USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 741 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 93 HIS :FLIP no HE2:sc= -9.19! C(o=-17!,f=-13!) USER MOD Set 1.2: A 94 GLN : amide:sc= -3.7! C(o=-13!,f=-21!) USER MOD Set 2.1: A 83 ASN : amide:sc= -8.64! C(o=-7.6!,f=-13!) USER MOD Set 2.2: A 103 THR OG1 : rot 173:sc= 1.02 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.888 X(o=-0.89,f=-0.45) USER MOD Single : A 19 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.44) USER MOD Single : A 20 MET CE :methyl 160:sc= -1.48 (180deg=-1.79!) USER MOD Single : A 22 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.1!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 83:sc= 0.0328 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 50 ASN : amide:sc= -3.07 K(o=-3.1,f=-4.6!) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= 0.0392 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 37:sc= 0.972 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -3.36! C(o=-3.4!,f=-6.7!) USER MOD Single : A 84 HIS : no HD1:sc=-0.00433 X(o=-0.0043,f=-0.0074) USER MOD Single : A 85 THR OG1 : rot -13:sc= 0.806 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.43) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.14 K(o=-1.1,f=-7.4!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0159 USER MOD ----------------------------------------------------------------- ATOM 121 N ASP A 12 4.486 -12.095 -12.670 1.00 0.00 N ATOM 122 CA ASP A 12 3.936 -10.905 -13.307 1.00 0.00 C ATOM 123 C ASP A 12 3.374 -9.941 -12.267 1.00 0.00 C ATOM 124 O ASP A 12 2.911 -10.359 -11.205 1.00 0.00 O ATOM 125 CB ASP A 12 2.843 -11.293 -14.304 1.00 0.00 C ATOM 126 CG ASP A 12 3.407 -11.708 -15.649 1.00 0.00 C ATOM 127 OD1 ASP A 12 4.082 -12.757 -15.712 1.00 0.00 O ATOM 128 OD2 ASP A 12 3.172 -10.984 -16.639 1.00 0.00 O ATOM 0 HA ASP A 12 4.743 -10.404 -13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.254 -12.112 -13.892 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.165 -10.451 -14.442 1.00 0.00 H new ATOM 133 N PHE A 13 3.419 -8.650 -12.578 1.00 0.00 N ATOM 134 CA PHE A 13 2.916 -7.627 -11.669 1.00 0.00 C ATOM 135 C PHE A 13 1.532 -7.999 -11.143 1.00 0.00 C ATOM 136 O PHE A 13 1.247 -7.847 -9.956 1.00 0.00 O ATOM 137 CB PHE A 13 2.858 -6.271 -12.375 1.00 0.00 C ATOM 138 CG PHE A 13 2.122 -5.219 -11.594 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.360 -5.050 -10.240 1.00 0.00 C ATOM 140 CD2 PHE A 13 1.193 -4.400 -12.215 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.686 -4.083 -9.519 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.516 -3.431 -11.499 1.00 0.00 C ATOM 143 CZ PHE A 13 0.761 -3.273 -10.149 1.00 0.00 C ATOM 0 H PHE A 13 3.799 -8.287 -13.453 1.00 0.00 H new ATOM 0 HA PHE A 13 3.601 -7.560 -10.824 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.874 -5.926 -12.566 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.376 -6.396 -13.345 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.081 -5.681 -9.742 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.996 -4.520 -13.270 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.882 -3.961 -8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.204 -2.797 -11.995 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.231 -2.518 -9.587 1.00 0.00 H new ATOM 153 N ASN A 14 0.678 -8.486 -12.037 1.00 0.00 N ATOM 154 CA ASN A 14 -0.677 -8.879 -11.664 1.00 0.00 C ATOM 155 C ASN A 14 -0.656 -10.099 -10.749 1.00 0.00 C ATOM 156 O ASN A 14 -1.594 -10.332 -9.986 1.00 0.00 O ATOM 157 CB ASN A 14 -1.505 -9.179 -12.914 1.00 0.00 C ATOM 158 CG ASN A 14 -2.010 -7.918 -13.590 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.085 -7.414 -13.266 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.233 -7.402 -14.535 1.00 0.00 N ATOM 0 H ASN A 14 0.899 -8.618 -13.024 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.134 -8.050 -11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.900 -9.749 -13.619 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.353 -9.807 -12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.520 -6.554 -15.024 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.349 -7.853 -14.771 1.00 0.00 H new ATOM 167 N SER A 15 0.419 -10.876 -10.830 1.00 0.00 N ATOM 168 CA SER A 15 0.561 -12.074 -10.012 1.00 0.00 C ATOM 169 C SER A 15 1.113 -11.728 -8.632 1.00 0.00 C ATOM 170 O SER A 15 0.522 -12.073 -7.609 1.00 0.00 O ATOM 171 CB SER A 15 1.479 -13.084 -10.703 1.00 0.00 C ATOM 172 OG SER A 15 1.294 -14.386 -10.176 1.00 0.00 O ATOM 0 H SER A 15 1.205 -10.697 -11.455 1.00 0.00 H new ATOM 0 HA SER A 15 -0.427 -12.518 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.277 -13.090 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.518 -12.781 -10.576 1.00 0.00 H new ATOM 0 HG SER A 15 1.891 -15.013 -10.636 1.00 0.00 H new ATOM 178 N VAL A 16 2.253 -11.044 -8.613 1.00 0.00 N ATOM 179 CA VAL A 16 2.886 -10.649 -7.360 1.00 0.00 C ATOM 180 C VAL A 16 1.882 -9.992 -6.420 1.00 0.00 C ATOM 181 O VAL A 16 1.848 -10.289 -5.225 1.00 0.00 O ATOM 182 CB VAL A 16 4.056 -9.678 -7.604 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.642 -8.574 -8.565 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.547 -9.094 -6.288 1.00 0.00 C ATOM 0 H VAL A 16 2.757 -10.752 -9.451 1.00 0.00 H new ATOM 0 HA VAL A 16 3.269 -11.559 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 16 4.877 -10.233 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.481 -7.898 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.343 -9.013 -9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.804 -8.019 -8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.374 -8.410 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.734 -8.553 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.886 -9.899 -5.636 1.00 0.00 H new ATOM 194 N ILE A 17 1.066 -9.097 -6.967 1.00 0.00 N ATOM 195 CA ILE A 17 0.059 -8.399 -6.176 1.00 0.00 C ATOM 196 C ILE A 17 -0.987 -9.368 -5.638 1.00 0.00 C ATOM 197 O ILE A 17 -1.384 -9.285 -4.477 1.00 0.00 O ATOM 198 CB ILE A 17 -0.645 -7.306 -7.002 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.375 -6.289 -7.519 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.712 -6.616 -6.165 1.00 0.00 C ATOM 201 CD1 ILE A 17 0.982 -5.435 -6.428 1.00 0.00 C ATOM 0 H ILE A 17 1.082 -8.838 -7.953 1.00 0.00 H new ATOM 0 HA ILE A 17 0.581 -7.933 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.129 -7.774 -7.859 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.172 -6.819 -8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.108 -5.641 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.201 -5.846 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.451 -7.349 -5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.249 -6.158 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.695 -4.737 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.194 -4.878 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.495 -6.074 -5.709 1.00 0.00 H new ATOM 213 N GLN A 18 -1.428 -10.287 -6.491 1.00 0.00 N ATOM 214 CA GLN A 18 -2.429 -11.274 -6.101 1.00 0.00 C ATOM 215 C GLN A 18 -1.879 -12.212 -5.031 1.00 0.00 C ATOM 216 O GLN A 18 -2.633 -12.765 -4.231 1.00 0.00 O ATOM 217 CB GLN A 18 -2.883 -12.081 -7.318 1.00 0.00 C ATOM 218 CG GLN A 18 -3.930 -11.371 -8.162 1.00 0.00 C ATOM 219 CD GLN A 18 -5.185 -11.041 -7.378 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.676 -11.858 -6.597 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.712 -9.840 -7.581 1.00 0.00 N ATOM 0 H GLN A 18 -1.108 -10.369 -7.456 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.286 -10.742 -5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.016 -12.303 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.286 -13.036 -6.981 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.505 -10.451 -8.564 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.192 -11.999 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.272 -9.194 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.557 -9.562 -7.081 1.00 0.00 H new ATOM 230 N GLN A 19 -0.562 -12.386 -5.024 1.00 0.00 N ATOM 231 CA GLN A 19 0.088 -13.259 -4.052 1.00 0.00 C ATOM 232 C GLN A 19 0.253 -12.552 -2.711 1.00 0.00 C ATOM 233 O GLN A 19 0.133 -13.170 -1.654 1.00 0.00 O ATOM 234 CB GLN A 19 1.452 -13.712 -4.575 1.00 0.00 C ATOM 235 CG GLN A 19 1.366 -14.784 -5.650 1.00 0.00 C ATOM 236 CD GLN A 19 2.588 -15.681 -5.679 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.050 -16.153 -4.640 1.00 0.00 O ATOM 238 NE2 GLN A 19 3.119 -15.921 -6.872 1.00 0.00 N ATOM 0 H GLN A 19 0.076 -11.935 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.546 -14.134 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.983 -12.849 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.044 -14.091 -3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.477 -15.392 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.246 -14.308 -6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.703 -15.509 -7.707 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.942 -16.517 -6.953 1.00 0.00 H new ATOM 247 N MET A 20 0.530 -11.253 -2.762 1.00 0.00 N ATOM 248 CA MET A 20 0.711 -10.462 -1.550 1.00 0.00 C ATOM 249 C MET A 20 -0.630 -10.175 -0.883 1.00 0.00 C ATOM 250 O MET A 20 -0.722 -10.110 0.342 1.00 0.00 O ATOM 251 CB MET A 20 1.424 -9.148 -1.875 1.00 0.00 C ATOM 252 CG MET A 20 2.779 -9.339 -2.537 1.00 0.00 C ATOM 253 SD MET A 20 3.236 -7.954 -3.596 1.00 0.00 S ATOM 254 CE MET A 20 3.541 -6.679 -2.375 1.00 0.00 C ATOM 0 H MET A 20 0.634 -10.726 -3.629 1.00 0.00 H new ATOM 0 HA MET A 20 1.325 -11.038 -0.858 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.789 -8.552 -2.531 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.555 -8.578 -0.955 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.540 -9.469 -1.767 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.764 -10.254 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.158 -5.895 -2.814 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.592 -6.254 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.059 -7.111 -1.519 1.00 0.00 H new ATOM 264 N ALA A 21 -1.666 -10.005 -1.697 1.00 0.00 N ATOM 265 CA ALA A 21 -3.002 -9.726 -1.185 1.00 0.00 C ATOM 266 C ALA A 21 -3.575 -10.938 -0.458 1.00 0.00 C ATOM 267 O ALA A 21 -4.359 -10.797 0.480 1.00 0.00 O ATOM 268 CB ALA A 21 -3.925 -9.304 -2.319 1.00 0.00 C ATOM 0 H ALA A 21 -1.606 -10.056 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.926 -8.907 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.919 -9.099 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.531 -8.405 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.987 -10.105 -3.055 1.00 0.00 H new ATOM 274 N GLN A 22 -3.177 -12.128 -0.897 1.00 0.00 N ATOM 275 CA GLN A 22 -3.653 -13.365 -0.288 1.00 0.00 C ATOM 276 C GLN A 22 -5.177 -13.429 -0.304 1.00 0.00 C ATOM 277 O GLN A 22 -5.805 -13.764 0.699 1.00 0.00 O ATOM 278 CB GLN A 22 -3.142 -13.480 1.149 1.00 0.00 C ATOM 279 CG GLN A 22 -1.662 -13.163 1.296 1.00 0.00 C ATOM 280 CD GLN A 22 -0.783 -14.384 1.111 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.272 -15.513 1.058 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.523 -14.164 1.010 1.00 0.00 N ATOM 0 H GLN A 22 -2.527 -12.262 -1.671 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.266 -14.200 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.715 -12.804 1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.326 -14.491 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.382 -12.404 0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.482 -12.736 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.885 -13.212 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.164 -14.947 0.883 1.00 0.00 H new ATOM 291 N GLY A 23 -5.765 -13.104 -1.452 1.00 0.00 N ATOM 292 CA GLY A 23 -7.211 -13.131 -1.577 1.00 0.00 C ATOM 293 C GLY A 23 -7.855 -11.831 -1.138 1.00 0.00 C ATOM 294 O GLY A 23 -8.938 -11.478 -1.605 1.00 0.00 O ATOM 0 H GLY A 23 -5.267 -12.823 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.479 -13.334 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.609 -13.950 -0.979 1.00 0.00 H new ATOM 298 N ARG A 24 -7.188 -11.116 -0.237 1.00 0.00 N ATOM 299 CA ARG A 24 -7.704 -9.849 0.267 1.00 0.00 C ATOM 300 C ARG A 24 -8.151 -8.949 -0.881 1.00 0.00 C ATOM 301 O ARG A 24 -7.522 -8.917 -1.938 1.00 0.00 O ATOM 302 CB ARG A 24 -6.639 -9.137 1.103 1.00 0.00 C ATOM 303 CG ARG A 24 -6.301 -9.856 2.399 1.00 0.00 C ATOM 304 CD ARG A 24 -5.235 -9.111 3.188 1.00 0.00 C ATOM 305 NE ARG A 24 -3.886 -9.515 2.803 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.811 -8.757 2.988 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.927 -7.562 3.551 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.616 -9.195 2.611 1.00 0.00 N ATOM 0 H ARG A 24 -6.289 -11.393 0.159 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.568 -10.062 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.732 -9.033 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.985 -8.130 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.201 -9.956 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.952 -10.864 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.351 -8.039 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.378 -9.294 4.253 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.762 -10.429 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.843 -7.223 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.100 -6.982 3.692 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.523 -10.114 2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.791 -8.612 2.753 1.00 0.00 H new ATOM 322 N GLN A 25 -9.241 -8.220 -0.664 1.00 0.00 N ATOM 323 CA GLN A 25 -9.772 -7.320 -1.681 1.00 0.00 C ATOM 324 C GLN A 25 -8.811 -6.165 -1.942 1.00 0.00 C ATOM 325 O GLN A 25 -8.553 -5.348 -1.057 1.00 0.00 O ATOM 326 CB GLN A 25 -11.136 -6.777 -1.250 1.00 0.00 C ATOM 327 CG GLN A 25 -11.645 -5.646 -2.128 1.00 0.00 C ATOM 328 CD GLN A 25 -12.925 -5.028 -1.599 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.742 -5.704 -0.974 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.106 -3.736 -1.848 1.00 0.00 N ATOM 0 H GLN A 25 -9.773 -8.235 0.206 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.890 -7.886 -2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.862 -7.590 -1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.069 -6.425 -0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.878 -4.875 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.817 -6.023 -3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.402 -3.214 -2.370 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.949 -3.266 -1.517 1.00 0.00 H new ATOM 339 N ILE A 26 -8.284 -6.104 -3.160 1.00 0.00 N ATOM 340 CA ILE A 26 -7.352 -5.048 -3.537 1.00 0.00 C ATOM 341 C ILE A 26 -8.095 -3.799 -4.001 1.00 0.00 C ATOM 342 O ILE A 26 -9.112 -3.890 -4.686 1.00 0.00 O ATOM 343 CB ILE A 26 -6.400 -5.511 -4.655 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.736 -6.835 -4.273 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.349 -4.445 -4.930 1.00 0.00 C ATOM 346 CD1 ILE A 26 -5.192 -7.602 -5.458 1.00 0.00 C ATOM 0 H ILE A 26 -8.486 -6.773 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.767 -4.810 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.979 -5.666 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.923 -6.636 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.461 -7.458 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.683 -4.786 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.839 -3.522 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.771 -4.262 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.736 -8.530 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.005 -7.832 -6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.443 -6.998 -5.970 1.00 0.00 H new ATOM 358 N GLU A 27 -7.576 -2.635 -3.624 1.00 0.00 N ATOM 359 CA GLU A 27 -8.190 -1.368 -4.003 1.00 0.00 C ATOM 360 C GLU A 27 -7.141 -0.389 -4.522 1.00 0.00 C ATOM 361 O GLU A 27 -6.007 -0.366 -4.043 1.00 0.00 O ATOM 362 CB GLU A 27 -8.928 -0.756 -2.810 1.00 0.00 C ATOM 363 CG GLU A 27 -10.363 -1.235 -2.671 1.00 0.00 C ATOM 364 CD GLU A 27 -10.938 -0.964 -1.294 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.351 0.187 -1.041 1.00 0.00 O ATOM 366 OE2 GLU A 27 -10.975 -1.902 -0.471 1.00 0.00 O ATOM 0 H GLU A 27 -6.733 -2.543 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.905 -1.565 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.384 -0.994 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.924 0.329 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.981 -0.742 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.406 -2.305 -2.875 1.00 0.00 H new ATOM 373 N TYR A 28 -7.527 0.417 -5.505 1.00 0.00 N ATOM 374 CA TYR A 28 -6.620 1.396 -6.092 1.00 0.00 C ATOM 375 C TYR A 28 -6.820 2.771 -5.461 1.00 0.00 C ATOM 376 O TYR A 28 -7.778 3.477 -5.776 1.00 0.00 O ATOM 377 CB TYR A 28 -6.837 1.480 -7.604 1.00 0.00 C ATOM 378 CG TYR A 28 -7.077 0.138 -8.257 1.00 0.00 C ATOM 379 CD1 TYR A 28 -6.036 -0.765 -8.438 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.344 -0.228 -8.694 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.251 -1.992 -9.034 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.568 -1.453 -9.290 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.518 -2.332 -9.458 1.00 0.00 C ATOM 384 OH TYR A 28 -7.737 -3.553 -10.053 1.00 0.00 O ATOM 0 H TYR A 28 -8.462 0.412 -5.912 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.598 1.071 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.689 2.130 -7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.965 1.947 -8.062 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.042 -0.503 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.168 0.458 -8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.431 -2.682 -9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.560 -1.722 -9.623 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.684 -3.635 -10.292 1.00 0.00 H new ATOM 394 N ILE A 29 -5.908 3.143 -4.569 1.00 0.00 N ATOM 395 CA ILE A 29 -5.981 4.433 -3.895 1.00 0.00 C ATOM 396 C ILE A 29 -5.200 5.497 -4.658 1.00 0.00 C ATOM 397 O ILE A 29 -3.974 5.565 -4.569 1.00 0.00 O ATOM 398 CB ILE A 29 -5.440 4.348 -2.455 1.00 0.00 C ATOM 399 CG1 ILE A 29 -6.071 3.164 -1.719 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.709 5.647 -1.710 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.557 3.320 -1.487 1.00 0.00 C ATOM 0 H ILE A 29 -5.110 2.569 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.034 4.712 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.362 4.193 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.895 2.254 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.573 3.037 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.321 5.571 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.216 6.471 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.783 5.831 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.937 2.444 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.740 4.212 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.067 3.417 -2.446 1.00 0.00 H new ATOM 413 N ASP A 30 -5.919 6.328 -5.405 1.00 0.00 N ATOM 414 CA ASP A 30 -5.294 7.392 -6.182 1.00 0.00 C ATOM 415 C ASP A 30 -5.143 8.659 -5.345 1.00 0.00 C ATOM 416 O ASP A 30 -6.113 9.384 -5.119 1.00 0.00 O ATOM 417 CB ASP A 30 -6.118 7.689 -7.436 1.00 0.00 C ATOM 418 CG ASP A 30 -5.331 8.462 -8.476 1.00 0.00 C ATOM 419 OD1 ASP A 30 -4.681 9.462 -8.106 1.00 0.00 O ATOM 420 OD2 ASP A 30 -5.364 8.066 -9.660 1.00 0.00 O ATOM 0 H ASP A 30 -6.935 6.285 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.301 7.055 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.465 6.751 -7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.005 8.259 -7.158 1.00 0.00 H new ATOM 425 N ILE A 31 -3.923 8.919 -4.889 1.00 0.00 N ATOM 426 CA ILE A 31 -3.646 10.098 -4.077 1.00 0.00 C ATOM 427 C ILE A 31 -3.097 11.236 -4.931 1.00 0.00 C ATOM 428 O ILE A 31 -2.339 11.007 -5.873 1.00 0.00 O ATOM 429 CB ILE A 31 -2.643 9.784 -2.952 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.193 8.685 -2.041 1.00 0.00 C ATOM 431 CG2 ILE A 31 -2.337 11.040 -2.150 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.164 8.122 -1.085 1.00 0.00 C ATOM 0 H ILE A 31 -3.110 8.329 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.593 10.405 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.716 9.428 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.030 9.084 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.586 7.876 -2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.627 10.802 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.908 11.796 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.257 11.423 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.624 7.348 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.338 7.693 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.789 8.919 -0.444 1.00 0.00 H new ATOM 444 N GLU A 32 -3.483 12.462 -4.592 1.00 0.00 N ATOM 445 CA GLU A 32 -3.027 13.636 -5.327 1.00 0.00 C ATOM 446 C GLU A 32 -1.977 14.404 -4.530 1.00 0.00 C ATOM 447 O GLU A 32 -2.309 15.205 -3.656 1.00 0.00 O ATOM 448 CB GLU A 32 -4.208 14.553 -5.651 1.00 0.00 C ATOM 449 CG GLU A 32 -3.799 15.977 -5.989 1.00 0.00 C ATOM 450 CD GLU A 32 -4.784 16.662 -6.916 1.00 0.00 C ATOM 451 OE1 GLU A 32 -5.999 16.407 -6.785 1.00 0.00 O ATOM 452 OE2 GLU A 32 -4.339 17.455 -7.772 1.00 0.00 O ATOM 0 H GLU A 32 -4.110 12.668 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.574 13.296 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.762 14.134 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.887 14.572 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.711 16.554 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.814 15.967 -6.455 1.00 0.00 H new ATOM 459 N ARG A 33 -0.708 14.153 -4.837 1.00 0.00 N ATOM 460 CA ARG A 33 0.391 14.819 -4.148 1.00 0.00 C ATOM 461 C ARG A 33 0.141 16.321 -4.050 1.00 0.00 C ATOM 462 O ARG A 33 -0.034 17.012 -5.053 1.00 0.00 O ATOM 463 CB ARG A 33 1.710 14.557 -4.876 1.00 0.00 C ATOM 464 CG ARG A 33 2.441 13.317 -4.386 1.00 0.00 C ATOM 465 CD ARG A 33 3.384 13.644 -3.239 1.00 0.00 C ATOM 466 NE ARG A 33 4.413 14.602 -3.632 1.00 0.00 N ATOM 467 CZ ARG A 33 5.084 15.356 -2.769 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.836 15.263 -1.470 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.007 16.205 -3.204 1.00 0.00 N ATOM 0 H ARG A 33 -0.416 13.493 -5.558 1.00 0.00 H new ATOM 0 HA ARG A 33 0.454 14.412 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.512 14.454 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.360 15.423 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.716 12.570 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.005 12.877 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.812 14.049 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.858 12.728 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 33 4.629 14.698 -4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.128 14.611 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.353 15.843 -0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.202 16.279 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.521 16.783 -2.540 1.00 0.00 H new ATOM 536 N LEU A 39 1.836 13.716 1.439 1.00 0.00 N ATOM 537 CA LEU A 39 0.892 12.603 1.408 1.00 0.00 C ATOM 538 C LEU A 39 -0.032 12.640 2.621 1.00 0.00 C ATOM 539 O LEU A 39 -1.165 12.162 2.566 1.00 0.00 O ATOM 540 CB LEU A 39 1.645 11.272 1.367 1.00 0.00 C ATOM 541 CG LEU A 39 3.020 11.299 0.700 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.566 9.888 0.544 1.00 0.00 C ATOM 543 CD2 LEU A 39 2.945 11.996 -0.651 1.00 0.00 C ATOM 0 HA LEU A 39 0.284 12.698 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.766 10.915 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.025 10.543 0.846 1.00 0.00 H new ATOM 0 HG LEU A 39 3.701 11.861 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.545 9.928 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.659 9.423 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.886 9.301 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.933 12.006 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.249 11.462 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.599 13.020 -0.513 1.00 0.00 H new ATOM 555 N GLY A 40 0.458 13.214 3.716 1.00 0.00 N ATOM 556 CA GLY A 40 -0.338 13.304 4.926 1.00 0.00 C ATOM 557 C GLY A 40 -0.527 11.959 5.598 1.00 0.00 C ATOM 558 O GLY A 40 -1.337 11.823 6.515 1.00 0.00 O ATOM 0 H GLY A 40 1.392 13.618 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.143 13.990 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.314 13.726 4.685 1.00 0.00 H new ATOM 562 N PHE A 41 0.221 10.960 5.140 1.00 0.00 N ATOM 563 CA PHE A 41 0.130 9.618 5.701 1.00 0.00 C ATOM 564 C PHE A 41 1.504 8.954 5.750 1.00 0.00 C ATOM 565 O PHE A 41 2.273 9.025 4.792 1.00 0.00 O ATOM 566 CB PHE A 41 -0.833 8.761 4.877 1.00 0.00 C ATOM 567 CG PHE A 41 -0.214 8.191 3.633 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.640 7.102 3.706 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.487 8.742 2.392 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.212 6.576 2.563 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.082 8.219 1.245 1.00 0.00 C ATOM 572 CZ PHE A 41 0.932 7.134 1.331 1.00 0.00 C ATOM 0 H PHE A 41 0.897 11.055 4.382 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.250 9.703 6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.201 7.944 5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.697 9.365 4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.861 6.660 4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.152 9.590 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.878 5.729 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.138 8.659 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.377 6.723 0.437 1.00 0.00 H new ATOM 582 N SER A 42 1.804 8.310 6.873 1.00 0.00 N ATOM 583 CA SER A 42 3.086 7.637 7.049 1.00 0.00 C ATOM 584 C SER A 42 2.950 6.137 6.807 1.00 0.00 C ATOM 585 O SER A 42 1.851 5.630 6.578 1.00 0.00 O ATOM 586 CB SER A 42 3.630 7.891 8.456 1.00 0.00 C ATOM 587 OG SER A 42 4.370 9.099 8.507 1.00 0.00 O ATOM 0 H SER A 42 1.177 8.240 7.675 1.00 0.00 H new ATOM 0 HA SER A 42 3.785 8.043 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.804 7.937 9.166 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.265 7.059 8.759 1.00 0.00 H new ATOM 0 HG SER A 42 4.705 9.239 9.417 1.00 0.00 H new ATOM 593 N VAL A 43 4.075 5.431 6.861 1.00 0.00 N ATOM 594 CA VAL A 43 4.083 3.988 6.649 1.00 0.00 C ATOM 595 C VAL A 43 5.033 3.296 7.620 1.00 0.00 C ATOM 596 O VAL A 43 5.994 3.897 8.100 1.00 0.00 O ATOM 597 CB VAL A 43 4.493 3.635 5.207 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.359 3.941 4.240 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.757 4.385 4.814 1.00 0.00 C ATOM 0 H VAL A 43 4.993 5.835 7.050 1.00 0.00 H new ATOM 0 HA VAL A 43 3.067 3.636 6.826 1.00 0.00 H new ATOM 0 HB VAL A 43 4.702 2.566 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.667 3.685 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.481 3.355 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.116 5.002 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.032 4.124 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.578 5.458 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.567 4.111 5.489 1.00 0.00 H new ATOM 609 N VAL A 44 4.757 2.027 7.904 1.00 0.00 N ATOM 610 CA VAL A 44 5.588 1.250 8.817 1.00 0.00 C ATOM 611 C VAL A 44 6.162 0.019 8.125 1.00 0.00 C ATOM 612 O VAL A 44 5.494 -0.614 7.308 1.00 0.00 O ATOM 613 CB VAL A 44 4.793 0.804 10.058 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.602 1.969 11.017 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.452 0.216 9.648 1.00 0.00 C ATOM 0 H VAL A 44 3.965 1.515 7.515 1.00 0.00 H new ATOM 0 HA VAL A 44 6.404 1.900 9.132 1.00 0.00 H new ATOM 0 HB VAL A 44 5.362 0.030 10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.038 1.635 11.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.576 2.341 11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.055 2.767 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.903 -0.094 10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.875 0.967 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.615 -0.647 9.003 1.00 0.00 H new ATOM 625 N ALA A 45 7.404 -0.315 8.459 1.00 0.00 N ATOM 626 CA ALA A 45 8.068 -1.472 7.871 1.00 0.00 C ATOM 627 C ALA A 45 8.031 -2.666 8.820 1.00 0.00 C ATOM 628 O ALA A 45 8.510 -2.587 9.952 1.00 0.00 O ATOM 629 CB ALA A 45 9.505 -1.129 7.508 1.00 0.00 C ATOM 0 H ALA A 45 7.971 0.199 9.134 1.00 0.00 H new ATOM 0 HA ALA A 45 7.531 -1.745 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.988 -2.002 7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.513 -0.311 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.045 -0.828 8.406 1.00 0.00 H new ATOM 635 N LEU A 46 7.460 -3.770 8.352 1.00 0.00 N ATOM 636 CA LEU A 46 7.360 -4.981 9.159 1.00 0.00 C ATOM 637 C LEU A 46 7.746 -6.212 8.344 1.00 0.00 C ATOM 638 O LEU A 46 7.021 -6.620 7.436 1.00 0.00 O ATOM 639 CB LEU A 46 5.939 -5.140 9.703 1.00 0.00 C ATOM 640 CG LEU A 46 5.409 -3.978 10.544 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.895 -4.052 10.661 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.053 -3.981 11.923 1.00 0.00 C ATOM 0 H LEU A 46 7.059 -3.852 7.418 1.00 0.00 H new ATOM 0 HA LEU A 46 8.054 -4.889 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.264 -5.291 8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.902 -6.046 10.307 1.00 0.00 H new ATOM 0 HG LEU A 46 5.669 -3.044 10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.535 -3.217 11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.450 -4.001 9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.612 -4.991 11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.664 -3.147 12.508 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.823 -4.918 12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.133 -3.879 11.820 1.00 0.00 H new ATOM 654 N ARG A 47 8.890 -6.801 8.676 1.00 0.00 N ATOM 655 CA ARG A 47 9.371 -7.986 7.976 1.00 0.00 C ATOM 656 C ARG A 47 8.335 -9.105 8.028 1.00 0.00 C ATOM 657 O ARG A 47 7.957 -9.565 9.105 1.00 0.00 O ATOM 658 CB ARG A 47 10.688 -8.466 8.588 1.00 0.00 C ATOM 659 CG ARG A 47 11.595 -9.178 7.598 1.00 0.00 C ATOM 660 CD ARG A 47 11.175 -10.626 7.399 1.00 0.00 C ATOM 661 NE ARG A 47 11.358 -11.421 8.610 1.00 0.00 N ATOM 662 CZ ARG A 47 12.547 -11.777 9.083 1.00 0.00 C ATOM 663 NH1 ARG A 47 13.652 -11.410 8.450 1.00 0.00 N ATOM 664 NH2 ARG A 47 12.632 -12.501 10.192 1.00 0.00 N ATOM 0 H ARG A 47 9.501 -6.477 9.426 1.00 0.00 H new ATOM 0 HA ARG A 47 9.540 -7.719 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.219 -7.610 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.470 -9.139 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.571 -8.656 6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.624 -9.142 7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.128 -10.661 7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.756 -11.063 6.587 1.00 0.00 H new ATOM 0 HE ARG A 47 10.527 -11.719 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.590 -10.853 7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.564 -11.685 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.784 -12.785 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.546 -12.774 10.554 1.00 0.00 H new ATOM 678 N SER A 48 7.881 -9.539 6.856 1.00 0.00 N ATOM 679 CA SER A 48 6.886 -10.601 6.768 1.00 0.00 C ATOM 680 C SER A 48 7.517 -11.961 7.052 1.00 0.00 C ATOM 681 O SER A 48 8.569 -12.295 6.507 1.00 0.00 O ATOM 682 CB SER A 48 6.238 -10.607 5.382 1.00 0.00 C ATOM 683 OG SER A 48 4.905 -11.086 5.445 1.00 0.00 O ATOM 0 H SER A 48 8.187 -9.171 5.955 1.00 0.00 H new ATOM 0 HA SER A 48 6.120 -10.411 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.246 -9.598 4.969 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.821 -11.233 4.707 1.00 0.00 H new ATOM 0 HG SER A 48 4.307 -10.356 5.711 1.00 0.00 H new ATOM 689 N GLN A 49 6.866 -12.740 7.910 1.00 0.00 N ATOM 690 CA GLN A 49 7.363 -14.063 8.268 1.00 0.00 C ATOM 691 C GLN A 49 7.951 -14.771 7.052 1.00 0.00 C ATOM 692 O GLN A 49 8.847 -15.605 7.180 1.00 0.00 O ATOM 693 CB GLN A 49 6.239 -14.908 8.870 1.00 0.00 C ATOM 694 CG GLN A 49 5.707 -14.364 10.186 1.00 0.00 C ATOM 695 CD GLN A 49 4.970 -15.412 10.996 1.00 0.00 C ATOM 696 OE1 GLN A 49 4.317 -16.296 10.441 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.071 -15.319 12.317 1.00 0.00 N ATOM 0 H GLN A 49 5.994 -12.478 8.370 1.00 0.00 H new ATOM 0 HA GLN A 49 8.152 -13.938 9.010 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.419 -14.970 8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.603 -15.923 9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.537 -13.973 10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.037 -13.528 9.985 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.623 -14.570 12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.597 -15.997 12.914 1.00 0.00 H new ATOM 706 N ASN A 50 7.440 -14.433 5.872 1.00 0.00 N ATOM 707 CA ASN A 50 7.915 -15.038 4.633 1.00 0.00 C ATOM 708 C ASN A 50 9.393 -14.733 4.410 1.00 0.00 C ATOM 709 O ASN A 50 10.047 -14.124 5.257 1.00 0.00 O ATOM 710 CB ASN A 50 7.093 -14.531 3.446 1.00 0.00 C ATOM 711 CG ASN A 50 7.010 -15.547 2.324 1.00 0.00 C ATOM 712 OD1 ASN A 50 7.238 -16.738 2.532 1.00 0.00 O ATOM 713 ND2 ASN A 50 6.682 -15.078 1.125 1.00 0.00 N ATOM 0 H ASN A 50 6.698 -13.744 5.748 1.00 0.00 H new ATOM 0 HA ASN A 50 7.794 -16.118 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.087 -14.284 3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.537 -13.611 3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.611 -15.714 0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.502 -14.082 0.999 1.00 0.00 H new ATOM 720 N LEU A 51 9.913 -15.159 3.264 1.00 0.00 N ATOM 721 CA LEU A 51 11.314 -14.931 2.928 1.00 0.00 C ATOM 722 C LEU A 51 11.670 -13.453 3.050 1.00 0.00 C ATOM 723 O LEU A 51 10.831 -12.630 3.416 1.00 0.00 O ATOM 724 CB LEU A 51 11.605 -15.421 1.508 1.00 0.00 C ATOM 725 CG LEU A 51 11.038 -14.567 0.374 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.657 -14.045 0.737 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.979 -13.415 0.053 1.00 0.00 C ATOM 0 H LEU A 51 9.385 -15.664 2.552 1.00 0.00 H new ATOM 0 HA LEU A 51 11.927 -15.493 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.686 -15.486 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.211 -16.432 1.406 1.00 0.00 H new ATOM 0 HG LEU A 51 10.945 -15.192 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.270 -13.439 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.986 -14.885 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.724 -13.436 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.560 -12.817 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.105 -12.791 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.948 -13.811 -0.252 1.00 0.00 H new ATOM 739 N GLY A 52 12.919 -13.122 2.738 1.00 0.00 N ATOM 740 CA GLY A 52 13.363 -11.743 2.818 1.00 0.00 C ATOM 741 C GLY A 52 12.400 -10.784 2.146 1.00 0.00 C ATOM 742 O GLY A 52 12.513 -10.514 0.950 1.00 0.00 O ATOM 0 H GLY A 52 13.631 -13.784 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.479 -11.462 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.345 -11.653 2.353 1.00 0.00 H new ATOM 746 N LYS A 53 11.448 -10.268 2.916 1.00 0.00 N ATOM 747 CA LYS A 53 10.460 -9.334 2.390 1.00 0.00 C ATOM 748 C LYS A 53 9.825 -8.523 3.514 1.00 0.00 C ATOM 749 O LYS A 53 9.626 -9.026 4.620 1.00 0.00 O ATOM 750 CB LYS A 53 9.376 -10.089 1.616 1.00 0.00 C ATOM 751 CG LYS A 53 8.418 -10.860 2.506 1.00 0.00 C ATOM 752 CD LYS A 53 7.092 -11.115 1.809 1.00 0.00 C ATOM 753 CE LYS A 53 6.302 -9.829 1.627 1.00 0.00 C ATOM 754 NZ LYS A 53 4.847 -10.092 1.448 1.00 0.00 N ATOM 0 H LYS A 53 11.340 -10.481 3.908 1.00 0.00 H new ATOM 0 HA LYS A 53 10.970 -8.647 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.808 -9.378 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.853 -10.782 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.869 -11.811 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.245 -10.301 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.273 -11.573 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.504 -11.825 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.451 -9.186 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.683 -9.289 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.549 -9.767 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.665 -11.112 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.310 -9.580 2.177 1.00 0.00 H new ATOM 768 N VAL A 54 9.506 -7.266 3.224 1.00 0.00 N ATOM 769 CA VAL A 54 8.890 -6.386 4.210 1.00 0.00 C ATOM 770 C VAL A 54 7.503 -5.942 3.761 1.00 0.00 C ATOM 771 O VAL A 54 7.238 -5.812 2.566 1.00 0.00 O ATOM 772 CB VAL A 54 9.757 -5.139 4.469 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.268 -4.395 5.702 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.220 -5.529 4.616 1.00 0.00 C ATOM 0 H VAL A 54 9.664 -6.834 2.314 1.00 0.00 H new ATOM 0 HA VAL A 54 8.804 -6.958 5.134 1.00 0.00 H new ATOM 0 HB VAL A 54 9.667 -4.471 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.893 -3.517 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.235 -4.082 5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.326 -5.052 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.818 -4.636 4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.331 -6.217 5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.561 -6.013 3.701 1.00 0.00 H new ATOM 784 N ASP A 55 6.620 -5.711 4.727 1.00 0.00 N ATOM 785 CA ASP A 55 5.259 -5.280 4.431 1.00 0.00 C ATOM 786 C ASP A 55 5.056 -3.818 4.816 1.00 0.00 C ATOM 787 O ASP A 55 5.243 -3.439 5.972 1.00 0.00 O ATOM 788 CB ASP A 55 4.250 -6.160 5.172 1.00 0.00 C ATOM 789 CG ASP A 55 4.609 -7.632 5.107 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.519 -8.217 4.008 1.00 0.00 O ATOM 791 OD2 ASP A 55 4.980 -8.198 6.156 1.00 0.00 O ATOM 0 H ASP A 55 6.823 -5.815 5.721 1.00 0.00 H new ATOM 0 HA ASP A 55 5.098 -5.380 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.197 -5.848 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.259 -6.011 4.744 1.00 0.00 H new ATOM 796 N ILE A 56 4.674 -3.002 3.839 1.00 0.00 N ATOM 797 CA ILE A 56 4.447 -1.582 4.076 1.00 0.00 C ATOM 798 C ILE A 56 2.973 -1.299 4.348 1.00 0.00 C ATOM 799 O ILE A 56 2.122 -1.497 3.481 1.00 0.00 O ATOM 800 CB ILE A 56 4.909 -0.730 2.878 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.321 -1.135 2.451 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.859 0.749 3.230 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.371 -0.870 3.507 1.00 0.00 C ATOM 0 H ILE A 56 4.515 -3.300 2.876 1.00 0.00 H new ATOM 0 HA ILE A 56 5.035 -1.310 4.953 1.00 0.00 H new ATOM 0 HB ILE A 56 4.233 -0.907 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.326 -2.196 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.586 -0.594 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.188 1.338 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.838 1.027 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.515 0.944 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.347 -1.181 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.394 0.195 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.130 -1.432 4.409 1.00 0.00 H new ATOM 815 N PHE A 57 2.679 -0.834 5.558 1.00 0.00 N ATOM 816 CA PHE A 57 1.308 -0.523 5.945 1.00 0.00 C ATOM 817 C PHE A 57 1.126 0.979 6.141 1.00 0.00 C ATOM 818 O PHE A 57 2.089 1.706 6.386 1.00 0.00 O ATOM 819 CB PHE A 57 0.937 -1.266 7.230 1.00 0.00 C ATOM 820 CG PHE A 57 1.111 -2.755 7.133 1.00 0.00 C ATOM 821 CD1 PHE A 57 0.120 -3.546 6.574 1.00 0.00 C ATOM 822 CD2 PHE A 57 2.264 -3.363 7.601 1.00 0.00 C ATOM 823 CE1 PHE A 57 0.277 -4.916 6.485 1.00 0.00 C ATOM 824 CE2 PHE A 57 2.427 -4.733 7.514 1.00 0.00 C ATOM 825 CZ PHE A 57 1.432 -5.510 6.954 1.00 0.00 C ATOM 0 H PHE A 57 3.372 -0.664 6.287 1.00 0.00 H new ATOM 0 HA PHE A 57 0.647 -0.849 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.551 -0.889 8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.100 -1.045 7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.785 -3.087 6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.045 -2.760 8.039 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.503 -5.522 6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.331 -5.195 7.883 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.557 -6.580 6.883 1.00 0.00 H new ATOM 835 N VAL A 58 -0.117 1.438 6.033 1.00 0.00 N ATOM 836 CA VAL A 58 -0.426 2.853 6.199 1.00 0.00 C ATOM 837 C VAL A 58 -0.713 3.185 7.659 1.00 0.00 C ATOM 838 O VAL A 58 -1.647 2.651 8.257 1.00 0.00 O ATOM 839 CB VAL A 58 -1.638 3.267 5.343 1.00 0.00 C ATOM 840 CG1 VAL A 58 -2.054 4.694 5.660 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.322 3.111 3.863 1.00 0.00 C ATOM 0 H VAL A 58 -0.926 0.850 5.831 1.00 0.00 H new ATOM 0 HA VAL A 58 0.451 3.409 5.868 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.473 2.609 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.911 4.968 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.324 4.769 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.225 5.370 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.189 3.408 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.473 3.743 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.078 2.070 3.651 1.00 0.00 H new ATOM 851 N LYS A 59 0.097 4.072 8.228 1.00 0.00 N ATOM 852 CA LYS A 59 -0.069 4.478 9.618 1.00 0.00 C ATOM 853 C LYS A 59 -0.115 5.998 9.739 1.00 0.00 C ATOM 854 O LYS A 59 0.203 6.715 8.790 1.00 0.00 O ATOM 855 CB LYS A 59 1.072 3.922 10.473 1.00 0.00 C ATOM 856 CG LYS A 59 1.224 2.414 10.378 1.00 0.00 C ATOM 857 CD LYS A 59 0.393 1.702 11.433 1.00 0.00 C ATOM 858 CE LYS A 59 1.024 1.818 12.812 1.00 0.00 C ATOM 859 NZ LYS A 59 0.106 1.345 13.884 1.00 0.00 N ATOM 0 H LYS A 59 0.875 4.523 7.747 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.015 4.074 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.006 4.393 10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.902 4.197 11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.920 2.079 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.273 2.145 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.611 2.126 11.454 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.289 0.650 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.945 1.236 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.297 2.856 13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.573 1.440 14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.763 1.917 13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.135 0.347 13.719 1.00 0.00 H new ATOM 873 N ASP A 60 -0.509 6.482 10.911 1.00 0.00 N ATOM 874 CA ASP A 60 -0.594 7.917 11.157 1.00 0.00 C ATOM 875 C ASP A 60 -1.376 8.613 10.047 1.00 0.00 C ATOM 876 O ASP A 60 -0.925 9.614 9.490 1.00 0.00 O ATOM 877 CB ASP A 60 0.807 8.520 11.267 1.00 0.00 C ATOM 878 CG ASP A 60 1.330 8.515 12.689 1.00 0.00 C ATOM 879 OD1 ASP A 60 1.774 7.444 13.155 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.297 9.582 13.337 1.00 0.00 O ATOM 0 H ASP A 60 -0.775 5.902 11.707 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.122 8.069 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.491 7.960 10.630 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.789 9.544 10.893 1.00 0.00 H new ATOM 885 N VAL A 61 -2.549 8.075 9.730 1.00 0.00 N ATOM 886 CA VAL A 61 -3.394 8.645 8.687 1.00 0.00 C ATOM 887 C VAL A 61 -4.062 9.931 9.161 1.00 0.00 C ATOM 888 O VAL A 61 -5.124 9.897 9.782 1.00 0.00 O ATOM 889 CB VAL A 61 -4.481 7.649 8.240 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.417 8.298 7.231 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.848 6.393 7.662 1.00 0.00 C ATOM 0 H VAL A 61 -2.936 7.246 10.180 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.745 8.868 7.840 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.068 7.363 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.178 7.580 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.897 9.165 7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.847 8.615 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.631 5.701 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.235 6.658 6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.224 5.919 8.419 1.00 0.00 H new ATOM 901 N GLN A 62 -3.432 11.062 8.864 1.00 0.00 N ATOM 902 CA GLN A 62 -3.965 12.360 9.260 1.00 0.00 C ATOM 903 C GLN A 62 -5.372 12.562 8.708 1.00 0.00 C ATOM 904 O GLN A 62 -5.614 12.461 7.505 1.00 0.00 O ATOM 905 CB GLN A 62 -3.048 13.483 8.773 1.00 0.00 C ATOM 906 CG GLN A 62 -1.865 13.743 9.692 1.00 0.00 C ATOM 907 CD GLN A 62 -2.205 14.686 10.829 1.00 0.00 C ATOM 908 OE1 GLN A 62 -2.389 14.259 11.970 1.00 0.00 O ATOM 909 NE2 GLN A 62 -2.290 15.975 10.525 1.00 0.00 N ATOM 0 H GLN A 62 -2.552 11.106 8.350 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.014 12.387 10.349 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.677 13.233 7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.630 14.399 8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.514 12.796 10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.044 14.162 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.130 16.285 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.516 16.656 11.250 1.00 0.00 H new ATOM 918 N PRO A 63 -6.325 12.854 9.606 1.00 0.00 N ATOM 919 CA PRO A 63 -7.725 13.076 9.232 1.00 0.00 C ATOM 920 C PRO A 63 -7.918 14.376 8.458 1.00 0.00 C ATOM 921 O PRO A 63 -9.037 14.725 8.083 1.00 0.00 O ATOM 922 CB PRO A 63 -8.446 13.144 10.580 1.00 0.00 C ATOM 923 CG PRO A 63 -7.401 13.582 11.547 1.00 0.00 C ATOM 924 CD PRO A 63 -6.109 12.990 11.057 1.00 0.00 C ATOM 0 HA PRO A 63 -8.100 12.294 8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.277 13.849 10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.860 12.174 10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.340 14.669 11.590 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.632 13.236 12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.261 13.638 11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.905 12.027 11.525 1.00 0.00 H new ATOM 932 N GLY A 64 -6.821 15.088 8.222 1.00 0.00 N ATOM 933 CA GLY A 64 -6.892 16.341 7.494 1.00 0.00 C ATOM 934 C GLY A 64 -5.902 16.403 6.348 1.00 0.00 C ATOM 935 O GLY A 64 -5.072 17.310 6.284 1.00 0.00 O ATOM 0 H GLY A 64 -5.884 14.819 8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.902 16.475 7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.702 17.167 8.179 1.00 0.00 H new ATOM 939 N SER A 65 -5.987 15.435 5.442 1.00 0.00 N ATOM 940 CA SER A 65 -5.087 15.379 4.295 1.00 0.00 C ATOM 941 C SER A 65 -5.625 14.431 3.228 1.00 0.00 C ATOM 942 O SER A 65 -6.544 13.651 3.480 1.00 0.00 O ATOM 943 CB SER A 65 -3.692 14.931 4.736 1.00 0.00 C ATOM 944 OG SER A 65 -2.902 16.039 5.131 1.00 0.00 O ATOM 0 H SER A 65 -6.670 14.678 5.479 1.00 0.00 H new ATOM 0 HA SER A 65 -5.021 16.379 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.777 14.228 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.201 14.403 3.919 1.00 0.00 H new ATOM 0 HG SER A 65 -3.465 16.693 5.596 1.00 0.00 H new ATOM 950 N VAL A 66 -5.045 14.504 2.034 1.00 0.00 N ATOM 951 CA VAL A 66 -5.464 13.652 0.927 1.00 0.00 C ATOM 952 C VAL A 66 -5.905 12.281 1.426 1.00 0.00 C ATOM 953 O VAL A 66 -6.997 11.814 1.104 1.00 0.00 O ATOM 954 CB VAL A 66 -4.332 13.472 -0.102 1.00 0.00 C ATOM 955 CG1 VAL A 66 -4.275 14.663 -1.046 1.00 0.00 C ATOM 956 CG2 VAL A 66 -2.998 13.275 0.602 1.00 0.00 C ATOM 0 H VAL A 66 -4.284 15.144 1.809 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.307 14.149 0.446 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.540 12.580 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.469 14.518 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.223 14.753 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.091 15.572 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.210 13.149 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.780 14.147 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.047 12.387 1.233 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.803 6.315 1.875 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.594 5.696 2.406 1.00 0.00 C ATOM 1067 C LEU A 73 -7.738 5.409 3.897 1.00 0.00 C ATOM 1068 O LEU A 73 -7.858 6.327 4.709 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.385 6.601 2.164 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.046 5.893 1.957 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -4.018 6.852 1.376 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.547 5.303 3.268 1.00 0.00 C ATOM 0 HA LEU A 73 -7.442 4.750 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.587 7.216 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.288 7.278 3.013 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.193 5.079 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.072 6.330 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.372 7.226 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.873 7.688 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.593 4.803 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.416 6.100 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.274 4.583 3.643 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.723 4.128 4.252 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.848 3.719 5.646 1.00 0.00 C ATOM 1086 C LYS A 74 -6.495 3.307 6.216 1.00 0.00 C ATOM 1087 O LYS A 74 -5.543 3.075 5.471 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.840 2.560 5.771 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.149 2.798 5.037 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.134 3.576 5.893 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.792 2.685 6.936 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.963 1.952 6.381 1.00 0.00 N ATOM 0 H LYS A 74 -7.625 3.355 3.593 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.218 4.571 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.376 1.652 5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.051 2.386 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.956 3.345 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.588 1.841 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.617 4.397 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.900 4.019 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.062 1.970 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.112 3.292 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.383 1.356 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.671 2.634 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.654 1.353 5.589 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.418 3.217 7.540 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.180 2.832 8.208 1.00 0.00 C ATOM 1108 C GLU A 75 -4.932 1.333 8.071 1.00 0.00 C ATOM 1109 O GLU A 75 -5.831 0.574 7.712 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.232 3.219 9.688 1.00 0.00 C ATOM 1111 CG GLU A 75 -3.861 3.383 10.322 1.00 0.00 C ATOM 1112 CD GLU A 75 -3.937 3.853 11.762 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.450 3.091 12.607 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.483 4.982 12.043 1.00 0.00 O ATOM 0 H GLU A 75 -7.197 3.405 8.171 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.358 3.364 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.785 4.153 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.787 2.457 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.330 2.432 10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.279 4.098 9.741 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.704 0.914 8.359 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.335 -0.494 8.268 1.00 0.00 C ATOM 1123 C ASN A 76 -3.480 -1.002 6.836 1.00 0.00 C ATOM 1124 O ASN A 76 -3.701 -2.191 6.608 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.203 -1.332 9.208 1.00 0.00 C ATOM 1126 CG ASN A 76 -4.008 -0.957 10.664 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.997 -1.303 11.276 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -4.977 -0.244 11.227 1.00 0.00 N ATOM 0 H ASN A 76 -2.947 1.530 8.657 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.291 -0.591 8.566 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.252 -1.204 8.940 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.966 -2.387 9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.900 0.039 12.204 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.798 0.021 10.682 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.352 -0.093 5.876 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.467 -0.448 4.467 1.00 0.00 C ATOM 1137 C ASP A 77 -2.120 -0.898 3.909 1.00 0.00 C ATOM 1138 O ASP A 77 -1.262 -0.074 3.593 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.996 0.739 3.661 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.508 0.842 3.705 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.108 0.349 4.684 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.091 1.416 2.762 1.00 0.00 O ATOM 0 H ASP A 77 -3.168 0.895 6.048 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.171 -1.276 4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.561 1.660 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.671 0.644 2.625 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.943 -2.210 3.791 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.700 -2.769 3.272 1.00 0.00 C ATOM 1149 C GLN A 78 -0.527 -2.434 1.795 1.00 0.00 C ATOM 1150 O GLN A 78 -1.186 -3.020 0.935 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.677 -4.286 3.470 1.00 0.00 C ATOM 1152 CG GLN A 78 0.720 -4.885 3.420 1.00 0.00 C ATOM 1153 CD GLN A 78 1.110 -5.340 2.028 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.528 -6.278 1.483 1.00 0.00 O ATOM 1155 NE2 GLN A 78 2.100 -4.675 1.443 1.00 0.00 N ATOM 0 H GLN A 78 -2.644 -2.905 4.047 1.00 0.00 H new ATOM 0 HA GLN A 78 0.128 -2.325 3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.132 -4.526 4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.292 -4.754 2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.441 -4.147 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.772 -5.733 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.555 -3.904 1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.405 -4.936 0.505 1.00 0.00 H new ATOM 1164 N ILE A 79 0.362 -1.490 1.507 1.00 0.00 N ATOM 1165 CA ILE A 79 0.621 -1.078 0.133 1.00 0.00 C ATOM 1166 C ILE A 79 1.326 -2.182 -0.647 1.00 0.00 C ATOM 1167 O ILE A 79 2.506 -2.458 -0.427 1.00 0.00 O ATOM 1168 CB ILE A 79 1.479 0.200 0.081 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.866 1.288 0.965 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.614 0.689 -1.353 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.536 2.636 0.815 1.00 0.00 C ATOM 0 H ILE A 79 0.915 -0.996 2.207 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.347 -0.874 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 79 2.474 -0.032 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.192 1.388 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.927 0.975 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.223 1.593 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.090 -0.083 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.626 0.908 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.050 3.359 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.589 2.551 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.453 2.971 -0.219 1.00 0.00 H new ATOM 1183 N LEU A 80 0.596 -2.810 -1.563 1.00 0.00 N ATOM 1184 CA LEU A 80 1.151 -3.884 -2.379 1.00 0.00 C ATOM 1185 C LEU A 80 2.090 -3.328 -3.445 1.00 0.00 C ATOM 1186 O LEU A 80 3.173 -3.865 -3.674 1.00 0.00 O ATOM 1187 CB LEU A 80 0.026 -4.682 -3.040 1.00 0.00 C ATOM 1188 CG LEU A 80 -1.103 -5.141 -2.117 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -2.041 -6.088 -2.851 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.537 -5.807 -0.872 1.00 0.00 C ATOM 0 H LEU A 80 -0.381 -2.594 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 80 1.722 -4.545 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.406 -4.073 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.462 -5.562 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.673 -4.265 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.838 -6.404 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.473 -5.577 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.484 -6.962 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.355 -6.127 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.057 -6.674 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.093 -5.098 -0.335 1.00 0.00 H new ATOM 1202 N ALA A 81 1.667 -2.247 -4.093 1.00 0.00 N ATOM 1203 CA ALA A 81 2.471 -1.615 -5.131 1.00 0.00 C ATOM 1204 C ALA A 81 2.375 -0.095 -5.052 1.00 0.00 C ATOM 1205 O ALA A 81 1.380 0.449 -4.571 1.00 0.00 O ATOM 1206 CB ALA A 81 2.037 -2.102 -6.505 1.00 0.00 C ATOM 0 H ALA A 81 0.772 -1.791 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 81 3.512 -1.896 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.646 -1.621 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.165 -3.183 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.988 -1.851 -6.665 1.00 0.00 H new ATOM 1212 N ILE A 82 3.414 0.584 -5.526 1.00 0.00 N ATOM 1213 CA ILE A 82 3.445 2.042 -5.509 1.00 0.00 C ATOM 1214 C ILE A 82 3.824 2.600 -6.876 1.00 0.00 C ATOM 1215 O ILE A 82 4.972 2.491 -7.305 1.00 0.00 O ATOM 1216 CB ILE A 82 4.438 2.571 -4.457 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.949 2.234 -3.047 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.624 4.073 -4.614 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.031 2.325 -1.994 1.00 0.00 C ATOM 0 H ILE A 82 4.245 0.149 -5.926 1.00 0.00 H new ATOM 0 HA ILE A 82 2.441 2.376 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 82 5.402 2.086 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.137 2.911 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.536 1.225 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.328 4.433 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.012 4.290 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.665 4.574 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.613 2.073 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.833 1.628 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.428 3.340 -1.967 1.00 0.00 H new ATOM 1231 N ASN A 83 2.852 3.199 -7.555 1.00 0.00 N ATOM 1232 CA ASN A 83 3.084 3.777 -8.874 1.00 0.00 C ATOM 1233 C ASN A 83 3.579 2.716 -9.852 1.00 0.00 C ATOM 1234 O ASN A 83 4.616 2.884 -10.495 1.00 0.00 O ATOM 1235 CB ASN A 83 4.100 4.917 -8.783 1.00 0.00 C ATOM 1236 CG ASN A 83 3.751 5.917 -7.698 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.627 6.407 -6.985 1.00 0.00 O ATOM 1238 ND2 ASN A 83 2.466 6.225 -7.570 1.00 0.00 N ATOM 0 H ASN A 83 1.896 3.297 -7.214 1.00 0.00 H new ATOM 0 HA ASN A 83 2.137 4.172 -9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.089 4.504 -8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.153 5.430 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.170 6.893 -6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.775 5.794 -8.184 1.00 0.00 H new ATOM 1245 N HIS A 84 2.831 1.622 -9.960 1.00 0.00 N ATOM 1246 CA HIS A 84 3.193 0.534 -10.861 1.00 0.00 C ATOM 1247 C HIS A 84 4.505 -0.115 -10.430 1.00 0.00 C ATOM 1248 O HIS A 84 5.435 -0.250 -11.227 1.00 0.00 O ATOM 1249 CB HIS A 84 3.313 1.050 -12.296 1.00 0.00 C ATOM 1250 CG HIS A 84 3.233 -0.031 -13.329 1.00 0.00 C ATOM 1251 ND1 HIS A 84 4.242 -0.283 -14.235 1.00 0.00 N ATOM 1252 CD2 HIS A 84 2.256 -0.929 -13.598 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.889 -1.288 -15.016 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.688 -1.699 -14.650 1.00 0.00 N ATOM 0 H HIS A 84 1.971 1.466 -9.435 1.00 0.00 H new ATOM 0 HA HIS A 84 2.405 -0.218 -10.818 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.521 1.776 -12.480 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.261 1.577 -12.406 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.312 -1.022 -13.081 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.482 -1.703 -15.818 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.167 -2.464 -15.079 1.00 0.00 H new ATOM 1263 N THR A 85 4.574 -0.513 -9.164 1.00 0.00 N ATOM 1264 CA THR A 85 5.772 -1.146 -8.626 1.00 0.00 C ATOM 1265 C THR A 85 5.470 -1.880 -7.325 1.00 0.00 C ATOM 1266 O THR A 85 5.284 -1.273 -6.270 1.00 0.00 O ATOM 1267 CB THR A 85 6.887 -0.113 -8.372 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.242 0.536 -9.598 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.115 -0.779 -7.771 1.00 0.00 C ATOM 0 H THR A 85 3.814 -0.408 -8.492 1.00 0.00 H new ATOM 0 HA THR A 85 6.113 -1.863 -9.373 1.00 0.00 H new ATOM 0 HB THR A 85 6.512 0.627 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.861 0.040 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.888 -0.030 -7.601 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.848 -1.247 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.490 -1.538 -8.458 1.00 0.00 H new ATOM 1277 N PRO A 86 5.419 -3.219 -7.398 1.00 0.00 N ATOM 1278 CA PRO A 86 5.141 -4.065 -6.234 1.00 0.00 C ATOM 1279 C PRO A 86 6.288 -4.065 -5.230 1.00 0.00 C ATOM 1280 O PRO A 86 7.459 -4.041 -5.610 1.00 0.00 O ATOM 1281 CB PRO A 86 4.963 -5.458 -6.843 1.00 0.00 C ATOM 1282 CG PRO A 86 5.742 -5.419 -8.113 1.00 0.00 C ATOM 1283 CD PRO A 86 5.631 -4.009 -8.623 1.00 0.00 C ATOM 0 HA PRO A 86 4.274 -3.716 -5.674 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.336 -6.233 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.912 -5.677 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.783 -5.691 -7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.343 -6.129 -8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.534 -3.700 -9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.801 -3.898 -9.321 1.00 0.00 H new ATOM 1291 N LEU A 87 5.945 -4.093 -3.947 1.00 0.00 N ATOM 1292 CA LEU A 87 6.946 -4.097 -2.887 1.00 0.00 C ATOM 1293 C LEU A 87 7.192 -5.513 -2.375 1.00 0.00 C ATOM 1294 O LEU A 87 7.183 -5.757 -1.168 1.00 0.00 O ATOM 1295 CB LEU A 87 6.501 -3.195 -1.734 1.00 0.00 C ATOM 1296 CG LEU A 87 5.662 -1.977 -2.120 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.273 -1.183 -0.883 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.419 -1.098 -3.104 1.00 0.00 C ATOM 0 H LEU A 87 4.980 -4.113 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 87 7.879 -3.713 -3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.928 -3.797 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.390 -2.847 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 87 4.750 -2.327 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.676 -0.320 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.690 -1.815 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.173 -0.844 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.806 -0.236 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.348 -0.757 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.646 -1.670 -4.003 1.00 0.00 H new ATOM 1310 N ASP A 88 7.412 -6.440 -3.299 1.00 0.00 N ATOM 1311 CA ASP A 88 7.664 -7.832 -2.942 1.00 0.00 C ATOM 1312 C ASP A 88 9.125 -8.037 -2.554 1.00 0.00 C ATOM 1313 O ASP A 88 9.897 -7.082 -2.478 1.00 0.00 O ATOM 1314 CB ASP A 88 7.298 -8.754 -4.106 1.00 0.00 C ATOM 1315 CG ASP A 88 8.178 -8.531 -5.320 1.00 0.00 C ATOM 1316 OD1 ASP A 88 9.231 -9.194 -5.419 1.00 0.00 O ATOM 1317 OD2 ASP A 88 7.813 -7.692 -6.171 1.00 0.00 O ATOM 0 H ASP A 88 7.421 -6.254 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 88 7.040 -8.080 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.384 -9.792 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.256 -8.591 -4.381 1.00 0.00 H new ATOM 1322 N GLN A 89 9.496 -9.290 -2.308 1.00 0.00 N ATOM 1323 CA GLN A 89 10.864 -9.620 -1.926 1.00 0.00 C ATOM 1324 C GLN A 89 11.866 -8.780 -2.711 1.00 0.00 C ATOM 1325 O GLN A 89 12.956 -8.483 -2.226 1.00 0.00 O ATOM 1326 CB GLN A 89 11.135 -11.107 -2.156 1.00 0.00 C ATOM 1327 CG GLN A 89 10.792 -11.578 -3.560 1.00 0.00 C ATOM 1328 CD GLN A 89 11.321 -12.968 -3.855 1.00 0.00 C ATOM 1329 OE1 GLN A 89 10.800 -13.963 -3.349 1.00 0.00 O ATOM 1330 NE2 GLN A 89 12.360 -13.045 -4.678 1.00 0.00 N ATOM 0 H GLN A 89 8.869 -10.092 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 89 10.983 -9.396 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.188 -11.310 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.559 -11.688 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 89 9.709 -11.571 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.203 -10.876 -4.285 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.760 -12.195 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.758 -13.954 -4.914 1.00 0.00 H new ATOM 1339 N ASN A 90 11.489 -8.402 -3.928 1.00 0.00 N ATOM 1340 CA ASN A 90 12.355 -7.598 -4.782 1.00 0.00 C ATOM 1341 C ASN A 90 12.718 -6.281 -4.102 1.00 0.00 C ATOM 1342 O ASN A 90 13.895 -5.973 -3.910 1.00 0.00 O ATOM 1343 CB ASN A 90 11.671 -7.321 -6.122 1.00 0.00 C ATOM 1344 CG ASN A 90 11.784 -8.490 -7.081 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.875 -9.008 -7.320 1.00 0.00 O ATOM 1346 ND2 ASN A 90 10.654 -8.911 -7.636 1.00 0.00 N ATOM 0 H ASN A 90 10.589 -8.640 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 90 13.272 -8.160 -4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.618 -7.096 -5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.116 -6.436 -6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.668 -9.694 -8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.772 -8.452 -7.409 1.00 0.00 H new ATOM 1353 N ILE A 91 11.699 -5.509 -3.739 1.00 0.00 N ATOM 1354 CA ILE A 91 11.911 -4.227 -3.078 1.00 0.00 C ATOM 1355 C ILE A 91 11.712 -4.345 -1.571 1.00 0.00 C ATOM 1356 O ILE A 91 10.785 -5.009 -1.107 1.00 0.00 O ATOM 1357 CB ILE A 91 10.958 -3.147 -3.627 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.604 -2.418 -4.806 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.585 -2.163 -2.528 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.715 -1.362 -5.425 1.00 0.00 C ATOM 0 H ILE A 91 10.719 -5.749 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 91 12.940 -3.932 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 91 10.047 -3.631 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.530 -1.951 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.874 -3.147 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.912 -1.406 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.089 -2.695 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.487 -1.682 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.238 -0.887 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.800 -1.826 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.466 -0.611 -4.675 1.00 0.00 H new ATOM 1372 N SER A 92 12.589 -3.696 -0.812 1.00 0.00 N ATOM 1373 CA SER A 92 12.512 -3.730 0.644 1.00 0.00 C ATOM 1374 C SER A 92 11.621 -2.607 1.167 1.00 0.00 C ATOM 1375 O SER A 92 10.998 -1.880 0.392 1.00 0.00 O ATOM 1376 CB SER A 92 13.910 -3.612 1.253 1.00 0.00 C ATOM 1377 OG SER A 92 14.620 -4.834 1.140 1.00 0.00 O ATOM 0 H SER A 92 13.361 -3.140 -1.181 1.00 0.00 H new ATOM 0 HA SER A 92 12.075 -4.684 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.463 -2.818 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.830 -3.330 2.303 1.00 0.00 H new ATOM 0 HG SER A 92 15.511 -4.732 1.535 1.00 0.00 H new ATOM 1383 N HIS A 93 11.566 -2.470 2.488 1.00 0.00 N ATOM 1384 CA HIS A 93 10.752 -1.436 3.117 1.00 0.00 C ATOM 1385 C HIS A 93 11.254 -0.045 2.738 1.00 0.00 C ATOM 1386 O HIS A 93 10.470 0.826 2.363 1.00 0.00 O ATOM 1387 CB HIS A 93 10.767 -1.599 4.637 1.00 0.00 C ATOM 1388 CG HIS A 93 11.859 -0.829 5.312 1.00 0.00 C ATOM 1389 ND1 HIS A 93 11.953 0.485 5.626 1.00 0.00 N flip ATOM 1390 CD2 HIS A 93 13.032 -1.409 5.746 1.00 0.00 C flip ATOM 1391 CE1 HIS A 93 13.168 0.672 6.238 1.00 0.00 C flip ATOM 1392 NE2 HIS A 93 13.799 -0.487 6.299 1.00 0.00 N flip ATOM 0 H HIS A 93 12.076 -3.062 3.144 1.00 0.00 H new ATOM 0 HA HIS A 93 9.729 -1.545 2.758 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.806 -1.277 5.038 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.876 -2.656 4.880 1.00 0.00 H new ATOM 0 HD1 HIS A 93 11.252 1.202 5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 93 13.284 -2.455 5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 93 13.546 1.613 6.609 1.00 0.00 H new ATOM 1401 N GLN A 94 12.564 0.154 2.840 1.00 0.00 N ATOM 1402 CA GLN A 94 13.169 1.439 2.510 1.00 0.00 C ATOM 1403 C GLN A 94 12.682 1.937 1.153 1.00 0.00 C ATOM 1404 O GLN A 94 11.940 2.916 1.072 1.00 0.00 O ATOM 1405 CB GLN A 94 14.694 1.323 2.505 1.00 0.00 C ATOM 1406 CG GLN A 94 15.283 0.985 3.866 1.00 0.00 C ATOM 1407 CD GLN A 94 15.412 -0.508 4.092 1.00 0.00 C ATOM 1408 OE1 GLN A 94 14.759 -1.308 3.421 1.00 0.00 O ATOM 1409 NE2 GLN A 94 16.257 -0.892 5.041 1.00 0.00 N ATOM 0 H GLN A 94 13.226 -0.558 3.148 1.00 0.00 H new ATOM 0 HA GLN A 94 12.869 2.159 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.989 0.555 1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.121 2.264 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 94 16.265 1.449 3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.654 1.414 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.778 -0.195 5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.385 -1.884 5.238 1.00 0.00 H new ATOM 1418 N GLN A 95 13.103 1.257 0.092 1.00 0.00 N ATOM 1419 CA GLN A 95 12.710 1.632 -1.261 1.00 0.00 C ATOM 1420 C GLN A 95 11.247 2.062 -1.303 1.00 0.00 C ATOM 1421 O GLN A 95 10.917 3.128 -1.822 1.00 0.00 O ATOM 1422 CB GLN A 95 12.939 0.466 -2.223 1.00 0.00 C ATOM 1423 CG GLN A 95 14.391 0.297 -2.639 1.00 0.00 C ATOM 1424 CD GLN A 95 15.169 -0.597 -1.694 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.587 -1.348 -0.912 1.00 0.00 O ATOM 1426 NE2 GLN A 95 16.493 -0.520 -1.761 1.00 0.00 N ATOM 0 H GLN A 95 13.716 0.444 0.143 1.00 0.00 H new ATOM 0 HA GLN A 95 13.327 2.475 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.595 -0.455 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.329 0.616 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.430 -0.122 -3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.869 1.276 -2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 95 16.934 0.117 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 95 17.069 -1.098 -1.149 1.00 0.00 H new ATOM 1435 N ALA A 96 10.373 1.224 -0.754 1.00 0.00 N ATOM 1436 CA ALA A 96 8.946 1.518 -0.727 1.00 0.00 C ATOM 1437 C ALA A 96 8.688 2.946 -0.259 1.00 0.00 C ATOM 1438 O ALA A 96 7.902 3.675 -0.865 1.00 0.00 O ATOM 1439 CB ALA A 96 8.220 0.526 0.170 1.00 0.00 C ATOM 0 H ALA A 96 10.629 0.336 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 96 8.561 1.422 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.155 0.757 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.368 -0.485 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.616 0.594 1.183 1.00 0.00 H new ATOM 1445 N ILE A 97 9.353 3.338 0.822 1.00 0.00 N ATOM 1446 CA ILE A 97 9.195 4.679 1.371 1.00 0.00 C ATOM 1447 C ILE A 97 9.682 5.737 0.386 1.00 0.00 C ATOM 1448 O ILE A 97 9.051 6.780 0.217 1.00 0.00 O ATOM 1449 CB ILE A 97 9.960 4.838 2.698 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.597 3.706 3.660 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.657 6.191 3.325 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.296 3.802 4.998 1.00 0.00 C ATOM 0 H ILE A 97 10.006 2.746 1.335 1.00 0.00 H new ATOM 0 HA ILE A 97 8.130 4.821 1.556 1.00 0.00 H new ATOM 0 HB ILE A 97 11.029 4.786 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.519 3.709 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.847 2.752 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.205 6.289 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.961 6.985 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.588 6.270 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.991 2.967 5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.375 3.768 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.026 4.740 5.483 1.00 0.00 H new ATOM 1464 N ALA A 98 10.808 5.459 -0.263 1.00 0.00 N ATOM 1465 CA ALA A 98 11.378 6.385 -1.234 1.00 0.00 C ATOM 1466 C ALA A 98 10.399 6.661 -2.370 1.00 0.00 C ATOM 1467 O ALA A 98 10.055 7.812 -2.641 1.00 0.00 O ATOM 1468 CB ALA A 98 12.686 5.834 -1.784 1.00 0.00 C ATOM 0 H ALA A 98 11.343 4.600 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 98 11.579 7.328 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.101 6.536 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.394 5.695 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.501 4.877 -2.271 1.00 0.00 H new ATOM 1474 N LEU A 99 9.953 5.598 -3.031 1.00 0.00 N ATOM 1475 CA LEU A 99 9.013 5.726 -4.139 1.00 0.00 C ATOM 1476 C LEU A 99 7.973 6.804 -3.850 1.00 0.00 C ATOM 1477 O LEU A 99 7.558 7.538 -4.747 1.00 0.00 O ATOM 1478 CB LEU A 99 8.318 4.389 -4.401 1.00 0.00 C ATOM 1479 CG LEU A 99 9.238 3.194 -4.658 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.429 1.909 -4.752 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.050 3.409 -5.927 1.00 0.00 C ATOM 0 H LEU A 99 10.227 4.639 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 99 9.574 6.017 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.685 4.157 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.659 4.507 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 99 9.929 3.104 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.100 1.069 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.892 1.748 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.715 1.988 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.699 2.549 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.375 3.525 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.658 4.307 -5.822 1.00 0.00 H new ATOM 1493 N LEU A 100 7.558 6.895 -2.591 1.00 0.00 N ATOM 1494 CA LEU A 100 6.568 7.885 -2.182 1.00 0.00 C ATOM 1495 C LEU A 100 7.198 9.270 -2.069 1.00 0.00 C ATOM 1496 O LEU A 100 6.840 10.186 -2.809 1.00 0.00 O ATOM 1497 CB LEU A 100 5.943 7.487 -0.844 1.00 0.00 C ATOM 1498 CG LEU A 100 5.457 6.041 -0.734 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.336 5.628 0.725 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.126 5.869 -1.451 1.00 0.00 C ATOM 0 H LEU A 100 7.892 6.295 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 100 5.789 7.921 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.676 7.664 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.099 8.149 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 100 6.191 5.394 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.989 4.596 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.309 5.711 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.623 6.280 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.796 4.834 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.383 6.527 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.245 6.123 -2.504 1.00 0.00 H new ATOM 1512 N GLN A 101 8.138 9.414 -1.141 1.00 0.00 N ATOM 1513 CA GLN A 101 8.818 10.687 -0.934 1.00 0.00 C ATOM 1514 C GLN A 101 9.460 11.178 -2.227 1.00 0.00 C ATOM 1515 O GLN A 101 9.843 12.342 -2.337 1.00 0.00 O ATOM 1516 CB GLN A 101 9.881 10.550 0.158 1.00 0.00 C ATOM 1517 CG GLN A 101 9.332 10.044 1.482 1.00 0.00 C ATOM 1518 CD GLN A 101 10.265 10.320 2.644 1.00 0.00 C ATOM 1519 OE1 GLN A 101 10.075 11.279 3.393 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.280 9.479 2.802 1.00 0.00 N ATOM 0 H GLN A 101 8.446 8.665 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 101 8.075 11.420 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.659 9.869 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.354 11.519 0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.368 10.515 1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.154 8.971 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.400 8.697 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.940 9.614 3.568 1.00 0.00 H new ATOM 1529 N GLN A 102 9.576 10.282 -3.202 1.00 0.00 N ATOM 1530 CA GLN A 102 10.173 10.625 -4.487 1.00 0.00 C ATOM 1531 C GLN A 102 9.097 10.926 -5.525 1.00 0.00 C ATOM 1532 O GLN A 102 9.010 12.041 -6.040 1.00 0.00 O ATOM 1533 CB GLN A 102 11.067 9.485 -4.978 1.00 0.00 C ATOM 1534 CG GLN A 102 12.417 9.427 -4.283 1.00 0.00 C ATOM 1535 CD GLN A 102 13.398 8.510 -4.986 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.473 8.937 -5.406 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.031 7.240 -5.118 1.00 0.00 N ATOM 0 H GLN A 102 9.265 9.314 -3.126 1.00 0.00 H new ATOM 0 HA GLN A 102 10.780 11.520 -4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.549 8.538 -4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.225 9.595 -6.051 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.838 10.431 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.278 9.086 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.130 6.929 -4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.650 6.576 -5.583 1.00 0.00 H new ATOM 1546 N THR A 103 8.277 9.924 -5.828 1.00 0.00 N ATOM 1547 CA THR A 103 7.207 10.081 -6.805 1.00 0.00 C ATOM 1548 C THR A 103 6.490 11.414 -6.626 1.00 0.00 C ATOM 1549 O THR A 103 5.815 11.639 -5.621 1.00 0.00 O ATOM 1550 CB THR A 103 6.178 8.940 -6.700 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.712 7.744 -7.281 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.881 9.315 -7.400 1.00 0.00 C ATOM 0 H THR A 103 8.334 8.995 -5.410 1.00 0.00 H new ATOM 0 HA THR A 103 7.672 10.051 -7.790 1.00 0.00 H new ATOM 0 HB THR A 103 5.966 8.767 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.100 6.997 -7.113 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.170 8.494 -7.313 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.463 10.208 -6.937 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.080 9.512 -8.453 1.00 0.00 H new ATOM 1560 N THR A 104 6.639 12.298 -7.608 1.00 0.00 N ATOM 1561 CA THR A 104 6.006 13.610 -7.559 1.00 0.00 C ATOM 1562 C THR A 104 4.639 13.586 -8.232 1.00 0.00 C ATOM 1563 O THR A 104 4.396 12.790 -9.138 1.00 0.00 O ATOM 1564 CB THR A 104 6.881 14.682 -8.236 1.00 0.00 C ATOM 1565 OG1 THR A 104 8.254 14.492 -7.876 1.00 0.00 O ATOM 1566 CG2 THR A 104 6.435 16.079 -7.832 1.00 0.00 C ATOM 0 H THR A 104 7.193 12.129 -8.447 1.00 0.00 H new ATOM 0 HA THR A 104 5.885 13.863 -6.506 1.00 0.00 H new ATOM 0 HB THR A 104 6.771 14.581 -9.316 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.804 15.176 -8.312 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.068 16.819 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.398 16.231 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.519 16.189 -6.751 1.00 0.00 H new ATOM 1574 N GLY A 105 3.748 14.466 -7.784 1.00 0.00 N ATOM 1575 CA GLY A 105 2.416 14.529 -8.355 1.00 0.00 C ATOM 1576 C GLY A 105 1.579 13.312 -8.012 1.00 0.00 C ATOM 1577 O GLY A 105 1.894 12.578 -7.076 1.00 0.00 O ATOM 0 H GLY A 105 3.926 15.136 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.912 15.426 -7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.493 14.620 -9.439 1.00 0.00 H new ATOM 1581 N SER A 106 0.508 13.099 -8.770 1.00 0.00 N ATOM 1582 CA SER A 106 -0.380 11.966 -8.538 1.00 0.00 C ATOM 1583 C SER A 106 0.405 10.752 -8.050 1.00 0.00 C ATOM 1584 O SER A 106 1.281 10.242 -8.749 1.00 0.00 O ATOM 1585 CB SER A 106 -1.140 11.616 -9.818 1.00 0.00 C ATOM 1586 OG SER A 106 -1.719 12.771 -10.400 1.00 0.00 O ATOM 0 H SER A 106 0.234 13.696 -9.550 1.00 0.00 H new ATOM 0 HA SER A 106 -1.095 12.249 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.462 11.147 -10.531 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.920 10.888 -9.594 1.00 0.00 H new ATOM 0 HG SER A 106 -2.198 12.520 -11.218 1.00 0.00 H new ATOM 1592 N LEU A 107 0.085 10.294 -6.844 1.00 0.00 N ATOM 1593 CA LEU A 107 0.759 9.140 -6.261 1.00 0.00 C ATOM 1594 C LEU A 107 -0.216 7.983 -6.062 1.00 0.00 C ATOM 1595 O LEU A 107 -1.032 7.998 -5.141 1.00 0.00 O ATOM 1596 CB LEU A 107 1.397 9.519 -4.923 1.00 0.00 C ATOM 1597 CG LEU A 107 2.064 8.380 -4.151 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.316 7.907 -4.874 1.00 0.00 C ATOM 1599 CD2 LEU A 107 2.400 8.822 -2.734 1.00 0.00 C ATOM 0 H LEU A 107 -0.637 10.704 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 107 1.539 8.819 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.142 10.293 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.628 9.960 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 107 1.364 7.546 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.777 7.096 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.049 7.551 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.020 8.734 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.874 7.999 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.082 9.672 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.485 9.112 -2.217 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.123 6.982 -6.931 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.995 5.817 -6.851 1.00 0.00 C ATOM 1613 C ARG A 108 -0.473 4.816 -5.824 1.00 0.00 C ATOM 1614 O ARG A 108 0.735 4.611 -5.700 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.112 5.145 -8.220 1.00 0.00 C ATOM 1616 CG ARG A 108 -1.966 3.888 -8.211 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.109 3.301 -9.607 1.00 0.00 C ATOM 1618 NE ARG A 108 -0.823 3.202 -10.293 1.00 0.00 N ATOM 1619 CZ ARG A 108 -0.698 2.882 -11.576 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -1.774 2.633 -12.309 1.00 0.00 N ATOM 1621 NH2 ARG A 108 0.507 2.812 -12.129 1.00 0.00 N ATOM 0 H ARG A 108 0.548 6.955 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.982 6.155 -6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.535 5.856 -8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.114 4.893 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.518 3.148 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -2.953 4.120 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.561 2.312 -9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.786 3.922 -10.194 1.00 0.00 H new ATOM 0 HE ARG A 108 0.025 3.389 -9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.702 2.687 -11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.674 2.388 -13.294 1.00 0.00 H new ATOM 0 HH21 ARG A 108 1.337 3.004 -11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.602 2.566 -13.114 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.391 4.196 -5.090 1.00 0.00 N ATOM 1636 CA LEU A 109 -1.023 3.217 -4.073 1.00 0.00 C ATOM 1637 C LEU A 109 -2.028 2.070 -4.034 1.00 0.00 C ATOM 1638 O LEU A 109 -3.175 2.251 -3.625 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.940 3.885 -2.700 1.00 0.00 C ATOM 1640 CG LEU A 109 -0.037 5.115 -2.606 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.081 5.704 -1.204 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.391 4.759 -2.992 1.00 0.00 C ATOM 0 H LEU A 109 -2.395 4.354 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.045 2.811 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.946 4.174 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.590 3.146 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.405 5.866 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.568 6.579 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.103 5.997 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.261 4.959 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.020 5.647 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.769 3.990 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.409 4.385 -4.016 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.589 0.890 -4.459 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.449 -0.286 -4.468 1.00 0.00 C ATOM 1656 C ILE A 110 -2.389 -1.022 -3.134 1.00 0.00 C ATOM 1657 O ILE A 110 -1.450 -1.772 -2.868 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.059 -1.260 -5.596 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.228 -0.588 -6.961 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.898 -2.527 -5.516 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.605 -1.365 -8.098 1.00 0.00 C ATOM 0 H ILE A 110 -0.643 0.723 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.465 0.068 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.011 -1.533 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.291 -0.455 -7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.783 0.407 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.611 -3.205 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.732 -3.013 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.953 -2.272 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.763 -0.830 -9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.535 -1.476 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.066 -2.351 -8.161 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.400 -0.803 -2.298 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.464 -1.448 -0.992 1.00 0.00 C ATOM 1675 C VAL A 111 -4.511 -2.555 -0.976 1.00 0.00 C ATOM 1676 O VAL A 111 -5.425 -2.571 -1.801 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.790 -0.432 0.120 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.788 0.713 0.108 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.210 0.090 -0.036 1.00 0.00 C ATOM 0 H VAL A 111 -4.185 -0.184 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.481 -1.879 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.716 -0.937 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.034 1.420 0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.785 0.320 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.826 1.220 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.424 0.806 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.313 0.580 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.912 -0.741 0.027 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.373 -3.480 -0.032 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.309 -4.591 0.093 1.00 0.00 C ATOM 1691 C ALA A 112 -6.088 -4.508 1.401 1.00 0.00 C ATOM 1692 O ALA A 112 -5.626 -3.908 2.372 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.569 -5.917 0.000 1.00 0.00 C ATOM 0 H ALA A 112 -3.622 -3.482 0.658 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.022 -4.527 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.280 -6.738 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.063 -5.985 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.833 -5.980 0.802 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.271 -5.112 1.419 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.115 -5.105 2.608 1.00 0.00 C ATOM 1701 C ARG A 113 -8.694 -6.491 2.873 1.00 0.00 C ATOM 1702 O ARG A 113 -8.991 -7.238 1.940 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.247 -4.089 2.450 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.876 -2.892 1.589 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.704 -1.669 1.949 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.485 -0.566 1.016 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.966 0.658 1.200 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -10.690 0.935 2.276 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.724 1.609 0.306 1.00 0.00 N ATOM 0 H ARG A 113 -7.667 -5.613 0.624 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.497 -4.820 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.112 -4.587 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.548 -3.737 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.817 -2.666 1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.026 -3.138 0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.761 -1.935 1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.452 -1.345 2.959 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.933 -0.746 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.879 0.207 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.058 1.876 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.168 1.400 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.094 2.549 0.448 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.851 -6.828 4.149 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.393 -8.126 4.535 1.00 0.00 C ATOM 1725 C GLU A 114 -10.918 -8.085 4.586 1.00 0.00 C ATOM 1726 O GLU A 114 -11.521 -7.149 5.112 1.00 0.00 O ATOM 1727 CB GLU A 114 -8.838 -8.551 5.895 1.00 0.00 C ATOM 1728 CG GLU A 114 -8.992 -10.036 6.178 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.216 -10.480 7.403 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -8.468 -9.930 8.496 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -7.358 -11.377 7.270 1.00 0.00 O ATOM 0 H GLU A 114 -8.611 -6.221 4.933 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.091 -8.855 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.781 -8.288 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.345 -7.986 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.048 -10.268 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.653 -10.604 5.312 1.00 0.00 H new