.171 10.252 5.740 1.00 0.00 N ATOM 780 CA ALA A 57 4.217 11.182 6.332 1.00 0.00 C ATOM 781 C ALA A 57 4.350 12.571 5.716 1.00 0.00 C ATOM 782 O ALA A 57 3.369 13.150 5.250 1.00 0.00 O ATOM 783 CB ALA A 57 4.413 11.250 7.839 1.00 0.00 C ATOM 0 H ALA A 57 5.950 10.002 6.349 1.00 0.00 H new ATOM 0 HA ALA A 57 3.212 10.815 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.694 11.948 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.261 10.261 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.425 11.590 8.059 1.00 0.00 H new ATOM 789 N ARG A 58 5.569 13.099 5.718 1.00 0.00 N ATOM 790 CA ARG A 58 5.829 14.421 5.161 1.00 0.00 C ATOM 791 C ARG A 58 5.031 14.638 3.879 1.00 0.00 C ATOM 792 O ARG A 58 4.385 15.671 3.705 1.00 0.00 O ATOM 793 CB ARG A 58 7.323 14.595 4.880 1.00 0.00 C ATOM 794 CG ARG A 58 8.196 14.452 6.116 1.00 0.00 C ATOM 795 CD ARG A 58 8.266 15.752 6.902 1.00 0.00 C ATOM 796 NE ARG A 58 7.042 16.000 7.659 1.00 0.00 N ATOM 797 CZ ARG A 58 6.839 17.090 8.391 1.00 0.00 C ATOM 798 NH1 ARG A 58 7.774 18.027 8.464 1.00 0.00 N ATOM 799 NH2 ARG A 58 5.699 17.244 9.052 1.00 0.00 N ATOM 0 H ARG A 58 6.392 12.632 6.099 1.00 0.00 H new ATOM 0 HA ARG A 58 5.515 15.164 5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.633 13.858 4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.489 15.578 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.800 13.661 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.201 14.150 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.114 15.717 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.443 16.581 6.217 1.00 0.00 H new ATOM 0 HE ARG A 58 6.303 15.298 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.652 17.912 7.957 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.616 18.863 9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.977 16.525 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.544 18.081 9.614 1.00 0.00 H new ATOM 813 N ASP A 59 5.081 13.657 2.984 1.00 0.00 N ATOM 814 CA ASP A 59 4.362 13.739 1.718 1.00 0.00 C ATOM 815 C ASP A 59 2.864 13.899 1.953 1.00 0.00 C ATOM 816 O ASP A 59 2.213 14.738 1.331 1.00 0.00 O ATOM 817 CB ASP A 59 4.628 12.492 0.874 1.00 0.00 C ATOM 818 CG ASP A 59 4.437 12.744 -0.609 1.00 0.00 C ATOM 819 OD1 ASP A 59 3.397 13.326 -0.982 1.00 0.00 O ATOM 820 OD2 ASP A 59 5.327 12.360 -1.396 1.00 0.00 O ATOM 0 H ASP A 59 5.612 12.796 3.112 1.00 0.00 H new ATOM 0 HA ASP A 59 4.723 14.616 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.646 12.147 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.960 11.692 1.193 1.00 0.00 H new ATOM 825 N GLY A 60 2.321 13.087 2.856 1.00 0.00 N ATOM 826 CA GLY A 60 0.903 13.154 3.156 1.00 0.00 C ATOM 827 C GLY A 60 0.051 12.511 2.079 1.00 0.00 C ATOM 828 O GLY A 60 -1.031 13.002 1.759 1.00 0.00 O ATOM 0 H GLY A 60 2.838 12.384 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.713 12.660 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.609 14.197 3.273 1.00 0.00 H new ATOM 832 N ARG A 61 0.542 11.411 1.517 1.00 0.00 N ATOM 833 CA ARG A 61 -0.181 10.702 0.468 1.00 0.00 C ATOM 834 C ARG A 61 -0.743 9.383 0.991 1.00 0.00 C ATOM 835 O ARG A 61 -1.774 8.904 0.517 1.00 0.00 O ATOM 836 CB ARG A 61 0.739 10.438 -0.725 1.00 0.00 C ATOM 837 CG ARG A 61 1.222 11.705 -1.413 1.00 0.00 C ATOM 838 CD ARG A 61 0.242 12.168 -2.479 1.00 0.00 C ATOM 839 NE ARG A 61 -0.933 12.813 -1.899 1.00 0.00 N ATOM 840 CZ ARG A 61 -0.969 14.093 -1.544 1.00 0.00 C ATOM 841 NH1 ARG A 61 0.099 14.860 -1.710 1.00 0.00 N ATOM 842 NH2 ARG A 61 -2.075 14.608 -1.023 1.00 0.00 N ATOM 0 H ARG A 61 1.437 10.992 1.770 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.012 11.330 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.603 9.866 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.211 9.819 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.356 12.494 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.197 11.525 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.742 12.864 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.072 11.313 -3.078 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.772 12.250 -1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.951 14.468 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.069 15.842 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.899 14.021 -0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.101 15.591 -0.751 1.00 0.00 H new ATOM 856 N LEU A 62 -0.059 8.801 1.970 1.00 0.00 N ATOM 857 CA LEU A 62 -0.490 7.537 2.557 1.00 0.00 C ATOM 858 C LEU A 62 -1.162 7.765 3.907 1.00 0.00 C ATOM 859 O LEU A 62 -0.541 8.265 4.845 1.00 0.00 O ATOM 860 CB LEU A 62 0.705 6.596 2.723 1.00 0.00 C ATOM 861 CG LEU A 62 1.134 5.830 1.470 1.00 0.00 C ATOM 862 CD1 LEU A 62 2.298 4.904 1.784 1.00 0.00 C ATOM 863 CD2 LEU A 62 -0.036 5.044 0.898 1.00 0.00 C ATOM 0 H LEU A 62 0.796 9.184 2.374 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.215 7.080 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.555 7.179 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.467 5.873 3.503 1.00 0.00 H new ATOM 0 HG LEU A 62 1.461 6.551 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.590 4.367 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.142 5.491 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.998 4.189 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.288 4.506 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.395 4.332 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.841 5.730 0.634 1.00 0.00 H new ATOM 875 N TRP A 63 -2.434 7.394 3.999 1.00 0.00 N ATOM 876 CA TRP A 63 -3.191 7.557 5.235 1.00 0.00 C ATOM 877 C TRP A 63 -3.398 6.213 5.926 1.00 0.00 C ATOM 878 O TRP A 63 -3.716 5.215 5.281 1.00 0.00 O ATOM 879 CB TRP A 63 -4.543 8.211 4.948 1.00 0.00 C ATOM 880 CG TRP A 63 -4.464 9.321 3.944 1.00 0.00 C ATOM 881 CD1 TRP A 63 -3.341 9.991 3.550 1.00 0.00 C ATOM 882 CD2 TRP A 63 -5.553 9.891 3.210 1.00 0.00 C ATOM 883 NE1 TRP A 63 -3.667 10.944 2.614 1.00 0.00 N ATOM 884 CE2 TRP A 63 -5.017 10.902 2.388 1.00 0.00 C ATOM 885 CE3 TRP A 63 -6.928 9.645 3.165 1.00 0.00 C ATOM 886 CZ2 TRP A 63 -5.809 11.665 1.534 1.00 0.00 C ATOM 887 CZ3 TRP A 63 -7.713 10.403 2.317 1.00 0.00 C ATOM 888 CH2 TRP A 63 -7.152 11.402 1.510 1.00 0.00 C ATOM 0 H TRP A 63 -2.963 6.978 3.232 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.618 8.203 5.900 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.236 7.452 4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.955 8.601 5.879 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -2.344 9.800 3.919 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -3.010 11.579 2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.369 8.876 3.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.379 12.437 0.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -8.777 10.222 2.276 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.792 11.976 0.856 1.00 0.00 H new ATOM 899 N ALA A 64 -3.217 6.196 7.243 1.00 0.00 N ATOM 900 CA ALA A 64 -3.388 4.976 8.021 1.00 0.00 C ATOM 901 C ALA A 64 -4.718 4.302 7.702 1.00 0.00 C ATOM 902 O ALA A 64 -5.779 4.781 8.099 1.00 0.00 O ATOM 903 CB ALA A 64 -3.292 5.281 9.509 1.00 0.00 C ATOM 0 H ALA A 64 -2.952 7.013 7.793 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.588 4.287 7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.422 4.360 10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.315 5.710 9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.071 5.991 9.786 1.00 0.00 H new ATOM 909 N GLY A 65 -4.653 3.187 6.980 1.00 0.00 N ATOM 910 CA GLY A 65 -5.860 2.466 6.619 1.00 0.00 C ATOM 911 C GLY A 65 -5.859 2.024 5.169 1.00 0.00 C ATOM 912 O GLY A 65 -6.673 1.194 4.766 1.00 0.00 O ATOM 0 H GLY A 65 -3.787 2.771 6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.964 1.592 7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.727 3.101 6.802 1.00 0.00 H new ATOM 916 N ASP A 66 -4.945 2.582 4.383 1.00 0.00 N ATOM 917 CA ASP A 66 -4.842 2.242 2.969 1.00 0.00 C ATOM 918 C ASP A 66 -4.435 0.783 2.789 1.00 0.00 C ATOM 919 O ASP A 66 -3.939 0.149 3.720 1.00 0.00 O ATOM 920 CB ASP A 66 -3.831 3.155 2.275 1.00 0.00 C ATOM 921 CG ASP A 66 -4.118 3.318 0.795 1.00 0.00 C ATOM 922 OD1 ASP A 66 -5.182 2.847 0.341 1.00 0.00 O ATOM 923 OD2 ASP A 66 -3.278 3.916 0.090 1.00 0.00 O ATOM 0 H ASP A 66 -4.265 3.272 4.701 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.822 2.386 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.841 4.134 2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.829 2.747 2.405 1.00 0.00 H new ATOM 928 N GLN A 67 -4.651 0.257 1.588 1.00 0.00 N ATOM 929 CA GLN A 67 -4.308 -1.128 1.288 1.00 0.00 C ATOM 930 C GLN A 67 -3.275 -1.203 0.168 1.00 0.00 C ATOM 931 O GLN A 67 -3.540 -0.794 -0.962 1.00 0.00 O ATOM 932 CB GLN A 67 -5.561 -1.912 0.894 1.00 0.00 C ATOM 933 CG GLN A 67 -6.288 -2.531 2.077 1.00 0.00 C ATOM 934 CD GLN A 67 -7.641 -3.100 1.698 1.00 0.00 C ATOM 935 OE1 GLN A 67 -8.682 -2.577 2.098 1.00 0.00 O ATOM 936 NE2 GLN A 67 -7.634 -4.177 0.922 1.00 0.00 N ATOM 0 H GLN A 67 -5.062 0.769 0.807 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.877 -1.571 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.244 -1.247 0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.281 -2.701 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.672 -3.323 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.420 -1.777 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.748 -4.578 0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.515 -4.604 0.634 1.00 0.00 H new ATOM 945 N ILE A 68 -2.097 -1.727 0.491 1.00 0.00 N ATOM 946 CA ILE A 68 -1.025 -1.856 -0.488 1.00 0.00 C ATOM 947 C ILE A 68 -1.183 -3.129 -1.313 1.00 0.00 C ATOM 948 O ILE A 68 -1.776 -4.108 -0.856 1.00 0.00 O ATOM 949 CB ILE A 68 0.358 -1.866 0.190 1.00 0.00 C ATOM 950 CG1 ILE A 68 0.507 -0.653 1.110 1.00 0.00 C ATOM 951 CG2 ILE A 68 1.461 -1.882 -0.858 1.00 0.00 C ATOM 952 CD1 ILE A 68 1.493 -0.867 2.238 1.00 0.00 C ATOM 0 H ILE A 68 -1.861 -2.069 1.423 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.093 -0.989 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 68 0.445 -2.769 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.825 0.205 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.467 -0.405 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.432 -1.889 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.362 -2.774 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.380 -0.994 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.547 0.034 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.165 -1.704 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.478 -1.085 1.824 1.00 0.00 H new ATOM 964 N LEU A 69 -0.649 -3.110 -2.529 1.00 0.00 N ATOM 965 CA LEU A 69 -0.729 -4.263 -3.418 1.00 0.00 C ATOM 966 C LEU A 69 0.660 -4.688 -3.885 1.00 0.00 C ATOM 967 O LEU A 69 0.903 -5.865 -4.149 1.00 0.00 O ATOM 968 CB LEU A 69 -1.609 -3.941 -4.626 1.00 0.00 C ATOM 969 CG LEU A 69 -3.085 -3.673 -4.329 1.00 0.00 C ATOM 970 CD1 LEU A 69 -3.767 -3.042 -5.533 1.00 0.00 C ATOM 971 CD2 LEU A 69 -3.791 -4.961 -3.929 1.00 0.00 C ATOM 0 H LEU A 69 -0.156 -2.308 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.174 -5.088 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.196 -3.067 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.545 -4.772 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.146 -2.974 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.816 -2.859 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.279 -2.098 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.696 -3.716 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.840 -4.751 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.719 -5.683 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.320 -5.372 -3.036 1.00 0.00 H new ATOM 983 N GLU A 70 1.567 -3.721 -3.982 1.00 0.00 N ATOM 984 CA GLU A 70 2.932 -3.996 -4.416 1.00 0.00 C ATOM 985 C GLU A 70 3.887 -2.909 -3.931 1.00 0.00 C ATOM 986 O GLU A 70 3.465 -1.803 -3.593 1.00 0.00 O ATOM 987 CB GLU A 70 2.994 -4.101 -5.942 1.00 0.00 C ATOM 988 CG GLU A 70 4.204 -4.868 -6.450 1.00 0.00 C ATOM 989 CD GLU A 70 4.061 -5.288 -7.900 1.00 0.00 C ATOM 990 OE1 GLU A 70 3.171 -6.115 -8.192 1.00 0.00 O ATOM 991 OE2 GLU A 70 4.838 -4.792 -8.741 1.00 0.00 O ATOM 0 H GLU A 70 1.382 -2.741 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 70 3.240 -4.947 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.088 -4.589 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.006 -3.097 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.094 -4.249 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.354 -5.753 -5.832 1.00 0.00 H new ATOM 998 N VAL A 71 5.175 -3.232 -3.899 1.00 0.00 N ATOM 999 CA VAL A 71 6.191 -2.284 -3.456 1.00 0.00 C ATOM 1000 C VAL A 71 7.484 -2.455 -4.246 1.00 0.00 C ATOM 1001 O VAL A 71 8.041 -3.550 -4.313 1.00 0.00 O ATOM 1002 CB VAL A 71 6.493 -2.447 -1.955 1.00 0.00 C ATOM 1003 CG1 VAL A 71 7.200 -3.768 -1.693 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.326 -1.278 -1.450 1.00 0.00 C ATOM 0 H VAL A 71 5.541 -4.143 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 71 5.791 -1.285 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 71 5.549 -2.453 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.405 -3.866 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.564 -4.592 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.138 -3.795 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.530 -1.409 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.267 -1.238 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.778 -0.348 -1.602 1.00 0.00 H new ATOM 1014 N ASN A 72 7.956 -1.365 -4.841 1.00 0.00 N ATOM 1015 CA ASN A 72 9.185 -1.394 -5.626 1.00 0.00 C ATOM 1016 C ASN A 72 9.180 -2.568 -6.600 1.00 0.00 C ATOM 1017 O ASN A 72 10.230 -3.114 -6.936 1.00 0.00 O ATOM 1018 CB ASN A 72 10.402 -1.487 -4.704 1.00 0.00 C ATOM 1019 CG ASN A 72 11.625 -0.810 -5.292 1.00 0.00 C ATOM 1020 OD1 ASN A 72 11.614 0.517 -5.313 1.00 0.00 O flip ATOM 1021 ND2 ASN A 72 12.570 -1.474 -5.721 1.00 0.00 N flip ATOM 0 H ASN A 72 7.506 -0.451 -4.795 1.00 0.00 H new ATOM 0 HA ASN A 72 9.242 -0.469 -6.199 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.163 -1.030 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.628 -2.535 -4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.536 -2.493 -5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.387 -1.005 -6.112 1.00 0.00 H new ATOM 1028 N GLY A 73 7.989 -2.951 -7.052 1.00 0.00 N ATOM 1029 CA GLY A 73 7.869 -4.057 -7.983 1.00 0.00 C ATOM 1030 C GLY A 73 7.870 -5.404 -7.288 1.00 0.00 C ATOM 1031 O GLY A 73 8.218 -6.421 -7.888 1.00 0.00 O ATOM 0 H GLY A 73 7.105 -2.514 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.948 -3.948 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.693 -4.019 -8.696 1.00 0.00 H new ATOM 1035 N VAL A 74 7.481 -5.411 -6.016 1.00 0.00 N ATOM 1036 CA VAL A 74 7.438 -6.643 -5.237 1.00 0.00 C ATOM 1037 C VAL A 74 6.053 -6.870 -4.644 1.00 0.00 C ATOM 1038 O VAL A 74 5.661 -6.206 -3.684 1.00 0.00 O ATOM 1039 CB VAL A 74 8.476 -6.623 -4.099 1.00 0.00 C ATOM 1040 CG1 VAL A 74 8.414 -7.915 -3.298 1.00 0.00 C ATOM 1041 CG2 VAL A 74 9.873 -6.398 -4.656 1.00 0.00 C ATOM 0 H VAL A 74 7.191 -4.578 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 74 7.675 -7.459 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 74 8.240 -5.796 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.154 -7.883 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.419 -8.029 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.624 -8.760 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.593 -6.387 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.123 -7.202 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.906 -5.444 -5.181 1.00 0.00 H new ATOM 1051 N ASP A 75 5.316 -7.814 -5.220 1.00 0.00 N ATOM 1052 CA ASP A 75 3.973 -8.130 -4.747 1.00 0.00 C ATOM 1053 C ASP A 75 3.981 -8.433 -3.251 1.00 0.00 C ATOM 1054 O ASP A 75 4.795 -9.222 -2.771 1.00 0.00 O ATOM 1055 CB ASP A 75 3.406 -9.323 -5.518 1.00 0.00 C ATOM 1056 CG ASP A 75 1.943 -9.570 -5.208 1.00 0.00 C ATOM 1057 OD1 ASP A 75 1.492 -9.166 -4.116 1.00 0.00 O ATOM 1058 OD2 ASP A 75 1.248 -10.168 -6.057 1.00 0.00 O ATOM 0 H ASP A 75 5.626 -8.373 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 75 3.339 -7.260 -4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.523 -9.150 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.982 -10.216 -5.275 1.00 0.00 H new ATOM 1063 N LEU A 76 3.071 -7.799 -2.520 1.00 0.00 N ATOM 1064 CA LEU A 76 2.973 -7.999 -1.078 1.00 0.00 C ATOM 1065 C LEU A 76 1.713 -8.781 -0.721 1.00 0.00 C ATOM 1066 O LEU A 76 1.700 -9.552 0.239 1.00 0.00 O ATOM 1067 CB LEU A 76 2.973 -6.651 -0.355 1.00 0.00 C ATOM 1068 CG LEU A 76 4.041 -5.651 -0.799 1.00 0.00 C ATOM 1069 CD1 LEU A 76 3.766 -4.278 -0.206 1.00 0.00 C ATOM 1070 CD2 LEU A 76 5.426 -6.139 -0.399 1.00 0.00 C ATOM 0 H LEU A 76 2.390 -7.142 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 76 3.840 -8.576 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.994 -6.190 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.096 -6.834 0.712 1.00 0.00 H new ATOM 0 HG LEU A 76 4.006 -5.568 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.536 -3.580 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.791 -3.926 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.774 -4.343 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.174 -5.415 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.474 -6.250 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.623 -7.101 -0.872 1.00 0.00 H new ATOM 1082 N ARG A 77 0.657 -8.579 -1.501 1.00 0.00 N ATOM 1083 CA ARG A 77 -0.608 -9.266 -1.268 1.00 0.00 C ATOM 1084 C ARG A 77 -0.371 -10.711 -0.840 1.00 0.00 C ATOM 1085 O ARG A 77 -1.169 -11.290 -0.105 1.00 0.00 O ATOM 1086 CB ARG A 77 -1.472 -9.231 -2.530 1.00 0.00 C ATOM 1087 CG ARG A 77 -1.844 -7.826 -2.975 1.00 0.00 C ATOM 1088 CD ARG A 77 -2.089 -7.764 -4.475 1.00 0.00 C ATOM 1089 NE ARG A 77 -3.412 -8.265 -4.835 1.00 0.00 N ATOM 1090 CZ ARG A 77 -3.892 -8.250 -6.074 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -3.160 -7.762 -7.066 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -5.106 -8.725 -6.322 1.00 0.00 N ATOM 0 H ARG A 77 0.652 -7.945 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.131 -8.748 -0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.939 -9.730 -3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.384 -9.800 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.739 -7.500 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.045 -7.135 -2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.986 -6.734 -4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.327 -8.349 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.000 -8.648 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.226 -7.397 -6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.531 -7.752 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.671 -9.102 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.474 -8.713 -7.273 1.00 0.00 H new ATOM 1106 N ASN A 78 0.732 -11.288 -1.307 1.00 0.00 N ATOM 1107 CA ASN A 78 1.074 -12.666 -0.974 1.00 0.00 C ATOM 1108 C ASN A 78 2.102 -12.714 0.152 1.00 0.00 C ATOM 1109 O ASN A 78 1.968 -13.492 1.096 1.00 0.00 O ATOM 1110 CB ASN A 78 1.617 -13.391 -2.207 1.00 0.00 C ATOM 1111 CG ASN A 78 3.052 -13.010 -2.517 1.00 0.00 C ATOM 1112 OD1 ASN A 78 3.314 -11.965 -3.112 1.00 0.00 O ATOM 1113 ND2 ASN A 78 3.989 -13.860 -2.113 1.00 0.00 N ATOM 0 H ASN A 78 1.404 -10.822 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 78 0.167 -13.168 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.556 -14.468 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.989 -13.160 -3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.973 -13.658 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.725 -14.715 -1.623 1.00 0.00 H new ATOM 1120 N SER A 79 3.129 -11.877 0.044 1.00 0.00 N ATOM 1121 CA SER A 79 4.182 -11.826 1.051 1.00 0.00 C ATOM 1122 C SER A 79 3.589 -11.787 2.456 1.00 0.00 C ATOM 1123 O SER A 79 2.498 -11.257 2.667 1.00 0.00 O ATOM 1124 CB SER A 79 5.073 -10.602 0.827 1.00 0.00 C ATOM 1125 OG SER A 79 5.591 -10.583 -0.491 1.00 0.00 O ATOM 0 H SER A 79 3.254 -11.225 -0.731 1.00 0.00 H new ATOM 0 HA SER A 79 4.786 -12.728 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.500 -9.693 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.894 -10.610 1.544 1.00 0.00 H new ATOM 0 HG SER A 79 4.973 -10.100 -1.078 1.00 0.00 H new ATOM 1131 N SER A 80 4.316 -12.352 3.415 1.00 0.00 N ATOM 1132 CA SER A 80 3.861 -12.387 4.800 1.00 0.00 C ATOM 1133 C SER A 80 4.013 -11.017 5.455 1.00 0.00 C ATOM 1134 O SER A 80 4.422 -10.050 4.812 1.00 0.00 O ATOM 1135 CB SER A 80 4.648 -13.433 5.591 1.00 0.00 C ATOM 1136 OG SER A 80 5.988 -13.514 5.139 1.00 0.00 O ATOM 0 H SER A 80 5.223 -12.792 3.258 1.00 0.00 H new ATOM 0 HA SER A 80 2.805 -12.658 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.633 -13.178 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.168 -14.406 5.490 1.00 0.00 H new ATOM 0 HG SER A 80 6.559 -13.841 5.865 1.00 0.00 H new ATOM 1142 N HIS A 81 3.679 -10.943 6.740 1.00 0.00 N ATOM 1143 CA HIS A 81 3.778 -9.693 7.484 1.00 0.00 C ATOM 1144 C HIS A 81 5.213 -9.173 7.486 1.00 0.00 C ATOM 1145 O HIS A 81 5.477 -8.055 7.046 1.00 0.00 O ATOM 1146 CB HIS A 81 3.293 -9.890 8.921 1.00 0.00 C ATOM 1147 CG HIS A 81 3.360 -8.646 9.752 1.00 0.00 C ATOM 1148 ND1 HIS A 81 4.158 -8.320 10.796 1.00 0.00 N flip ATOM 1149 CD2 HIS A 81 2.536 -7.559 9.547 1.00 0.00 C flip ATOM 1150 CE1 HIS A 81 3.806 -7.055 11.198 1.00 0.00 C flip ATOM 1151 NE2 HIS A 81 2.825 -6.618 10.428 1.00 0.00 N flip ATOM 0 H HIS A 81 3.338 -11.734 7.287 1.00 0.00 H new ATOM 0 HA HIS A 81 3.144 -8.956 6.992 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.264 -10.249 8.902 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.893 -10.666 9.395 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.885 -8.905 11.207 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.774 -7.488 8.785 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.258 -6.506 12.011 1.00 0.00 H new ATOM 1160 N GLU A 82 6.133 -9.993 7.983 1.00 0.00 N ATOM 1161 CA GLU A 82 7.540 -9.614 8.043 1.00 0.00 C ATOM 1162 C GLU A 82 8.076 -9.290 6.651 1.00 0.00 C ATOM 1163 O GLU A 82 8.617 -8.209 6.421 1.00 0.00 O ATOM 1164 CB GLU A 82 8.368 -10.738 8.670 1.00 0.00 C ATOM 1165 CG GLU A 82 8.451 -10.660 10.185 1.00 0.00 C ATOM 1166 CD GLU A 82 9.516 -11.574 10.759 1.00 0.00 C ATOM 1167 OE1 GLU A 82 10.714 -11.245 10.626 1.00 0.00 O ATOM 1168 OE2 GLU A 82 9.153 -12.617 11.341 1.00 0.00 O ATOM 0 H GLU A 82 5.930 -10.923 8.350 1.00 0.00 H new ATOM 0 HA GLU A 82 7.623 -8.721 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.936 -11.698 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.376 -10.709 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.662 -9.632 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.483 -10.923 10.612 1.00 0.00 H new ATOM 1175 N GLU A 83 7.920 -10.234 5.728 1.00 0.00 N ATOM 1176 CA GLU A 83 8.389 -10.048 4.360 1.00 0.00 C ATOM 1177 C GLU A 83 8.084 -8.637 3.867 1.00 0.00 C ATOM 1178 O GLU A 83 8.949 -7.962 3.310 1.00 0.00 O ATOM 1179 CB GLU A 83 7.740 -11.077 3.431 1.00 0.00 C ATOM 1180 CG GLU A 83 8.498 -12.392 3.355 1.00 0.00 C ATOM 1181 CD GLU A 83 8.962 -12.877 4.715 1.00 0.00 C ATOM 1182 OE1 GLU A 83 9.825 -12.206 5.320 1.00 0.00 O ATOM 1183 OE2 GLU A 83 8.464 -13.926 5.173 1.00 0.00 O ATOM 0 H GLU A 83 7.473 -11.134 5.903 1.00 0.00 H new ATOM 0 HA GLU A 83 9.470 -10.191 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.724 -11.272 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.664 -10.653 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.859 -13.150 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.362 -12.272 2.702 1.00 0.00 H new ATOM 1190 N ALA A 84 6.846 -8.199 4.075 1.00 0.00 N ATOM 1191 CA ALA A 84 6.426 -6.868 3.653 1.00 0.00 C ATOM 1192 C ALA A 84 7.329 -5.793 4.249 1.00 0.00 C ATOM 1193 O ALA A 84 7.609 -4.780 3.608 1.00 0.00 O ATOM 1194 CB ALA A 84 4.978 -6.622 4.048 1.00 0.00 C ATOM 0 H ALA A 84 6.117 -8.746 4.533 1.00 0.00 H new ATOM 0 HA ALA A 84 6.509 -6.815 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.678 -5.625 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.339 -7.365 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.878 -6.700 5.131 1.00 0.00 H new ATOM 1200 N ILE A 85 7.780 -6.020 5.478 1.00 0.00 N ATOM 1201 CA ILE A 85 8.651 -5.071 6.159 1.00 0.00 C ATOM 1202 C ILE A 85 10.001 -4.963 5.459 1.00 0.00 C ATOM 1203 O ILE A 85 10.493 -3.864 5.200 1.00 0.00 O ATOM 1204 CB ILE A 85 8.878 -5.469 7.629 1.00 0.00 C ATOM 1205 CG1 ILE A 85 7.539 -5.600 8.358 1.00 0.00 C ATOM 1206 CG2 ILE A 85 9.768 -4.449 8.324 1.00 0.00 C ATOM 1207 CD1 ILE A 85 6.755 -4.307 8.417 1.00 0.00 C ATOM 0 H ILE A 85 7.556 -6.853 6.022 1.00 0.00 H new ATOM 0 HA ILE A 85 8.149 -4.104 6.127 1.00 0.00 H new ATOM 0 HB ILE A 85 9.380 -6.436 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.936 -6.359 7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.720 -5.953 9.373 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.919 -4.745 9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.732 -4.401 7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.292 -3.469 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.818 -4.474 8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.339 -3.551 8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.543 -3.964 7.404 1.00 0.00 H new ATOM 1219 N THR A 86 10.596 -6.112 5.153 1.00 0.00 N ATOM 1220 CA THR A 86 11.889 -6.147 4.482 1.00 0.00 C ATOM 1221 C THR A 86 11.814 -5.493 3.107 1.00 0.00 C ATOM 1222 O THR A 86 12.757 -4.835 2.670 1.00 0.00 O ATOM 1223 CB THR A 86 12.400 -7.592 4.323 1.00 0.00 C ATOM 1224 OG1 THR A 86 12.548 -8.203 5.609 1.00 0.00 O ATOM 1225 CG2 THR A 86 13.732 -7.617 3.588 1.00 0.00 C ATOM 0 H THR A 86 10.203 -7.030 5.359 1.00 0.00 H new ATOM 0 HA THR A 86 12.585 -5.589 5.109 1.00 0.00 H new ATOM 0 HB THR A 86 11.669 -8.150 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.871 -9.122 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.073 -8.647 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.610 -7.177 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.469 -7.044 4.151 1.00 0.00 H new ATOM 1233 N ALA A 87 10.685 -5.679 2.430 1.00 0.00 N ATOM 1234 CA ALA A 87 10.486 -5.104 1.105 1.00 0.00 C ATOM 1235 C ALA A 87 10.512 -3.580 1.159 1.00 0.00 C ATOM 1236 O ALA A 87 10.638 -2.915 0.130 1.00 0.00 O ATOM 1237 CB ALA A 87 9.172 -5.591 0.511 1.00 0.00 C ATOM 0 H ALA A 87 9.895 -6.223 2.777 1.00 0.00 H new ATOM 0 HA ALA A 87 11.305 -5.433 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.036 -5.154 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.191 -6.678 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.347 -5.290 1.157 1.00 0.00 H new ATOM 1243 N LEU A 88 10.391 -3.033 2.363 1.00 0.00 N ATOM 1244 CA LEU A 88 10.400 -1.586 2.550 1.00 0.00 C ATOM 1245 C LEU A 88 11.806 -1.087 2.865 1.00 0.00 C ATOM 1246 O LEU A 88 12.136 0.071 2.608 1.00 0.00 O ATOM 1247 CB LEU A 88 9.442 -1.192 3.676 1.00 0.00 C ATOM 1248 CG LEU A 88 7.996 -0.918 3.262 1.00 0.00 C ATOM 1249 CD1 LEU A 88 7.052 -1.159 4.430 1.00 0.00 C ATOM 1250 CD2 LEU A 88 7.850 0.504 2.741 1.00 0.00 C ATOM 0 H LEU A 88 10.286 -3.569 3.224 1.00 0.00 H new ATOM 0 HA LEU A 88 10.069 -1.122 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.441 -1.988 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.834 -0.300 4.164 1.00 0.00 H new ATOM 0 HG LEU A 88 7.732 -1.606 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.027 -0.959 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.136 -2.195 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.316 -0.496 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.814 0.681 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.133 1.209 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.498 0.643 1.875 1.00 0.00 H new ATOM 1262 N ARG A 89 12.631 -1.968 3.421 1.00 0.00 N ATOM 1263 CA ARG A 89 14.003 -1.617 3.770 1.00 0.00 C ATOM 1264 C ARG A 89 14.917 -1.725 2.553 1.00 0.00 C ATOM 1265 O ARG A 89 15.942 -1.048 2.474 1.00 0.00 O ATOM 1266 CB ARG A 89 14.515 -2.525 4.889 1.00 0.00 C ATOM 1267 CG ARG A 89 13.915 -2.212 6.250 1.00 0.00 C ATOM 1268 CD ARG A 89 14.870 -2.573 7.377 1.00 0.00 C ATOM 1269 NE ARG A 89 15.974 -1.623 7.483 1.00 0.00 N ATOM 1270 CZ ARG A 89 17.017 -1.795 8.288 1.00 0.00 C ATOM 1271 NH1 ARG A 89 17.097 -2.875 9.053 1.00 0.00 N ATOM 1272 NH2 ARG A 89 17.982 -0.886 8.330 1.00 0.00 N ATOM 0 H ARG A 89 12.373 -2.930 3.640 1.00 0.00 H new ATOM 0 HA ARG A 89 14.011 -0.584 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.294 -3.562 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.600 -2.436 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.670 -1.151 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.982 -2.762 6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.324 -2.601 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.268 -3.574 7.209 1.00 0.00 H new ATOM 0 HE ARG A 89 15.943 -0.781 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.357 -3.576 9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.899 -3.005 9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.924 -0.053 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.782 -1.020 8.949 1.00 0.00 H new ATOM 1286 N GLN A 90 14.540 -2.581 1.609 1.00 0.00 N ATOM 1287 CA GLN A 90 15.327 -2.778 0.398 1.00 0.00 C ATOM 1288 C GLN A 90 14.885 -1.818 -0.701 1.00 0.00 C ATOM 1289 O GLN A 90 15.245 -1.983 -1.867 1.00 0.00 O ATOM 1290 CB GLN A 90 15.200 -4.223 -0.089 1.00 0.00 C ATOM 1291 CG GLN A 90 15.819 -5.240 0.857 1.00 0.00 C ATOM 1292 CD GLN A 90 15.768 -6.652 0.309 1.00 0.00 C ATOM 1293 OE1 GLN A 90 16.798 -7.312 0.166 1.00 0.00 O ATOM 1294 NE2 GLN A 90 14.567 -7.125 -0.002 1.00 0.00 N ATOM 0 H GLN A 90 13.694 -3.149 1.660 1.00 0.00 H new ATOM 0 HA GLN A 90 16.371 -2.573 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 90 14.145 -4.461 -0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 90 15.675 -4.312 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.856 -4.967 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.297 -5.206 1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 90 13.740 -6.544 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.472 -8.069 -0.375 1.00 0.00 H new ATOM 1303 N THR A 91 14.101 -0.813 -0.323 1.00 0.00 N ATOM 1304 CA THR A 91 13.608 0.173 -1.276 1.00 0.00 C ATOM 1305 C THR A 91 14.636 1.274 -1.509 1.00 0.00 C ATOM 1306 O THR A 91 15.375 1.668 -0.607 1.00 0.00 O ATOM 1307 CB THR A 91 12.291 0.810 -0.795 1.00 0.00 C ATOM 1308 OG1 THR A 91 12.504 1.503 0.440 1.00 0.00 O ATOM 1309 CG2 THR A 91 11.215 -0.249 -0.608 1.00 0.00 C ATOM 0 H THR A 91 13.794 -0.661 0.638 1.00 0.00 H new ATOM 0 HA THR A 91 13.427 -0.355 -2.212 1.00 0.00 H new ATOM 0 HB THR A 91 11.956 1.516 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.012 1.051 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.294 0.224 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.034 -0.755 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.545 -0.976 0.134 1.00 0.00 H new ATOM 1317 N PRO A 92 14.686 1.785 -2.748 1.00 0.00 N ATOM 1318 CA PRO A 92 15.620 2.849 -3.129 1.00 0.00 C ATOM 1319 C PRO A 92 15.267 4.186 -2.486 1.00 0.00 C ATOM 1320 O PRO A 92 14.497 4.240 -1.528 1.00 0.00 O ATOM 1321 CB PRO A 92 15.466 2.930 -4.649 1.00 0.00 C ATOM 1322 CG PRO A 92 14.095 2.412 -4.919 1.00 0.00 C ATOM 1323 CD PRO A 92 13.835 1.363 -3.874 1.00 0.00 C ATOM 0 HA PRO A 92 16.637 2.635 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.579 3.954 -5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.222 2.331 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.357 3.212 -4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.028 1.989 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.783 1.329 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.102 0.368 -4.229 1.00 0.00 H new ATOM 1331 N GLN A 93 15.836 5.262 -3.020 1.00 0.00 N ATOM 1332 CA GLN A 93 15.581 6.600 -2.497 1.00 0.00 C ATOM 1333 C GLN A 93 14.109 6.970 -2.645 1.00 0.00 C ATOM 1334 O GLN A 93 13.454 7.357 -1.677 1.00 0.00 O ATOM 1335 CB GLN A 93 16.453 7.628 -3.219 1.00 0.00 C ATOM 1336 CG GLN A 93 16.747 8.867 -2.389 1.00 0.00 C ATOM 1337 CD GLN A 93 17.954 8.695 -1.489 1.00 0.00 C ATOM 1338 OE1 GLN A 93 17.868 8.077 -0.427 1.00 0.00 O ATOM 1339 NE2 GLN A 93 19.089 9.240 -1.910 1.00 0.00 N ATOM 0 H GLN A 93 16.476 5.234 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 93 15.833 6.602 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 93 17.395 7.158 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 93 15.957 7.928 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 93 16.913 9.714 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.876 9.106 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 93 19.115 9.743 -2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 93 19.935 9.155 -1.347 1.00 0.00 H new ATOM 1348 N LYS A 94 13.594 6.850 -3.864 1.00 0.00 N ATOM 1349 CA LYS A 94 12.199 7.172 -4.140 1.00 0.00 C ATOM 1350 C LYS A 94 11.331 5.918 -4.092 1.00 0.00 C ATOM 1351 O LYS A 94 11.004 5.337 -5.127 1.00 0.00 O ATOM 1352 CB LYS A 94 12.070 7.841 -5.511 1.00 0.00 C ATOM 1353 CG LYS A 94 12.777 7.089 -6.624 1.00 0.00 C ATOM 1354 CD LYS A 94 12.363 7.600 -7.994 1.00 0.00 C ATOM 1355 CE LYS A 94 13.206 8.791 -8.423 1.00 0.00 C ATOM 1356 NZ LYS A 94 13.211 8.963 -9.902 1.00 0.00 N ATOM 0 H LYS A 94 14.122 6.532 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 94 11.853 7.862 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.013 7.935 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.475 8.851 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.856 7.193 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.549 6.026 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.462 6.800 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.311 7.886 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.821 9.696 -7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.228 8.658 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.796 9.785 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.602 8.109 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.238 9.115 -10.237 1.00 0.00 H new ATOM 1370 N VAL A 95 10.961 5.506 -2.883 1.00 0.00 N ATOM 1371 CA VAL A 95 10.130 4.323 -2.700 1.00 0.00 C ATOM 1372 C VAL A 95 8.826 4.441 -3.481 1.00 0.00 C ATOM 1373 O VAL A 95 8.158 5.475 -3.441 1.00 0.00 O ATOM 1374 CB VAL A 95 9.805 4.089 -1.213 1.00 0.00 C ATOM 1375 CG1 VAL A 95 9.222 2.700 -1.005 1.00 0.00 C ATOM 1376 CG2 VAL A 95 11.049 4.287 -0.360 1.00 0.00 C ATOM 0 H VAL A 95 11.224 5.975 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 95 10.701 3.475 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 95 9.058 4.820 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.999 2.554 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.306 2.599 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.943 1.950 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.802 4.118 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.819 3.580 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.418 5.305 -0.486 1.00 0.00 H new ATOM 1386 N ARG A 96 8.468 3.376 -4.190 1.00 0.00 N ATOM 1387 CA ARG A 96 7.243 3.360 -4.981 1.00 0.00 C ATOM 1388 C ARG A 96 6.338 2.207 -4.560 1.00 0.00 C ATOM 1389 O ARG A 96 6.806 1.094 -4.314 1.00 0.00 O ATOM 1390 CB ARG A 96 7.574 3.245 -6.471 1.00 0.00 C ATOM 1391 CG ARG A 96 6.352 3.055 -7.353 1.00 0.00 C ATOM 1392 CD ARG A 96 6.017 1.583 -7.532 1.00 0.00 C ATOM 1393 NE ARG A 96 6.698 1.002 -8.686 1.00 0.00 N ATOM 1394 CZ ARG A 96 6.512 -0.247 -9.097 1.00 0.00 C ATOM 1395 NH1 ARG A 96 5.671 -1.043 -8.452 1.00 0.00 N ATOM 1396 NH2 ARG A 96 7.169 -0.702 -10.157 1.00 0.00 N ATOM 0 H ARG A 96 9.009 2.512 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 96 6.714 4.297 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.104 4.144 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.253 2.406 -6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.500 3.572 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.531 3.509 -8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.298 1.036 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.940 1.469 -7.652 1.00 0.00 H new ATOM 0 HE ARG A 96 7.352 1.588 -9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.164 -0.697 -7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.530 -2.002 -8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.817 -0.092 -10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.026 -1.661 -10.473 1.00 0.00 H new ATOM 1410 N LEU A 97 5.041 2.480 -4.477 1.00 0.00 N ATOM 1411 CA LEU A 97 4.069 1.465 -4.084 1.00 0.00 C ATOM 1412 C LEU A 97 2.749 1.659 -4.824 1.00 0.00 C ATOM 1413 O LEU A 97 2.509 2.709 -5.421 1.00 0.00 O ATOM 1414 CB LEU A 97 3.832 1.515 -2.574 1.00 0.00 C ATOM 1415 CG LEU A 97 5.059 1.810 -1.711 1.00 0.00 C ATOM 1416 CD1 LEU A 97 5.246 3.310 -1.544 1.00 0.00 C ATOM 1417 CD2 LEU A 97 4.934 1.132 -0.355 1.00 0.00 C ATOM 0 H LEU A 97 4.638 3.395 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 97 4.473 0.488 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.078 2.275 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.414 0.559 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 97 5.938 1.409 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.124 3.501 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.383 3.771 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.365 3.735 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.817 1.353 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.045 1.502 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.850 0.054 -0.493 1.00 0.00 H new ATOM 1429 N VAL A 98 1.896 0.641 -4.780 1.00 0.00 N ATOM 1430 CA VAL A 98 0.599 0.701 -5.443 1.00 0.00 C ATOM 1431 C VAL A 98 -0.537 0.499 -4.447 1.00 0.00 C ATOM 1432 O VAL A 98 -0.701 -0.585 -3.887 1.00 0.00 O ATOM 1433 CB VAL A 98 0.488 -0.359 -6.555 1.00 0.00 C ATOM 1434 CG1 VAL A 98 -0.833 -0.219 -7.296 1.00 0.00 C ATOM 1435 CG2 VAL A 98 1.662 -0.249 -7.515 1.00 0.00 C ATOM 0 H VAL A 98 2.080 -0.236 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 98 0.516 1.693 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 98 0.516 -1.347 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.894 -0.976 -8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.658 -0.353 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.895 0.772 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.567 -1.005 -8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.668 0.742 -7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.593 -0.404 -6.970 1.00 0.00 H new ATOM 1445 N VAL A 99 -1.322 1.550 -4.231 1.00 0.00 N ATOM 1446 CA VAL A 99 -2.445 1.488 -3.303 1.00 0.00 C ATOM 1447 C VAL A 99 -3.770 1.398 -4.051 1.00 0.00 C ATOM 1448 O VAL A 99 -3.842 1.686 -5.246 1.00 0.00 O ATOM 1449 CB VAL A 99 -2.474 2.716 -2.374 1.00 0.00 C ATOM 1450 CG1 VAL A 99 -1.193 2.799 -1.558 1.00 0.00 C ATOM 1451 CG2 VAL A 99 -2.686 3.989 -3.181 1.00 0.00 C ATOM 0 H VAL A 99 -1.201 2.455 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.309 0.590 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.310 2.608 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.232 3.673 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.089 1.899 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.339 2.884 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.704 4.847 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.872 4.106 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.634 3.927 -3.716 1.00 0.00 H new ATOM 1461 N TYR A 100 -4.818 0.998 -3.339 1.00 0.00 N ATOM 1462 CA TYR A 100 -6.142 0.868 -3.935 1.00 0.00 C ATOM 1463 C TYR A 100 -7.230 1.242 -2.933 1.00 0.00 C ATOM 1464 O TYR A 100 -7.450 0.539 -1.947 1.00 0.00 O ATOM 1465 CB TYR A 100 -6.363 -0.562 -4.433 1.00 0.00 C ATOM 1466 CG TYR A 100 -7.799 -0.861 -4.799 1.00 0.00 C ATOM 1467 CD1 TYR A 100 -8.398 -0.255 -5.897 1.00 0.00 C ATOM 1468 CD2 TYR A 100 -8.558 -1.748 -4.046 1.00 0.00 C ATOM 1469 CE1 TYR A 100 -9.710 -0.525 -6.234 1.00 0.00 C ATOM 1470 CE2 TYR A 100 -9.870 -2.025 -4.377 1.00 0.00 C ATOM 1471 CZ TYR A 100 -10.442 -1.411 -5.471 1.00 0.00 C ATOM 1472 OH TYR A 100 -11.749 -1.683 -5.803 1.00 0.00 O ATOM 0 H TYR A 100 -4.776 0.758 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.200 1.554 -4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.731 -0.736 -5.304 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.041 -1.261 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.828 0.439 -6.497 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.114 -2.229 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.160 -0.045 -7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.445 -2.719 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.046 -2.488 -5.329 1.00 0.00 H new ATOM 1482 N ARG A 101 -7.908 2.355 -3.195 1.00 0.00 N ATOM 1483 CA ARG A 101 -8.973 2.825 -2.316 1.00 0.00 C ATOM 1484 C ARG A 101 -10.334 2.695 -2.995 1.00 0.00 C ATOM 1485 O ARG A 101 -10.829 3.645 -3.602 1.00 0.00 O ATOM 1486 CB ARG A 101 -8.728 4.281 -1.916 1.00 0.00 C ATOM 1487 CG ARG A 101 -9.497 4.710 -0.677 1.00 0.00 C ATOM 1488 CD ARG A 101 -8.927 5.988 -0.082 1.00 0.00 C ATOM 1489 NE ARG A 101 -7.602 5.779 0.497 1.00 0.00 N ATOM 1490 CZ ARG A 101 -6.745 6.762 0.744 1.00 0.00 C ATOM 1491 NH1 ARG A 101 -7.071 8.017 0.464 1.00 0.00 N ATOM 1492 NH2 ARG A 101 -5.558 6.492 1.272 1.00 0.00 N ATOM 0 H ARG A 101 -7.739 2.948 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.972 2.204 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.662 4.426 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.005 4.929 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.545 4.863 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.463 3.914 0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.868 6.753 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.603 6.363 0.686 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.320 4.825 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.982 8.229 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.410 8.770 0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.303 5.528 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.900 7.248 1.461 1.00 0.00 H new ATOM 1506 N ASP A 102 -10.932 1.514 -2.887 1.00 0.00 N ATOM 1507 CA ASP A 102 -12.236 1.260 -3.489 1.00 0.00 C ATOM 1508 C ASP A 102 -13.221 2.371 -3.141 1.00 0.00 C ATOM 1509 O ASP A 102 -12.988 3.154 -2.221 1.00 0.00 O ATOM 1510 CB ASP A 102 -12.784 -0.089 -3.021 1.00 0.00 C ATOM 1511 CG ASP A 102 -14.295 -0.164 -3.114 1.00 0.00 C ATOM 1512 OD1 ASP A 102 -14.824 -0.082 -4.242 1.00 0.00 O ATOM 1513 OD2 ASP A 102 -14.948 -0.305 -2.059 1.00 0.00 O ATOM 0 H ASP A 102 -10.535 0.718 -2.388 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.110 1.236 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.346 -0.885 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.477 -0.264 -1.990 1.00 0.00 H new ATOM 1518 N GLU A 103 -14.322 2.434 -3.884 1.00 0.00 N ATOM 1519 CA GLU A 103 -15.341 3.451 -3.655 1.00 0.00 C ATOM 1520 C GLU A 103 -16.698 2.810 -3.381 1.00 0.00 C ATOM 1521 O GLU A 103 -17.733 3.312 -3.816 1.00 0.00 O ATOM 1522 CB GLU A 103 -15.441 4.386 -4.862 1.00 0.00 C ATOM 1523 CG GLU A 103 -15.494 3.657 -6.194 1.00 0.00 C ATOM 1524 CD GLU A 103 -16.888 3.169 -6.536 1.00 0.00 C ATOM 1525 OE1 GLU A 103 -17.779 4.018 -6.751 1.00 0.00 O ATOM 1526 OE2 GLU A 103 -17.089 1.937 -6.590 1.00 0.00 O ATOM 0 H GLU A 103 -14.531 1.793 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.049 4.030 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.333 5.003 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.585 5.060 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.142 4.322 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.812 2.807 -6.166 1.00 0.00 H new