USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.93) USER MOD Single : A 9 GLN : amide:sc= -0.979 X(o=-0.98,f=-1.2) USER MOD Single : A 11 CYS SG : rot 24:sc= 0.212 USER MOD Single : A 15 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.52) USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= -0.0951 (180deg=-1.82!) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00646 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 16:sc= 0.625 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= -0.011 (180deg=-0.802) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -10.9! C(o=-11!,f=-15!) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-3.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -147:sc= -1.12 (180deg=-2.81!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.378 1.541 -6.912 1.00 0.00 N ATOM 67 CA VAL A 8 -13.650 2.635 -7.544 1.00 0.00 C ATOM 68 C VAL A 8 -12.197 2.666 -7.085 1.00 0.00 C ATOM 69 O VAL A 8 -11.914 2.636 -5.887 1.00 0.00 O ATOM 70 CB VAL A 8 -14.304 3.996 -7.237 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.284 4.271 -5.741 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.602 5.108 -8.001 1.00 0.00 C ATOM 0 HA VAL A 8 -13.684 2.458 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.344 3.963 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.750 5.236 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.835 3.488 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.253 4.286 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.077 6.062 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.553 5.145 -7.707 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.673 4.915 -9.071 1.00 0.00 H new ATOM 82 N GLN A 9 -11.280 2.727 -8.045 1.00 0.00 N ATOM 83 CA GLN A 9 -9.855 2.762 -7.738 1.00 0.00 C ATOM 84 C GLN A 9 -9.175 3.932 -8.442 1.00 0.00 C ATOM 85 O GLN A 9 -9.589 4.342 -9.526 1.00 0.00 O ATOM 86 CB GLN A 9 -9.190 1.447 -8.150 1.00 0.00 C ATOM 87 CG GLN A 9 -9.113 1.250 -9.655 1.00 0.00 C ATOM 88 CD GLN A 9 -10.453 0.893 -10.267 1.00 0.00 C ATOM 89 OE1 GLN A 9 -11.002 1.647 -11.072 1.00 0.00 O ATOM 90 NE2 GLN A 9 -10.989 -0.261 -9.887 1.00 0.00 N ATOM 0 H GLN A 9 -11.498 2.753 -9.041 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.744 2.895 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.182 1.414 -7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.743 0.617 -7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.738 2.163 -10.118 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.395 0.461 -9.878 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.499 -0.855 -9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.890 -0.554 -10.265 1.00 0.00 H new ATOM 99 N ARG A 10 -8.129 4.464 -7.818 1.00 0.00 N ATOM 100 CA ARG A 10 -7.393 5.588 -8.384 1.00 0.00 C ATOM 101 C ARG A 10 -5.900 5.279 -8.457 1.00 0.00 C ATOM 102 O ARG A 10 -5.356 4.588 -7.595 1.00 0.00 O ATOM 103 CB ARG A 10 -7.622 6.849 -7.548 1.00 0.00 C ATOM 104 CG ARG A 10 -7.000 8.099 -8.148 1.00 0.00 C ATOM 105 CD ARG A 10 -6.814 9.186 -7.101 1.00 0.00 C ATOM 106 NE ARG A 10 -6.823 10.522 -7.692 1.00 0.00 N ATOM 107 CZ ARG A 10 -7.923 11.123 -8.133 1.00 0.00 C ATOM 108 NH1 ARG A 10 -9.095 10.510 -8.051 1.00 0.00 N ATOM 109 NH2 ARG A 10 -7.850 12.339 -8.658 1.00 0.00 N ATOM 0 H ARG A 10 -7.772 4.135 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.762 5.758 -9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.694 7.007 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.212 6.693 -6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.036 7.850 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.634 8.472 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.608 9.113 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.871 9.028 -6.577 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.937 11.021 -7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.154 9.575 -7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.938 10.974 -8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.949 12.813 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.695 12.800 -8.996 1.00 0.00 H new ATOM 123 N CYS A 11 -5.245 5.793 -9.492 1.00 0.00 N ATOM 124 CA CYS A 11 -3.816 5.571 -9.679 1.00 0.00 C ATOM 125 C CYS A 11 -3.001 6.668 -9.001 1.00 0.00 C ATOM 126 O CYS A 11 -3.330 7.851 -9.099 1.00 0.00 O ATOM 127 CB CYS A 11 -3.478 5.514 -11.169 1.00 0.00 C ATOM 128 SG CYS A 11 -3.727 7.078 -12.042 1.00 0.00 S ATOM 0 H CYS A 11 -5.681 6.366 -10.214 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.559 4.617 -9.219 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.438 5.208 -11.283 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.090 4.745 -11.641 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.650 8.063 -11.198 1.00 0.00 H new ATOM 134 N VAL A 12 -1.937 6.269 -8.312 1.00 0.00 N ATOM 135 CA VAL A 12 -1.076 7.218 -7.617 1.00 0.00 C ATOM 136 C VAL A 12 0.380 6.769 -7.656 1.00 0.00 C ATOM 137 O VAL A 12 0.705 5.647 -7.266 1.00 0.00 O ATOM 138 CB VAL A 12 -1.508 7.398 -6.150 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.517 6.059 -5.428 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.593 8.387 -5.443 1.00 0.00 C ATOM 0 H VAL A 12 -1.651 5.294 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.173 8.172 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.521 7.799 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.825 6.206 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.216 5.384 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.517 5.626 -5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.913 8.502 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.432 8.016 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.642 9.352 -5.947 1.00 0.00 H new ATOM 150 N ILE A 13 1.254 7.651 -8.128 1.00 0.00 N ATOM 151 CA ILE A 13 2.677 7.346 -8.216 1.00 0.00 C ATOM 152 C ILE A 13 3.436 7.915 -7.022 1.00 0.00 C ATOM 153 O ILE A 13 3.207 9.054 -6.614 1.00 0.00 O ATOM 154 CB ILE A 13 3.293 7.901 -9.513 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.663 7.225 -10.733 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.801 7.702 -9.511 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.985 7.914 -12.040 1.00 0.00 C ATOM 0 H ILE A 13 1.002 8.583 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 13 2.767 6.260 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 13 3.087 8.970 -9.567 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.006 6.191 -10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.581 7.196 -10.604 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.222 8.100 -10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.236 8.225 -8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.028 6.638 -9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.505 7.380 -12.860 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.618 8.940 -12.011 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.064 7.919 -12.192 1.00 0.00 H new ATOM 169 N ILE A 14 4.340 7.115 -6.467 1.00 0.00 N ATOM 170 CA ILE A 14 5.135 7.540 -5.322 1.00 0.00 C ATOM 171 C ILE A 14 6.616 7.246 -5.541 1.00 0.00 C ATOM 172 O ILE A 14 6.997 6.110 -5.819 1.00 0.00 O ATOM 173 CB ILE A 14 4.672 6.848 -4.027 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.185 7.114 -3.785 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.500 7.328 -2.844 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.556 6.166 -2.788 1.00 0.00 C ATOM 0 H ILE A 14 4.540 6.169 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 14 4.992 8.616 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 14 4.818 5.773 -4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.060 8.137 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.652 7.038 -4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.160 6.830 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.550 7.093 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.383 8.406 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.501 6.413 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.649 5.142 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.064 6.258 -1.828 1.00 0.00 H new ATOM 188 N GLN A 15 7.444 8.277 -5.411 1.00 0.00 N ATOM 189 CA GLN A 15 8.883 8.128 -5.593 1.00 0.00 C ATOM 190 C GLN A 15 9.598 8.057 -4.248 1.00 0.00 C ATOM 191 O GLN A 15 9.142 8.633 -3.259 1.00 0.00 O ATOM 192 CB GLN A 15 9.437 9.291 -6.418 1.00 0.00 C ATOM 193 CG GLN A 15 9.413 10.623 -5.685 1.00 0.00 C ATOM 194 CD GLN A 15 8.094 11.353 -5.845 1.00 0.00 C ATOM 195 OE1 GLN A 15 7.785 11.870 -6.919 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.309 11.399 -4.776 1.00 0.00 N ATOM 0 H GLN A 15 7.144 9.224 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 15 9.061 7.195 -6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.463 9.064 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.859 9.381 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.604 10.454 -4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.220 11.253 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.606 10.957 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.409 11.877 -4.824 1.00 0.00 H new ATOM 205 N LYS A 16 10.721 7.348 -4.216 1.00 0.00 N ATOM 206 CA LYS A 16 11.500 7.202 -2.993 1.00 0.00 C ATOM 207 C LYS A 16 12.342 8.447 -2.732 1.00 0.00 C ATOM 208 O LYS A 16 12.744 9.142 -3.665 1.00 0.00 O ATOM 209 CB LYS A 16 12.405 5.971 -3.084 1.00 0.00 C ATOM 210 CG LYS A 16 13.256 5.934 -4.342 1.00 0.00 C ATOM 211 CD LYS A 16 14.470 5.036 -4.168 1.00 0.00 C ATOM 212 CE LYS A 16 15.476 5.235 -5.291 1.00 0.00 C ATOM 213 NZ LYS A 16 15.130 4.430 -6.495 1.00 0.00 N ATOM 0 H LYS A 16 11.112 6.865 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 16 10.805 7.074 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.059 5.946 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.788 5.073 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.655 5.577 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.582 6.944 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.946 5.247 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.152 3.994 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.516 6.291 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.470 4.957 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.344 4.978 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.688 3.552 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.117 4.196 -6.477 1.00 0.00 H new ATOM 281 N PHE A 21 11.170 4.906 0.480 1.00 0.00 N ATOM 282 CA PHE A 21 9.835 5.403 0.170 1.00 0.00 C ATOM 283 C PHE A 21 9.187 6.026 1.403 1.00 0.00 C ATOM 284 O PHE A 21 8.915 7.226 1.436 1.00 0.00 O ATOM 285 CB PHE A 21 8.957 4.268 -0.363 1.00 0.00 C ATOM 286 CG PHE A 21 9.242 3.912 -1.794 1.00 0.00 C ATOM 287 CD1 PHE A 21 10.341 3.134 -2.123 1.00 0.00 C ATOM 288 CD2 PHE A 21 8.411 4.355 -2.811 1.00 0.00 C ATOM 289 CE1 PHE A 21 10.605 2.804 -3.438 1.00 0.00 C ATOM 290 CE2 PHE A 21 8.671 4.028 -4.128 1.00 0.00 C ATOM 291 CZ PHE A 21 9.770 3.253 -4.442 1.00 0.00 C ATOM 0 HA PHE A 21 9.929 6.172 -0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.102 3.385 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.910 4.555 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.999 2.782 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.551 4.962 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.464 2.195 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.015 4.378 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.976 2.998 -5.471 1.00 0.00 H new ATOM 301 N GLY A 22 8.941 5.201 2.416 1.00 0.00 N ATOM 302 CA GLY A 22 8.326 5.688 3.637 1.00 0.00 C ATOM 303 C GLY A 22 7.100 4.887 4.029 1.00 0.00 C ATOM 304 O GLY A 22 6.912 4.560 5.201 1.00 0.00 O ATOM 0 H GLY A 22 9.157 4.204 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.055 5.651 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.047 6.734 3.507 1.00 0.00 H new ATOM 308 N PHE A 23 6.264 4.570 3.046 1.00 0.00 N ATOM 309 CA PHE A 23 5.048 3.804 3.295 1.00 0.00 C ATOM 310 C PHE A 23 5.362 2.318 3.444 1.00 0.00 C ATOM 311 O PHE A 23 6.216 1.778 2.740 1.00 0.00 O ATOM 312 CB PHE A 23 4.047 4.013 2.157 1.00 0.00 C ATOM 313 CG PHE A 23 4.389 3.249 0.909 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.324 3.742 0.014 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.775 2.039 0.633 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.640 3.042 -1.135 1.00 0.00 C ATOM 317 CE2 PHE A 23 4.087 1.333 -0.515 1.00 0.00 C ATOM 318 CZ PHE A 23 5.021 1.835 -1.399 1.00 0.00 C ATOM 0 H PHE A 23 6.406 4.831 2.070 1.00 0.00 H new ATOM 0 HA PHE A 23 4.609 4.160 4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.055 3.713 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.995 5.076 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.812 4.684 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.044 1.642 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.370 3.438 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.601 0.391 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.268 1.285 -2.295 1.00 0.00 H new ATOM 328 N THR A 24 4.665 1.662 4.367 1.00 0.00 N ATOM 329 CA THR A 24 4.870 0.240 4.611 1.00 0.00 C ATOM 330 C THR A 24 3.641 -0.569 4.213 1.00 0.00 C ATOM 331 O THR A 24 2.556 -0.017 4.024 1.00 0.00 O ATOM 332 CB THR A 24 5.195 -0.035 6.091 1.00 0.00 C ATOM 333 OG1 THR A 24 4.204 0.569 6.930 1.00 0.00 O ATOM 334 CG2 THR A 24 6.570 0.504 6.453 1.00 0.00 C ATOM 0 H THR A 24 3.954 2.093 4.958 1.00 0.00 H new ATOM 0 HA THR A 24 5.717 -0.067 3.998 1.00 0.00 H new ATOM 0 HB THR A 24 5.194 -1.114 6.246 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.417 0.388 7.869 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.777 0.298 7.503 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.325 0.021 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.595 1.580 6.283 1.00 0.00 H new ATOM 342 N VAL A 25 3.816 -1.881 4.089 1.00 0.00 N ATOM 343 CA VAL A 25 2.719 -2.766 3.715 1.00 0.00 C ATOM 344 C VAL A 25 2.873 -4.136 4.367 1.00 0.00 C ATOM 345 O VAL A 25 3.921 -4.453 4.929 1.00 0.00 O ATOM 346 CB VAL A 25 2.636 -2.943 2.187 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.054 -1.697 1.537 1.00 0.00 C ATOM 348 CG2 VAL A 25 4.007 -3.264 1.613 1.00 0.00 C ATOM 0 H VAL A 25 4.707 -2.354 4.242 1.00 0.00 H new ATOM 0 HA VAL A 25 1.800 -2.299 4.069 1.00 0.00 H new ATOM 0 HB VAL A 25 1.973 -3.780 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.003 -1.840 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.052 -1.517 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.689 -0.840 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.930 -3.386 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.695 -2.449 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.380 -4.187 2.056 1.00 0.00 H new ATOM 358 N SER A 26 1.821 -4.945 4.286 1.00 0.00 N ATOM 359 CA SER A 26 1.837 -6.280 4.871 1.00 0.00 C ATOM 360 C SER A 26 0.617 -7.082 4.428 1.00 0.00 C ATOM 361 O SER A 26 -0.480 -6.542 4.296 1.00 0.00 O ATOM 362 CB SER A 26 1.876 -6.191 6.398 1.00 0.00 C ATOM 363 OG SER A 26 2.200 -7.445 6.974 1.00 0.00 O ATOM 0 H SER A 26 0.947 -4.699 3.821 1.00 0.00 H new ATOM 0 HA SER A 26 2.733 -6.792 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.611 -5.446 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.908 -5.855 6.771 1.00 0.00 H new ATOM 0 HG SER A 26 2.220 -7.361 7.950 1.00 0.00 H new ATOM 369 N GLY A 27 0.818 -8.377 4.200 1.00 0.00 N ATOM 370 CA GLY A 27 -0.273 -9.233 3.775 1.00 0.00 C ATOM 371 C GLY A 27 0.134 -10.183 2.666 1.00 0.00 C ATOM 372 O GLY A 27 0.873 -9.806 1.756 1.00 0.00 O ATOM 0 H GLY A 27 1.717 -8.848 4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.633 -9.808 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.104 -8.615 3.434 1.00 0.00 H new ATOM 376 N ASP A 28 -0.347 -11.419 2.742 1.00 0.00 N ATOM 377 CA ASP A 28 -0.028 -12.427 1.737 1.00 0.00 C ATOM 378 C ASP A 28 -0.855 -12.214 0.473 1.00 0.00 C ATOM 379 O ASP A 28 -0.330 -11.806 -0.563 1.00 0.00 O ATOM 380 CB ASP A 28 -0.277 -13.829 2.294 1.00 0.00 C ATOM 381 CG ASP A 28 0.233 -13.988 3.713 1.00 0.00 C ATOM 382 OD1 ASP A 28 1.452 -14.198 3.886 1.00 0.00 O ATOM 383 OD2 ASP A 28 -0.587 -13.900 4.650 1.00 0.00 O ATOM 0 H ASP A 28 -0.959 -11.747 3.489 1.00 0.00 H new ATOM 0 HA ASP A 28 1.027 -12.328 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.346 -14.042 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.209 -14.563 1.652 1.00 0.00 H new ATOM 388 N ARG A 29 -2.151 -12.495 0.565 1.00 0.00 N ATOM 389 CA ARG A 29 -3.050 -12.336 -0.572 1.00 0.00 C ATOM 390 C ARG A 29 -3.282 -10.860 -0.880 1.00 0.00 C ATOM 391 O ARG A 29 -2.742 -10.326 -1.848 1.00 0.00 O ATOM 392 CB ARG A 29 -4.387 -13.026 -0.292 1.00 0.00 C ATOM 393 CG ARG A 29 -4.407 -14.495 -0.681 1.00 0.00 C ATOM 394 CD ARG A 29 -5.484 -15.257 0.076 1.00 0.00 C ATOM 395 NE ARG A 29 -5.669 -16.608 -0.449 1.00 0.00 N ATOM 396 CZ ARG A 29 -6.363 -16.880 -1.548 1.00 0.00 C ATOM 397 NH1 ARG A 29 -6.932 -15.900 -2.237 1.00 0.00 N ATOM 398 NH2 ARG A 29 -6.487 -18.134 -1.962 1.00 0.00 N ATOM 0 H ARG A 29 -2.602 -12.834 1.415 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.583 -12.801 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.617 -12.937 0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.176 -12.505 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.581 -14.586 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.433 -14.940 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.216 -15.311 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.426 -14.712 0.014 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.242 -17.384 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.837 -14.934 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.464 -16.112 -3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.049 -18.890 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.020 -18.342 -2.806 1.00 0.00 H new ATOM 412 N ILE A 30 -4.090 -10.208 -0.050 1.00 0.00 N ATOM 413 CA ILE A 30 -4.392 -8.794 -0.234 1.00 0.00 C ATOM 414 C ILE A 30 -3.392 -7.916 0.510 1.00 0.00 C ATOM 415 O ILE A 30 -3.091 -8.154 1.680 1.00 0.00 O ATOM 416 CB ILE A 30 -5.815 -8.455 0.250 1.00 0.00 C ATOM 417 CG1 ILE A 30 -5.874 -8.470 1.779 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.820 -9.436 -0.334 1.00 0.00 C ATOM 419 CD1 ILE A 30 -5.543 -7.135 2.409 1.00 0.00 C ATOM 0 H ILE A 30 -4.547 -10.636 0.755 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.322 -8.593 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.072 -7.453 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.873 -8.773 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.180 -9.222 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.821 -9.184 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.792 -9.381 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.568 -10.448 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.604 -7.219 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.533 -6.839 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.253 -6.383 2.063 1.00 0.00 H new ATOM 431 N VAL A 31 -2.880 -6.899 -0.175 1.00 0.00 N ATOM 432 CA VAL A 31 -1.916 -5.983 0.421 1.00 0.00 C ATOM 433 C VAL A 31 -2.585 -4.681 0.848 1.00 0.00 C ATOM 434 O VAL A 31 -3.234 -4.011 0.044 1.00 0.00 O ATOM 435 CB VAL A 31 -0.769 -5.661 -0.556 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.127 -4.571 0.013 1.00 0.00 C ATOM 437 CG2 VAL A 31 0.034 -6.915 -0.866 1.00 0.00 C ATOM 0 H VAL A 31 -3.117 -6.689 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.507 -6.483 1.299 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.200 -5.294 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.931 -4.357 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.460 -3.668 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.552 -4.906 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.840 -6.669 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.456 -7.314 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.618 -7.662 -1.319 1.00 0.00 H new ATOM 447 N LEU A 32 -2.423 -4.328 2.119 1.00 0.00 N ATOM 448 CA LEU A 32 -3.011 -3.106 2.654 1.00 0.00 C ATOM 449 C LEU A 32 -1.939 -2.205 3.259 1.00 0.00 C ATOM 450 O LEU A 32 -0.940 -2.685 3.796 1.00 0.00 O ATOM 451 CB LEU A 32 -4.064 -3.443 3.711 1.00 0.00 C ATOM 452 CG LEU A 32 -5.485 -3.673 3.193 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.331 -4.370 4.247 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.122 -2.353 2.782 1.00 0.00 C ATOM 0 H LEU A 32 -1.889 -4.871 2.798 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.488 -2.572 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.743 -4.339 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.091 -2.633 4.440 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.432 -4.317 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.338 -4.525 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.884 -5.333 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.377 -3.752 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.132 -2.535 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.163 -1.685 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.528 -1.892 1.993 1.00 0.00 H new ATOM 466 N VAL A 33 -2.153 -0.896 3.169 1.00 0.00 N ATOM 467 CA VAL A 33 -1.207 0.072 3.710 1.00 0.00 C ATOM 468 C VAL A 33 -1.256 0.098 5.233 1.00 0.00 C ATOM 469 O VAL A 33 -2.273 0.460 5.825 1.00 0.00 O ATOM 470 CB VAL A 33 -1.486 1.489 3.175 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.535 2.496 3.805 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.375 1.517 1.658 1.00 0.00 C ATOM 0 H VAL A 33 -2.973 -0.482 2.726 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.215 -0.242 3.387 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.504 1.767 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.748 3.491 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.668 2.495 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.493 2.225 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.575 2.526 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.370 1.218 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.101 0.827 1.227 1.00 0.00 H new ATOM 482 N GLN A 34 -0.152 -0.290 5.863 1.00 0.00 N ATOM 483 CA GLN A 34 -0.070 -0.312 7.318 1.00 0.00 C ATOM 484 C GLN A 34 0.057 1.101 7.878 1.00 0.00 C ATOM 485 O GLN A 34 -0.659 1.479 8.805 1.00 0.00 O ATOM 486 CB GLN A 34 1.119 -1.161 7.771 1.00 0.00 C ATOM 487 CG GLN A 34 1.138 -1.434 9.266 1.00 0.00 C ATOM 488 CD GLN A 34 2.442 -2.054 9.730 1.00 0.00 C ATOM 489 OE1 GLN A 34 2.639 -3.265 9.623 1.00 0.00 O ATOM 490 NE2 GLN A 34 3.340 -1.225 10.248 1.00 0.00 N ATOM 0 H GLN A 34 0.698 -0.593 5.388 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.990 -0.754 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.101 -2.111 7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.043 -0.656 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.972 -0.501 9.804 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.313 -2.099 9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.134 -0.228 10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.236 -1.585 10.577 1.00 0.00 H new ATOM 499 N SER A 35 0.973 1.878 7.308 1.00 0.00 N ATOM 500 CA SER A 35 1.197 3.248 7.753 1.00 0.00 C ATOM 501 C SER A 35 1.787 4.095 6.629 1.00 0.00 C ATOM 502 O SER A 35 2.314 3.567 5.650 1.00 0.00 O ATOM 503 CB SER A 35 2.130 3.267 8.965 1.00 0.00 C ATOM 504 OG SER A 35 1.446 2.876 10.143 1.00 0.00 O ATOM 0 H SER A 35 1.572 1.582 6.537 1.00 0.00 H new ATOM 0 HA SER A 35 0.235 3.673 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.972 2.597 8.790 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.541 4.268 9.095 1.00 0.00 H new ATOM 0 HG SER A 35 0.600 2.443 9.902 1.00 0.00 H new ATOM 510 N VAL A 36 1.693 5.412 6.778 1.00 0.00 N ATOM 511 CA VAL A 36 2.218 6.334 5.777 1.00 0.00 C ATOM 512 C VAL A 36 3.108 7.392 6.417 1.00 0.00 C ATOM 513 O VAL A 36 2.634 8.245 7.168 1.00 0.00 O ATOM 514 CB VAL A 36 1.081 7.032 5.006 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.642 8.104 4.084 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.266 6.014 4.222 1.00 0.00 C ATOM 0 H VAL A 36 1.258 5.865 7.582 1.00 0.00 H new ATOM 0 HA VAL A 36 2.809 5.741 5.079 1.00 0.00 H new ATOM 0 HB VAL A 36 0.420 7.515 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.825 8.586 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.178 8.848 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.326 7.647 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.533 6.524 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.913 5.500 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.167 5.287 4.909 1.00 0.00 H new ATOM 526 N ARG A 37 4.401 7.332 6.115 1.00 0.00 N ATOM 527 CA ARG A 37 5.358 8.286 6.662 1.00 0.00 C ATOM 528 C ARG A 37 4.741 9.677 6.767 1.00 0.00 C ATOM 529 O ARG A 37 4.054 10.148 5.860 1.00 0.00 O ATOM 530 CB ARG A 37 6.614 8.338 5.790 1.00 0.00 C ATOM 531 CG ARG A 37 7.750 9.139 6.404 1.00 0.00 C ATOM 532 CD ARG A 37 8.481 8.340 7.472 1.00 0.00 C ATOM 533 NE ARG A 37 9.590 7.569 6.915 1.00 0.00 N ATOM 534 CZ ARG A 37 10.536 7.002 7.656 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.507 7.118 8.976 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.512 6.316 7.076 1.00 0.00 N ATOM 0 H ARG A 37 4.810 6.633 5.495 1.00 0.00 H new ATOM 0 HA ARG A 37 5.632 7.953 7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.958 7.321 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.357 8.771 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.452 9.434 5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.355 10.056 6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.859 9.018 8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.780 7.665 7.963 1.00 0.00 H new ATOM 0 HE ARG A 37 9.641 7.460 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.757 7.644 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.234 6.682 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.537 6.224 6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.238 5.881 7.646 1.00 0.00 H new ATOM 550 N PRO A 38 4.989 10.352 7.899 1.00 0.00 N ATOM 551 CA PRO A 38 4.467 11.699 8.149 1.00 0.00 C ATOM 552 C PRO A 38 5.126 12.750 7.263 1.00 0.00 C ATOM 553 O PRO A 38 6.130 13.353 7.640 1.00 0.00 O ATOM 554 CB PRO A 38 4.813 11.946 9.620 1.00 0.00 C ATOM 555 CG PRO A 38 5.988 11.069 9.885 1.00 0.00 C ATOM 556 CD PRO A 38 5.800 9.852 9.022 1.00 0.00 C ATOM 0 HA PRO A 38 3.402 11.770 7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.053 12.994 9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.976 11.694 10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.919 11.580 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.041 10.796 10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.754 9.450 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.291 9.052 9.560 1.00 0.00 H new ATOM 564 N GLY A 39 4.555 12.964 6.081 1.00 0.00 N ATOM 565 CA GLY A 39 5.101 13.943 5.160 1.00 0.00 C ATOM 566 C GLY A 39 6.241 13.386 4.330 1.00 0.00 C ATOM 567 O GLY A 39 7.139 14.122 3.923 1.00 0.00 O ATOM 0 H GLY A 39 3.724 12.477 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.310 14.294 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.453 14.808 5.721 1.00 0.00 H new ATOM 571 N GLY A 40 6.205 12.081 4.079 1.00 0.00 N ATOM 572 CA GLY A 40 7.249 11.448 3.295 1.00 0.00 C ATOM 573 C GLY A 40 7.002 11.557 1.804 1.00 0.00 C ATOM 574 O GLY A 40 6.787 12.651 1.283 1.00 0.00 O ATOM 0 H GLY A 40 5.472 11.451 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.208 11.907 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.320 10.396 3.572 1.00 0.00 H new ATOM 578 N ALA A 41 7.034 10.421 1.115 1.00 0.00 N ATOM 579 CA ALA A 41 6.811 10.395 -0.325 1.00 0.00 C ATOM 580 C ALA A 41 5.381 9.977 -0.652 1.00 0.00 C ATOM 581 O ALA A 41 4.758 10.523 -1.562 1.00 0.00 O ATOM 582 CB ALA A 41 7.803 9.456 -0.995 1.00 0.00 C ATOM 0 H ALA A 41 7.212 9.507 1.531 1.00 0.00 H new ATOM 0 HA ALA A 41 6.964 11.403 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.625 9.446 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.819 9.799 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.677 8.449 -0.597 1.00 0.00 H new ATOM 588 N ALA A 42 4.868 9.006 0.096 1.00 0.00 N ATOM 589 CA ALA A 42 3.511 8.517 -0.114 1.00 0.00 C ATOM 590 C ALA A 42 2.480 9.549 0.331 1.00 0.00 C ATOM 591 O ALA A 42 1.518 9.826 -0.384 1.00 0.00 O ATOM 592 CB ALA A 42 3.302 7.206 0.630 1.00 0.00 C ATOM 0 H ALA A 42 5.371 8.543 0.853 1.00 0.00 H new ATOM 0 HA ALA A 42 3.375 8.343 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.284 6.852 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.009 6.462 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.463 7.363 1.697 1.00 0.00 H new ATOM 598 N MET A 43 2.688 10.115 1.515 1.00 0.00 N ATOM 599 CA MET A 43 1.777 11.117 2.054 1.00 0.00 C ATOM 600 C MET A 43 1.525 12.226 1.037 1.00 0.00 C ATOM 601 O MET A 43 0.381 12.607 0.789 1.00 0.00 O ATOM 602 CB MET A 43 2.343 11.712 3.344 1.00 0.00 C ATOM 603 CG MET A 43 1.329 12.521 4.137 1.00 0.00 C ATOM 604 SD MET A 43 -0.042 11.517 4.740 1.00 0.00 S ATOM 605 CE MET A 43 0.545 11.090 6.377 1.00 0.00 C ATOM 0 H MET A 43 3.480 9.897 2.120 1.00 0.00 H new ATOM 0 HA MET A 43 0.828 10.627 2.274 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.722 10.905 3.971 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.192 12.350 3.098 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.828 12.993 4.983 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.939 13.322 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.196 10.468 6.879 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.484 10.542 6.295 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.705 12.000 6.955 1.00 0.00 H new ATOM 615 N LYS A 44 2.601 12.740 0.451 1.00 0.00 N ATOM 616 CA LYS A 44 2.498 13.805 -0.540 1.00 0.00 C ATOM 617 C LYS A 44 1.529 13.419 -1.654 1.00 0.00 C ATOM 618 O LYS A 44 0.707 14.229 -2.082 1.00 0.00 O ATOM 619 CB LYS A 44 3.875 14.114 -1.132 1.00 0.00 C ATOM 620 CG LYS A 44 4.791 14.865 -0.181 1.00 0.00 C ATOM 621 CD LYS A 44 5.829 15.680 -0.934 1.00 0.00 C ATOM 622 CE LYS A 44 7.056 14.846 -1.269 1.00 0.00 C ATOM 623 NZ LYS A 44 6.817 13.950 -2.434 1.00 0.00 N ATOM 0 H LYS A 44 3.555 12.436 0.645 1.00 0.00 H new ATOM 0 HA LYS A 44 2.116 14.696 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.354 13.179 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.747 14.702 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.198 15.525 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.292 14.156 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.391 16.070 -1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.125 16.539 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.896 15.506 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.336 14.248 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.717 13.769 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.416 13.049 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.151 14.405 -3.091 1.00 0.00 H new ATOM 637 N ALA A 45 1.631 12.178 -2.117 1.00 0.00 N ATOM 638 CA ALA A 45 0.762 11.684 -3.178 1.00 0.00 C ATOM 639 C ALA A 45 -0.702 11.724 -2.751 1.00 0.00 C ATOM 640 O ALA A 45 -1.595 11.910 -3.577 1.00 0.00 O ATOM 641 CB ALA A 45 1.160 10.270 -3.572 1.00 0.00 C ATOM 0 H ALA A 45 2.307 11.496 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 45 0.880 12.336 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.502 9.915 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.191 10.268 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.073 9.613 -2.707 1.00 0.00 H new ATOM 647 N GLY A 46 -0.941 11.548 -1.455 1.00 0.00 N ATOM 648 CA GLY A 46 -2.298 11.566 -0.942 1.00 0.00 C ATOM 649 C GLY A 46 -2.790 10.186 -0.553 1.00 0.00 C ATOM 650 O GLY A 46 -3.946 9.839 -0.796 1.00 0.00 O ATOM 0 H GLY A 46 -0.219 11.393 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.346 12.223 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.963 11.986 -1.697 1.00 0.00 H new ATOM 654 N VAL A 47 -1.909 9.394 0.051 1.00 0.00 N ATOM 655 CA VAL A 47 -2.260 8.043 0.474 1.00 0.00 C ATOM 656 C VAL A 47 -2.400 7.961 1.990 1.00 0.00 C ATOM 657 O VAL A 47 -1.666 8.617 2.729 1.00 0.00 O ATOM 658 CB VAL A 47 -1.206 7.020 0.011 1.00 0.00 C ATOM 659 CG1 VAL A 47 -1.557 5.628 0.515 1.00 0.00 C ATOM 660 CG2 VAL A 47 -1.083 7.031 -1.505 1.00 0.00 C ATOM 0 H VAL A 47 -0.948 9.665 0.258 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.217 7.804 0.010 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.241 7.302 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.802 4.918 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.590 5.633 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.531 5.334 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.334 6.302 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.044 6.774 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.782 8.024 -1.838 1.00 0.00 H new ATOM 670 N LYS A 48 -3.349 7.151 2.447 1.00 0.00 N ATOM 671 CA LYS A 48 -3.586 6.979 3.876 1.00 0.00 C ATOM 672 C LYS A 48 -3.741 5.504 4.229 1.00 0.00 C ATOM 673 O LYS A 48 -3.794 4.648 3.346 1.00 0.00 O ATOM 674 CB LYS A 48 -4.837 7.751 4.301 1.00 0.00 C ATOM 675 CG LYS A 48 -4.652 9.258 4.301 1.00 0.00 C ATOM 676 CD LYS A 48 -3.992 9.739 5.582 1.00 0.00 C ATOM 677 CE LYS A 48 -4.985 9.797 6.733 1.00 0.00 C ATOM 678 NZ LYS A 48 -4.319 10.130 8.023 1.00 0.00 N ATOM 0 H LYS A 48 -3.967 6.603 1.848 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.723 7.373 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.657 7.494 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.130 7.430 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.044 9.551 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.621 9.744 4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.171 9.071 5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.561 10.727 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.750 10.543 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.493 8.837 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.029 10.160 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.607 9.405 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.856 11.058 7.945 1.00 0.00 H new ATOM 692 N GLU A 49 -3.813 5.214 5.524 1.00 0.00 N ATOM 693 CA GLU A 49 -3.963 3.841 5.992 1.00 0.00 C ATOM 694 C GLU A 49 -5.326 3.278 5.600 1.00 0.00 C ATOM 695 O GLU A 49 -6.312 4.010 5.518 1.00 0.00 O ATOM 696 CB GLU A 49 -3.789 3.774 7.510 1.00 0.00 C ATOM 697 CG GLU A 49 -2.348 3.932 7.965 1.00 0.00 C ATOM 698 CD GLU A 49 -2.232 4.203 9.453 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.456 3.265 10.246 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.916 5.353 9.823 1.00 0.00 O ATOM 0 H GLU A 49 -3.770 5.911 6.268 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.190 3.237 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.394 4.554 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.172 2.819 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.792 3.027 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.884 4.750 7.413 1.00 0.00 H new ATOM 707 N GLY A 50 -5.373 1.971 5.358 1.00 0.00 N ATOM 708 CA GLY A 50 -6.619 1.332 4.977 1.00 0.00 C ATOM 709 C GLY A 50 -6.854 1.366 3.480 1.00 0.00 C ATOM 710 O GLY A 50 -7.996 1.428 3.025 1.00 0.00 O ATOM 0 H GLY A 50 -4.571 1.344 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.611 0.296 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.447 1.828 5.483 1.00 0.00 H new ATOM 714 N ASP A 51 -5.771 1.326 2.712 1.00 0.00 N ATOM 715 CA ASP A 51 -5.864 1.353 1.257 1.00 0.00 C ATOM 716 C ASP A 51 -5.372 0.040 0.657 1.00 0.00 C ATOM 717 O ASP A 51 -4.178 -0.261 0.690 1.00 0.00 O ATOM 718 CB ASP A 51 -5.052 2.521 0.694 1.00 0.00 C ATOM 719 CG ASP A 51 -5.831 3.822 0.698 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.965 3.836 0.174 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.307 4.825 1.225 1.00 0.00 O ATOM 0 H ASP A 51 -4.818 1.275 3.073 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.912 1.485 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.142 2.644 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.744 2.288 -0.325 1.00 0.00 H new ATOM 726 N ARG A 52 -6.299 -0.739 0.109 1.00 0.00 N ATOM 727 CA ARG A 52 -5.960 -2.021 -0.496 1.00 0.00 C ATOM 728 C ARG A 52 -5.502 -1.836 -1.940 1.00 0.00 C ATOM 729 O ARG A 52 -6.313 -1.584 -2.831 1.00 0.00 O ATOM 730 CB ARG A 52 -7.162 -2.966 -0.448 1.00 0.00 C ATOM 731 CG ARG A 52 -6.788 -4.434 -0.567 1.00 0.00 C ATOM 732 CD ARG A 52 -8.002 -5.334 -0.396 1.00 0.00 C ATOM 733 NE ARG A 52 -8.639 -5.152 0.906 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.536 -4.206 1.160 1.00 0.00 C ATOM 735 NH1 ARG A 52 -9.901 -3.361 0.206 1.00 0.00 N ATOM 736 NH2 ARG A 52 -10.071 -4.105 2.370 1.00 0.00 N ATOM 0 H ARG A 52 -7.291 -0.504 0.072 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.140 -2.458 0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.698 -2.811 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.848 -2.708 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.332 -4.617 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.041 -4.682 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.724 -5.123 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.700 -6.375 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.381 -5.786 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.493 -3.436 -0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.590 -2.635 0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.793 -4.754 3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.760 -3.378 2.564 1.00 0.00 H new ATOM 750 N ILE A 53 -4.198 -1.963 -2.162 1.00 0.00 N ATOM 751 CA ILE A 53 -3.633 -1.811 -3.497 1.00 0.00 C ATOM 752 C ILE A 53 -4.021 -2.981 -4.395 1.00 0.00 C ATOM 753 O ILE A 53 -3.906 -4.142 -4.003 1.00 0.00 O ATOM 754 CB ILE A 53 -2.098 -1.702 -3.450 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.676 -0.493 -2.612 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.530 -1.601 -4.857 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.219 -0.517 -2.207 1.00 0.00 C ATOM 0 H ILE A 53 -3.513 -2.171 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.042 -0.888 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.699 -2.602 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.872 0.418 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.293 -0.450 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.444 -1.525 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.805 -2.490 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.933 -0.716 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.009 0.370 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.021 -1.410 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.407 -0.529 -3.100 1.00 0.00 H new ATOM 769 N ILE A 54 -4.478 -2.666 -5.603 1.00 0.00 N ATOM 770 CA ILE A 54 -4.880 -3.691 -6.558 1.00 0.00 C ATOM 771 C ILE A 54 -3.756 -3.996 -7.542 1.00 0.00 C ATOM 772 O ILE A 54 -3.398 -5.155 -7.755 1.00 0.00 O ATOM 773 CB ILE A 54 -6.135 -3.268 -7.344 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.119 -2.543 -6.424 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.794 -4.481 -7.982 1.00 0.00 C ATOM 776 CD1 ILE A 54 -7.782 -3.451 -5.412 1.00 0.00 C ATOM 0 H ILE A 54 -4.579 -1.710 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.108 -4.587 -5.981 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.835 -2.583 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.592 -1.748 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.888 -2.067 -7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.680 -4.166 -8.534 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.092 -4.959 -8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.084 -5.189 -7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.466 -2.869 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.337 -4.231 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.021 -3.908 -4.779 1.00 0.00 H new ATOM 788 N LYS A 55 -3.200 -2.948 -8.140 1.00 0.00 N ATOM 789 CA LYS A 55 -2.114 -3.101 -9.101 1.00 0.00 C ATOM 790 C LYS A 55 -0.864 -2.364 -8.630 1.00 0.00 C ATOM 791 O LYS A 55 -0.946 -1.418 -7.847 1.00 0.00 O ATOM 792 CB LYS A 55 -2.541 -2.577 -10.473 1.00 0.00 C ATOM 793 CG LYS A 55 -1.729 -3.147 -11.622 1.00 0.00 C ATOM 794 CD LYS A 55 -2.474 -3.036 -12.942 1.00 0.00 C ATOM 795 CE LYS A 55 -2.966 -1.618 -13.186 1.00 0.00 C ATOM 796 NZ LYS A 55 -1.840 -0.674 -13.429 1.00 0.00 N ATOM 0 H LYS A 55 -3.484 -1.982 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.881 -4.163 -9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.593 -2.813 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.453 -1.491 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.779 -2.618 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.497 -4.193 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.818 -3.340 -13.758 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.322 -3.721 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.638 -1.610 -14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.543 -1.281 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.217 0.282 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.212 -0.663 -12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.304 -0.981 -14.266 1.00 0.00 H new ATOM 810 N VAL A 56 0.294 -2.804 -9.114 1.00 0.00 N ATOM 811 CA VAL A 56 1.561 -2.184 -8.745 1.00 0.00 C ATOM 812 C VAL A 56 2.472 -2.032 -9.957 1.00 0.00 C ATOM 813 O VAL A 56 3.031 -3.009 -10.454 1.00 0.00 O ATOM 814 CB VAL A 56 2.294 -3.005 -7.666 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.635 -2.370 -7.331 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.431 -3.137 -6.420 1.00 0.00 C ATOM 0 H VAL A 56 0.380 -3.587 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 56 1.326 -1.198 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 56 2.481 -4.005 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.138 -2.963 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.254 -2.332 -8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.475 -1.358 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.964 -3.720 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.212 -2.146 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.498 -3.640 -6.675 1.00 0.00 H new ATOM 826 N ASN A 57 2.617 -0.798 -10.430 1.00 0.00 N ATOM 827 CA ASN A 57 3.461 -0.516 -11.586 1.00 0.00 C ATOM 828 C ASN A 57 3.215 -1.530 -12.699 1.00 0.00 C ATOM 829 O ASN A 57 4.147 -1.967 -13.372 1.00 0.00 O ATOM 830 CB ASN A 57 4.937 -0.534 -11.182 1.00 0.00 C ATOM 831 CG ASN A 57 5.364 -1.871 -10.608 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.224 -2.117 -9.410 1.00 0.00 O ATOM 833 ND2 ASN A 57 5.887 -2.741 -11.463 1.00 0.00 N ATOM 0 H ASN A 57 2.161 0.022 -10.031 1.00 0.00 H new ATOM 0 HA ASN A 57 3.205 0.476 -11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.552 -0.302 -12.052 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.119 0.249 -10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.192 -3.657 -11.135 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.984 -2.493 -12.448 1.00 0.00 H new ATOM 840 N GLY A 58 1.951 -1.899 -12.887 1.00 0.00 N ATOM 841 CA GLY A 58 1.604 -2.858 -13.920 1.00 0.00 C ATOM 842 C GLY A 58 1.478 -4.269 -13.381 1.00 0.00 C ATOM 843 O GLY A 58 0.660 -5.055 -13.861 1.00 0.00 O ATOM 0 H GLY A 58 1.162 -1.551 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.662 -2.564 -14.383 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.364 -2.837 -14.701 1.00 0.00 H new ATOM 847 N THR A 59 2.291 -4.595 -12.381 1.00 0.00 N ATOM 848 CA THR A 59 2.269 -5.922 -11.779 1.00 0.00 C ATOM 849 C THR A 59 1.118 -6.057 -10.789 1.00 0.00 C ATOM 850 O THR A 59 1.079 -5.369 -9.770 1.00 0.00 O ATOM 851 CB THR A 59 3.593 -6.233 -11.056 1.00 0.00 C ATOM 852 OG1 THR A 59 4.689 -6.119 -11.969 1.00 0.00 O ATOM 853 CG2 THR A 59 3.567 -7.632 -10.458 1.00 0.00 C ATOM 0 H THR A 59 2.973 -3.957 -11.971 1.00 0.00 H new ATOM 0 HA THR A 59 2.131 -6.636 -12.591 1.00 0.00 H new ATOM 0 HB THR A 59 3.718 -5.512 -10.248 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.404 -6.733 -11.700 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.512 -7.829 -9.953 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.750 -7.706 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.420 -8.364 -11.252 1.00 0.00 H new ATOM 861 N MET A 60 0.181 -6.949 -11.096 1.00 0.00 N ATOM 862 CA MET A 60 -0.970 -7.176 -10.230 1.00 0.00 C ATOM 863 C MET A 60 -0.581 -8.010 -9.014 1.00 0.00 C ATOM 864 O MET A 60 -0.087 -9.129 -9.149 1.00 0.00 O ATOM 865 CB MET A 60 -2.088 -7.875 -11.006 1.00 0.00 C ATOM 866 CG MET A 60 -2.905 -6.934 -11.877 1.00 0.00 C ATOM 867 SD MET A 60 -3.858 -7.803 -13.136 1.00 0.00 S ATOM 868 CE MET A 60 -5.480 -7.830 -12.374 1.00 0.00 C ATOM 0 H MET A 60 0.197 -7.526 -11.937 1.00 0.00 H new ATOM 0 HA MET A 60 -1.328 -6.207 -9.883 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.652 -8.652 -11.634 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.753 -8.372 -10.300 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.583 -6.359 -11.247 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.237 -6.221 -12.360 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.184 -8.337 -13.034 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.427 -8.361 -11.424 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.817 -6.808 -12.200 1.00 0.00 H new ATOM 878 N VAL A 61 -0.806 -7.457 -7.826 1.00 0.00 N ATOM 879 CA VAL A 61 -0.479 -8.150 -6.586 1.00 0.00 C ATOM 880 C VAL A 61 -1.742 -8.557 -5.835 1.00 0.00 C ATOM 881 O VAL A 61 -1.776 -8.551 -4.604 1.00 0.00 O ATOM 882 CB VAL A 61 0.392 -7.274 -5.666 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.591 -6.728 -6.427 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.433 -6.142 -5.071 1.00 0.00 C ATOM 0 H VAL A 61 -1.213 -6.531 -7.697 1.00 0.00 H new ATOM 0 HA VAL A 61 0.081 -9.044 -6.861 1.00 0.00 H new ATOM 0 HB VAL A 61 0.762 -7.892 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.195 -6.112 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.193 -7.556 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.245 -6.124 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.198 -5.533 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.834 -5.523 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.255 -6.558 -4.489 1.00 0.00 H new ATOM 894 N THR A 62 -2.781 -8.913 -6.585 1.00 0.00 N ATOM 895 CA THR A 62 -4.047 -9.323 -5.991 1.00 0.00 C ATOM 896 C THR A 62 -3.895 -10.629 -5.219 1.00 0.00 C ATOM 897 O THR A 62 -4.597 -10.866 -4.237 1.00 0.00 O ATOM 898 CB THR A 62 -5.140 -9.497 -7.062 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.642 -10.291 -8.145 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.603 -8.147 -7.588 1.00 0.00 C ATOM 0 H THR A 62 -2.770 -8.925 -7.605 1.00 0.00 H new ATOM 0 HA THR A 62 -4.345 -8.531 -5.304 1.00 0.00 H new ATOM 0 HB THR A 62 -5.990 -10.001 -6.603 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.343 -10.399 -8.821 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.375 -8.296 -8.343 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.008 -7.556 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.758 -7.620 -8.032 1.00 0.00 H new ATOM 908 N ASN A 63 -2.973 -11.473 -5.670 1.00 0.00 N ATOM 909 CA ASN A 63 -2.729 -12.756 -5.020 1.00 0.00 C ATOM 910 C ASN A 63 -1.281 -12.861 -4.551 1.00 0.00 C ATOM 911 O ASN A 63 -0.997 -13.453 -3.510 1.00 0.00 O ATOM 912 CB ASN A 63 -3.051 -13.905 -5.978 1.00 0.00 C ATOM 913 CG ASN A 63 -2.351 -13.757 -7.315 1.00 0.00 C ATOM 914 OD1 ASN A 63 -1.154 -14.021 -7.434 1.00 0.00 O ATOM 915 ND2 ASN A 63 -3.096 -13.333 -8.329 1.00 0.00 N ATOM 0 H ASN A 63 -2.383 -11.292 -6.482 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.380 -12.824 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.757 -14.849 -5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.128 -13.950 -6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.680 -13.214 -9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.084 -13.126 -8.184 1.00 0.00 H new ATOM 922 N SER A 64 -0.369 -12.282 -5.326 1.00 0.00 N ATOM 923 CA SER A 64 1.050 -12.313 -4.991 1.00 0.00 C ATOM 924 C SER A 64 1.265 -12.025 -3.509 1.00 0.00 C ATOM 925 O SER A 64 0.386 -11.487 -2.836 1.00 0.00 O ATOM 926 CB SER A 64 1.817 -11.294 -5.837 1.00 0.00 C ATOM 927 OG SER A 64 1.697 -11.585 -7.218 1.00 0.00 O ATOM 0 H SER A 64 -0.588 -11.786 -6.190 1.00 0.00 H new ATOM 0 HA SER A 64 1.428 -13.312 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.436 -10.292 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.869 -11.298 -5.551 1.00 0.00 H new ATOM 0 HG SER A 64 2.194 -10.919 -7.737 1.00 0.00 H new ATOM 933 N SER A 65 2.440 -12.389 -3.006 1.00 0.00 N ATOM 934 CA SER A 65 2.771 -12.174 -1.602 1.00 0.00 C ATOM 935 C SER A 65 3.410 -10.804 -1.398 1.00 0.00 C ATOM 936 O SER A 65 3.836 -10.156 -2.355 1.00 0.00 O ATOM 937 CB SER A 65 3.717 -13.269 -1.106 1.00 0.00 C ATOM 938 OG SER A 65 4.920 -13.282 -1.854 1.00 0.00 O ATOM 0 H SER A 65 3.179 -12.834 -3.550 1.00 0.00 H new ATOM 0 HA SER A 65 1.846 -12.214 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.943 -13.109 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.227 -14.240 -1.183 1.00 0.00 H new ATOM 0 HG SER A 65 5.508 -13.990 -1.516 1.00 0.00 H new ATOM 944 N HIS A 66 3.472 -10.368 -0.144 1.00 0.00 N ATOM 945 CA HIS A 66 4.060 -9.074 0.187 1.00 0.00 C ATOM 946 C HIS A 66 5.519 -9.011 -0.253 1.00 0.00 C ATOM 947 O HIS A 66 5.955 -8.028 -0.854 1.00 0.00 O ATOM 948 CB HIS A 66 3.957 -8.814 1.690 1.00 0.00 C ATOM 949 CG HIS A 66 4.880 -7.739 2.177 1.00 0.00 C ATOM 950 ND1 HIS A 66 6.103 -8.003 2.755 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.753 -6.392 2.166 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.688 -6.864 3.081 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.889 -5.871 2.734 1.00 0.00 N ATOM 0 H HIS A 66 3.123 -10.891 0.659 1.00 0.00 H new ATOM 0 HA HIS A 66 3.505 -8.303 -0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.931 -8.538 1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.174 -9.738 2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.914 -5.831 1.782 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.655 -6.762 3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.084 -4.879 2.867 1.00 0.00 H new ATOM 962 N LEU A 67 6.269 -10.065 0.050 1.00 0.00 N ATOM 963 CA LEU A 67 7.680 -10.129 -0.314 1.00 0.00 C ATOM 964 C LEU A 67 7.879 -9.790 -1.788 1.00 0.00 C ATOM 965 O LEU A 67 8.792 -9.048 -2.146 1.00 0.00 O ATOM 966 CB LEU A 67 8.240 -11.522 -0.020 1.00 0.00 C ATOM 967 CG LEU A 67 8.026 -12.045 1.401 1.00 0.00 C ATOM 968 CD1 LEU A 67 7.937 -13.563 1.404 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.146 -11.573 2.318 1.00 0.00 C ATOM 0 H LEU A 67 5.924 -10.886 0.547 1.00 0.00 H new ATOM 0 HA LEU A 67 8.217 -9.394 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.789 -12.228 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.311 -11.512 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 67 7.084 -11.646 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.785 -13.917 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.100 -13.880 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.862 -13.982 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.977 -11.955 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.101 -11.942 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.163 -10.483 2.341 1.00 0.00 H new ATOM 981 N GLU A 68 7.015 -10.338 -2.637 1.00 0.00 N ATOM 982 CA GLU A 68 7.095 -10.092 -4.072 1.00 0.00 C ATOM 983 C GLU A 68 6.748 -8.642 -4.396 1.00 0.00 C ATOM 984 O GLU A 68 7.325 -8.041 -5.302 1.00 0.00 O ATOM 985 CB GLU A 68 6.155 -11.034 -4.827 1.00 0.00 C ATOM 986 CG GLU A 68 6.664 -12.462 -4.914 1.00 0.00 C ATOM 987 CD GLU A 68 7.786 -12.621 -5.922 1.00 0.00 C ATOM 988 OE1 GLU A 68 8.248 -11.595 -6.463 1.00 0.00 O ATOM 989 OE2 GLU A 68 8.202 -13.772 -6.169 1.00 0.00 O ATOM 0 H GLU A 68 6.252 -10.955 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 68 8.120 -10.282 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.182 -11.034 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.003 -10.650 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.015 -12.779 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.840 -13.122 -5.186 1.00 0.00 H new ATOM 996 N VAL A 69 5.800 -8.085 -3.648 1.00 0.00 N ATOM 997 CA VAL A 69 5.375 -6.706 -3.854 1.00 0.00 C ATOM 998 C VAL A 69 6.518 -5.733 -3.586 1.00 0.00 C ATOM 999 O VAL A 69 6.684 -4.742 -4.298 1.00 0.00 O ATOM 1000 CB VAL A 69 4.185 -6.344 -2.947 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.813 -4.878 -3.113 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.994 -7.242 -3.247 1.00 0.00 C ATOM 0 H VAL A 69 5.312 -8.568 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 69 5.067 -6.622 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 69 4.480 -6.504 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.970 -4.641 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.665 -4.254 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.537 -4.688 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.162 -6.972 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.697 -7.116 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.269 -8.282 -3.071 1.00 0.00 H new ATOM 1012 N VAL A 70 7.305 -6.023 -2.555 1.00 0.00 N ATOM 1013 CA VAL A 70 8.435 -5.175 -2.194 1.00 0.00 C ATOM 1014 C VAL A 70 9.407 -5.027 -3.359 1.00 0.00 C ATOM 1015 O VAL A 70 9.579 -3.937 -3.905 1.00 0.00 O ATOM 1016 CB VAL A 70 9.192 -5.737 -0.976 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.400 -4.872 -0.652 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.264 -5.844 0.225 1.00 0.00 C ATOM 0 H VAL A 70 7.181 -6.839 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 70 8.027 -4.197 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 70 9.548 -6.738 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.922 -5.285 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.074 -4.853 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.071 -3.858 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.815 -6.243 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.876 -4.856 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.435 -6.510 -0.014 1.00 0.00 H new ATOM 1028 N LYS A 71 10.041 -6.132 -3.737 1.00 0.00 N ATOM 1029 CA LYS A 71 10.995 -6.128 -4.839 1.00 0.00 C ATOM 1030 C LYS A 71 10.523 -5.214 -5.964 1.00 0.00 C ATOM 1031 O LYS A 71 11.293 -4.408 -6.488 1.00 0.00 O ATOM 1032 CB LYS A 71 11.195 -7.549 -5.372 1.00 0.00 C ATOM 1033 CG LYS A 71 11.904 -8.471 -4.395 1.00 0.00 C ATOM 1034 CD LYS A 71 12.488 -9.685 -5.098 1.00 0.00 C ATOM 1035 CE LYS A 71 13.901 -9.417 -5.592 1.00 0.00 C ATOM 1036 NZ LYS A 71 14.912 -9.614 -4.516 1.00 0.00 N ATOM 0 H LYS A 71 9.911 -7.042 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 71 11.946 -5.750 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.223 -7.975 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.769 -7.503 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.700 -7.924 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.203 -8.797 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.495 -10.534 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.853 -9.959 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.126 -10.080 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.966 -8.396 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.862 -9.422 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.713 -8.963 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.868 -10.595 -4.173 1.00 0.00 H new ATOM 1050 N LEU A 72 9.252 -5.341 -6.331 1.00 0.00 N ATOM 1051 CA LEU A 72 8.676 -4.525 -7.393 1.00 0.00 C ATOM 1052 C LEU A 72 8.669 -3.050 -7.003 1.00 0.00 C ATOM 1053 O LEU A 72 8.995 -2.182 -7.814 1.00 0.00 O ATOM 1054 CB LEU A 72 7.252 -4.989 -7.705 1.00 0.00 C ATOM 1055 CG LEU A 72 7.077 -6.484 -7.971 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.635 -6.903 -7.732 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.506 -6.828 -9.390 1.00 0.00 C ATOM 0 H LEU A 72 8.601 -6.002 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 72 9.293 -4.643 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.609 -4.711 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.895 -4.441 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 72 7.714 -7.034 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.529 -7.970 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.362 -6.694 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.979 -6.346 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.374 -7.896 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.896 -6.269 -10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.555 -6.565 -9.527 1.00 0.00 H new ATOM 1069 N ILE A 73 8.297 -2.775 -5.758 1.00 0.00 N ATOM 1070 CA ILE A 73 8.250 -1.405 -5.260 1.00 0.00 C ATOM 1071 C ILE A 73 9.636 -0.768 -5.275 1.00 0.00 C ATOM 1072 O ILE A 73 9.885 0.185 -6.013 1.00 0.00 O ATOM 1073 CB ILE A 73 7.685 -1.346 -3.829 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.188 -1.658 -3.835 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.944 0.022 -3.214 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.663 -2.130 -2.497 1.00 0.00 C ATOM 0 H ILE A 73 8.024 -3.482 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 73 7.590 -0.849 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 73 8.191 -2.098 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.640 -0.765 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.988 -2.423 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.539 0.049 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.017 0.208 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.461 0.790 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.595 -2.332 -2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.184 -3.041 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.831 -1.357 -1.747 1.00 0.00 H new ATOM 1088 N LYS A 74 10.535 -1.302 -4.455 1.00 0.00 N ATOM 1089 CA LYS A 74 11.897 -0.788 -4.375 1.00 0.00 C ATOM 1090 C LYS A 74 12.448 -0.486 -5.765 1.00 0.00 C ATOM 1091 O LYS A 74 12.598 0.675 -6.145 1.00 0.00 O ATOM 1092 CB LYS A 74 12.803 -1.796 -3.664 1.00 0.00 C ATOM 1093 CG LYS A 74 12.566 -1.876 -2.166 1.00 0.00 C ATOM 1094 CD LYS A 74 13.745 -2.513 -1.448 1.00 0.00 C ATOM 1095 CE LYS A 74 14.849 -1.500 -1.185 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.691 -1.271 -2.392 1.00 0.00 N ATOM 0 H LYS A 74 10.345 -2.090 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 74 11.875 0.140 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.648 -2.782 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.844 -1.527 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.395 -0.875 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.663 -2.455 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.409 -2.941 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.138 -3.334 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.407 -0.556 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.476 -1.851 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.669 -1.073 -2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.674 -2.119 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.318 -0.460 -2.926 1.00 0.00 H new ATOM 1110 N SER A 75 12.746 -1.538 -6.520 1.00 0.00 N ATOM 1111 CA SER A 75 13.282 -1.385 -7.868 1.00 0.00 C ATOM 1112 C SER A 75 12.467 -0.371 -8.664 1.00 0.00 C ATOM 1113 O SER A 75 11.344 -0.651 -9.082 1.00 0.00 O ATOM 1114 CB SER A 75 13.290 -2.732 -8.593 1.00 0.00 C ATOM 1115 OG SER A 75 14.325 -2.785 -9.559 1.00 0.00 O ATOM 0 H SER A 75 12.626 -2.506 -6.222 1.00 0.00 H new ATOM 0 HA SER A 75 14.305 -1.019 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.422 -3.537 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.327 -2.893 -9.078 1.00 0.00 H new ATOM 0 HG SER A 75 14.310 -3.656 -10.007 1.00 0.00 H new ATOM 1121 N GLY A 76 13.042 0.810 -8.871 1.00 0.00 N ATOM 1122 CA GLY A 76 12.356 1.849 -9.617 1.00 0.00 C ATOM 1123 C GLY A 76 12.165 3.115 -8.805 1.00 0.00 C ATOM 1124 O GLY A 76 11.633 3.075 -7.696 1.00 0.00 O ATOM 0 H GLY A 76 13.971 1.066 -8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.924 2.081 -10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.383 1.478 -9.940 1.00 0.00 H new ATOM 1128 N ALA A 77 12.601 4.242 -9.359 1.00 0.00 N ATOM 1129 CA ALA A 77 12.475 5.525 -8.679 1.00 0.00 C ATOM 1130 C ALA A 77 11.120 5.651 -7.991 1.00 0.00 C ATOM 1131 O ALA A 77 11.040 6.020 -6.819 1.00 0.00 O ATOM 1132 CB ALA A 77 12.676 6.667 -9.665 1.00 0.00 C ATOM 0 H ALA A 77 13.044 4.292 -10.276 1.00 0.00 H new ATOM 0 HA ALA A 77 13.249 5.580 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.579 7.619 -9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.670 6.595 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.923 6.606 -10.451 1.00 0.00 H new ATOM 1138 N TYR A 78 10.057 5.342 -8.726 1.00 0.00 N ATOM 1139 CA TYR A 78 8.705 5.424 -8.187 1.00 0.00 C ATOM 1140 C TYR A 78 7.895 4.186 -8.558 1.00 0.00 C ATOM 1141 O TYR A 78 8.369 3.315 -9.287 1.00 0.00 O ATOM 1142 CB TYR A 78 8.003 6.681 -8.703 1.00 0.00 C ATOM 1143 CG TYR A 78 8.274 6.970 -10.163 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.592 6.289 -11.164 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.212 7.922 -10.540 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.837 6.549 -12.499 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.463 8.189 -11.872 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.773 7.500 -12.848 1.00 0.00 C ATOM 1149 OH TYR A 78 9.020 7.762 -14.175 1.00 0.00 O ATOM 0 H TYR A 78 10.106 5.032 -9.697 1.00 0.00 H new ATOM 0 HA TYR A 78 8.777 5.477 -7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.928 6.573 -8.556 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.322 7.536 -8.107 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.858 5.544 -10.894 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.755 8.463 -9.779 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.299 6.010 -13.265 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.195 8.933 -12.148 1.00 0.00 H new ATOM 0 HH TYR A 78 9.706 8.458 -14.249 1.00 0.00 H new ATOM 1159 N VAL A 79 6.668 4.116 -8.051 1.00 0.00 N ATOM 1160 CA VAL A 79 5.789 2.986 -8.330 1.00 0.00 C ATOM 1161 C VAL A 79 4.328 3.421 -8.358 1.00 0.00 C ATOM 1162 O VAL A 79 3.827 4.013 -7.402 1.00 0.00 O ATOM 1163 CB VAL A 79 5.961 1.870 -7.283 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.610 2.381 -5.894 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.109 0.663 -7.647 1.00 0.00 C ATOM 0 H VAL A 79 6.260 4.828 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 79 6.069 2.601 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 79 7.006 1.560 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.738 1.578 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.266 3.212 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.574 2.720 -5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.243 -0.116 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.060 0.956 -7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.414 0.283 -8.622 1.00 0.00 H new ATOM 1175 N ALA A 80 3.648 3.121 -9.460 1.00 0.00 N ATOM 1176 CA ALA A 80 2.243 3.478 -9.612 1.00 0.00 C ATOM 1177 C ALA A 80 1.342 2.477 -8.898 1.00 0.00 C ATOM 1178 O ALA A 80 1.212 1.329 -9.324 1.00 0.00 O ATOM 1179 CB ALA A 80 1.877 3.564 -11.086 1.00 0.00 C ATOM 0 H ALA A 80 4.048 2.631 -10.261 1.00 0.00 H new ATOM 0 HA ALA A 80 2.090 4.455 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.825 3.831 -11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.491 4.323 -11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.052 2.599 -11.561 1.00 0.00 H new ATOM 1185 N LEU A 81 0.722 2.918 -7.809 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.168 2.060 -7.035 1.00 0.00 C ATOM 1187 C LEU A 81 -1.627 2.436 -7.268 1.00 0.00 C ATOM 1188 O LEU A 81 -1.964 3.614 -7.392 1.00 0.00 O ATOM 1189 CB LEU A 81 0.164 2.160 -5.545 1.00 0.00 C ATOM 1190 CG LEU A 81 1.638 1.989 -5.173 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.912 2.573 -3.796 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.033 0.520 -5.220 1.00 0.00 C ATOM 0 H LEU A 81 0.819 3.865 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.020 1.032 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.171 3.132 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.414 1.405 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 81 2.242 2.530 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.965 2.442 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.669 3.635 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.299 2.061 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.085 0.417 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.422 -0.044 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.875 0.133 -6.227 1.00 0.00 H new ATOM 1204 N THR A 82 -2.492 1.428 -7.325 1.00 0.00 N ATOM 1205 CA THR A 82 -3.915 1.652 -7.543 1.00 0.00 C ATOM 1206 C THR A 82 -4.723 1.301 -6.299 1.00 0.00 C ATOM 1207 O THR A 82 -5.038 0.135 -6.059 1.00 0.00 O ATOM 1208 CB THR A 82 -4.439 0.825 -8.732 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.658 1.098 -9.900 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.902 1.141 -9.008 1.00 0.00 C ATOM 0 H THR A 82 -2.231 0.447 -7.223 1.00 0.00 H new ATOM 0 HA THR A 82 -4.037 2.712 -7.766 1.00 0.00 H new ATOM 0 HB THR A 82 -4.354 -0.231 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.996 0.567 -10.651 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.250 0.545 -9.852 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.498 0.905 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.007 2.200 -9.244 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.057 2.317 -5.510 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.830 2.115 -4.289 1.00 0.00 C ATOM 1220 C LEU A 83 -7.324 2.066 -4.593 1.00 0.00 C ATOM 1221 O LEU A 83 -7.826 2.832 -5.417 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.538 3.233 -3.287 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.071 3.641 -3.144 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.938 4.842 -2.221 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.242 2.474 -2.627 1.00 0.00 C ATOM 0 H LEU A 83 -4.805 3.288 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.535 1.160 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.112 4.113 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.905 2.922 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.694 3.922 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.887 5.118 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.499 5.681 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.332 4.590 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.201 2.782 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.620 2.163 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.311 1.641 -3.326 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.030 1.164 -3.921 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.468 1.016 -4.117 1.00 0.00 C ATOM 1239 C LEU A 84 -10.219 1.209 -2.803 1.00 0.00 C ATOM 1240 O LEU A 84 -9.921 0.555 -1.804 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.784 -0.362 -4.701 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.110 -0.485 -5.451 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.120 -1.734 -6.319 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.276 -0.504 -4.474 1.00 0.00 C ATOM 0 H LEU A 84 -7.630 0.524 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.796 1.784 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.978 -0.640 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.781 -1.088 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.219 0.384 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.072 -1.804 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.308 -1.680 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.987 -2.615 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.212 -0.592 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.171 -1.354 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.281 0.420 -3.896 1.00 0.00 H new