USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 57 THR OG1 : rot -39:sc= 0.905 USER MOD Set 1.2: A 94 THR OG1 : rot 69:sc= 1.04 USER MOD Single : A 15 MET CE :methyl 179:sc= -0.329 (180deg=-0.33) USER MOD Single : A 20 ASN : amide:sc= -0.0174 K(o=-0.017,f=-4.3!) USER MOD Single : A 24 ASN : amide:sc= -0.001 X(o=-0.001,f=-0.22) USER MOD Single : A 27 ASN : amide:sc= -0.284 K(o=-0.28,f=-0.84) USER MOD Single : A 28 SER OG : rot 140:sc= -0.393 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.835 K(o=-0.84,f=-2.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 70:sc= -0.215 USER MOD Single : A 46 HIS : no HD1:sc= -0.0781 X(o=-0.078,f=-0.00064) USER MOD Single : A 48 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.2) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0239) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 83 MET CE :methyl -151:sc= -4.6! (180deg=-6.7!) USER MOD Single : A 91 SER OG : rot 89:sc= 1.21 USER MOD Single : A 92 HIS : no HD1:sc= -0.0701 X(o=-0.07,f=-0.39) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.0643 USER MOD Single : A 96 ASN : amide:sc= -1.02 K(o=-1,f=-3.1!) USER MOD Single : A 101 ASN : amide:sc= -0.257 K(o=-0.26,f=-9.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -53:sc= 1.27 USER MOD Single : A 115 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.26) USER MOD Single : A 116 THR OG1 : rot -174:sc= 0.747 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 5.755 -17.578 8.297 1.00 0.00 N ATOM 129 CA LEU A 13 5.219 -16.584 7.343 1.00 0.00 C ATOM 130 C LEU A 13 3.692 -16.610 7.098 1.00 0.00 C ATOM 131 O LEU A 13 3.056 -17.651 7.268 1.00 0.00 O ATOM 132 CB LEU A 13 5.992 -16.683 6.016 1.00 0.00 C ATOM 133 CG LEU A 13 7.384 -16.043 6.132 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.294 -16.567 5.039 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.341 -14.511 6.082 1.00 0.00 C ATOM 0 HA LEU A 13 5.376 -15.618 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.093 -17.730 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.427 -16.189 5.226 1.00 0.00 H new ATOM 0 HG LEU A 13 7.777 -16.322 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.277 -16.106 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.390 -17.649 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.870 -16.324 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.353 -14.116 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.906 -14.190 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.734 -14.137 6.906 1.00 0.00 H new ATOM 147 N PRO A 14 3.090 -15.500 6.614 1.00 0.00 N ATOM 148 CA PRO A 14 1.691 -15.466 6.183 1.00 0.00 C ATOM 149 C PRO A 14 1.463 -16.356 4.953 1.00 0.00 C ATOM 150 O PRO A 14 2.409 -16.778 4.281 1.00 0.00 O ATOM 151 CB PRO A 14 1.354 -13.995 5.865 1.00 0.00 C ATOM 152 CG PRO A 14 2.720 -13.395 5.586 1.00 0.00 C ATOM 153 CD PRO A 14 3.693 -14.189 6.436 1.00 0.00 C ATOM 0 HA PRO A 14 1.042 -15.853 6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.690 -13.908 5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.858 -13.503 6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.972 -13.469 4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.744 -12.337 5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.664 -14.269 5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.859 -13.702 7.397 1.00 0.00 H new ATOM 161 N MET A 15 0.195 -16.607 4.632 1.00 0.00 N ATOM 162 CA MET A 15 -0.252 -17.609 3.669 1.00 0.00 C ATOM 163 C MET A 15 -1.108 -17.033 2.544 1.00 0.00 C ATOM 164 O MET A 15 -1.039 -17.545 1.428 1.00 0.00 O ATOM 165 CB MET A 15 -1.055 -18.693 4.403 1.00 0.00 C ATOM 166 CG MET A 15 -0.157 -19.543 5.312 1.00 0.00 C ATOM 167 SD MET A 15 -0.801 -21.182 5.754 1.00 0.00 S ATOM 168 CE MET A 15 -2.339 -20.749 6.579 1.00 0.00 C ATOM 0 H MET A 15 -0.580 -16.096 5.054 1.00 0.00 H new ATOM 0 HA MET A 15 0.645 -18.022 3.207 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.838 -18.225 4.999 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.549 -19.336 3.675 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.806 -19.673 4.819 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.028 -18.987 6.231 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.853 -21.658 6.890 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.122 -20.137 7.454 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.975 -20.189 5.893 1.00 0.00 H new ATOM 178 N VAL A 16 -1.944 -16.022 2.808 1.00 0.00 N ATOM 179 CA VAL A 16 -2.832 -15.444 1.798 1.00 0.00 C ATOM 180 C VAL A 16 -2.841 -13.910 1.908 1.00 0.00 C ATOM 181 O VAL A 16 -2.081 -13.326 2.690 1.00 0.00 O ATOM 182 CB VAL A 16 -4.235 -16.111 1.783 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.176 -17.640 1.628 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.154 -15.793 2.964 1.00 0.00 C ATOM 0 H VAL A 16 -2.022 -15.584 3.726 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.434 -15.672 0.809 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.677 -15.648 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.188 -18.045 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.682 -17.892 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.616 -18.069 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.102 -16.317 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.680 -16.117 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.335 -14.719 3.005 1.00 0.00 H new ATOM 194 N ALA A 17 -3.659 -13.253 1.088 1.00 0.00 N ATOM 195 CA ALA A 17 -3.821 -11.820 0.967 1.00 0.00 C ATOM 196 C ALA A 17 -5.294 -11.451 1.148 1.00 0.00 C ATOM 197 O ALA A 17 -6.147 -12.346 1.141 1.00 0.00 O ATOM 198 CB ALA A 17 -3.307 -11.377 -0.412 1.00 0.00 C ATOM 0 H ALA A 17 -4.270 -13.756 0.444 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.247 -11.308 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.424 -10.298 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.253 -11.638 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.879 -11.880 -1.192 1.00 0.00 H new ATOM 204 N PRO A 18 -5.621 -10.156 1.244 1.00 0.00 N ATOM 205 CA PRO A 18 -6.993 -9.719 1.079 1.00 0.00 C ATOM 206 C PRO A 18 -7.479 -10.009 -0.339 1.00 0.00 C ATOM 207 O PRO A 18 -6.725 -9.855 -1.305 1.00 0.00 O ATOM 208 CB PRO A 18 -6.998 -8.232 1.411 1.00 0.00 C ATOM 209 CG PRO A 18 -5.541 -7.801 1.547 1.00 0.00 C ATOM 210 CD PRO A 18 -4.695 -9.040 1.334 1.00 0.00 C ATOM 0 HA PRO A 18 -7.681 -10.252 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.497 -7.663 0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.544 -8.045 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.295 -7.034 0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.356 -7.371 2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.101 -8.953 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.996 -9.180 2.159 1.00 0.00 H new ATOM 218 N GLY A 19 -8.743 -10.421 -0.435 1.00 0.00 N ATOM 219 CA GLY A 19 -9.456 -10.577 -1.691 1.00 0.00 C ATOM 220 C GLY A 19 -9.806 -9.213 -2.291 1.00 0.00 C ATOM 221 O GLY A 19 -9.441 -8.167 -1.747 1.00 0.00 O ATOM 0 H GLY A 19 -9.308 -10.660 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.844 -11.142 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.367 -11.152 -1.528 1.00 0.00 H new ATOM 225 N ASN A 20 -10.512 -9.264 -3.426 1.00 0.00 N ATOM 226 CA ASN A 20 -10.930 -8.182 -4.325 1.00 0.00 C ATOM 227 C ASN A 20 -11.012 -6.808 -3.652 1.00 0.00 C ATOM 228 O ASN A 20 -12.064 -6.368 -3.187 1.00 0.00 O ATOM 229 CB ASN A 20 -12.254 -8.572 -5.003 1.00 0.00 C ATOM 230 CG ASN A 20 -12.861 -7.486 -5.877 1.00 0.00 C ATOM 231 OD1 ASN A 20 -13.953 -6.996 -5.624 1.00 0.00 O ATOM 232 ND2 ASN A 20 -12.199 -7.127 -6.957 1.00 0.00 N ATOM 0 H ASN A 20 -10.841 -10.164 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.152 -8.066 -5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.087 -9.460 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.975 -8.845 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.596 -6.434 -7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.289 -7.542 -7.159 1.00 0.00 H new ATOM 239 N VAL A 21 -9.879 -6.110 -3.630 1.00 0.00 N ATOM 240 CA VAL A 21 -9.749 -4.760 -3.110 1.00 0.00 C ATOM 241 C VAL A 21 -10.674 -3.871 -3.938 1.00 0.00 C ATOM 242 O VAL A 21 -10.822 -4.049 -5.151 1.00 0.00 O ATOM 243 CB VAL A 21 -8.269 -4.348 -3.233 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.006 -2.912 -2.761 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.386 -5.293 -2.404 1.00 0.00 C ATOM 0 H VAL A 21 -9.000 -6.485 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.033 -4.674 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.024 -4.409 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.947 -2.681 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.594 -2.218 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.290 -2.816 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.343 -4.992 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.684 -5.244 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.504 -6.314 -2.768 1.00 0.00 H new ATOM 255 N ARG A 22 -11.254 -2.876 -3.283 1.00 0.00 N ATOM 256 CA ARG A 22 -12.002 -1.783 -3.873 1.00 0.00 C ATOM 257 C ARG A 22 -11.303 -0.505 -3.469 1.00 0.00 C ATOM 258 O ARG A 22 -10.545 -0.483 -2.508 1.00 0.00 O ATOM 259 CB ARG A 22 -13.451 -1.802 -3.360 1.00 0.00 C ATOM 260 CG ARG A 22 -14.204 -3.097 -3.695 1.00 0.00 C ATOM 261 CD ARG A 22 -14.198 -3.343 -5.205 1.00 0.00 C ATOM 262 NE ARG A 22 -15.041 -4.471 -5.581 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.079 -4.464 -6.415 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.528 -3.346 -6.982 1.00 0.00 N ATOM 265 NH2 ARG A 22 -16.683 -5.608 -6.697 1.00 0.00 N ATOM 0 H ARG A 22 -11.211 -2.809 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.040 -1.868 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.447 -1.663 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.990 -0.957 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.739 -3.939 -3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.231 -3.032 -3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.543 -2.446 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.177 -3.528 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.809 -5.369 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.074 -2.455 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.326 -3.381 -7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.352 -6.477 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.480 -5.621 -7.334 1.00 0.00 H new ATOM 279 N VAL A 23 -11.513 0.556 -4.221 1.00 0.00 N ATOM 280 CA VAL A 23 -11.034 1.883 -3.909 1.00 0.00 C ATOM 281 C VAL A 23 -12.096 2.848 -4.436 1.00 0.00 C ATOM 282 O VAL A 23 -12.749 2.556 -5.449 1.00 0.00 O ATOM 283 CB VAL A 23 -9.568 2.044 -4.405 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.177 1.048 -5.498 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.073 3.451 -4.744 1.00 0.00 C ATOM 0 H VAL A 23 -12.039 0.515 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.932 2.105 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.030 1.799 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.142 1.220 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.281 0.032 -5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.828 1.181 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.035 3.402 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.688 3.871 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.143 4.084 -3.859 1.00 0.00 H new ATOM 295 N ASN A 24 -12.355 3.923 -3.700 1.00 0.00 N ATOM 296 CA ASN A 24 -13.275 4.999 -4.067 1.00 0.00 C ATOM 297 C ASN A 24 -12.519 6.318 -4.026 1.00 0.00 C ATOM 298 O ASN A 24 -11.779 6.558 -3.074 1.00 0.00 O ATOM 299 CB ASN A 24 -14.472 5.050 -3.108 1.00 0.00 C ATOM 300 CG ASN A 24 -15.320 6.293 -3.363 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.615 6.623 -4.502 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.730 7.000 -2.325 1.00 0.00 N ATOM 0 H ASN A 24 -11.913 4.077 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.660 4.816 -5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.083 4.156 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.118 5.051 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.300 7.833 -2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.476 6.713 -1.380 1.00 0.00 H new ATOM 309 N VAL A 25 -12.713 7.186 -5.013 1.00 0.00 N ATOM 310 CA VAL A 25 -12.074 8.492 -5.024 1.00 0.00 C ATOM 311 C VAL A 25 -13.041 9.513 -4.449 1.00 0.00 C ATOM 312 O VAL A 25 -14.042 9.891 -5.063 1.00 0.00 O ATOM 313 CB VAL A 25 -11.529 8.825 -6.411 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.885 10.212 -6.391 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.482 7.759 -6.779 1.00 0.00 C ATOM 0 H VAL A 25 -13.311 7.005 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.192 8.502 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.333 8.829 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.497 10.447 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.630 10.955 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.068 10.224 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.076 7.974 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.676 7.772 -6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.951 6.775 -6.785 1.00 0.00 H new ATOM 325 N VAL A 26 -12.749 9.908 -3.218 1.00 0.00 N ATOM 326 CA VAL A 26 -13.591 10.771 -2.420 1.00 0.00 C ATOM 327 C VAL A 26 -13.401 12.228 -2.828 1.00 0.00 C ATOM 328 O VAL A 26 -14.387 12.936 -3.008 1.00 0.00 O ATOM 329 CB VAL A 26 -13.237 10.566 -0.941 1.00 0.00 C ATOM 330 CG1 VAL A 26 -14.055 11.502 -0.071 1.00 0.00 C ATOM 331 CG2 VAL A 26 -13.395 9.107 -0.494 1.00 0.00 C ATOM 0 H VAL A 26 -11.894 9.626 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.639 10.519 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.181 10.809 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.794 11.346 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.843 12.535 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.116 11.298 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.132 9.019 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.429 8.792 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.737 8.472 -1.087 1.00 0.00 H new ATOM 341 N ASN A 27 -12.151 12.681 -2.930 1.00 0.00 N ATOM 342 CA ASN A 27 -11.791 14.071 -3.213 1.00 0.00 C ATOM 343 C ASN A 27 -10.760 14.049 -4.346 1.00 0.00 C ATOM 344 O ASN A 27 -10.406 12.981 -4.840 1.00 0.00 O ATOM 345 CB ASN A 27 -11.217 14.777 -1.970 1.00 0.00 C ATOM 346 CG ASN A 27 -11.994 14.658 -0.669 1.00 0.00 C ATOM 347 OD1 ASN A 27 -13.202 14.852 -0.586 1.00 0.00 O ATOM 348 ND2 ASN A 27 -11.285 14.326 0.396 1.00 0.00 N ATOM 0 H ASN A 27 -11.339 12.075 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.679 14.633 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.213 14.389 -1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.114 15.837 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.742 14.228 1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.281 14.168 0.311 1.00 0.00 H new ATOM 355 N SER A 28 -10.238 15.199 -4.770 1.00 0.00 N ATOM 356 CA SER A 28 -9.383 15.214 -5.964 1.00 0.00 C ATOM 357 C SER A 28 -8.012 14.580 -5.723 1.00 0.00 C ATOM 358 O SER A 28 -7.439 14.061 -6.676 1.00 0.00 O ATOM 359 CB SER A 28 -9.172 16.619 -6.542 1.00 0.00 C ATOM 360 OG SER A 28 -10.128 17.594 -6.148 1.00 0.00 O ATOM 0 H SER A 28 -10.382 16.105 -4.325 1.00 0.00 H new ATOM 0 HA SER A 28 -9.934 14.614 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.182 16.968 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.177 16.550 -7.630 1.00 0.00 H new ATOM 0 HG SER A 28 -9.675 18.446 -5.977 1.00 0.00 H new ATOM 366 N THR A 29 -7.483 14.643 -4.499 1.00 0.00 N ATOM 367 CA THR A 29 -6.157 14.143 -4.116 1.00 0.00 C ATOM 368 C THR A 29 -6.258 13.140 -2.966 1.00 0.00 C ATOM 369 O THR A 29 -5.267 12.853 -2.287 1.00 0.00 O ATOM 370 CB THR A 29 -5.225 15.316 -3.763 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.771 16.121 -2.740 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.004 16.209 -4.974 1.00 0.00 C ATOM 0 H THR A 29 -7.985 15.060 -3.715 1.00 0.00 H new ATOM 0 HA THR A 29 -5.727 13.615 -4.967 1.00 0.00 H new ATOM 0 HB THR A 29 -4.285 14.877 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.155 16.856 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.343 17.032 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.550 15.628 -5.777 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.961 16.608 -5.311 1.00 0.00 H new ATOM 380 N LEU A 30 -7.469 12.657 -2.695 1.00 0.00 N ATOM 381 CA LEU A 30 -7.780 11.676 -1.681 1.00 0.00 C ATOM 382 C LEU A 30 -8.504 10.545 -2.380 1.00 0.00 C ATOM 383 O LEU A 30 -9.458 10.782 -3.124 1.00 0.00 O ATOM 384 CB LEU A 30 -8.675 12.311 -0.604 1.00 0.00 C ATOM 385 CG LEU A 30 -8.928 11.483 0.656 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.891 10.331 0.407 1.00 0.00 C ATOM 387 CD2 LEU A 30 -7.615 11.042 1.301 1.00 0.00 C ATOM 0 H LEU A 30 -8.296 12.961 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.880 11.309 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.226 13.258 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.639 12.544 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.429 12.127 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.038 9.773 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.848 10.724 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.477 9.669 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.828 10.455 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.048 10.435 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.031 11.921 1.574 1.00 0.00 H new ATOM 399 N ALA A 31 -8.144 9.324 -2.029 1.00 0.00 N ATOM 400 CA ALA A 31 -8.878 8.131 -2.385 1.00 0.00 C ATOM 401 C ALA A 31 -8.874 7.262 -1.145 1.00 0.00 C ATOM 402 O ALA A 31 -8.000 7.394 -0.291 1.00 0.00 O ATOM 403 CB ALA A 31 -8.222 7.429 -3.576 1.00 0.00 C ATOM 0 H ALA A 31 -7.310 9.133 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.898 8.356 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.790 6.533 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.208 8.103 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.201 7.150 -3.317 1.00 0.00 H new ATOM 409 N GLU A 32 -9.850 6.388 -1.032 1.00 0.00 N ATOM 410 CA GLU A 32 -9.980 5.431 0.026 1.00 0.00 C ATOM 411 C GLU A 32 -9.894 4.057 -0.584 1.00 0.00 C ATOM 412 O GLU A 32 -10.281 3.869 -1.736 1.00 0.00 O ATOM 413 CB GLU A 32 -11.331 5.673 0.674 1.00 0.00 C ATOM 414 CG GLU A 32 -11.161 5.816 2.161 1.00 0.00 C ATOM 415 CD GLU A 32 -11.049 4.519 2.935 1.00 0.00 C ATOM 416 OE1 GLU A 32 -9.929 3.975 3.024 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.060 4.145 3.574 1.00 0.00 O ATOM 0 H GLU A 32 -10.607 6.329 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.199 5.520 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.787 6.573 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.005 4.845 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.267 6.410 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.007 6.380 2.553 1.00 0.00 H new ATOM 424 N VAL A 33 -9.398 3.098 0.177 1.00 0.00 N ATOM 425 CA VAL A 33 -9.159 1.755 -0.306 1.00 0.00 C ATOM 426 C VAL A 33 -9.828 0.847 0.708 1.00 0.00 C ATOM 427 O VAL A 33 -9.681 1.063 1.906 1.00 0.00 O ATOM 428 CB VAL A 33 -7.650 1.499 -0.438 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.464 0.116 -1.048 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.939 2.518 -1.340 1.00 0.00 C ATOM 0 H VAL A 33 -9.148 3.234 1.157 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.567 1.578 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.212 1.585 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.400 -0.095 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.919 -0.632 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.940 0.084 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.876 2.280 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.368 2.479 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.067 3.519 -0.929 1.00 0.00 H new ATOM 440 N HIS A 34 -10.562 -0.155 0.234 1.00 0.00 N ATOM 441 CA HIS A 34 -11.359 -1.050 1.062 1.00 0.00 C ATOM 442 C HIS A 34 -10.989 -2.475 0.661 1.00 0.00 C ATOM 443 O HIS A 34 -11.073 -2.834 -0.519 1.00 0.00 O ATOM 444 CB HIS A 34 -12.872 -0.783 0.898 1.00 0.00 C ATOM 445 CG HIS A 34 -13.269 0.610 0.464 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.092 0.889 -0.605 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.883 1.805 1.021 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.181 2.220 -0.713 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.476 2.814 0.257 1.00 0.00 N ATOM 0 H HIS A 34 -10.620 -0.371 -0.761 1.00 0.00 H new ATOM 0 HA HIS A 34 -11.145 -0.885 2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -13.267 -1.492 0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.361 -0.996 1.849 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -14.551 0.204 -1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.245 1.939 1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.742 2.741 -1.475 1.00 0.00 H new ATOM 457 N TRP A 35 -10.551 -3.293 1.607 1.00 0.00 N ATOM 458 CA TRP A 35 -10.120 -4.661 1.375 1.00 0.00 C ATOM 459 C TRP A 35 -10.807 -5.612 2.346 1.00 0.00 C ATOM 460 O TRP A 35 -11.268 -5.218 3.415 1.00 0.00 O ATOM 461 CB TRP A 35 -8.597 -4.737 1.472 1.00 0.00 C ATOM 462 CG TRP A 35 -7.982 -4.329 2.776 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.816 -5.125 3.860 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.451 -3.023 3.151 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.176 -4.409 4.856 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.899 -3.120 4.459 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.403 -1.764 2.527 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.290 -2.033 5.100 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.815 -0.662 3.165 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.238 -0.798 4.438 1.00 0.00 C ATOM 0 H TRP A 35 -10.484 -3.013 2.586 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.410 -4.973 0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.294 -5.762 1.259 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.175 -4.110 0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.133 -6.155 3.935 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.938 -4.789 5.772 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.826 -1.644 1.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.868 -2.145 6.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.806 0.299 2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.755 0.047 4.906 1.00 0.00 H new ATOM 481 N ASP A 36 -10.857 -6.879 1.954 1.00 0.00 N ATOM 482 CA ASP A 36 -11.492 -7.948 2.716 1.00 0.00 C ATOM 483 C ASP A 36 -10.737 -8.226 4.029 1.00 0.00 C ATOM 484 O ASP A 36 -9.507 -8.183 4.027 1.00 0.00 O ATOM 485 CB ASP A 36 -11.598 -9.180 1.803 1.00 0.00 C ATOM 486 CG ASP A 36 -11.144 -10.492 2.441 1.00 0.00 C ATOM 487 OD1 ASP A 36 -11.886 -11.052 3.271 1.00 0.00 O ATOM 488 OD2 ASP A 36 -10.163 -11.087 1.936 1.00 0.00 O ATOM 0 H ASP A 36 -10.448 -7.200 1.077 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.496 -7.656 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.634 -9.288 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.003 -9.003 0.907 1.00 0.00 H new ATOM 493 N PRO A 37 -11.427 -8.466 5.151 1.00 0.00 N ATOM 494 CA PRO A 37 -10.813 -8.858 6.396 1.00 0.00 C ATOM 495 C PRO A 37 -10.382 -10.301 6.357 1.00 0.00 C ATOM 496 O PRO A 37 -11.185 -11.228 6.441 1.00 0.00 O ATOM 497 CB PRO A 37 -11.857 -8.685 7.483 1.00 0.00 C ATOM 498 CG PRO A 37 -13.203 -8.603 6.748 1.00 0.00 C ATOM 499 CD PRO A 37 -12.866 -8.419 5.268 1.00 0.00 C ATOM 0 HA PRO A 37 -9.929 -8.247 6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.841 -9.523 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.672 -7.782 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.789 -9.509 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.800 -7.769 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.327 -9.203 4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.251 -7.468 4.901 1.00 0.00 H new ATOM 507 N VAL A 38 -9.081 -10.505 6.308 1.00 0.00 N ATOM 508 CA VAL A 38 -8.475 -11.752 6.056 1.00 0.00 C ATOM 509 C VAL A 38 -8.517 -12.538 7.382 1.00 0.00 C ATOM 510 O VAL A 38 -8.607 -11.954 8.476 1.00 0.00 O ATOM 511 CB VAL A 38 -7.085 -11.304 5.560 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.019 -12.216 5.090 1.00 0.00 C ATOM 513 CG2 VAL A 38 -7.214 -10.250 4.433 1.00 0.00 C ATOM 0 H VAL A 38 -8.404 -9.755 6.453 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.925 -12.427 5.328 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.727 -10.997 6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.144 -11.634 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.748 -12.903 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.378 -12.784 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.220 -9.950 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.763 -10.679 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.749 -9.378 4.810 1.00 0.00 H new ATOM 523 N PRO A 39 -8.403 -13.860 7.313 1.00 0.00 N ATOM 524 CA PRO A 39 -8.237 -14.752 8.457 1.00 0.00 C ATOM 525 C PRO A 39 -6.960 -14.408 9.249 1.00 0.00 C ATOM 526 O PRO A 39 -5.942 -14.020 8.662 1.00 0.00 O ATOM 527 CB PRO A 39 -8.126 -16.157 7.848 1.00 0.00 C ATOM 528 CG PRO A 39 -8.343 -15.999 6.342 1.00 0.00 C ATOM 529 CD PRO A 39 -8.128 -14.515 6.066 1.00 0.00 C ATOM 0 HA PRO A 39 -9.066 -14.667 9.159 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.149 -16.593 8.055 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.871 -16.826 8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.641 -16.611 5.776 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.346 -16.313 6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.108 -14.319 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.793 -14.160 5.279 1.00 0.00 H new ATOM 537 N LEU A 40 -6.976 -14.600 10.572 1.00 0.00 N ATOM 538 CA LEU A 40 -5.751 -14.718 11.378 1.00 0.00 C ATOM 539 C LEU A 40 -5.018 -16.003 10.996 1.00 0.00 C ATOM 540 O LEU A 40 -3.788 -16.012 10.992 1.00 0.00 O ATOM 541 CB LEU A 40 -6.044 -14.747 12.896 1.00 0.00 C ATOM 542 CG LEU A 40 -6.174 -13.402 13.638 1.00 0.00 C ATOM 543 CD1 LEU A 40 -4.799 -12.803 13.932 1.00 0.00 C ATOM 544 CD2 LEU A 40 -7.088 -12.414 12.919 1.00 0.00 C ATOM 0 H LEU A 40 -7.835 -14.678 11.116 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.140 -13.840 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.971 -15.301 13.046 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.250 -15.318 13.378 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.657 -13.612 14.592 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.920 -11.855 14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.228 -13.491 14.555 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.268 -12.635 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.140 -11.486 13.489 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.691 -12.208 11.925 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.087 -12.841 12.829 1.00 0.00 H new ATOM 556 N LYS A 41 -5.765 -17.070 10.677 1.00 0.00 N ATOM 557 CA LYS A 41 -5.194 -18.359 10.280 1.00 0.00 C ATOM 558 C LYS A 41 -4.135 -18.196 9.196 1.00 0.00 C ATOM 559 O LYS A 41 -3.142 -18.906 9.219 1.00 0.00 O ATOM 560 CB LYS A 41 -6.290 -19.326 9.802 1.00 0.00 C ATOM 561 CG LYS A 41 -7.415 -19.619 10.808 1.00 0.00 C ATOM 562 CD LYS A 41 -6.956 -20.258 12.123 1.00 0.00 C ATOM 563 CE LYS A 41 -6.539 -21.715 11.924 1.00 0.00 C ATOM 564 NZ LYS A 41 -5.806 -22.228 13.097 1.00 0.00 N ATOM 0 H LYS A 41 -6.785 -17.060 10.688 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.714 -18.780 11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.737 -18.918 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.820 -20.270 9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.931 -18.686 11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.142 -20.279 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.119 -19.692 12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.762 -20.206 12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.423 -22.328 11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.912 -21.798 11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.536 -23.219 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.950 -21.657 13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.414 -22.170 13.939 1.00 0.00 H new ATOM 578 N SER A 42 -4.328 -17.262 8.262 1.00 0.00 N ATOM 579 CA SER A 42 -3.394 -16.987 7.184 1.00 0.00 C ATOM 580 C SER A 42 -2.360 -15.916 7.517 1.00 0.00 C ATOM 581 O SER A 42 -1.411 -15.773 6.749 1.00 0.00 O ATOM 582 CB SER A 42 -4.199 -16.590 5.956 1.00 0.00 C ATOM 583 OG SER A 42 -5.198 -15.658 6.308 1.00 0.00 O ATOM 0 H SER A 42 -5.157 -16.667 8.239 1.00 0.00 H new ATOM 0 HA SER A 42 -2.815 -17.893 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.539 -16.159 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.656 -17.474 5.511 1.00 0.00 H new ATOM 0 HG SER A 42 -4.780 -14.802 6.540 1.00 0.00 H new ATOM 589 N ILE A 43 -2.519 -15.130 8.588 1.00 0.00 N ATOM 590 CA ILE A 43 -1.433 -14.271 9.066 1.00 0.00 C ATOM 591 C ILE A 43 -0.315 -15.159 9.622 1.00 0.00 C ATOM 592 O ILE A 43 0.851 -14.841 9.402 1.00 0.00 O ATOM 593 CB ILE A 43 -1.906 -13.243 10.122 1.00 0.00 C ATOM 594 CG1 ILE A 43 -2.982 -12.298 9.547 1.00 0.00 C ATOM 595 CG2 ILE A 43 -0.709 -12.386 10.581 1.00 0.00 C ATOM 596 CD1 ILE A 43 -3.711 -11.460 10.608 1.00 0.00 C ATOM 0 H ILE A 43 -3.379 -15.072 9.134 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.062 -13.684 8.226 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.330 -13.799 10.958 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.514 -11.626 8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.716 -12.890 9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.043 -11.663 11.325 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.053 -13.030 11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.290 -11.858 9.724 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.451 -10.823 10.123 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.210 -12.123 11.315 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.990 -10.839 11.140 1.00 0.00 H new ATOM 608 N ARG A 44 -0.659 -16.257 10.314 1.00 0.00 N ATOM 609 CA ARG A 44 0.295 -17.126 11.010 1.00 0.00 C ATOM 610 C ARG A 44 1.267 -16.295 11.854 1.00 0.00 C ATOM 611 O ARG A 44 2.483 -16.356 11.691 1.00 0.00 O ATOM 612 CB ARG A 44 0.982 -18.083 10.028 1.00 0.00 C ATOM 613 CG ARG A 44 -0.044 -19.075 9.462 1.00 0.00 C ATOM 614 CD ARG A 44 0.546 -20.440 9.119 1.00 0.00 C ATOM 615 NE ARG A 44 0.966 -21.173 10.326 1.00 0.00 N ATOM 616 CZ ARG A 44 0.874 -22.485 10.558 1.00 0.00 C ATOM 617 NH1 ARG A 44 0.327 -23.318 9.674 1.00 0.00 N ATOM 618 NH2 ARG A 44 1.339 -22.964 11.703 1.00 0.00 N ATOM 0 H ARG A 44 -1.626 -16.569 10.405 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.243 -17.763 11.713 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.441 -17.518 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.783 -18.623 10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.846 -19.208 10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.493 -18.648 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.192 -21.029 8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.402 -20.310 8.456 1.00 0.00 H new ATOM 0 HE ARG A 44 1.376 -20.612 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.036 -22.958 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.271 -24.315 9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.757 -22.334 12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.278 -23.963 11.900 1.00 0.00 H new ATOM 632 N GLY A 45 0.707 -15.488 12.750 1.00 0.00 N ATOM 633 CA GLY A 45 1.406 -14.517 13.572 1.00 0.00 C ATOM 634 C GLY A 45 0.413 -13.443 13.992 1.00 0.00 C ATOM 635 O GLY A 45 -0.766 -13.503 13.623 1.00 0.00 O ATOM 0 H GLY A 45 -0.297 -15.497 12.928 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.835 -15.001 14.449 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.232 -14.074 13.016 1.00 0.00 H new ATOM 639 N HIS A 46 0.884 -12.450 14.745 1.00 0.00 N ATOM 640 CA HIS A 46 0.178 -11.180 14.809 1.00 0.00 C ATOM 641 C HIS A 46 0.407 -10.465 13.479 1.00 0.00 C ATOM 642 O HIS A 46 1.472 -10.590 12.874 1.00 0.00 O ATOM 643 CB HIS A 46 0.672 -10.348 16.001 1.00 0.00 C ATOM 644 CG HIS A 46 0.153 -10.860 17.321 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.910 -11.244 18.405 1.00 0.00 N ATOM 646 CD2 HIS A 46 -1.165 -11.032 17.650 1.00 0.00 C ATOM 647 CE1 HIS A 46 0.067 -11.656 19.362 1.00 0.00 C ATOM 648 NE2 HIS A 46 -1.210 -11.533 18.955 1.00 0.00 N ATOM 0 H HIS A 46 1.734 -12.501 15.307 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.890 -11.333 14.963 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.762 -10.354 16.017 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.361 -9.312 15.870 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.014 -10.820 17.018 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.371 -12.035 20.327 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.046 -11.760 19.493 1.00 0.00 H new ATOM 656 N LEU A 47 -0.605 -9.743 13.006 1.00 0.00 N ATOM 657 CA LEU A 47 -0.481 -8.844 11.873 1.00 0.00 C ATOM 658 C LEU A 47 0.214 -7.596 12.397 1.00 0.00 C ATOM 659 O LEU A 47 -0.244 -6.976 13.362 1.00 0.00 O ATOM 660 CB LEU A 47 -1.863 -8.611 11.237 1.00 0.00 C ATOM 661 CG LEU A 47 -2.005 -7.416 10.276 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.263 -7.867 8.836 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.105 -6.458 10.748 1.00 0.00 C ATOM 0 H LEU A 47 -1.543 -9.769 13.406 1.00 0.00 H new ATOM 0 HA LEU A 47 0.121 -9.247 11.059 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.142 -9.515 10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.588 -8.485 12.041 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.055 -6.882 10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.357 -6.993 8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.432 -8.483 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.185 -8.447 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.184 -5.623 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.056 -6.988 10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.858 -6.080 11.740 1.00 0.00 H new ATOM 675 N GLN A 48 1.342 -7.285 11.767 1.00 0.00 N ATOM 676 CA GLN A 48 2.118 -6.073 11.956 1.00 0.00 C ATOM 677 C GLN A 48 1.448 -4.884 11.278 1.00 0.00 C ATOM 678 O GLN A 48 1.688 -3.740 11.660 1.00 0.00 O ATOM 679 CB GLN A 48 3.511 -6.290 11.342 1.00 0.00 C ATOM 680 CG GLN A 48 4.501 -6.993 12.273 1.00 0.00 C ATOM 681 CD GLN A 48 4.737 -6.238 13.580 1.00 0.00 C ATOM 682 OE1 GLN A 48 4.425 -5.061 13.726 1.00 0.00 O ATOM 683 NE2 GLN A 48 5.386 -6.859 14.547 1.00 0.00 N ATOM 0 H GLN A 48 1.758 -7.908 11.075 1.00 0.00 H new ATOM 0 HA GLN A 48 2.193 -5.859 13.022 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.407 -6.877 10.430 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.924 -5.323 11.053 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.130 -7.992 12.500 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.452 -7.116 11.755 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.651 -7.838 14.437 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.623 -6.360 15.405 1.00 0.00 H new ATOM 692 N GLY A 49 0.627 -5.135 10.265 1.00 0.00 N ATOM 693 CA GLY A 49 -0.256 -4.181 9.636 1.00 0.00 C ATOM 694 C GLY A 49 -0.542 -4.624 8.209 1.00 0.00 C ATOM 695 O GLY A 49 -0.081 -5.667 7.740 1.00 0.00 O ATOM 0 H GLY A 49 0.562 -6.062 9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.187 -4.104 10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.200 -3.191 9.637 1.00 0.00 H new ATOM 699 N TYR A 50 -1.308 -3.796 7.516 1.00 0.00 N ATOM 700 CA TYR A 50 -1.551 -3.867 6.091 1.00 0.00 C ATOM 701 C TYR A 50 -0.617 -2.821 5.466 1.00 0.00 C ATOM 702 O TYR A 50 -0.550 -1.678 5.936 1.00 0.00 O ATOM 703 CB TYR A 50 -3.051 -3.604 5.861 1.00 0.00 C ATOM 704 CG TYR A 50 -3.948 -4.801 6.156 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.126 -5.833 5.205 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.642 -4.865 7.378 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.022 -6.894 5.455 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.553 -5.904 7.627 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.773 -6.893 6.649 1.00 0.00 C ATOM 710 OH TYR A 50 -6.753 -7.818 6.836 1.00 0.00 O ATOM 0 H TYR A 50 -1.800 -3.019 7.958 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.339 -4.833 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.362 -2.768 6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.200 -3.299 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.571 -5.809 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.473 -4.109 8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.131 -7.697 4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.084 -5.945 8.567 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.172 -7.678 7.711 1.00 0.00 H new ATOM 720 N ARG A 51 0.158 -3.222 4.454 1.00 0.00 N ATOM 721 CA ARG A 51 1.074 -2.371 3.698 1.00 0.00 C ATOM 722 C ARG A 51 0.541 -2.261 2.273 1.00 0.00 C ATOM 723 O ARG A 51 0.687 -3.211 1.501 1.00 0.00 O ATOM 724 CB ARG A 51 2.492 -2.973 3.752 1.00 0.00 C ATOM 725 CG ARG A 51 3.522 -2.097 3.023 1.00 0.00 C ATOM 726 CD ARG A 51 4.936 -2.693 3.018 1.00 0.00 C ATOM 727 NE ARG A 51 5.567 -2.653 4.343 1.00 0.00 N ATOM 728 CZ ARG A 51 6.564 -3.447 4.755 1.00 0.00 C ATOM 729 NH1 ARG A 51 7.012 -4.449 4.003 1.00 0.00 N ATOM 730 NH2 ARG A 51 7.126 -3.198 5.932 1.00 0.00 N ATOM 0 H ARG A 51 0.163 -4.188 4.128 1.00 0.00 H new ATOM 0 HA ARG A 51 1.137 -1.369 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.793 -3.096 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.480 -3.967 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.196 -1.946 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.552 -1.115 3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.890 -3.726 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.555 -2.145 2.307 1.00 0.00 H new ATOM 0 HE ARG A 51 5.216 -1.962 5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.595 -4.627 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.773 -5.039 4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.797 -2.417 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.887 -3.788 6.269 1.00 0.00 H new ATOM 744 N ILE A 52 -0.092 -1.137 1.935 1.00 0.00 N ATOM 745 CA ILE A 52 -0.501 -0.853 0.569 1.00 0.00 C ATOM 746 C ILE A 52 0.773 -0.399 -0.158 1.00 0.00 C ATOM 747 O ILE A 52 1.392 0.587 0.240 1.00 0.00 O ATOM 748 CB ILE A 52 -1.629 0.214 0.515 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.870 -0.150 1.372 1.00 0.00 C ATOM 750 CG2 ILE A 52 -2.041 0.455 -0.948 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.096 0.776 1.205 1.00 0.00 C ATOM 0 H ILE A 52 -0.333 -0.403 2.602 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.931 -1.731 0.088 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.221 1.127 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.171 -1.169 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.577 -0.148 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.832 1.204 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.180 0.809 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.403 -0.477 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.904 0.430 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.823 1.794 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.427 0.758 0.167 1.00 0.00 H new ATOM 763 N TYR A 53 1.166 -1.085 -1.226 1.00 0.00 N ATOM 764 CA TYR A 53 2.113 -0.571 -2.214 1.00 0.00 C ATOM 765 C TYR A 53 1.286 0.110 -3.303 1.00 0.00 C ATOM 766 O TYR A 53 0.122 -0.242 -3.490 1.00 0.00 O ATOM 767 CB TYR A 53 2.930 -1.736 -2.794 1.00 0.00 C ATOM 768 CG TYR A 53 4.009 -2.288 -1.887 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.661 -3.231 -0.903 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.358 -1.917 -2.060 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.644 -3.780 -0.067 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.338 -2.418 -1.178 1.00 0.00 C ATOM 773 CZ TYR A 53 5.984 -3.349 -0.171 1.00 0.00 C ATOM 774 OH TYR A 53 6.893 -3.836 0.719 1.00 0.00 O ATOM 0 H TYR A 53 0.832 -2.026 -1.434 1.00 0.00 H new ATOM 0 HA TYR A 53 2.814 0.137 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.246 -2.545 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.394 -1.405 -3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.631 -3.534 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.640 -1.253 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.375 -4.534 0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.363 -2.090 -1.271 1.00 0.00 H new ATOM 0 HH TYR A 53 7.775 -3.454 0.528 1.00 0.00 H new ATOM 784 N TYR A 54 1.826 1.122 -3.979 1.00 0.00 N ATOM 785 CA TYR A 54 1.186 1.836 -5.074 1.00 0.00 C ATOM 786 C TYR A 54 2.226 2.520 -5.967 1.00 0.00 C ATOM 787 O TYR A 54 3.396 2.613 -5.575 1.00 0.00 O ATOM 788 CB TYR A 54 0.165 2.816 -4.468 1.00 0.00 C ATOM 789 CG TYR A 54 0.684 3.924 -3.577 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.892 3.675 -2.206 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.806 5.227 -4.085 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.227 4.733 -1.335 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.110 6.291 -3.220 1.00 0.00 C ATOM 794 CZ TYR A 54 1.325 6.052 -1.844 1.00 0.00 C ATOM 795 OH TYR A 54 1.616 7.108 -1.035 1.00 0.00 O ATOM 0 H TYR A 54 2.758 1.479 -3.768 1.00 0.00 H new ATOM 0 HA TYR A 54 0.655 1.146 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.383 3.278 -5.290 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.555 2.234 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.795 2.671 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.666 5.411 -5.140 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.407 4.539 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.180 7.296 -3.608 1.00 0.00 H new ATOM 0 HH TYR A 54 1.641 7.931 -1.567 1.00 0.00 H new ATOM 805 N TRP A 55 1.842 2.951 -7.172 1.00 0.00 N ATOM 806 CA TRP A 55 2.641 3.832 -8.025 1.00 0.00 C ATOM 807 C TRP A 55 1.756 4.731 -8.897 1.00 0.00 C ATOM 808 O TRP A 55 0.598 4.408 -9.196 1.00 0.00 O ATOM 809 CB TRP A 55 3.627 3.024 -8.884 1.00 0.00 C ATOM 810 CG TRP A 55 3.039 1.954 -9.752 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.622 2.106 -11.030 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.834 0.548 -9.433 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.162 0.899 -11.517 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.275 -0.099 -10.575 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.082 -0.251 -8.296 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.992 -1.471 -10.589 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.817 -1.632 -8.301 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.264 -2.240 -9.445 1.00 0.00 C ATOM 0 H TRP A 55 0.948 2.691 -7.589 1.00 0.00 H new ATOM 0 HA TRP A 55 3.220 4.483 -7.370 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.172 3.719 -9.522 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.357 2.561 -8.220 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.645 3.032 -11.585 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.786 0.764 -12.455 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.483 0.208 -7.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.569 -1.932 -11.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.038 -2.227 -7.427 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.049 -3.298 -9.443 1.00 0.00 H new ATOM 829 N LYS A 56 2.330 5.844 -9.366 1.00 0.00 N ATOM 830 CA LYS A 56 1.718 6.756 -10.330 1.00 0.00 C ATOM 831 C LYS A 56 1.645 6.021 -11.659 1.00 0.00 C ATOM 832 O LYS A 56 2.629 5.409 -12.071 1.00 0.00 O ATOM 833 CB LYS A 56 2.578 8.031 -10.447 1.00 0.00 C ATOM 834 CG LYS A 56 1.831 9.336 -10.773 1.00 0.00 C ATOM 835 CD LYS A 56 0.915 9.343 -12.002 1.00 0.00 C ATOM 836 CE LYS A 56 0.243 10.709 -12.202 1.00 0.00 C ATOM 837 NZ LYS A 56 1.179 11.797 -12.545 1.00 0.00 N ATOM 0 H LYS A 56 3.261 6.141 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 56 0.718 7.058 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.112 8.169 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.329 7.866 -11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.229 9.604 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.573 10.124 -10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.495 9.089 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.150 8.574 -11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.502 10.623 -12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.290 10.977 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.642 12.661 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.812 11.977 -11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.743 11.521 -13.374 1.00 0.00 H new ATOM 851 N THR A 57 0.507 6.086 -12.332 1.00 0.00 N ATOM 852 CA THR A 57 0.265 5.405 -13.595 1.00 0.00 C ATOM 853 C THR A 57 -0.074 6.476 -14.642 1.00 0.00 C ATOM 854 O THR A 57 -0.598 7.538 -14.296 1.00 0.00 O ATOM 855 CB THR A 57 -0.842 4.362 -13.358 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.512 3.554 -12.235 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.060 3.435 -14.550 1.00 0.00 C ATOM 0 H THR A 57 -0.294 6.627 -12.007 1.00 0.00 H new ATOM 0 HA THR A 57 1.129 4.860 -13.975 1.00 0.00 H new ATOM 0 HB THR A 57 -1.759 4.927 -13.193 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.448 3.358 -12.244 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.853 2.724 -14.318 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.345 4.024 -15.422 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.138 2.894 -14.763 1.00 0.00 H new ATOM 1096 N LYS A 71 5.878 3.416 -4.399 1.00 0.00 N ATOM 1097 CA LYS A 71 5.541 3.945 -3.098 1.00 0.00 C ATOM 1098 C LYS A 71 4.955 2.871 -2.201 1.00 0.00 C ATOM 1099 O LYS A 71 4.535 1.812 -2.682 1.00 0.00 O ATOM 1100 CB LYS A 71 4.539 5.085 -3.343 1.00 0.00 C ATOM 1101 CG LYS A 71 4.747 6.264 -2.392 1.00 0.00 C ATOM 1102 CD LYS A 71 4.499 7.577 -3.146 1.00 0.00 C ATOM 1103 CE LYS A 71 4.725 8.790 -2.252 1.00 0.00 C ATOM 1104 NZ LYS A 71 4.599 10.043 -3.018 1.00 0.00 N ATOM 0 HA LYS A 71 6.428 4.312 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.633 5.432 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.525 4.704 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.067 6.185 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.761 6.248 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.162 7.632 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.478 7.591 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.002 8.784 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.716 8.734 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.757 10.854 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.305 10.056 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.645 10.105 -3.428 1.00 0.00 H new ATOM 1118 N ILE A 72 4.913 3.163 -0.906 1.00 0.00 N ATOM 1119 CA ILE A 72 4.434 2.289 0.153 1.00 0.00 C ATOM 1120 C ILE A 72 3.596 3.156 1.087 1.00 0.00 C ATOM 1121 O ILE A 72 3.830 4.358 1.194 1.00 0.00 O ATOM 1122 CB ILE A 72 5.637 1.641 0.886 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.527 0.818 -0.073 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.188 0.707 2.015 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.823 1.543 -0.407 1.00 0.00 C ATOM 0 H ILE A 72 5.230 4.065 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 72 3.829 1.470 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 72 6.205 2.476 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.757 -0.145 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.978 0.614 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.064 0.276 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.609 1.272 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.571 -0.092 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.419 0.930 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.594 2.495 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.385 1.724 0.509 1.00 0.00 H new ATOM 1137 N LEU A 73 2.643 2.541 1.776 1.00 0.00 N ATOM 1138 CA LEU A 73 1.757 3.098 2.769 1.00 0.00 C ATOM 1139 C LEU A 73 1.794 2.162 3.987 1.00 0.00 C ATOM 1140 O LEU A 73 2.208 1.006 3.862 1.00 0.00 O ATOM 1141 CB LEU A 73 0.370 3.146 2.134 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.523 4.299 2.504 1.00 0.00 C ATOM 1143 CD1 LEU A 73 0.116 5.652 2.394 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.671 4.298 1.516 1.00 0.00 C ATOM 0 H LEU A 73 2.461 1.547 1.634 1.00 0.00 H new ATOM 0 HA LEU A 73 2.038 4.100 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.496 3.152 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.149 2.222 2.390 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.804 4.154 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.604 6.419 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.981 5.701 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.436 5.821 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.349 5.120 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.281 4.419 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.210 3.353 1.586 1.00 0.00 H new ATOM 1156 N THR A 74 1.338 2.617 5.154 1.00 0.00 N ATOM 1157 CA THR A 74 1.352 1.830 6.383 1.00 0.00 C ATOM 1158 C THR A 74 0.029 2.055 7.111 1.00 0.00 C ATOM 1159 O THR A 74 -0.275 3.196 7.461 1.00 0.00 O ATOM 1160 CB THR A 74 2.557 2.259 7.239 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.777 1.958 6.581 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.584 1.564 8.604 1.00 0.00 C ATOM 0 H THR A 74 0.945 3.551 5.272 1.00 0.00 H new ATOM 0 HA THR A 74 1.455 0.765 6.172 1.00 0.00 H new ATOM 0 HB THR A 74 2.449 3.334 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.529 2.240 7.142 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.454 1.902 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.676 1.810 9.155 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.641 0.485 8.462 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.740 0.984 7.346 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.949 0.985 8.165 1.00 0.00 C ATOM 1172 C PHE A 75 -1.859 -0.192 9.117 1.00 0.00 C ATOM 1173 O PHE A 75 -1.977 -1.346 8.708 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.224 0.933 7.308 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.360 2.134 6.399 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.250 3.432 6.938 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -3.469 1.957 5.008 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.182 4.544 6.089 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -3.392 3.072 4.162 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.231 4.356 4.703 1.00 0.00 C ATOM 0 H PHE A 75 -0.527 0.066 6.957 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.015 1.916 8.728 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.216 0.025 6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.095 0.875 7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.218 3.569 8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.611 0.969 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.092 5.538 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.457 2.942 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.144 5.207 4.044 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.525 0.099 10.366 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.346 -0.882 11.417 1.00 0.00 C ATOM 1192 C GLN A 76 -2.707 -1.201 12.035 1.00 0.00 C ATOM 1193 O GLN A 76 -3.669 -0.442 11.872 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.358 -0.283 12.423 1.00 0.00 C ATOM 1195 CG GLN A 76 1.028 -0.118 11.765 1.00 0.00 C ATOM 1196 CD GLN A 76 1.927 0.916 12.435 1.00 0.00 C ATOM 1197 OE1 GLN A 76 1.488 1.803 13.169 1.00 0.00 O ATOM 1198 NE2 GLN A 76 3.206 0.913 12.110 1.00 0.00 N ATOM 0 H GLN A 76 -1.367 1.056 10.682 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.941 -1.825 11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.722 0.684 12.772 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.280 -0.929 13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.537 -1.082 11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.889 0.162 10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.576 0.182 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.824 1.642 12.466 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.778 -2.305 12.770 1.00 0.00 N ATOM 1208 CA GLY A 77 -4.021 -2.856 13.292 1.00 0.00 C ATOM 1209 C GLY A 77 -4.832 -3.524 12.182 1.00 0.00 C ATOM 1210 O GLY A 77 -4.515 -3.409 10.998 1.00 0.00 O ATOM 0 H GLY A 77 -1.956 -2.852 13.024 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.801 -3.583 14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.611 -2.062 13.751 1.00 0.00 H new ATOM 1214 N SER A 78 -5.904 -4.222 12.552 1.00 0.00 N ATOM 1215 CA SER A 78 -6.692 -5.075 11.665 1.00 0.00 C ATOM 1216 C SER A 78 -7.664 -4.303 10.763 1.00 0.00 C ATOM 1217 O SER A 78 -8.731 -4.807 10.401 1.00 0.00 O ATOM 1218 CB SER A 78 -7.405 -6.094 12.547 1.00 0.00 C ATOM 1219 OG SER A 78 -8.203 -5.464 13.535 1.00 0.00 O ATOM 0 H SER A 78 -6.259 -4.209 13.508 1.00 0.00 H new ATOM 0 HA SER A 78 -6.027 -5.570 10.958 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.032 -6.736 11.928 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.668 -6.737 13.029 1.00 0.00 H new ATOM 0 HG SER A 78 -8.647 -6.146 14.081 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.345 -3.049 10.442 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.121 -2.203 9.556 1.00 0.00 C ATOM 1227 C LYS A 79 -8.393 -2.912 8.234 1.00 0.00 C ATOM 1228 O LYS A 79 -7.527 -3.600 7.698 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.344 -0.906 9.308 1.00 0.00 C ATOM 1230 CG LYS A 79 -7.665 0.176 10.335 1.00 0.00 C ATOM 1231 CD LYS A 79 -7.281 -0.097 11.792 1.00 0.00 C ATOM 1232 CE LYS A 79 -7.664 1.156 12.588 1.00 0.00 C ATOM 1233 NZ LYS A 79 -7.167 1.132 13.973 1.00 0.00 N ATOM 0 H LYS A 79 -6.512 -2.586 10.806 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.081 -1.979 10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.275 -1.117 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.574 -0.534 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.168 1.095 10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.738 0.366 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.805 -0.973 12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.214 -0.301 11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.269 2.036 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.749 1.255 12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.456 2.004 14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.564 0.309 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.129 1.066 13.968 1.00 0.00 H new ATOM 1247 N THR A 80 -9.563 -2.654 7.671 1.00 0.00 N ATOM 1248 CA THR A 80 -9.981 -3.119 6.355 1.00 0.00 C ATOM 1249 C THR A 80 -10.128 -1.969 5.364 1.00 0.00 C ATOM 1250 O THR A 80 -10.689 -2.139 4.279 1.00 0.00 O ATOM 1251 CB THR A 80 -11.246 -3.964 6.494 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.143 -3.451 7.466 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.854 -5.368 6.928 1.00 0.00 C ATOM 0 H THR A 80 -10.277 -2.093 8.136 1.00 0.00 H new ATOM 0 HA THR A 80 -9.202 -3.754 5.934 1.00 0.00 H new ATOM 0 HB THR A 80 -11.746 -3.955 5.525 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.935 -4.025 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.750 -5.981 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.196 -5.810 6.180 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.335 -5.321 7.885 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.656 -0.786 5.746 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.709 0.411 4.939 1.00 0.00 C ATOM 1263 C HIS A 81 -8.503 1.299 5.250 1.00 0.00 C ATOM 1264 O HIS A 81 -7.925 1.178 6.333 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.062 1.113 5.142 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.337 1.665 6.527 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.808 2.928 6.803 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.239 1.009 7.727 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.958 3.047 8.130 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -11.629 1.894 8.741 1.00 0.00 N ATOM 0 H HIS A 81 -9.215 -0.638 6.654 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.644 0.164 3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.131 1.934 4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.854 0.406 4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.917 -0.012 7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -12.295 3.940 8.636 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.658 1.702 9.742 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.106 2.176 4.324 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.899 2.987 4.445 1.00 0.00 C ATOM 1280 C GLY A 82 -6.734 3.948 3.269 1.00 0.00 C ATOM 1281 O GLY A 82 -6.605 3.507 2.128 1.00 0.00 O ATOM 0 H GLY A 82 -8.622 2.342 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.936 3.555 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.028 2.334 4.504 1.00 0.00 H new ATOM 1285 N MET A 83 -6.741 5.253 3.549 1.00 0.00 N ATOM 1286 CA MET A 83 -6.771 6.305 2.533 1.00 0.00 C ATOM 1287 C MET A 83 -5.414 6.509 1.847 1.00 0.00 C ATOM 1288 O MET A 83 -4.377 6.380 2.496 1.00 0.00 O ATOM 1289 CB MET A 83 -7.205 7.647 3.152 1.00 0.00 C ATOM 1290 CG MET A 83 -8.236 7.556 4.283 1.00 0.00 C ATOM 1291 SD MET A 83 -8.964 9.154 4.705 1.00 0.00 S ATOM 1292 CE MET A 83 -10.236 9.204 3.420 1.00 0.00 C ATOM 0 H MET A 83 -6.726 5.613 4.503 1.00 0.00 H new ATOM 0 HA MET A 83 -7.491 5.976 1.783 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.318 8.153 3.534 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.615 8.275 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.029 6.868 3.990 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.760 7.135 5.168 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.448 10.241 3.158 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.883 8.671 2.537 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.145 8.730 3.790 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.419 6.992 0.601 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.292 7.534 -0.164 1.00 0.00 C ATOM 1304 C LEU A 84 -4.416 9.070 -0.179 1.00 0.00 C ATOM 1305 O LEU A 84 -5.059 9.606 -1.083 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.322 6.989 -1.618 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.570 5.682 -1.915 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.055 5.854 -1.859 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.986 4.552 -0.992 1.00 0.00 C ATOM 0 H LEU A 84 -6.282 7.016 0.057 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.350 7.235 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.365 6.845 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.919 7.762 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.849 5.416 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.572 4.901 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.745 6.594 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.763 6.190 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.426 3.652 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.779 4.831 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.053 4.360 -1.110 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.871 9.808 0.805 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.863 11.266 0.796 1.00 0.00 C ATOM 1323 C PRO A 85 -2.576 11.834 0.168 1.00 0.00 C ATOM 1324 O PRO A 85 -1.522 11.191 0.183 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.956 11.639 2.278 1.00 0.00 C ATOM 1326 CG PRO A 85 -3.116 10.551 2.946 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.398 9.316 2.087 1.00 0.00 C ATOM 0 HA PRO A 85 -4.676 11.676 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.558 12.635 2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.986 11.633 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.056 10.806 2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.410 10.395 3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.497 8.715 1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.146 8.678 2.558 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.622 13.092 -0.289 1.00 0.00 N ATOM 1336 CA GLY A 86 -1.459 13.809 -0.819 1.00 0.00 C ATOM 1337 C GLY A 86 -1.070 13.373 -2.231 1.00 0.00 C ATOM 1338 O GLY A 86 0.069 13.596 -2.652 1.00 0.00 O ATOM 0 H GLY A 86 -3.479 13.645 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.671 14.878 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.611 13.654 -0.152 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.991 12.718 -2.940 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.843 12.223 -4.305 1.00 0.00 C ATOM 1344 C LEU A 87 -1.986 13.378 -5.307 1.00 0.00 C ATOM 1345 O LEU A 87 -2.158 14.528 -4.893 1.00 0.00 O ATOM 1346 CB LEU A 87 -2.890 11.113 -4.523 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.470 9.698 -4.074 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.509 9.064 -5.071 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.836 9.660 -2.681 1.00 0.00 C ATOM 0 H LEU A 87 -2.911 12.508 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.851 11.802 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.800 11.388 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.140 11.078 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.397 9.127 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.232 8.068 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.992 8.989 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.614 9.680 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.566 8.634 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.942 10.283 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.548 10.036 -1.947 1.00 0.00 H new ATOM 1361 N GLU A 88 -1.943 13.103 -6.618 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.307 14.103 -7.630 1.00 0.00 C ATOM 1363 C GLU A 88 -3.711 13.841 -8.190 1.00 0.00 C ATOM 1364 O GLU A 88 -4.130 12.677 -8.301 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.298 14.221 -8.784 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.013 14.915 -8.325 1.00 0.00 C ATOM 1367 CD GLU A 88 0.718 15.655 -9.450 1.00 0.00 C ATOM 1368 OE1 GLU A 88 1.523 15.060 -10.207 1.00 0.00 O ATOM 1369 OE2 GLU A 88 0.475 16.859 -9.658 1.00 0.00 O ATOM 0 H GLU A 88 -1.661 12.201 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.293 15.058 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.062 13.228 -9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.744 14.782 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.255 15.623 -7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.658 14.172 -7.894 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.429 14.915 -8.557 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.702 14.837 -9.259 1.00 0.00 C ATOM 1378 C PRO A 89 -5.553 14.432 -10.746 1.00 0.00 C ATOM 1379 O PRO A 89 -4.435 14.267 -11.243 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.340 16.214 -9.082 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.284 17.133 -8.499 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.006 16.306 -8.416 1.00 0.00 C ATOM 0 HA PRO A 89 -6.331 14.048 -8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.697 16.597 -10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.204 16.154 -8.420 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.140 18.011 -9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.581 17.493 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.307 16.585 -9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.496 16.466 -7.466 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.691 14.274 -11.444 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.844 14.077 -12.896 1.00 0.00 C ATOM 1392 C PHE A 90 -5.932 12.994 -13.513 1.00 0.00 C ATOM 1393 O PHE A 90 -5.561 13.085 -14.685 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.724 15.457 -13.576 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.161 15.551 -15.027 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.506 15.342 -15.389 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.216 15.864 -16.024 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.910 15.482 -16.728 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.616 15.986 -17.365 1.00 0.00 C ATOM 1400 CZ PHE A 90 -7.967 15.815 -17.716 1.00 0.00 C ATOM 0 H PHE A 90 -7.595 14.281 -10.973 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.833 13.658 -13.082 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.311 16.171 -12.999 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.683 15.776 -13.514 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.230 15.073 -14.634 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.180 16.011 -15.756 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.945 15.334 -16.998 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.885 16.211 -18.127 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.279 15.939 -18.742 1.00 0.00 H new ATOM 1410 N SER A 91 -5.559 11.966 -12.751 1.00 0.00 N ATOM 1411 CA SER A 91 -4.508 11.007 -13.087 1.00 0.00 C ATOM 1412 C SER A 91 -5.008 9.569 -12.950 1.00 0.00 C ATOM 1413 O SER A 91 -6.190 9.352 -12.676 1.00 0.00 O ATOM 1414 CB SER A 91 -3.317 11.291 -12.170 1.00 0.00 C ATOM 1415 OG SER A 91 -2.745 12.530 -12.524 1.00 0.00 O ATOM 0 H SER A 91 -5.997 11.772 -11.850 1.00 0.00 H new ATOM 0 HA SER A 91 -4.205 11.119 -14.128 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.640 11.310 -11.129 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.576 10.496 -12.259 1.00 0.00 H new ATOM 0 HG SER A 91 -3.185 13.248 -12.023 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.113 8.593 -13.139 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.351 7.184 -12.880 1.00 0.00 C ATOM 1423 C HIS A 92 -3.302 6.711 -11.879 1.00 0.00 C ATOM 1424 O HIS A 92 -2.186 7.239 -11.835 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.254 6.405 -14.197 1.00 0.00 C ATOM 1426 CG HIS A 92 -4.911 5.045 -14.198 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.423 3.907 -14.809 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.197 4.781 -13.808 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -5.392 2.978 -14.778 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.498 3.474 -14.198 1.00 0.00 N ATOM 0 H HIS A 92 -3.173 8.778 -13.489 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.346 7.019 -12.466 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.702 7.006 -14.988 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.201 6.281 -14.449 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.859 5.461 -13.292 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.296 1.974 -15.165 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.386 2.989 -14.068 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.638 5.693 -11.096 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.755 5.079 -10.119 1.00 0.00 C ATOM 1440 C TYR A 93 -3.035 3.584 -10.070 1.00 0.00 C ATOM 1441 O TYR A 93 -4.135 3.153 -10.416 1.00 0.00 O ATOM 1442 CB TYR A 93 -2.988 5.718 -8.744 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.331 7.078 -8.597 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.013 8.251 -8.971 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.017 7.164 -8.107 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.382 9.505 -8.874 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.375 8.408 -8.014 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.054 9.588 -8.398 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.434 10.796 -8.276 1.00 0.00 O ATOM 0 H TYR A 93 -4.561 5.261 -11.126 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.714 5.237 -10.402 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.060 5.820 -8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.605 5.051 -7.971 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.028 8.188 -9.335 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.498 6.268 -7.800 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.911 10.401 -9.162 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.640 8.465 -7.648 1.00 0.00 H new ATOM 0 HH TYR A 93 0.475 10.664 -7.933 1.00 0.00 H new ATOM 1459 N THR A 94 -2.055 2.822 -9.591 1.00 0.00 N ATOM 1460 CA THR A 94 -2.163 1.404 -9.275 1.00 0.00 C ATOM 1461 C THR A 94 -1.774 1.270 -7.794 1.00 0.00 C ATOM 1462 O THR A 94 -0.909 2.025 -7.343 1.00 0.00 O ATOM 1463 CB THR A 94 -1.250 0.594 -10.224 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.419 0.980 -11.586 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.527 -0.911 -10.166 1.00 0.00 C ATOM 0 H THR A 94 -1.124 3.194 -9.405 1.00 0.00 H new ATOM 0 HA THR A 94 -3.168 1.007 -9.420 1.00 0.00 H new ATOM 0 HB THR A 94 -0.238 0.808 -9.879 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.061 1.883 -11.717 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.858 -1.431 -10.852 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.360 -1.273 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.561 -1.102 -10.453 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.440 0.405 -7.021 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.132 0.053 -5.634 1.00 0.00 C ATOM 1475 C LEU A 95 -2.470 -1.415 -5.375 1.00 0.00 C ATOM 1476 O LEU A 95 -3.424 -1.945 -5.935 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.821 0.982 -4.621 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.369 1.124 -4.581 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.070 1.082 -5.934 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -5.009 0.079 -3.660 1.00 0.00 C ATOM 0 H LEU A 95 -3.257 -0.097 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.061 0.194 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.505 0.661 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.414 1.981 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.517 2.130 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.145 1.190 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.704 1.897 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.863 0.130 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.091 0.210 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.765 -0.921 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.626 0.204 -2.647 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.739 -2.066 -4.476 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.938 -3.453 -4.043 1.00 0.00 C ATOM 1494 C ASN A 96 -1.781 -3.526 -2.533 1.00 0.00 C ATOM 1495 O ASN A 96 -0.797 -3.048 -1.972 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.031 -4.495 -4.740 1.00 0.00 C ATOM 1497 CG ASN A 96 0.472 -4.241 -4.709 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.939 -3.122 -4.881 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.282 -5.276 -4.575 1.00 0.00 N ATOM 0 H ASN A 96 -0.951 -1.622 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.948 -3.728 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.219 -5.466 -4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.340 -4.568 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.292 -5.141 -4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.897 -6.210 -4.432 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.778 -4.118 -1.884 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.860 -4.312 -0.445 1.00 0.00 C ATOM 1508 C VAL A 97 -2.186 -5.661 -0.156 1.00 0.00 C ATOM 1509 O VAL A 97 -2.314 -6.606 -0.935 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.361 -4.312 -0.056 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.625 -4.434 1.450 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -5.104 -3.055 -0.536 1.00 0.00 C ATOM 0 H VAL A 97 -3.590 -4.493 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.365 -3.531 0.132 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.738 -5.202 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.700 -4.426 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.201 -5.368 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.162 -3.595 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.150 -3.113 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.647 -2.170 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.043 -2.989 -1.622 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.481 -5.812 0.956 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.838 -7.064 1.367 1.00 0.00 C ATOM 1524 C ARG A 98 -0.748 -7.091 2.896 1.00 0.00 C ATOM 1525 O ARG A 98 -0.802 -6.024 3.525 1.00 0.00 O ATOM 1526 CB ARG A 98 0.506 -7.097 0.616 1.00 0.00 C ATOM 1527 CG ARG A 98 1.555 -8.132 1.040 1.00 0.00 C ATOM 1528 CD ARG A 98 2.888 -7.777 0.368 1.00 0.00 C ATOM 1529 NE ARG A 98 3.720 -8.962 0.152 1.00 0.00 N ATOM 1530 CZ ARG A 98 5.020 -8.975 -0.136 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.757 -7.881 -0.007 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.568 -10.113 -0.538 1.00 0.00 N ATOM 0 H ARG A 98 -1.333 -5.051 1.619 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.386 -7.971 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.292 -7.256 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.960 -6.110 0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.667 -8.136 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.239 -9.133 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.695 -7.289 -0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.428 -7.061 0.988 1.00 0.00 H new ATOM 0 HE ARG A 98 3.258 -9.868 0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.330 -7.013 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.752 -7.907 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.996 -10.953 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.562 -10.148 -0.765 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.703 -8.282 3.495 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.570 -8.475 4.933 1.00 0.00 C ATOM 1548 C VAL A 99 0.921 -8.541 5.267 1.00 0.00 C ATOM 1549 O VAL A 99 1.731 -9.071 4.498 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.371 -9.725 5.412 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.772 -9.869 4.759 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.604 -11.053 5.318 1.00 0.00 C ATOM 0 H VAL A 99 -0.760 -9.159 2.977 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.006 -7.637 5.476 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.519 -9.516 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.263 -10.762 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.375 -8.992 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.663 -9.954 3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.239 -11.866 5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.322 -11.238 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.294 -10.999 5.934 1.00 0.00 H new ATOM 1562 N VAL A 100 1.270 -8.042 6.446 1.00 0.00 N ATOM 1563 CA VAL A 100 2.615 -8.046 6.992 1.00 0.00 C ATOM 1564 C VAL A 100 2.471 -8.607 8.404 1.00 0.00 C ATOM 1565 O VAL A 100 1.502 -8.289 9.103 1.00 0.00 O ATOM 1566 CB VAL A 100 3.176 -6.608 6.955 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.599 -6.526 7.533 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.193 -6.035 5.526 1.00 0.00 C ATOM 0 H VAL A 100 0.593 -7.606 7.072 1.00 0.00 H new ATOM 0 HA VAL A 100 3.322 -8.655 6.428 1.00 0.00 H new ATOM 0 HB VAL A 100 2.504 -6.015 7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.952 -5.496 7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.590 -6.860 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.265 -7.164 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.595 -5.022 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.818 -6.662 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.178 -6.015 5.130 1.00 0.00 H new ATOM 1578 N ASN A 101 3.414 -9.444 8.831 1.00 0.00 N ATOM 1579 CA ASN A 101 3.419 -10.072 10.146 1.00 0.00 C ATOM 1580 C ASN A 101 4.823 -9.991 10.743 1.00 0.00 C ATOM 1581 O ASN A 101 5.714 -9.364 10.162 1.00 0.00 O ATOM 1582 CB ASN A 101 2.841 -11.508 10.052 1.00 0.00 C ATOM 1583 CG ASN A 101 3.833 -12.628 9.744 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.946 -12.411 9.283 1.00 0.00 O ATOM 1585 ND2 ASN A 101 3.452 -13.870 9.975 1.00 0.00 N ATOM 0 H ASN A 101 4.214 -9.709 8.257 1.00 0.00 H new ATOM 0 HA ASN A 101 2.765 -9.539 10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.349 -11.739 10.997 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.070 -11.515 9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.084 -14.644 9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.526 -14.056 10.359 1.00 0.00 H new ATOM 1592 N GLY A 102 5.019 -10.551 11.937 1.00 0.00 N ATOM 1593 CA GLY A 102 6.296 -10.478 12.632 1.00 0.00 C ATOM 1594 C GLY A 102 7.441 -11.107 11.841 1.00 0.00 C ATOM 1595 O GLY A 102 8.564 -10.599 11.881 1.00 0.00 O ATOM 0 H GLY A 102 4.298 -11.065 12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.533 -9.434 12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.208 -10.980 13.596 1.00 0.00 H new ATOM 1599 N LYS A 103 7.172 -12.198 11.119 1.00 0.00 N ATOM 1600 CA LYS A 103 8.178 -12.905 10.347 1.00 0.00 C ATOM 1601 C LYS A 103 8.518 -12.128 9.075 1.00 0.00 C ATOM 1602 O LYS A 103 9.701 -11.985 8.769 1.00 0.00 O ATOM 1603 CB LYS A 103 7.751 -14.373 10.080 1.00 0.00 C ATOM 1604 CG LYS A 103 8.803 -15.148 9.269 1.00 0.00 C ATOM 1605 CD LYS A 103 10.232 -15.126 9.825 1.00 0.00 C ATOM 1606 CE LYS A 103 11.170 -15.707 8.762 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.592 -15.463 9.066 1.00 0.00 N ATOM 0 H LYS A 103 6.242 -12.612 11.058 1.00 0.00 H new ATOM 0 HA LYS A 103 9.097 -12.966 10.929 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.583 -14.879 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.803 -14.381 9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.481 -16.186 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.822 -14.744 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.527 -14.107 10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.291 -15.710 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.999 -16.780 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.929 -15.270 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.183 -15.876 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.765 -14.439 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.832 -15.902 9.978 1.00 0.00 H new ATOM 1621 N GLY A 104 7.522 -11.646 8.336 1.00 0.00 N ATOM 1622 CA GLY A 104 7.738 -11.049 7.026 1.00 0.00 C ATOM 1623 C GLY A 104 6.426 -10.645 6.363 1.00 0.00 C ATOM 1624 O GLY A 104 5.574 -10.001 6.977 1.00 0.00 O ATOM 0 H GLY A 104 6.545 -11.659 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.379 -10.173 7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.265 -11.757 6.387 1.00 0.00 H new ATOM 1628 N GLU A 105 6.287 -10.979 5.083 1.00 0.00 N ATOM 1629 CA GLU A 105 5.172 -10.658 4.202 1.00 0.00 C ATOM 1630 C GLU A 105 4.805 -11.909 3.389 1.00 0.00 C ATOM 1631 O GLU A 105 5.580 -12.869 3.332 1.00 0.00 O ATOM 1632 CB GLU A 105 5.571 -9.530 3.236 1.00 0.00 C ATOM 1633 CG GLU A 105 6.234 -8.312 3.888 1.00 0.00 C ATOM 1634 CD GLU A 105 6.534 -7.243 2.838 1.00 0.00 C ATOM 1635 OE1 GLU A 105 5.617 -6.481 2.449 1.00 0.00 O ATOM 1636 OE2 GLU A 105 7.688 -7.210 2.348 1.00 0.00 O ATOM 0 H GLU A 105 7.004 -11.521 4.601 1.00 0.00 H new ATOM 0 HA GLU A 105 4.321 -10.332 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.253 -9.938 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.679 -9.197 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.579 -7.902 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.157 -8.614 4.383 1.00 0.00 H new ATOM 1643 N GLY A 106 3.630 -11.903 2.751 1.00 0.00 N ATOM 1644 CA GLY A 106 3.095 -13.037 1.991 1.00 0.00 C ATOM 1645 C GLY A 106 2.683 -12.634 0.574 1.00 0.00 C ATOM 1646 O GLY A 106 3.236 -11.666 0.044 1.00 0.00 O ATOM 0 H GLY A 106 3.011 -11.092 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.846 -13.826 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.233 -13.451 2.515 1.00 0.00 H new ATOM 1650 N PRO A 107 1.733 -13.339 -0.065 1.00 0.00 N ATOM 1651 CA PRO A 107 1.217 -12.932 -1.366 1.00 0.00 C ATOM 1652 C PRO A 107 0.487 -11.613 -1.225 1.00 0.00 C ATOM 1653 O PRO A 107 -0.247 -11.397 -0.265 1.00 0.00 O ATOM 1654 CB PRO A 107 0.259 -14.034 -1.805 1.00 0.00 C ATOM 1655 CG PRO A 107 -0.213 -14.650 -0.494 1.00 0.00 C ATOM 1656 CD PRO A 107 0.940 -14.431 0.486 1.00 0.00 C ATOM 0 HA PRO A 107 2.012 -12.795 -2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.575 -13.633 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.758 -14.770 -2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.127 -14.173 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -0.433 -15.711 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.566 -14.180 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.540 -15.335 0.591 1.00 0.00 H new ATOM 1664 N ALA A 108 0.712 -10.718 -2.167 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.029 -9.481 -2.266 1.00 0.00 C ATOM 1666 C ALA A 108 -1.440 -9.773 -2.801 1.00 0.00 C ATOM 1667 O ALA A 108 -1.715 -10.837 -3.362 1.00 0.00 O ATOM 1668 CB ALA A 108 0.765 -8.558 -3.183 1.00 0.00 C ATOM 0 H ALA A 108 1.422 -10.832 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.156 -8.997 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.240 -7.608 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.752 -8.382 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.871 -9.023 -4.163 1.00 0.00 H new ATOM 1674 N SER A 109 -2.360 -8.826 -2.626 1.00 0.00 N ATOM 1675 CA SER A 109 -3.668 -8.857 -3.299 1.00 0.00 C ATOM 1676 C SER A 109 -3.499 -8.561 -4.807 1.00 0.00 C ATOM 1677 O SER A 109 -2.389 -8.211 -5.237 1.00 0.00 O ATOM 1678 CB SER A 109 -4.627 -7.886 -2.595 1.00 0.00 C ATOM 1679 OG SER A 109 -4.180 -6.558 -2.718 1.00 0.00 O ATOM 0 H SER A 109 -2.226 -8.018 -2.018 1.00 0.00 H new ATOM 0 HA SER A 109 -4.108 -9.852 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.624 -7.979 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.708 -8.150 -1.541 1.00 0.00 H new ATOM 0 HG SER A 109 -3.253 -6.495 -2.406 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.541 -8.698 -5.652 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.489 -8.196 -7.024 1.00 0.00 C ATOM 1687 C PRO A 110 -4.360 -6.669 -7.029 1.00 0.00 C ATOM 1688 O PRO A 110 -5.045 -5.981 -6.272 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.780 -8.667 -7.702 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.737 -8.879 -6.531 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.816 -9.360 -5.414 1.00 0.00 C ATOM 0 HA PRO A 110 -3.620 -8.574 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.160 -7.924 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.625 -9.587 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.252 -7.958 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.505 -9.616 -6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.217 -9.099 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.706 -10.444 -5.435 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.490 -6.161 -7.900 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.187 -4.746 -8.091 1.00 0.00 C ATOM 1701 C ASP A 111 -4.436 -4.016 -8.584 1.00 0.00 C ATOM 1702 O ASP A 111 -4.869 -4.188 -9.724 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.010 -4.602 -9.069 1.00 0.00 C ATOM 1704 CG ASP A 111 -0.665 -4.893 -8.406 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -0.282 -6.080 -8.266 1.00 0.00 O ATOM 1706 OD2 ASP A 111 0.010 -3.945 -7.953 1.00 0.00 O ATOM 0 H ASP A 111 -2.949 -6.759 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.891 -4.291 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.153 -5.282 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.001 -3.591 -9.476 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.064 -3.235 -7.709 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.164 -2.336 -8.031 1.00 0.00 C ATOM 1713 C ARG A 112 -5.649 -1.111 -8.769 1.00 0.00 C ATOM 1714 O ARG A 112 -4.460 -0.810 -8.743 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.862 -1.894 -6.733 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.063 -2.782 -6.433 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.193 -2.490 -7.414 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.942 -3.705 -7.741 1.00 0.00 N ATOM 1719 CZ ARG A 112 -10.350 -4.078 -8.957 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -10.311 -3.218 -9.971 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.808 -5.308 -9.125 1.00 0.00 N ATOM 0 H ARG A 112 -4.810 -3.211 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.872 -2.862 -8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.157 -1.937 -5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.185 -0.857 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.775 -3.831 -6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.405 -2.611 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.867 -1.749 -6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.783 -2.057 -8.326 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.174 -4.326 -6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -9.968 -2.269 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -10.624 -3.508 -10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.845 -5.951 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.125 -5.613 -10.045 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.577 -0.352 -9.344 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.332 0.933 -9.975 1.00 0.00 C ATOM 1737 C VAL A 113 -7.377 1.930 -9.487 1.00 0.00 C ATOM 1738 O VAL A 113 -8.397 1.518 -8.922 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.320 0.789 -11.505 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.222 -0.178 -11.949 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.664 0.272 -12.019 1.00 0.00 C ATOM 0 H VAL A 113 -7.558 -0.630 -9.383 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.348 1.310 -9.695 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.130 1.778 -11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.231 -0.265 -13.035 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.252 0.198 -11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.399 -1.158 -11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.627 0.180 -13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.871 -0.703 -11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.453 0.971 -11.741 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.150 3.219 -9.736 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.173 4.253 -9.651 1.00 0.00 C ATOM 1753 C PHE A 114 -7.776 5.441 -10.525 1.00 0.00 C ATOM 1754 O PHE A 114 -6.594 5.634 -10.820 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.407 4.683 -8.194 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.207 5.186 -7.405 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.346 4.253 -6.803 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.016 6.560 -7.157 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.355 4.673 -5.902 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.019 6.982 -6.255 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.212 6.034 -5.601 1.00 0.00 C ATOM 0 H PHE A 114 -6.234 3.577 -10.007 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.115 3.848 -10.020 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.163 5.469 -8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.830 3.834 -7.657 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.448 3.203 -7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.634 7.290 -7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.702 3.947 -5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.874 8.035 -6.066 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.485 6.354 -4.869 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.765 6.254 -10.903 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.610 7.529 -11.591 1.00 0.00 C ATOM 1773 C ASN A 115 -9.044 8.638 -10.641 1.00 0.00 C ATOM 1774 O ASN A 115 -9.927 8.381 -9.823 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.501 7.568 -12.842 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.976 7.829 -12.519 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.410 8.973 -12.450 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.774 6.806 -12.257 1.00 0.00 N ATOM 0 H ASN A 115 -9.743 6.025 -10.727 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.571 7.659 -11.892 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.139 8.345 -13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.413 6.620 -13.373 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.747 6.971 -11.999 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.416 5.853 -12.313 1.00 0.00 H new ATOM 1785 N THR A 116 -8.523 9.854 -10.780 1.00 0.00 N ATOM 1786 CA THR A 116 -8.983 11.007 -10.005 1.00 0.00 C ATOM 1787 C THR A 116 -9.848 11.947 -10.876 1.00 0.00 C ATOM 1788 O THR A 116 -9.694 11.936 -12.101 1.00 0.00 O ATOM 1789 CB THR A 116 -7.787 11.673 -9.287 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.553 11.550 -9.988 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.562 11.064 -7.906 1.00 0.00 C ATOM 0 H THR A 116 -7.770 10.070 -11.433 1.00 0.00 H new ATOM 0 HA THR A 116 -9.654 10.688 -9.207 1.00 0.00 H new ATOM 0 HB THR A 116 -8.063 12.726 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.827 11.910 -9.437 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.714 11.553 -7.426 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.455 11.205 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.356 9.998 -8.007 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.778 12.732 -10.285 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.807 13.467 -11.025 1.00 0.00 C ATOM 1801 C PRO A 117 -11.227 14.535 -11.966 1.00 0.00 C ATOM 1802 O PRO A 117 -11.237 14.323 -13.179 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.777 14.026 -9.973 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.968 14.040 -8.676 1.00 0.00 C ATOM 1805 CD PRO A 117 -11.020 12.862 -8.849 1.00 0.00 C ATOM 0 HA PRO A 117 -12.339 12.806 -11.710 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -13.118 15.027 -10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.665 13.401 -9.880 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.427 14.978 -8.548 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.607 13.919 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.087 13.033 -8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.458 11.949 -8.445 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.758 15.673 -11.433 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.003 16.696 -12.158 1.00 0.00 C ATOM 1815 C GLU A 118 -9.165 17.583 -11.233 1.00 0.00 C ATOM 1816 O GLU A 118 -8.037 17.946 -11.558 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.959 17.552 -13.001 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.199 18.518 -13.920 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.126 19.374 -14.791 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.325 19.526 -14.464 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.599 19.982 -15.753 1.00 0.00 O ATOM 0 H GLU A 118 -10.901 15.911 -10.451 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.302 16.177 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.594 16.902 -13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.616 18.119 -12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.574 19.173 -13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.530 17.947 -14.564 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.664 17.877 -10.036 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.990 18.758 -9.099 1.00 0.00 C ATOM 1830 C GLY A 119 -9.078 20.197 -9.553 1.00 0.00 C ATOM 1831 O GLY A 119 -8.071 20.781 -9.958 1.00 0.00 O ATOM 0 H GLY A 119 -10.550 17.508 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.439 18.656 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.944 18.465 -9.006 1.00 0.00 H new