USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 631 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 Single : A 11 GLN : amide:sc= -0.96 K(o=-0.96,f=-0.15) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= -0.0738 (180deg=-0.185) USER MOD Single : A 17 ASN : amide:sc= -4.08 K(o=-4.1,f=-6.4!) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= 0.0292 (180deg=0.0156) USER MOD Single : A 20 TYR OH : rot 0:sc= -3.52! USER MOD Single : A 27 ASN : amide:sc= -0.466 K(o=-0.47,f=-3.1!) USER MOD Single : A 34 TYR OH : rot -14:sc= -0.139 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 28:sc= -0.429 USER MOD Single : A 47 THR OG1 : rot -96:sc= 1.26 USER MOD Single : A 57 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.37) USER MOD Single : A 59 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -15:sc= 0.979 USER MOD Single : A 64 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.063) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 78 MET CE :methyl 142:sc= -2.96! (180deg=-4.69!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.881 7.911 -5.007 1.00 0.00 N ATOM 67 CA LEU A 8 0.856 7.286 -4.189 1.00 0.00 C ATOM 68 C LEU A 8 0.774 5.797 -4.531 1.00 0.00 C ATOM 69 O LEU A 8 0.854 4.947 -3.646 1.00 0.00 O ATOM 70 CB LEU A 8 -0.474 8.026 -4.339 1.00 0.00 C ATOM 71 CG LEU A 8 -0.847 8.974 -3.197 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.533 10.232 -3.732 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.699 8.259 -2.146 1.00 0.00 C ATOM 0 HA LEU A 8 1.116 7.357 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.446 8.599 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.268 7.287 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 8 0.071 9.293 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.788 10.889 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.859 10.753 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.442 9.952 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.950 8.955 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.615 7.892 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.139 7.419 -1.734 1.00 0.00 H new ATOM 85 N ARG A 9 0.614 5.527 -5.819 1.00 0.00 N ATOM 86 CA ARG A 9 0.520 4.155 -6.290 1.00 0.00 C ATOM 87 C ARG A 9 1.626 3.303 -5.665 1.00 0.00 C ATOM 88 O ARG A 9 1.346 2.339 -4.955 1.00 0.00 O ATOM 89 CB ARG A 9 0.631 4.087 -7.814 1.00 0.00 C ATOM 90 CG ARG A 9 0.112 2.749 -8.342 1.00 0.00 C ATOM 91 CD ARG A 9 -0.646 2.936 -9.659 1.00 0.00 C ATOM 92 NE ARG A 9 -1.780 3.866 -9.461 1.00 0.00 N ATOM 93 CZ ARG A 9 -2.446 4.461 -10.461 1.00 0.00 C ATOM 94 NH1 ARG A 9 -2.096 4.226 -11.733 1.00 0.00 N ATOM 95 NH2 ARG A 9 -3.463 5.290 -10.188 1.00 0.00 N ATOM 0 H ARG A 9 0.547 6.235 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.454 3.767 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.063 4.903 -8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.671 4.221 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.947 2.065 -8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.545 2.292 -7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.026 3.326 -10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.012 1.974 -10.018 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.073 4.067 -8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.323 3.594 -11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.603 4.679 -12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.730 5.468 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.970 5.743 -10.948 1.00 0.00 H new ATOM 109 N GLU A 10 2.861 3.688 -5.954 1.00 0.00 N ATOM 110 CA GLU A 10 4.011 2.972 -5.430 1.00 0.00 C ATOM 111 C GLU A 10 3.913 2.851 -3.908 1.00 0.00 C ATOM 112 O GLU A 10 4.193 1.793 -3.346 1.00 0.00 O ATOM 113 CB GLU A 10 5.317 3.653 -5.843 1.00 0.00 C ATOM 114 CG GLU A 10 5.979 2.911 -7.005 1.00 0.00 C ATOM 115 CD GLU A 10 7.122 2.022 -6.508 1.00 0.00 C ATOM 116 OE1 GLU A 10 6.804 0.963 -5.926 1.00 0.00 O ATOM 117 OE2 GLU A 10 8.286 2.422 -6.723 1.00 0.00 O ATOM 0 H GLU A 10 3.090 4.487 -6.545 1.00 0.00 H new ATOM 0 HA GLU A 10 4.013 1.968 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.117 4.685 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.998 3.686 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.238 2.301 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.361 3.630 -7.730 1.00 0.00 H new ATOM 124 N GLN A 11 3.513 3.949 -3.284 1.00 0.00 N ATOM 125 CA GLN A 11 3.374 3.979 -1.838 1.00 0.00 C ATOM 126 C GLN A 11 2.406 2.889 -1.375 1.00 0.00 C ATOM 127 O GLN A 11 2.765 2.042 -0.558 1.00 0.00 O ATOM 128 CB GLN A 11 2.916 5.359 -1.360 1.00 0.00 C ATOM 129 CG GLN A 11 3.903 6.445 -1.792 1.00 0.00 C ATOM 130 CD GLN A 11 3.934 7.592 -0.779 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.800 7.677 0.074 1.00 0.00 O ATOM 132 NE2 GLN A 11 2.941 8.465 -0.923 1.00 0.00 N ATOM 0 H GLN A 11 3.281 4.824 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 11 4.350 3.783 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.928 5.579 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.822 5.359 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.900 6.016 -1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.621 6.829 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.249 8.333 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.872 9.267 -0.296 1.00 0.00 H new ATOM 141 N VAL A 12 1.199 2.945 -1.916 1.00 0.00 N ATOM 142 CA VAL A 12 0.177 1.972 -1.568 1.00 0.00 C ATOM 143 C VAL A 12 0.688 0.565 -1.886 1.00 0.00 C ATOM 144 O VAL A 12 0.450 -0.372 -1.125 1.00 0.00 O ATOM 145 CB VAL A 12 -1.132 2.308 -2.286 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.103 1.127 -2.240 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.772 3.567 -1.698 1.00 0.00 C ATOM 0 H VAL A 12 0.905 3.649 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.035 2.007 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.898 2.508 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.025 1.393 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.650 0.264 -2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.328 0.881 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.701 3.784 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.984 3.407 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.088 4.408 -1.808 1.00 0.00 H new ATOM 157 N LYS A 13 1.382 0.462 -3.010 1.00 0.00 N ATOM 158 CA LYS A 13 1.929 -0.814 -3.437 1.00 0.00 C ATOM 159 C LYS A 13 2.764 -1.412 -2.302 1.00 0.00 C ATOM 160 O LYS A 13 2.504 -2.529 -1.859 1.00 0.00 O ATOM 161 CB LYS A 13 2.700 -0.654 -4.749 1.00 0.00 C ATOM 162 CG LYS A 13 1.760 -0.749 -5.953 1.00 0.00 C ATOM 163 CD LYS A 13 2.542 -1.026 -7.238 1.00 0.00 C ATOM 164 CE LYS A 13 2.636 0.231 -8.105 1.00 0.00 C ATOM 165 NZ LYS A 13 3.976 0.334 -8.724 1.00 0.00 N ATOM 0 H LYS A 13 1.578 1.242 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 13 1.127 -1.521 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.213 0.308 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.467 -1.425 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.031 -1.543 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.201 0.181 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.544 -1.376 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.055 -1.824 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.871 0.203 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.441 1.115 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.070 1.255 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.706 0.246 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.095 -0.427 -9.422 1.00 0.00 H new ATOM 179 N GLU A 14 3.748 -0.640 -1.866 1.00 0.00 N ATOM 180 CA GLU A 14 4.622 -1.081 -0.791 1.00 0.00 C ATOM 181 C GLU A 14 3.809 -1.356 0.476 1.00 0.00 C ATOM 182 O GLU A 14 4.147 -2.246 1.254 1.00 0.00 O ATOM 183 CB GLU A 14 5.722 -0.051 -0.524 1.00 0.00 C ATOM 184 CG GLU A 14 6.990 -0.386 -1.312 1.00 0.00 C ATOM 185 CD GLU A 14 8.155 -0.696 -0.370 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.628 0.260 0.282 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.548 -1.882 -0.323 1.00 0.00 O ATOM 0 H GLU A 14 3.960 0.287 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 14 5.104 -2.009 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.370 0.943 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.949 -0.024 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.804 -1.242 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.253 0.452 -1.958 1.00 0.00 H new ATOM 194 N LEU A 15 2.752 -0.574 0.644 1.00 0.00 N ATOM 195 CA LEU A 15 1.888 -0.721 1.803 1.00 0.00 C ATOM 196 C LEU A 15 1.313 -2.139 1.826 1.00 0.00 C ATOM 197 O LEU A 15 1.678 -2.948 2.678 1.00 0.00 O ATOM 198 CB LEU A 15 0.823 0.376 1.820 1.00 0.00 C ATOM 199 CG LEU A 15 -0.491 0.025 2.523 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.307 -0.014 4.040 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.608 0.981 2.104 1.00 0.00 C ATOM 0 H LEU A 15 2.475 0.164 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 15 2.458 -0.592 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.246 1.258 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.598 0.653 0.790 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.790 -0.975 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.255 -0.266 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.438 -0.767 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.027 0.962 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.531 0.710 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.332 2.002 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.759 0.914 1.027 1.00 0.00 H new ATOM 213 N PHE A 16 0.421 -2.396 0.881 1.00 0.00 N ATOM 214 CA PHE A 16 -0.209 -3.702 0.781 1.00 0.00 C ATOM 215 C PHE A 16 0.835 -4.819 0.822 1.00 0.00 C ATOM 216 O PHE A 16 0.606 -5.866 1.427 1.00 0.00 O ATOM 217 CB PHE A 16 -0.936 -3.747 -0.565 1.00 0.00 C ATOM 218 CG PHE A 16 -2.307 -3.070 -0.554 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.214 -3.384 0.410 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.621 -2.154 -1.510 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.487 -2.756 0.419 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.894 -1.526 -1.501 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.800 -1.840 -0.537 1.00 0.00 C ATOM 0 H PHE A 16 0.119 -1.722 0.177 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.893 -3.850 1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.312 -3.268 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.058 -4.788 -0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.965 -4.111 1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.901 -1.905 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.207 -3.005 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.143 -0.799 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.768 -1.362 -0.530 1.00 0.00 H new ATOM 233 N ASN A 17 1.959 -4.559 0.171 1.00 0.00 N ATOM 234 CA ASN A 17 3.039 -5.531 0.126 1.00 0.00 C ATOM 235 C ASN A 17 3.646 -5.679 1.522 1.00 0.00 C ATOM 236 O ASN A 17 3.941 -6.790 1.960 1.00 0.00 O ATOM 237 CB ASN A 17 4.148 -5.076 -0.826 1.00 0.00 C ATOM 238 CG ASN A 17 3.634 -4.987 -2.264 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.451 -4.835 -2.520 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.587 -5.088 -3.186 1.00 0.00 N ATOM 0 H ASN A 17 2.146 -3.690 -0.329 1.00 0.00 H new ATOM 0 HA ASN A 17 2.627 -6.477 -0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.527 -4.104 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.983 -5.775 -0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.346 -5.039 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.559 -5.214 -2.903 1.00 0.00 H new ATOM 247 N GLU A 18 3.813 -4.543 2.183 1.00 0.00 N ATOM 248 CA GLU A 18 4.379 -4.532 3.521 1.00 0.00 C ATOM 249 C GLU A 18 3.518 -5.370 4.468 1.00 0.00 C ATOM 250 O GLU A 18 4.039 -6.183 5.231 1.00 0.00 O ATOM 251 CB GLU A 18 4.531 -3.101 4.041 1.00 0.00 C ATOM 252 CG GLU A 18 5.686 -2.383 3.339 1.00 0.00 C ATOM 253 CD GLU A 18 6.919 -2.313 4.244 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.264 -3.370 4.814 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.488 -1.204 4.343 1.00 0.00 O ATOM 0 H GLU A 18 3.566 -3.624 1.817 1.00 0.00 H new ATOM 0 HA GLU A 18 5.374 -4.975 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.604 -2.551 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.708 -3.118 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.937 -2.906 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.377 -1.375 3.060 1.00 0.00 H new ATOM 262 N LYS A 19 2.215 -5.143 4.390 1.00 0.00 N ATOM 263 CA LYS A 19 1.277 -5.867 5.230 1.00 0.00 C ATOM 264 C LYS A 19 1.457 -7.371 5.010 1.00 0.00 C ATOM 265 O LYS A 19 1.685 -8.118 5.960 1.00 0.00 O ATOM 266 CB LYS A 19 -0.152 -5.377 4.984 1.00 0.00 C ATOM 267 CG LYS A 19 -0.307 -3.911 5.396 1.00 0.00 C ATOM 268 CD LYS A 19 -0.351 -3.772 6.919 1.00 0.00 C ATOM 269 CE LYS A 19 0.075 -2.367 7.353 1.00 0.00 C ATOM 270 NZ LYS A 19 0.245 -2.309 8.823 1.00 0.00 N ATOM 0 H LYS A 19 1.787 -4.467 3.757 1.00 0.00 H new ATOM 0 HA LYS A 19 1.480 -5.671 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.403 -5.491 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.854 -5.993 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.523 -3.328 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.220 -3.502 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.360 -3.977 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.306 -4.512 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.009 -2.096 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.674 -1.640 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.739 -1.431 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.688 -2.328 9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.803 -3.127 9.140 1.00 0.00 H new ATOM 284 N TYR A 20 1.349 -7.769 3.751 1.00 0.00 N ATOM 285 CA TYR A 20 1.498 -9.170 3.394 1.00 0.00 C ATOM 286 C TYR A 20 2.719 -9.785 4.081 1.00 0.00 C ATOM 287 O TYR A 20 2.611 -10.815 4.743 1.00 0.00 O ATOM 288 CB TYR A 20 1.711 -9.199 1.880 1.00 0.00 C ATOM 289 CG TYR A 20 1.212 -10.479 1.205 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.092 -10.891 1.385 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.067 -11.222 0.416 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.562 -12.094 0.751 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.598 -12.426 -0.218 1.00 0.00 C ATOM 294 CZ TYR A 20 0.306 -12.804 -0.019 1.00 0.00 C ATOM 295 OH TYR A 20 -0.137 -13.941 -0.619 1.00 0.00 O ATOM 0 H TYR A 20 1.160 -7.146 2.966 1.00 0.00 H new ATOM 0 HA TYR A 20 0.622 -9.740 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.202 -8.344 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.774 -9.081 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.761 -10.310 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.088 -10.900 0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.581 -12.426 0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.257 -13.016 -0.838 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.078 -14.087 -0.389 1.00 0.00 H new ATOM 305 N GLY A 21 3.854 -9.126 3.899 1.00 0.00 N ATOM 306 CA GLY A 21 5.095 -9.594 4.493 1.00 0.00 C ATOM 307 C GLY A 21 4.932 -9.819 5.997 1.00 0.00 C ATOM 308 O GLY A 21 5.152 -10.925 6.491 1.00 0.00 O ATOM 0 H GLY A 21 3.940 -8.272 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.404 -10.523 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.885 -8.865 4.314 1.00 0.00 H new ATOM 312 N GLU A 22 4.548 -8.753 6.684 1.00 0.00 N ATOM 313 CA GLU A 22 4.353 -8.822 8.122 1.00 0.00 C ATOM 314 C GLU A 22 3.372 -9.942 8.473 1.00 0.00 C ATOM 315 O GLU A 22 3.622 -10.727 9.387 1.00 0.00 O ATOM 316 CB GLU A 22 3.870 -7.478 8.674 1.00 0.00 C ATOM 317 CG GLU A 22 4.818 -6.347 8.271 1.00 0.00 C ATOM 318 CD GLU A 22 5.148 -5.455 9.469 1.00 0.00 C ATOM 319 OE1 GLU A 22 4.324 -4.557 9.752 1.00 0.00 O ATOM 320 OE2 GLU A 22 6.216 -5.689 10.074 1.00 0.00 O ATOM 0 H GLU A 22 4.367 -7.838 6.272 1.00 0.00 H new ATOM 0 HA GLU A 22 5.312 -9.047 8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.868 -7.267 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.802 -7.530 9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.737 -6.767 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.362 -5.749 7.482 1.00 0.00 H new ATOM 327 N ALA A 23 2.277 -9.982 7.729 1.00 0.00 N ATOM 328 CA ALA A 23 1.258 -10.994 7.950 1.00 0.00 C ATOM 329 C ALA A 23 1.864 -12.379 7.722 1.00 0.00 C ATOM 330 O ALA A 23 1.511 -13.336 8.412 1.00 0.00 O ATOM 331 CB ALA A 23 0.062 -10.723 7.034 1.00 0.00 C ATOM 0 H ALA A 23 2.073 -9.330 6.972 1.00 0.00 H new ATOM 0 HA ALA A 23 0.897 -10.957 8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.703 -11.482 7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.350 -9.739 7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.386 -10.755 5.994 1.00 0.00 H new ATOM 337 N LEU A 24 2.766 -12.444 6.754 1.00 0.00 N ATOM 338 CA LEU A 24 3.424 -13.698 6.427 1.00 0.00 C ATOM 339 C LEU A 24 4.404 -14.060 7.544 1.00 0.00 C ATOM 340 O LEU A 24 4.962 -15.157 7.554 1.00 0.00 O ATOM 341 CB LEU A 24 4.071 -13.619 5.043 1.00 0.00 C ATOM 342 CG LEU A 24 3.117 -13.709 3.850 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.623 -12.868 2.677 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.878 -15.166 3.449 1.00 0.00 C ATOM 0 H LEU A 24 3.057 -11.649 6.185 1.00 0.00 H new ATOM 0 HA LEU A 24 2.695 -14.506 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.620 -12.680 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.802 -14.423 4.959 1.00 0.00 H new ATOM 0 HG LEU A 24 2.155 -13.295 4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.926 -12.950 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.700 -11.825 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.604 -13.229 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.197 -15.202 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.826 -15.628 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.441 -15.707 4.288 1.00 0.00 H new ATOM 356 N GLY A 25 4.582 -13.120 8.459 1.00 0.00 N ATOM 357 CA GLY A 25 5.486 -13.326 9.579 1.00 0.00 C ATOM 358 C GLY A 25 6.944 -13.163 9.144 1.00 0.00 C ATOM 359 O GLY A 25 7.847 -13.712 9.772 1.00 0.00 O ATOM 0 H GLY A 25 4.116 -12.213 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.257 -12.613 10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.336 -14.323 9.994 1.00 0.00 H new ATOM 363 N LEU A 26 7.128 -12.406 8.072 1.00 0.00 N ATOM 364 CA LEU A 26 8.460 -12.165 7.547 1.00 0.00 C ATOM 365 C LEU A 26 8.935 -10.780 7.991 1.00 0.00 C ATOM 366 O LEU A 26 8.278 -10.123 8.796 1.00 0.00 O ATOM 367 CB LEU A 26 8.482 -12.365 6.030 1.00 0.00 C ATOM 368 CG LEU A 26 7.707 -13.573 5.502 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.857 -13.700 3.985 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.123 -14.853 6.229 1.00 0.00 C ATOM 0 H LEU A 26 6.376 -11.952 7.553 1.00 0.00 H new ATOM 0 HA LEU A 26 9.166 -12.890 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.081 -11.467 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.520 -12.456 5.710 1.00 0.00 H new ATOM 0 HG LEU A 26 6.648 -13.416 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.296 -14.567 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.472 -12.801 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.910 -13.823 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.557 -15.696 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.188 -15.028 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.921 -14.748 7.295 1.00 0.00 H new ATOM 382 N ASN A 27 10.074 -10.377 7.446 1.00 0.00 N ATOM 383 CA ASN A 27 10.645 -9.082 7.777 1.00 0.00 C ATOM 384 C ASN A 27 10.857 -8.280 6.490 1.00 0.00 C ATOM 385 O ASN A 27 11.641 -7.333 6.468 1.00 0.00 O ATOM 386 CB ASN A 27 12.002 -9.239 8.466 1.00 0.00 C ATOM 387 CG ASN A 27 11.960 -8.681 9.891 1.00 0.00 C ATOM 388 OD1 ASN A 27 10.972 -8.122 10.338 1.00 0.00 O ATOM 389 ND2 ASN A 27 13.085 -8.864 10.576 1.00 0.00 N ATOM 0 H ASN A 27 10.617 -10.924 6.778 1.00 0.00 H new ATOM 0 HA ASN A 27 9.956 -8.571 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.281 -10.292 8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.769 -8.720 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.158 -8.528 11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.875 -9.340 10.141 1.00 0.00 H new ATOM 396 N ARG A 28 10.146 -8.690 5.451 1.00 0.00 N ATOM 397 CA ARG A 28 10.247 -8.023 4.165 1.00 0.00 C ATOM 398 C ARG A 28 8.874 -7.958 3.491 1.00 0.00 C ATOM 399 O ARG A 28 8.025 -8.816 3.722 1.00 0.00 O ATOM 400 CB ARG A 28 11.226 -8.749 3.241 1.00 0.00 C ATOM 401 CG ARG A 28 10.951 -10.253 3.225 1.00 0.00 C ATOM 402 CD ARG A 28 10.735 -10.755 1.796 1.00 0.00 C ATOM 403 NE ARG A 28 10.365 -12.188 1.813 1.00 0.00 N ATOM 404 CZ ARG A 28 11.209 -13.179 2.133 1.00 0.00 C ATOM 405 NH1 ARG A 28 12.477 -12.897 2.465 1.00 0.00 N ATOM 406 NH2 ARG A 28 10.786 -14.450 2.122 1.00 0.00 N ATOM 0 H ARG A 28 9.497 -9.477 5.474 1.00 0.00 H new ATOM 0 HA ARG A 28 10.617 -7.013 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.142 -8.350 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.248 -8.566 3.572 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.788 -10.784 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.070 -10.472 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.950 -10.174 1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.643 -10.612 1.211 1.00 0.00 H new ATOM 0 HE ARG A 28 9.407 -12.437 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.799 -11.929 2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.120 -13.650 2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.821 -14.664 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.429 -15.204 2.366 1.00 0.00 H new ATOM 420 N PRO A 29 8.696 -6.905 2.650 1.00 0.00 N ATOM 421 CA PRO A 29 7.442 -6.716 1.940 1.00 0.00 C ATOM 422 C PRO A 29 7.313 -7.708 0.782 1.00 0.00 C ATOM 423 O PRO A 29 8.249 -7.885 0.005 1.00 0.00 O ATOM 424 CB PRO A 29 7.462 -5.268 1.482 1.00 0.00 C ATOM 425 CG PRO A 29 8.917 -4.831 1.544 1.00 0.00 C ATOM 426 CD PRO A 29 9.680 -5.868 2.351 1.00 0.00 C ATOM 0 HA PRO A 29 6.571 -6.909 2.567 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.069 -5.173 0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.840 -4.646 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.333 -4.746 0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.001 -3.848 2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.520 -6.271 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.089 -5.436 3.264 1.00 0.00 H new ATOM 434 N VAL A 30 6.144 -8.329 0.704 1.00 0.00 N ATOM 435 CA VAL A 30 5.880 -9.298 -0.345 1.00 0.00 C ATOM 436 C VAL A 30 4.629 -8.878 -1.118 1.00 0.00 C ATOM 437 O VAL A 30 3.664 -8.395 -0.528 1.00 0.00 O ATOM 438 CB VAL A 30 5.770 -10.702 0.254 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.276 -11.706 -0.789 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.104 -11.148 0.855 1.00 0.00 C ATOM 0 H VAL A 30 5.370 -8.179 1.351 1.00 0.00 H new ATOM 0 HA VAL A 30 6.707 -9.327 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 30 5.036 -10.666 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.207 -12.696 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.293 -11.402 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.975 -11.737 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.998 -12.149 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.868 -11.159 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.398 -10.454 1.643 1.00 0.00 H new ATOM 450 N LEU A 31 4.686 -9.078 -2.427 1.00 0.00 N ATOM 451 CA LEU A 31 3.569 -8.726 -3.287 1.00 0.00 C ATOM 452 C LEU A 31 2.340 -9.541 -2.879 1.00 0.00 C ATOM 453 O LEU A 31 2.464 -10.692 -2.464 1.00 0.00 O ATOM 454 CB LEU A 31 3.953 -8.890 -4.759 1.00 0.00 C ATOM 455 CG LEU A 31 4.615 -7.677 -5.417 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.412 -8.093 -6.655 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.582 -6.596 -5.737 1.00 0.00 C ATOM 0 H LEU A 31 5.488 -9.479 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 31 3.311 -7.674 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.630 -9.740 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.054 -9.140 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 31 5.322 -7.246 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.872 -7.213 -7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.188 -8.802 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.744 -8.561 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.078 -5.745 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.834 -6.999 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.097 -6.272 -4.816 1.00 0.00 H new ATOM 469 N VAL A 32 1.182 -8.911 -3.010 1.00 0.00 N ATOM 470 CA VAL A 32 -0.068 -9.563 -2.660 1.00 0.00 C ATOM 471 C VAL A 32 -0.667 -10.214 -3.909 1.00 0.00 C ATOM 472 O VAL A 32 -0.951 -9.532 -4.892 1.00 0.00 O ATOM 473 CB VAL A 32 -1.014 -8.559 -1.997 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.396 -9.176 -1.769 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.426 -8.034 -0.687 1.00 0.00 C ATOM 0 H VAL A 32 1.083 -7.956 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 32 0.106 -10.356 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.132 -7.713 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.049 -8.442 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.822 -9.478 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.303 -10.048 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.118 -7.323 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.264 -8.866 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.524 -7.539 -0.887 1.00 0.00 H new ATOM 485 N PRO A 33 -0.845 -11.560 -3.827 1.00 0.00 N ATOM 486 CA PRO A 33 -1.403 -12.311 -4.938 1.00 0.00 C ATOM 487 C PRO A 33 -2.913 -12.082 -5.049 1.00 0.00 C ATOM 488 O PRO A 33 -3.696 -13.022 -4.923 1.00 0.00 O ATOM 489 CB PRO A 33 -1.040 -13.759 -4.657 1.00 0.00 C ATOM 490 CG PRO A 33 -0.699 -13.823 -3.177 1.00 0.00 C ATOM 491 CD PRO A 33 -0.519 -12.400 -2.678 1.00 0.00 C ATOM 0 HA PRO A 33 -1.004 -11.996 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.871 -14.423 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.194 -14.075 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.493 -14.324 -2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.212 -14.401 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.177 -12.190 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.502 -12.226 -2.337 1.00 0.00 H new ATOM 499 N TYR A 34 -3.275 -10.830 -5.285 1.00 0.00 N ATOM 500 CA TYR A 34 -4.675 -10.468 -5.414 1.00 0.00 C ATOM 501 C TYR A 34 -5.418 -11.460 -6.312 1.00 0.00 C ATOM 502 O TYR A 34 -6.553 -11.835 -6.023 1.00 0.00 O ATOM 503 CB TYR A 34 -4.694 -9.088 -6.076 1.00 0.00 C ATOM 504 CG TYR A 34 -3.881 -8.029 -5.328 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.420 -7.393 -4.229 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.608 -7.710 -5.755 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.654 -6.396 -3.526 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.842 -6.712 -5.052 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.403 -6.105 -3.973 1.00 0.00 C ATOM 510 OH TYR A 34 -1.679 -5.164 -3.308 1.00 0.00 O ATOM 0 H TYR A 34 -2.622 -10.053 -5.390 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.164 -10.472 -4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.308 -9.178 -7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.727 -8.749 -6.157 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.416 -7.643 -3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.186 -8.208 -6.615 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.064 -5.891 -2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.845 -6.452 -5.375 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.269 -4.660 -2.709 1.00 0.00 H new ATOM 520 N LYS A 35 -4.746 -11.857 -7.383 1.00 0.00 N ATOM 521 CA LYS A 35 -5.328 -12.798 -8.324 1.00 0.00 C ATOM 522 C LYS A 35 -5.865 -14.010 -7.561 1.00 0.00 C ATOM 523 O LYS A 35 -7.028 -14.382 -7.717 1.00 0.00 O ATOM 524 CB LYS A 35 -4.319 -13.157 -9.416 1.00 0.00 C ATOM 525 CG LYS A 35 -3.027 -13.710 -8.808 1.00 0.00 C ATOM 526 CD LYS A 35 -1.848 -13.529 -9.767 1.00 0.00 C ATOM 527 CE LYS A 35 -0.571 -14.142 -9.189 1.00 0.00 C ATOM 528 NZ LYS A 35 0.624 -13.482 -9.761 1.00 0.00 N ATOM 0 H LYS A 35 -3.804 -11.544 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.174 -12.345 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.754 -13.896 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.095 -12.274 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.817 -13.201 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.153 -14.768 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.079 -13.996 -10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.691 -12.468 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.568 -14.036 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.543 -15.210 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.483 -13.909 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.627 -13.605 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.603 -12.468 -9.533 1.00 0.00 H new ATOM 542 N LEU A 36 -4.994 -14.594 -6.751 1.00 0.00 N ATOM 543 CA LEU A 36 -5.367 -15.756 -5.962 1.00 0.00 C ATOM 544 C LEU A 36 -6.482 -15.370 -4.988 1.00 0.00 C ATOM 545 O LEU A 36 -7.609 -15.849 -5.109 1.00 0.00 O ATOM 546 CB LEU A 36 -4.136 -16.357 -5.281 1.00 0.00 C ATOM 547 CG LEU A 36 -3.138 -17.063 -6.200 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.844 -17.395 -5.454 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.764 -18.304 -6.840 1.00 0.00 C ATOM 0 H LEU A 36 -4.031 -14.284 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.764 -16.542 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.612 -15.560 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.473 -17.070 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.878 -16.380 -7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.152 -17.896 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.389 -16.475 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.067 -18.051 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.033 -18.787 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.072 -19.000 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.633 -18.011 -7.429 1.00 0.00 H new ATOM 561 N ILE A 37 -6.130 -14.507 -4.046 1.00 0.00 N ATOM 562 CA ILE A 37 -7.087 -14.052 -3.052 1.00 0.00 C ATOM 563 C ILE A 37 -8.448 -13.845 -3.720 1.00 0.00 C ATOM 564 O ILE A 37 -9.477 -14.245 -3.176 1.00 0.00 O ATOM 565 CB ILE A 37 -6.560 -12.810 -2.331 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.226 -13.101 -1.641 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.602 -12.260 -1.356 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.223 -11.974 -1.890 1.00 0.00 C ATOM 0 H ILE A 37 -5.195 -14.111 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.223 -14.808 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.375 -12.035 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.385 -13.221 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.819 -14.043 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.203 -11.377 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.505 -11.990 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.842 -13.020 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.283 -12.206 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.048 -11.873 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.622 -11.039 -1.498 1.00 0.00 H new ATOM 580 N ARG A 38 -8.411 -13.221 -4.887 1.00 0.00 N ATOM 581 CA ARG A 38 -9.628 -12.956 -5.634 1.00 0.00 C ATOM 582 C ARG A 38 -10.412 -14.252 -5.849 1.00 0.00 C ATOM 583 O ARG A 38 -11.609 -14.312 -5.574 1.00 0.00 O ATOM 584 CB ARG A 38 -9.315 -12.326 -6.993 1.00 0.00 C ATOM 585 CG ARG A 38 -10.601 -11.926 -7.721 1.00 0.00 C ATOM 586 CD ARG A 38 -10.950 -10.460 -7.452 1.00 0.00 C ATOM 587 NE ARG A 38 -11.256 -9.771 -8.725 1.00 0.00 N ATOM 588 CZ ARG A 38 -10.364 -9.571 -9.704 1.00 0.00 C ATOM 589 NH1 ARG A 38 -9.105 -10.006 -9.564 1.00 0.00 N ATOM 590 NH2 ARG A 38 -10.732 -8.936 -10.826 1.00 0.00 N ATOM 0 H ARG A 38 -7.556 -12.891 -5.334 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.228 -12.257 -5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.683 -11.449 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.751 -13.031 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.481 -12.084 -8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.422 -12.565 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.807 -10.399 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.117 -9.965 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.206 -9.427 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.825 -10.490 -8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.427 -9.853 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.691 -8.605 -10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.053 -8.783 -11.572 1.00 0.00 H new ATOM 604 N ASP A 39 -9.704 -15.260 -6.340 1.00 0.00 N ATOM 605 CA ASP A 39 -10.317 -16.552 -6.595 1.00 0.00 C ATOM 606 C ASP A 39 -10.535 -17.279 -5.267 1.00 0.00 C ATOM 607 O ASP A 39 -11.484 -18.051 -5.126 1.00 0.00 O ATOM 608 CB ASP A 39 -9.417 -17.426 -7.471 1.00 0.00 C ATOM 609 CG ASP A 39 -10.157 -18.391 -8.399 1.00 0.00 C ATOM 610 OD1 ASP A 39 -10.969 -19.178 -7.868 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.894 -18.318 -9.618 1.00 0.00 O ATOM 0 H ASP A 39 -8.711 -15.207 -6.568 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.263 -16.381 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.784 -16.777 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.756 -18.003 -6.824 1.00 0.00 H new ATOM 616 N SER A 40 -9.644 -17.008 -4.326 1.00 0.00 N ATOM 617 CA SER A 40 -9.727 -17.626 -3.014 1.00 0.00 C ATOM 618 C SER A 40 -9.882 -16.552 -1.937 1.00 0.00 C ATOM 619 O SER A 40 -8.899 -15.945 -1.513 1.00 0.00 O ATOM 620 CB SER A 40 -8.493 -18.487 -2.732 1.00 0.00 C ATOM 621 OG SER A 40 -8.511 -19.029 -1.414 1.00 0.00 O ATOM 0 H SER A 40 -8.859 -16.368 -4.446 1.00 0.00 H new ATOM 0 HA SER A 40 -10.602 -18.276 -2.997 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.444 -19.299 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.593 -17.886 -2.865 1.00 0.00 H new ATOM 0 HG SER A 40 -9.439 -19.138 -1.118 1.00 0.00 H new ATOM 627 N PRO A 41 -11.158 -16.342 -1.515 1.00 0.00 N ATOM 628 CA PRO A 41 -11.456 -15.351 -0.495 1.00 0.00 C ATOM 629 C PRO A 41 -11.040 -15.848 0.892 1.00 0.00 C ATOM 630 O PRO A 41 -10.940 -15.063 1.832 1.00 0.00 O ATOM 631 CB PRO A 41 -12.949 -15.100 -0.613 1.00 0.00 C ATOM 632 CG PRO A 41 -13.512 -16.291 -1.372 1.00 0.00 C ATOM 633 CD PRO A 41 -12.346 -17.041 -1.994 1.00 0.00 C ATOM 0 HA PRO A 41 -10.899 -14.425 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.409 -15.011 0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.148 -14.169 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.070 -16.943 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.207 -15.958 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.340 -18.087 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.402 -17.027 -3.082 1.00 0.00 H new ATOM 641 N ASP A 42 -10.810 -17.150 0.973 1.00 0.00 N ATOM 642 CA ASP A 42 -10.408 -17.762 2.228 1.00 0.00 C ATOM 643 C ASP A 42 -8.914 -18.084 2.178 1.00 0.00 C ATOM 644 O ASP A 42 -8.506 -19.204 2.484 1.00 0.00 O ATOM 645 CB ASP A 42 -11.167 -19.069 2.472 1.00 0.00 C ATOM 646 CG ASP A 42 -11.094 -20.081 1.327 1.00 0.00 C ATOM 647 OD1 ASP A 42 -11.303 -19.649 0.173 1.00 0.00 O ATOM 648 OD2 ASP A 42 -10.832 -21.264 1.631 1.00 0.00 O ATOM 0 H ASP A 42 -10.894 -17.798 0.190 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.631 -17.061 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.775 -19.536 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.214 -18.834 2.663 1.00 0.00 H new ATOM 653 N ALA A 43 -8.138 -17.084 1.791 1.00 0.00 N ATOM 654 CA ALA A 43 -6.697 -17.247 1.696 1.00 0.00 C ATOM 655 C ALA A 43 -6.011 -16.218 2.598 1.00 0.00 C ATOM 656 O ALA A 43 -5.187 -16.575 3.439 1.00 0.00 O ATOM 657 CB ALA A 43 -6.263 -17.122 0.234 1.00 0.00 C ATOM 0 H ALA A 43 -8.480 -16.156 1.539 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.400 -18.238 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.182 -17.244 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.755 -17.893 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.542 -16.139 -0.146 1.00 0.00 H new ATOM 663 N VAL A 44 -6.377 -14.961 2.392 1.00 0.00 N ATOM 664 CA VAL A 44 -5.807 -13.879 3.176 1.00 0.00 C ATOM 665 C VAL A 44 -6.911 -12.883 3.540 1.00 0.00 C ATOM 666 O VAL A 44 -7.814 -12.632 2.743 1.00 0.00 O ATOM 667 CB VAL A 44 -4.649 -13.233 2.413 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.205 -11.933 3.087 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.476 -14.206 2.272 1.00 0.00 C ATOM 0 H VAL A 44 -7.061 -14.668 1.694 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.392 -14.261 4.109 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.003 -12.987 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.381 -11.495 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.040 -11.233 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.878 -12.144 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.666 -13.723 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.124 -14.497 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.802 -15.092 1.728 1.00 0.00 H new ATOM 679 N GLU A 45 -6.802 -12.343 4.745 1.00 0.00 N ATOM 680 CA GLU A 45 -7.780 -11.381 5.225 1.00 0.00 C ATOM 681 C GLU A 45 -7.200 -9.966 5.177 1.00 0.00 C ATOM 682 O GLU A 45 -6.076 -9.737 5.623 1.00 0.00 O ATOM 683 CB GLU A 45 -8.249 -11.734 6.638 1.00 0.00 C ATOM 684 CG GLU A 45 -8.973 -10.552 7.286 1.00 0.00 C ATOM 685 CD GLU A 45 -8.215 -10.054 8.519 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.432 -10.650 9.597 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.437 -9.091 8.356 1.00 0.00 O ATOM 0 H GLU A 45 -6.052 -12.553 5.403 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.650 -11.419 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.915 -12.596 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.393 -12.020 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.072 -9.742 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.982 -10.851 7.571 1.00 0.00 H new ATOM 694 N VAL A 46 -7.991 -9.054 4.633 1.00 0.00 N ATOM 695 CA VAL A 46 -7.570 -7.668 4.522 1.00 0.00 C ATOM 696 C VAL A 46 -8.540 -6.780 5.305 1.00 0.00 C ATOM 697 O VAL A 46 -9.743 -6.790 5.047 1.00 0.00 O ATOM 698 CB VAL A 46 -7.456 -7.272 3.048 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.237 -5.765 2.900 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.341 -8.059 2.356 1.00 0.00 C ATOM 0 H VAL A 46 -8.922 -9.248 4.264 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.581 -7.534 4.959 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.397 -7.522 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.159 -5.511 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.078 -5.230 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.317 -5.479 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.280 -7.760 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.391 -7.853 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.557 -9.126 2.416 1.00 0.00 H new ATOM 710 N THR A 47 -7.981 -6.034 6.245 1.00 0.00 N ATOM 711 CA THR A 47 -8.781 -5.141 7.068 1.00 0.00 C ATOM 712 C THR A 47 -8.012 -3.852 7.360 1.00 0.00 C ATOM 713 O THR A 47 -6.840 -3.730 7.006 1.00 0.00 O ATOM 714 CB THR A 47 -9.191 -5.903 8.330 1.00 0.00 C ATOM 715 OG1 THR A 47 -8.027 -6.646 8.682 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.247 -6.975 8.050 1.00 0.00 C ATOM 0 H THR A 47 -6.983 -6.029 6.456 1.00 0.00 H new ATOM 0 HA THR A 47 -9.688 -4.830 6.549 1.00 0.00 H new ATOM 0 HB THR A 47 -9.575 -5.200 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.097 -7.554 8.321 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.502 -7.486 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.140 -6.507 7.636 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.852 -7.697 7.336 1.00 0.00 H new ATOM 724 N GLY A 48 -8.703 -2.921 8.002 1.00 0.00 N ATOM 725 CA GLY A 48 -8.099 -1.645 8.346 1.00 0.00 C ATOM 726 C GLY A 48 -8.329 -0.615 7.238 1.00 0.00 C ATOM 727 O GLY A 48 -8.359 0.587 7.500 1.00 0.00 O ATOM 0 H GLY A 48 -9.675 -3.025 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.521 -1.279 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.029 -1.777 8.509 1.00 0.00 H new ATOM 731 N LEU A 49 -8.485 -1.122 6.025 1.00 0.00 N ATOM 732 CA LEU A 49 -8.711 -0.261 4.876 1.00 0.00 C ATOM 733 C LEU A 49 -9.720 0.826 5.251 1.00 0.00 C ATOM 734 O LEU A 49 -10.408 0.717 6.265 1.00 0.00 O ATOM 735 CB LEU A 49 -9.123 -1.089 3.658 1.00 0.00 C ATOM 736 CG LEU A 49 -7.980 -1.607 2.781 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.498 -2.591 1.731 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.206 -0.449 2.149 1.00 0.00 C ATOM 0 H LEU A 49 -8.459 -2.119 5.812 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.788 0.244 4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.705 -1.943 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.784 -0.483 3.038 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.282 -2.152 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.666 -2.944 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.969 -3.439 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.229 -2.092 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.400 -0.844 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.880 0.144 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.786 0.180 2.934 1.00 0.00 H new ATOM 750 N PRO A 50 -9.780 1.877 4.389 1.00 0.00 N ATOM 751 CA PRO A 50 -10.693 2.983 4.619 1.00 0.00 C ATOM 752 C PRO A 50 -12.132 2.584 4.284 1.00 0.00 C ATOM 753 O PRO A 50 -12.367 1.821 3.349 1.00 0.00 O ATOM 754 CB PRO A 50 -10.173 4.112 3.744 1.00 0.00 C ATOM 755 CG PRO A 50 -9.269 3.457 2.712 1.00 0.00 C ATOM 756 CD PRO A 50 -8.980 2.039 3.178 1.00 0.00 C ATOM 0 HA PRO A 50 -10.726 3.290 5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.994 4.643 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.624 4.844 4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.751 3.447 1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.342 4.020 2.605 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.258 1.308 2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.919 1.898 3.383 1.00 0.00 H new ATOM 764 N ASP A 51 -13.058 3.117 5.069 1.00 0.00 N ATOM 765 CA ASP A 51 -14.467 2.826 4.868 1.00 0.00 C ATOM 766 C ASP A 51 -14.882 3.277 3.466 1.00 0.00 C ATOM 767 O ASP A 51 -14.374 4.274 2.955 1.00 0.00 O ATOM 768 CB ASP A 51 -15.334 3.576 5.881 1.00 0.00 C ATOM 769 CG ASP A 51 -15.175 5.097 5.867 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.281 5.582 6.595 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.951 5.743 5.131 1.00 0.00 O ATOM 0 H ASP A 51 -12.859 3.748 5.845 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.611 1.753 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.380 3.333 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.098 3.210 6.880 1.00 0.00 H new ATOM 776 N ASP A 52 -15.800 2.519 2.883 1.00 0.00 N ATOM 777 CA ASP A 52 -16.288 2.828 1.550 1.00 0.00 C ATOM 778 C ASP A 52 -15.184 2.546 0.528 1.00 0.00 C ATOM 779 O ASP A 52 -15.099 3.215 -0.500 1.00 0.00 O ATOM 780 CB ASP A 52 -16.674 4.305 1.433 1.00 0.00 C ATOM 781 CG ASP A 52 -17.981 4.574 0.684 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.751 3.604 0.519 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.179 5.744 0.293 1.00 0.00 O ATOM 0 H ASP A 52 -16.218 1.692 3.310 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.165 2.209 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.754 4.725 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.867 4.837 0.929 1.00 0.00 H new ATOM 788 N ILE A 53 -14.366 1.554 0.849 1.00 0.00 N ATOM 789 CA ILE A 53 -13.271 1.175 -0.028 1.00 0.00 C ATOM 790 C ILE A 53 -12.953 -0.307 0.173 1.00 0.00 C ATOM 791 O ILE A 53 -12.574 -0.722 1.268 1.00 0.00 O ATOM 792 CB ILE A 53 -12.069 2.097 0.185 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.415 3.542 -0.181 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.845 1.589 -0.579 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.189 4.448 -0.054 1.00 0.00 C ATOM 0 H ILE A 53 -14.440 1.002 1.703 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.558 1.301 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.814 2.086 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.796 3.581 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.210 3.906 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.005 2.263 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.585 0.590 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.071 1.551 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.462 5.469 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.825 4.425 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.405 4.096 -0.725 1.00 0.00 H new ATOM 807 N PRO A 54 -13.121 -1.087 -0.929 1.00 0.00 N ATOM 808 CA PRO A 54 -12.855 -2.515 -0.884 1.00 0.00 C ATOM 809 C PRO A 54 -11.351 -2.793 -0.875 1.00 0.00 C ATOM 810 O PRO A 54 -10.553 -1.903 -0.583 1.00 0.00 O ATOM 811 CB PRO A 54 -13.558 -3.085 -2.106 1.00 0.00 C ATOM 812 CG PRO A 54 -13.796 -1.907 -3.037 1.00 0.00 C ATOM 813 CD PRO A 54 -13.568 -0.631 -2.241 1.00 0.00 C ATOM 0 HA PRO A 54 -13.227 -2.983 0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.946 -3.847 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.499 -3.560 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.119 -1.951 -3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.811 -1.933 -3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.819 0.003 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.483 -0.043 -2.165 1.00 0.00 H new ATOM 821 N PHE A 55 -11.009 -4.031 -1.199 1.00 0.00 N ATOM 822 CA PHE A 55 -9.614 -4.436 -1.233 1.00 0.00 C ATOM 823 C PHE A 55 -9.272 -5.116 -2.561 1.00 0.00 C ATOM 824 O PHE A 55 -9.584 -6.288 -2.761 1.00 0.00 O ATOM 825 CB PHE A 55 -9.411 -5.439 -0.095 1.00 0.00 C ATOM 826 CG PHE A 55 -8.199 -6.354 -0.278 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.960 -5.816 -0.438 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.361 -7.704 -0.282 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.835 -6.666 -0.609 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.235 -8.553 -0.452 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.996 -8.016 -0.613 1.00 0.00 C ATOM 0 H PHE A 55 -11.673 -4.767 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.971 -3.562 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.302 -4.892 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.306 -6.054 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.832 -4.744 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.345 -8.130 -0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.851 -6.240 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.363 -9.625 -0.453 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.140 -8.662 -0.744 1.00 0.00 H new ATOM 841 N ARG A 56 -8.636 -4.350 -3.435 1.00 0.00 N ATOM 842 CA ARG A 56 -8.249 -4.863 -4.737 1.00 0.00 C ATOM 843 C ARG A 56 -6.901 -4.276 -5.160 1.00 0.00 C ATOM 844 O ARG A 56 -6.329 -3.451 -4.449 1.00 0.00 O ATOM 845 CB ARG A 56 -9.299 -4.525 -5.798 1.00 0.00 C ATOM 846 CG ARG A 56 -10.714 -4.762 -5.263 1.00 0.00 C ATOM 847 CD ARG A 56 -11.060 -6.252 -5.272 1.00 0.00 C ATOM 848 NE ARG A 56 -12.315 -6.476 -6.025 1.00 0.00 N ATOM 849 CZ ARG A 56 -12.381 -6.596 -7.357 1.00 0.00 C ATOM 850 NH1 ARG A 56 -11.264 -6.516 -8.094 1.00 0.00 N ATOM 851 NH2 ARG A 56 -13.564 -6.797 -7.955 1.00 0.00 N ATOM 0 H ARG A 56 -8.379 -3.377 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.168 -5.947 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.191 -3.484 -6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.135 -5.136 -6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.793 -4.373 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.433 -4.214 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.248 -6.820 -5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.170 -6.614 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.184 -6.543 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.363 -6.364 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.315 -6.607 -9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.414 -6.859 -7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.614 -6.888 -8.970 1.00 0.00 H new ATOM 865 N ASN A 57 -6.433 -4.723 -6.316 1.00 0.00 N ATOM 866 CA ASN A 57 -5.163 -4.252 -6.842 1.00 0.00 C ATOM 867 C ASN A 57 -5.031 -2.751 -6.578 1.00 0.00 C ATOM 868 O ASN A 57 -5.949 -1.984 -6.862 1.00 0.00 O ATOM 869 CB ASN A 57 -5.075 -4.476 -8.353 1.00 0.00 C ATOM 870 CG ASN A 57 -3.624 -4.678 -8.794 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.922 -5.558 -8.324 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.216 -3.817 -9.723 1.00 0.00 N ATOM 0 H ASN A 57 -6.911 -5.407 -6.903 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.367 -4.809 -6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.668 -5.348 -8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.502 -3.621 -8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.264 -3.870 -10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.856 -3.104 -10.074 1.00 0.00 H new ATOM 879 N PRO A 58 -3.851 -2.367 -6.020 1.00 0.00 N ATOM 880 CA PRO A 58 -3.588 -0.971 -5.715 1.00 0.00 C ATOM 881 C PRO A 58 -3.285 -0.179 -6.987 1.00 0.00 C ATOM 882 O PRO A 58 -3.284 1.052 -6.971 1.00 0.00 O ATOM 883 CB PRO A 58 -2.422 -0.996 -4.740 1.00 0.00 C ATOM 884 CG PRO A 58 -1.777 -2.364 -4.894 1.00 0.00 C ATOM 885 CD PRO A 58 -2.741 -3.248 -5.670 1.00 0.00 C ATOM 0 HA PRO A 58 -4.449 -0.467 -5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.710 -0.201 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.765 -0.839 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.826 -2.281 -5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.563 -2.798 -3.917 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.269 -3.663 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.079 -4.090 -5.067 1.00 0.00 H new ATOM 893 N ASN A 59 -3.035 -0.915 -8.061 1.00 0.00 N ATOM 894 CA ASN A 59 -2.732 -0.296 -9.339 1.00 0.00 C ATOM 895 C ASN A 59 -4.029 -0.102 -10.127 1.00 0.00 C ATOM 896 O ASN A 59 -4.274 -0.802 -11.109 1.00 0.00 O ATOM 897 CB ASN A 59 -1.801 -1.180 -10.171 1.00 0.00 C ATOM 898 CG ASN A 59 -0.906 -0.332 -11.078 1.00 0.00 C ATOM 899 OD1 ASN A 59 -1.354 0.565 -11.773 1.00 0.00 O ATOM 900 ND2 ASN A 59 0.380 -0.666 -11.033 1.00 0.00 N ATOM 0 H ASN A 59 -3.036 -1.935 -8.071 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.244 0.659 -9.144 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.183 -1.788 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.391 -1.868 -10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.058 -0.160 -11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.688 -1.428 -10.429 1.00 0.00 H new ATOM 907 N THR A 60 -4.826 0.852 -9.668 1.00 0.00 N ATOM 908 CA THR A 60 -6.091 1.147 -10.318 1.00 0.00 C ATOM 909 C THR A 60 -6.863 2.205 -9.527 1.00 0.00 C ATOM 910 O THR A 60 -7.568 3.029 -10.108 1.00 0.00 O ATOM 911 CB THR A 60 -6.857 -0.168 -10.482 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.212 0.238 -10.650 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.874 -1.000 -9.197 1.00 0.00 C ATOM 0 H THR A 60 -4.620 1.430 -8.854 1.00 0.00 H new ATOM 0 HA THR A 60 -5.936 1.575 -11.308 1.00 0.00 H new ATOM 0 HB THR A 60 -6.409 -0.751 -11.286 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.779 -0.553 -10.765 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.430 -1.922 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.852 -1.241 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.353 -0.430 -8.401 1.00 0.00 H new ATOM 921 N TYR A 61 -6.705 2.147 -8.213 1.00 0.00 N ATOM 922 CA TYR A 61 -7.378 3.090 -7.335 1.00 0.00 C ATOM 923 C TYR A 61 -7.200 4.526 -7.834 1.00 0.00 C ATOM 924 O TYR A 61 -6.417 4.776 -8.750 1.00 0.00 O ATOM 925 CB TYR A 61 -6.704 2.951 -5.969 1.00 0.00 C ATOM 926 CG TYR A 61 -7.087 1.676 -5.214 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.414 1.314 -5.102 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.106 0.890 -4.644 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.774 0.114 -4.390 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.466 -0.309 -3.933 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.783 -0.637 -3.841 1.00 0.00 C ATOM 932 OH TYR A 61 -8.124 -1.770 -3.169 1.00 0.00 O ATOM 0 H TYR A 61 -6.121 1.461 -7.735 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.447 2.882 -7.296 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.623 2.970 -6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.963 3.815 -5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.182 1.929 -5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.068 1.175 -4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.808 -0.182 -4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.708 -0.933 -3.483 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.084 -1.759 -2.975 1.00 0.00 H new ATOM 942 N ASP A 62 -7.940 5.430 -7.210 1.00 0.00 N ATOM 943 CA ASP A 62 -7.874 6.834 -7.579 1.00 0.00 C ATOM 944 C ASP A 62 -7.214 7.624 -6.448 1.00 0.00 C ATOM 945 O ASP A 62 -7.062 7.116 -5.337 1.00 0.00 O ATOM 946 CB ASP A 62 -9.273 7.410 -7.805 1.00 0.00 C ATOM 947 CG ASP A 62 -10.211 6.526 -8.628 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.807 5.611 -8.019 1.00 0.00 O ATOM 949 OD2 ASP A 62 -10.312 6.784 -9.847 1.00 0.00 O ATOM 0 H ASP A 62 -8.588 5.218 -6.452 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.298 6.914 -8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.733 7.598 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.176 8.374 -8.304 1.00 0.00 H new ATOM 954 N ILE A 63 -6.841 8.855 -6.766 1.00 0.00 N ATOM 955 CA ILE A 63 -6.202 9.720 -5.790 1.00 0.00 C ATOM 956 C ILE A 63 -6.885 9.544 -4.433 1.00 0.00 C ATOM 957 O ILE A 63 -6.225 9.546 -3.396 1.00 0.00 O ATOM 958 CB ILE A 63 -6.184 11.168 -6.286 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.847 11.841 -5.968 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.370 11.954 -5.724 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.973 13.364 -6.026 1.00 0.00 C ATOM 0 H ILE A 63 -6.969 9.274 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.157 9.439 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.289 11.159 -7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.510 11.538 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.090 11.508 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.334 12.980 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.301 11.486 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.321 11.957 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.009 13.818 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.287 13.665 -7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.713 13.696 -5.298 1.00 0.00 H new ATOM 973 N HIS A 64 -8.201 9.393 -4.484 1.00 0.00 N ATOM 974 CA HIS A 64 -8.982 9.216 -3.271 1.00 0.00 C ATOM 975 C HIS A 64 -8.533 7.941 -2.555 1.00 0.00 C ATOM 976 O HIS A 64 -7.872 8.006 -1.519 1.00 0.00 O ATOM 977 CB HIS A 64 -10.479 9.224 -3.584 1.00 0.00 C ATOM 978 CG HIS A 64 -11.117 10.591 -3.497 1.00 0.00 C ATOM 979 ND1 HIS A 64 -12.089 11.022 -4.382 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.912 11.616 -2.620 1.00 0.00 C ATOM 981 CE1 HIS A 64 -12.445 12.253 -4.045 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.714 12.619 -2.954 1.00 0.00 N ATOM 0 H HIS A 64 -8.746 9.390 -5.346 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.807 10.053 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.632 8.826 -4.587 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.988 8.552 -2.893 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.216 11.612 -1.795 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.184 12.860 -4.546 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.774 13.517 -2.473 1.00 0.00 H new ATOM 990 N ARG A 65 -8.911 6.810 -3.133 1.00 0.00 N ATOM 991 CA ARG A 65 -8.555 5.523 -2.563 1.00 0.00 C ATOM 992 C ARG A 65 -7.087 5.519 -2.134 1.00 0.00 C ATOM 993 O ARG A 65 -6.773 5.202 -0.987 1.00 0.00 O ATOM 994 CB ARG A 65 -8.788 4.392 -3.567 1.00 0.00 C ATOM 995 CG ARG A 65 -9.997 3.544 -3.167 1.00 0.00 C ATOM 996 CD ARG A 65 -11.138 3.706 -4.173 1.00 0.00 C ATOM 997 NE ARG A 65 -12.129 4.680 -3.662 1.00 0.00 N ATOM 998 CZ ARG A 65 -12.999 5.343 -4.437 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.005 5.142 -5.762 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -13.862 6.208 -3.886 1.00 0.00 N ATOM 0 H ARG A 65 -9.461 6.759 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.192 5.359 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.946 4.810 -4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.900 3.762 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.706 2.495 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.339 3.837 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.744 4.045 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.619 2.744 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.151 4.858 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.347 4.484 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.667 5.647 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.856 6.361 -2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.524 6.713 -4.475 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.226 5.875 -3.076 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.798 5.917 -2.810 1.00 0.00 C ATOM 1016 C LEU A 66 -4.540 6.780 -1.574 1.00 0.00 C ATOM 1017 O LEU A 66 -3.856 6.353 -0.645 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.035 6.377 -4.053 1.00 0.00 C ATOM 1019 CG LEU A 66 -3.996 5.389 -5.221 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.113 5.916 -6.354 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.557 4.001 -4.749 1.00 0.00 C ATOM 0 H LEU A 66 -6.490 6.137 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.422 4.919 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.481 7.307 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.010 6.605 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.006 5.289 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.102 5.196 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.510 6.866 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.098 6.063 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.537 3.317 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.561 4.064 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.260 3.632 -4.002 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.100 7.981 -1.602 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.940 8.908 -0.496 1.00 0.00 C ATOM 1035 C GLU A 67 -5.510 8.305 0.789 1.00 0.00 C ATOM 1036 O GLU A 67 -4.813 8.212 1.798 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.597 10.254 -0.809 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.729 11.078 -1.763 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.903 12.114 -0.997 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -2.779 11.751 -0.585 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -4.413 13.244 -0.840 1.00 0.00 O ATOM 0 H GLU A 67 -5.666 8.333 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.875 9.087 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.578 10.089 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.756 10.809 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.064 10.417 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.362 11.581 -2.494 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.773 7.912 0.711 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.445 7.321 1.856 1.00 0.00 C ATOM 1050 C LYS A 68 -6.604 6.162 2.393 1.00 0.00 C ATOM 1051 O LYS A 68 -6.158 6.193 3.539 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.877 6.924 1.490 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.631 8.103 0.871 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.823 8.509 1.740 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.495 9.770 1.194 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.236 10.923 2.085 1.00 0.00 N ATOM 0 H LYS A 68 -7.349 7.991 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.536 8.049 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.859 6.090 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.402 6.579 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.956 8.951 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.979 7.834 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.546 7.694 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.489 8.684 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.120 9.985 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.569 9.607 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.699 11.771 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.615 10.722 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.211 11.088 2.150 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.413 5.166 1.541 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.633 3.999 1.915 1.00 0.00 C ATOM 1072 C ILE A 69 -4.369 4.449 2.649 1.00 0.00 C ATOM 1073 O ILE A 69 -4.158 4.092 3.807 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.355 3.125 0.691 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.602 2.337 0.284 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.153 2.209 0.933 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.875 2.478 -1.215 1.00 0.00 C ATOM 0 H ILE A 69 -6.785 5.143 0.592 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.196 3.371 2.605 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.100 3.778 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.470 1.285 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.463 2.694 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.977 1.598 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.270 2.814 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.355 1.561 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.766 1.908 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.031 3.529 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.022 2.097 -1.777 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.560 5.228 1.945 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.322 5.732 2.515 1.00 0.00 C ATOM 1091 C LEU A 70 -2.597 6.282 3.915 1.00 0.00 C ATOM 1092 O LEU A 70 -1.748 6.192 4.801 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.671 6.745 1.572 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.530 6.215 0.700 1.00 0.00 C ATOM 1095 CD1 LEU A 70 0.247 7.364 0.056 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.382 5.282 1.500 1.00 0.00 C ATOM 0 H LEU A 70 -3.738 5.522 0.985 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.598 4.925 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.443 7.151 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.291 7.574 2.169 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.962 5.627 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.052 6.960 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.425 7.953 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.669 7.999 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.184 4.919 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.809 5.825 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.197 4.436 1.870 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.788 6.842 4.073 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.187 7.408 5.351 1.00 0.00 C ATOM 1110 C LYS A 71 -4.459 6.276 6.342 1.00 0.00 C ATOM 1111 O LYS A 71 -4.112 6.378 7.517 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.367 8.364 5.168 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.981 9.792 5.560 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.220 10.684 5.666 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.831 12.164 5.686 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.407 12.836 6.871 1.00 0.00 N ATOM 0 H LYS A 71 -4.490 6.916 3.337 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.381 8.011 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.698 8.345 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.208 8.031 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.453 9.781 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.294 10.203 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.885 10.491 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.773 10.438 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.745 12.260 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.184 12.651 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.133 13.839 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.444 12.760 6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.050 12.382 7.736 1.00 0.00 H new ATOM 1130 N ALA A 72 -5.080 5.222 5.831 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.404 4.072 6.658 1.00 0.00 C ATOM 1132 C ALA A 72 -4.287 3.033 6.539 1.00 0.00 C ATOM 1133 O ALA A 72 -4.472 1.872 6.899 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.767 3.512 6.244 1.00 0.00 C ATOM 0 H ALA A 72 -5.367 5.141 4.856 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.475 4.362 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.010 2.649 6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.530 4.279 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.733 3.208 5.198 1.00 0.00 H new ATOM 1140 N ARG A 73 -3.151 3.488 6.031 1.00 0.00 N ATOM 1141 CA ARG A 73 -2.004 2.613 5.860 1.00 0.00 C ATOM 1142 C ARG A 73 -1.663 1.920 7.181 1.00 0.00 C ATOM 1143 O ARG A 73 -1.279 0.751 7.192 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.782 3.395 5.373 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.340 4.425 6.415 1.00 0.00 C ATOM 1146 CD ARG A 73 0.890 5.198 5.934 1.00 0.00 C ATOM 1147 NE ARG A 73 1.291 6.195 6.952 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.197 7.161 6.741 1.00 0.00 C ATOM 1149 NH1 ARG A 73 2.799 7.265 5.549 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.498 8.022 7.722 1.00 0.00 N ATOM 0 H ARG A 73 -3.001 4.452 5.732 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.266 1.866 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.037 2.706 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.018 3.899 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.156 5.120 6.614 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.113 3.922 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.712 4.508 5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.670 5.698 4.991 1.00 0.00 H new ATOM 0 HE ARG A 73 0.851 6.144 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.568 6.610 4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.488 8.000 5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.038 7.943 8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.187 8.757 7.562 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.816 2.668 8.263 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.531 2.141 9.586 1.00 0.00 C ATOM 1166 C GLU A 74 -2.634 1.173 10.022 1.00 0.00 C ATOM 1167 O GLU A 74 -2.353 0.130 10.610 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.360 3.271 10.603 1.00 0.00 C ATOM 1169 CG GLU A 74 0.097 3.386 11.055 1.00 0.00 C ATOM 1170 CD GLU A 74 0.243 3.016 12.533 1.00 0.00 C ATOM 1171 OE1 GLU A 74 -0.102 3.878 13.370 1.00 0.00 O ATOM 1172 OE2 GLU A 74 0.697 1.880 12.791 1.00 0.00 O ATOM 0 H GLU A 74 -2.134 3.637 8.250 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.590 1.593 9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.683 4.214 10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.999 3.088 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.722 2.731 10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.452 4.404 10.894 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.866 1.555 9.715 1.00 0.00 N ATOM 1180 CA HIS A 75 -5.011 0.734 10.068 1.00 0.00 C ATOM 1181 C HIS A 75 -4.981 -0.565 9.260 1.00 0.00 C ATOM 1182 O HIS A 75 -5.209 -1.644 9.805 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.315 1.515 9.885 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.670 2.399 11.057 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.068 1.895 12.283 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.682 3.758 11.177 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.308 2.913 13.096 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -7.068 4.067 12.408 1.00 0.00 N ATOM 0 H HIS A 75 -4.095 2.421 9.227 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.959 0.466 11.123 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.235 2.131 8.989 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.128 0.810 9.715 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.421 4.463 10.401 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.636 2.842 14.123 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.169 5.012 12.779 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.698 -0.418 7.974 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.634 -1.566 7.086 1.00 0.00 C ATOM 1198 C VAL A 76 -3.860 -2.693 7.772 1.00 0.00 C ATOM 1199 O VAL A 76 -2.740 -2.488 8.238 1.00 0.00 O ATOM 1200 CB VAL A 76 -4.028 -1.155 5.742 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.766 -2.380 4.862 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.922 -0.144 5.024 1.00 0.00 C ATOM 0 H VAL A 76 -4.510 0.479 7.526 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.635 -1.942 6.874 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.070 -0.673 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.335 -2.061 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.071 -3.050 5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.704 -2.903 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.468 0.131 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.901 -0.587 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.035 0.746 5.643 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.487 -3.860 7.812 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.870 -5.020 8.432 1.00 0.00 C ATOM 1214 C ARG A 77 -4.268 -6.295 7.686 1.00 0.00 C ATOM 1215 O ARG A 77 -5.436 -6.482 7.349 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.285 -5.145 9.900 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.717 -6.421 10.523 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.586 -6.097 11.501 1.00 0.00 C ATOM 1219 NE ARG A 77 -3.115 -5.332 12.652 1.00 0.00 N ATOM 1220 CZ ARG A 77 -2.484 -5.208 13.828 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -1.295 -5.798 14.014 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -3.040 -4.495 14.816 1.00 0.00 N ATOM 0 H ARG A 77 -5.416 -4.027 7.425 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.789 -4.888 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.933 -4.276 10.456 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.372 -5.152 9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.509 -6.960 11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.346 -7.079 9.738 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.121 -7.019 11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.811 -5.520 10.996 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.018 -4.869 12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.872 -6.340 13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.814 -5.704 14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.945 -4.046 14.674 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.559 -4.401 15.711 1.00 0.00 H new ATOM 1236 N MET A 78 -3.275 -7.140 7.451 1.00 0.00 N ATOM 1237 CA MET A 78 -3.506 -8.393 6.752 1.00 0.00 C ATOM 1238 C MET A 78 -3.392 -9.582 7.707 1.00 0.00 C ATOM 1239 O MET A 78 -2.569 -9.573 8.621 1.00 0.00 O ATOM 1240 CB MET A 78 -2.485 -8.543 5.623 1.00 0.00 C ATOM 1241 CG MET A 78 -2.859 -7.668 4.425 1.00 0.00 C ATOM 1242 SD MET A 78 -1.553 -7.704 3.210 1.00 0.00 S ATOM 1243 CE MET A 78 -2.282 -6.685 1.939 1.00 0.00 C ATOM 0 H MET A 78 -2.308 -6.981 7.733 1.00 0.00 H new ATOM 0 HA MET A 78 -4.515 -8.378 6.341 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.495 -8.266 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.431 -9.587 5.313 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.789 -8.023 3.981 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.033 -6.643 4.753 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.511 -6.062 1.485 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.731 -7.321 1.176 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.050 -6.049 2.379 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.230 -10.580 7.461 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.233 -11.775 8.287 1.00 0.00 C ATOM 1255 C VAL A 79 -4.310 -13.010 7.388 1.00 0.00 C ATOM 1256 O VAL A 79 -5.278 -13.188 6.651 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.373 -11.705 9.305 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.431 -12.978 10.152 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.242 -10.463 10.190 1.00 0.00 C ATOM 0 H VAL A 79 -4.911 -10.585 6.702 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.308 -11.846 8.859 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.310 -11.627 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.250 -12.902 10.867 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.594 -13.839 9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.490 -13.101 10.689 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.065 -10.437 10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.295 -10.498 10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.273 -9.568 9.568 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.275 -13.834 7.479 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.213 -15.047 6.684 1.00 0.00 C ATOM 1271 C ILE A 80 -4.301 -16.016 7.153 1.00 0.00 C ATOM 1272 O ILE A 80 -4.071 -16.827 8.047 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.803 -15.641 6.722 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.776 -14.652 6.168 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.754 -16.986 5.993 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.049 -14.347 4.694 1.00 0.00 C ATOM 0 H ILE A 80 -2.473 -13.684 8.092 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.413 -14.826 5.636 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.540 -15.829 7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.807 -13.728 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.227 -15.064 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.741 -17.386 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.440 -17.685 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.046 -16.847 4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.305 -13.641 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.994 -15.269 4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.043 -13.913 4.590 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.463 -15.898 6.526 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.587 -16.753 6.868 1.00 0.00 C ATOM 1290 C ILE A 81 -6.113 -18.206 6.946 1.00 0.00 C ATOM 1291 O ILE A 81 -6.181 -18.828 8.004 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.743 -16.535 5.889 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.368 -15.151 6.078 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.780 -17.654 6.007 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.669 -14.883 7.554 1.00 0.00 C ATOM 0 H ILE A 81 -5.650 -15.224 5.784 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.978 -16.492 7.851 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.344 -16.572 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.691 -14.387 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.288 -15.081 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.591 -17.475 5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.309 -18.611 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.180 -17.674 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.112 -13.893 7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.365 -15.635 7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.744 -14.930 8.128 1.00 0.00 H new