USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 560 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 30 HIS : no HD1:sc= -0.562 K(o=-2,f=-0.82) USER MOD Set 1.2: A 41 MET CE :methyl -140:sc= -1.42 (180deg=-2.38!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1 K(o=-1,f=-4.9!) USER MOD Single : A 25 GLN : amide:sc= 0.04 K(o=0.04,f=-2.1!) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.181 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.561 K(o=-0.56,f=-5.4!) USER MOD Single : A 54 LYS NZ :NH3+ 127:sc= 0.946 (180deg=-0.308) USER MOD Single : A 55 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.13) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.255) USER MOD Single : A 66 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 67 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.64) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -1.774 -13.777 -4.904 1.00 0.00 N ATOM 67 CA PRO A 8 -1.948 -12.549 -5.687 1.00 0.00 C ATOM 68 C PRO A 8 -1.035 -11.424 -5.212 1.00 0.00 C ATOM 69 O PRO A 8 -0.800 -11.264 -4.014 1.00 0.00 O ATOM 70 CB PRO A 8 -3.414 -12.183 -5.448 1.00 0.00 C ATOM 71 CG PRO A 8 -3.751 -12.802 -4.136 1.00 0.00 C ATOM 72 CD PRO A 8 -2.940 -14.065 -4.053 1.00 0.00 C ATOM 0 HA PRO A 8 -1.695 -12.696 -6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.553 -11.102 -5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.053 -12.568 -6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.510 -12.129 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.817 -13.018 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.644 -14.286 -3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.500 -14.927 -4.416 1.00 0.00 H new ATOM 80 N LYS A 9 -0.519 -10.647 -6.159 1.00 0.00 N ATOM 81 CA LYS A 9 0.368 -9.535 -5.838 1.00 0.00 C ATOM 82 C LYS A 9 -0.431 -8.304 -5.423 1.00 0.00 C ATOM 83 O LYS A 9 -1.144 -7.713 -6.233 1.00 0.00 O ATOM 84 CB LYS A 9 1.253 -9.200 -7.041 1.00 0.00 C ATOM 85 CG LYS A 9 2.297 -8.135 -6.749 1.00 0.00 C ATOM 86 CD LYS A 9 3.524 -8.726 -6.077 1.00 0.00 C ATOM 87 CE LYS A 9 4.655 -7.713 -5.991 1.00 0.00 C ATOM 88 NZ LYS A 9 5.533 -7.760 -7.193 1.00 0.00 N ATOM 0 H LYS A 9 -0.700 -10.767 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 9 0.999 -9.835 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.755 -10.107 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.622 -8.863 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.590 -7.647 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.865 -7.367 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.263 -9.067 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.859 -9.601 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.238 -6.711 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.250 -7.907 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.292 -7.055 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.951 -8.708 -7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.971 -7.549 -8.042 1.00 0.00 H new ATOM 102 N ALA A 10 -0.305 -7.923 -4.156 1.00 0.00 N ATOM 103 CA ALA A 10 -1.012 -6.760 -3.635 1.00 0.00 C ATOM 104 C ALA A 10 -0.745 -5.525 -4.489 1.00 0.00 C ATOM 105 O ALA A 10 0.396 -5.093 -4.658 1.00 0.00 O ATOM 106 CB ALA A 10 -0.611 -6.502 -2.190 1.00 0.00 C ATOM 0 H ALA A 10 0.280 -8.403 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.081 -6.970 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.147 -5.630 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.861 -7.372 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.462 -6.319 -2.137 1.00 0.00 H new ATOM 112 N PRO A 11 -1.819 -4.943 -5.043 1.00 0.00 N ATOM 113 CA PRO A 11 -1.724 -3.750 -5.889 1.00 0.00 C ATOM 114 C PRO A 11 -1.336 -2.506 -5.097 1.00 0.00 C ATOM 115 O PRO A 11 -0.926 -2.598 -3.940 1.00 0.00 O ATOM 116 CB PRO A 11 -3.139 -3.605 -6.455 1.00 0.00 C ATOM 117 CG PRO A 11 -4.017 -4.273 -5.456 1.00 0.00 C ATOM 118 CD PRO A 11 -3.208 -5.405 -4.884 1.00 0.00 C ATOM 0 HA PRO A 11 -0.953 -3.851 -6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.409 -2.557 -6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.224 -4.076 -7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.320 -3.576 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.929 -4.643 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.454 -5.587 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.386 -6.337 -5.420 1.00 0.00 H new ATOM 126 N VAL A 12 -1.469 -1.343 -5.727 1.00 0.00 N ATOM 127 CA VAL A 12 -1.134 -0.080 -5.080 1.00 0.00 C ATOM 128 C VAL A 12 -2.378 0.775 -4.866 1.00 0.00 C ATOM 129 O VAL A 12 -3.376 0.627 -5.572 1.00 0.00 O ATOM 130 CB VAL A 12 -0.111 0.719 -5.908 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.233 0.008 -5.927 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.626 0.942 -7.322 1.00 0.00 C ATOM 0 H VAL A 12 -1.806 -1.249 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.696 -0.326 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 12 0.027 1.693 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.943 0.588 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.606 -0.093 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.115 -0.981 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.110 1.508 -7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.795 -0.021 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.562 1.499 -7.285 1.00 0.00 H new ATOM 142 N THR A 13 -2.312 1.671 -3.887 1.00 0.00 N ATOM 143 CA THR A 13 -3.432 2.550 -3.578 1.00 0.00 C ATOM 144 C THR A 13 -3.328 3.864 -4.345 1.00 0.00 C ATOM 145 O THR A 13 -2.231 4.335 -4.642 1.00 0.00 O ATOM 146 CB THR A 13 -3.510 2.855 -2.070 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.299 3.481 -1.635 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.742 1.580 -1.273 1.00 0.00 C ATOM 0 H THR A 13 -1.493 1.807 -3.294 1.00 0.00 H new ATOM 0 HA THR A 13 -4.337 2.025 -3.882 1.00 0.00 H new ATOM 0 HB THR A 13 -4.349 3.530 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.357 3.674 -0.676 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.794 1.819 -0.211 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.679 1.120 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.920 0.886 -1.449 1.00 0.00 H new ATOM 156 N GLY A 14 -4.478 4.451 -4.663 1.00 0.00 N ATOM 157 CA GLY A 14 -4.493 5.705 -5.394 1.00 0.00 C ATOM 158 C GLY A 14 -3.372 6.634 -4.972 1.00 0.00 C ATOM 159 O GLY A 14 -2.794 7.336 -5.802 1.00 0.00 O ATOM 0 H GLY A 14 -5.399 4.081 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.410 5.501 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.451 6.202 -5.238 1.00 0.00 H new ATOM 163 N TYR A 15 -3.065 6.640 -3.680 1.00 0.00 N ATOM 164 CA TYR A 15 -2.008 7.493 -3.151 1.00 0.00 C ATOM 165 C TYR A 15 -0.643 7.067 -3.685 1.00 0.00 C ATOM 166 O TYR A 15 0.121 7.886 -4.192 1.00 0.00 O ATOM 167 CB TYR A 15 -2.006 7.448 -1.621 1.00 0.00 C ATOM 168 CG TYR A 15 -0.903 8.270 -0.993 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.680 9.585 -1.384 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.086 7.732 -0.006 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.326 10.339 -0.812 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.922 8.480 0.572 1.00 0.00 C ATOM 173 CZ TYR A 15 1.124 9.783 0.165 1.00 0.00 C ATOM 174 OH TYR A 15 2.127 10.531 0.738 1.00 0.00 O ATOM 0 H TYR A 15 -3.533 6.064 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.203 8.514 -3.479 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.968 7.805 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.906 6.412 -1.296 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.304 10.025 -2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.241 6.712 0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.487 11.359 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.548 8.047 1.338 1.00 0.00 H new ATOM 0 HH TYR A 15 2.595 9.991 1.409 1.00 0.00 H new ATOM 184 N VAL A 16 -0.347 5.776 -3.567 1.00 0.00 N ATOM 185 CA VAL A 16 0.923 5.238 -4.039 1.00 0.00 C ATOM 186 C VAL A 16 0.993 5.248 -5.562 1.00 0.00 C ATOM 187 O VAL A 16 1.892 5.849 -6.149 1.00 0.00 O ATOM 188 CB VAL A 16 1.145 3.799 -3.535 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.568 3.345 -3.826 1.00 0.00 C ATOM 190 CG2 VAL A 16 0.839 3.703 -2.048 1.00 0.00 C ATOM 0 H VAL A 16 -0.969 5.084 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 16 1.707 5.881 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 16 0.462 3.136 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.706 2.327 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.747 3.375 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.272 4.008 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.001 2.680 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.496 4.376 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.199 3.984 -1.871 1.00 0.00 H new ATOM 200 N ARG A 17 0.036 4.579 -6.197 1.00 0.00 N ATOM 201 CA ARG A 17 -0.012 4.509 -7.653 1.00 0.00 C ATOM 202 C ARG A 17 0.450 5.823 -8.274 1.00 0.00 C ATOM 203 O ARG A 17 1.280 5.834 -9.184 1.00 0.00 O ATOM 204 CB ARG A 17 -1.430 4.182 -8.122 1.00 0.00 C ATOM 205 CG ARG A 17 -1.480 3.517 -9.488 1.00 0.00 C ATOM 206 CD ARG A 17 -2.914 3.305 -9.953 1.00 0.00 C ATOM 207 NE ARG A 17 -2.994 3.074 -11.392 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.006 4.050 -12.293 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.941 5.316 -11.906 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.081 3.760 -13.586 1.00 0.00 N ATOM 0 H ARG A 17 -0.717 4.077 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 17 0.662 3.716 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.904 3.527 -7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.015 5.101 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.948 4.133 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.964 2.558 -9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.344 2.454 -9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.512 4.178 -9.692 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.043 2.111 -11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.881 5.543 -10.913 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.950 6.063 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.130 2.787 -13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.090 4.510 -14.277 1.00 0.00 H new ATOM 224 N PHE A 18 -0.091 6.930 -7.777 1.00 0.00 N ATOM 225 CA PHE A 18 0.264 8.251 -8.285 1.00 0.00 C ATOM 226 C PHE A 18 1.697 8.612 -7.903 1.00 0.00 C ATOM 227 O PHE A 18 2.452 9.149 -8.716 1.00 0.00 O ATOM 228 CB PHE A 18 -0.702 9.306 -7.742 1.00 0.00 C ATOM 229 CG PHE A 18 -0.108 10.685 -7.676 1.00 0.00 C ATOM 230 CD1 PHE A 18 0.568 11.107 -6.542 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.226 11.556 -8.746 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.115 12.374 -6.478 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.320 12.824 -8.687 1.00 0.00 C ATOM 234 CZ PHE A 18 0.991 13.234 -7.551 1.00 0.00 C ATOM 0 H PHE A 18 -0.777 6.939 -7.023 1.00 0.00 H new ATOM 0 HA PHE A 18 0.191 8.227 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.591 9.332 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.027 9.011 -6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.668 10.438 -5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.750 11.241 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.639 12.692 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.222 13.494 -9.528 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.418 14.225 -7.502 1.00 0.00 H new ATOM 244 N LEU A 19 2.065 8.316 -6.661 1.00 0.00 N ATOM 245 CA LEU A 19 3.407 8.609 -6.170 1.00 0.00 C ATOM 246 C LEU A 19 4.465 7.986 -7.074 1.00 0.00 C ATOM 247 O LEU A 19 5.473 8.617 -7.391 1.00 0.00 O ATOM 248 CB LEU A 19 3.571 8.093 -4.740 1.00 0.00 C ATOM 249 CG LEU A 19 3.050 9.008 -3.630 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.963 8.253 -2.313 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.942 10.233 -3.488 1.00 0.00 C ATOM 0 H LEU A 19 1.453 7.873 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 19 3.543 9.691 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.061 7.133 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.630 7.906 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 19 2.048 9.342 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.591 8.920 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.283 7.408 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.953 7.889 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.557 10.873 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.956 9.918 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.953 10.786 -4.427 1.00 0.00 H new ATOM 263 N ASN A 20 4.229 6.746 -7.486 1.00 0.00 N ATOM 264 CA ASN A 20 5.162 6.038 -8.354 1.00 0.00 C ATOM 265 C ASN A 20 5.275 6.729 -9.710 1.00 0.00 C ATOM 266 O ASN A 20 6.352 7.179 -10.099 1.00 0.00 O ATOM 267 CB ASN A 20 4.715 4.588 -8.545 1.00 0.00 C ATOM 268 CG ASN A 20 4.264 3.946 -7.247 1.00 0.00 C ATOM 269 OD1 ASN A 20 4.531 4.462 -6.162 1.00 0.00 O ATOM 270 ND2 ASN A 20 3.577 2.814 -7.353 1.00 0.00 N ATOM 0 H ASN A 20 3.399 6.210 -7.233 1.00 0.00 H new ATOM 0 HA ASN A 20 6.142 6.049 -7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.899 4.554 -9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.537 4.010 -8.967 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.248 2.337 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.379 2.422 -8.274 1.00 0.00 H new ATOM 277 N GLU A 21 4.156 6.811 -10.421 1.00 0.00 N ATOM 278 CA GLU A 21 4.130 7.447 -11.733 1.00 0.00 C ATOM 279 C GLU A 21 4.991 8.707 -11.743 1.00 0.00 C ATOM 280 O GLU A 21 5.838 8.885 -12.619 1.00 0.00 O ATOM 281 CB GLU A 21 2.693 7.796 -12.127 1.00 0.00 C ATOM 282 CG GLU A 21 2.541 8.194 -13.585 1.00 0.00 C ATOM 283 CD GLU A 21 3.207 7.213 -14.530 1.00 0.00 C ATOM 284 OE1 GLU A 21 4.419 7.369 -14.790 1.00 0.00 O ATOM 285 OE2 GLU A 21 2.516 6.290 -15.010 1.00 0.00 O ATOM 0 H GLU A 21 3.256 6.445 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 21 4.537 6.743 -12.458 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.051 6.938 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.341 8.613 -11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.481 8.266 -13.830 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.970 9.185 -13.734 1.00 0.00 H new ATOM 292 N ARG A 22 4.768 9.577 -10.765 1.00 0.00 N ATOM 293 CA ARG A 22 5.521 10.821 -10.661 1.00 0.00 C ATOM 294 C ARG A 22 6.963 10.550 -10.240 1.00 0.00 C ATOM 295 O ARG A 22 7.901 11.100 -10.817 1.00 0.00 O ATOM 296 CB ARG A 22 4.856 11.764 -9.658 1.00 0.00 C ATOM 297 CG ARG A 22 3.602 12.438 -10.194 1.00 0.00 C ATOM 298 CD ARG A 22 3.939 13.692 -10.985 1.00 0.00 C ATOM 299 NE ARG A 22 4.550 14.721 -10.147 1.00 0.00 N ATOM 300 CZ ARG A 22 5.230 15.754 -10.632 1.00 0.00 C ATOM 301 NH1 ARG A 22 5.385 15.896 -11.940 1.00 0.00 N ATOM 302 NH2 ARG A 22 5.757 16.649 -9.805 1.00 0.00 N ATOM 0 H ARG A 22 4.071 9.444 -10.032 1.00 0.00 H new ATOM 0 HA ARG A 22 5.529 11.294 -11.643 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.601 11.203 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.572 12.531 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.056 11.741 -10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.943 12.696 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.619 13.436 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.031 14.088 -11.441 1.00 0.00 H new ATOM 0 HE ARG A 22 4.449 14.642 -9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.981 15.211 -12.579 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.908 16.691 -12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.640 16.543 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.279 17.442 -10.177 1.00 0.00 H new ATOM 316 N ARG A 23 7.131 9.700 -9.233 1.00 0.00 N ATOM 317 CA ARG A 23 8.457 9.358 -8.735 1.00 0.00 C ATOM 318 C ARG A 23 9.462 9.269 -9.880 1.00 0.00 C ATOM 319 O ARG A 23 10.558 9.822 -9.799 1.00 0.00 O ATOM 320 CB ARG A 23 8.413 8.029 -7.977 1.00 0.00 C ATOM 321 CG ARG A 23 9.768 7.581 -7.455 1.00 0.00 C ATOM 322 CD ARG A 23 10.500 6.720 -8.471 1.00 0.00 C ATOM 323 NE ARG A 23 10.132 5.311 -8.362 1.00 0.00 N ATOM 324 CZ ARG A 23 10.525 4.523 -7.367 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.296 5.005 -6.401 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.149 3.251 -7.338 1.00 0.00 N ATOM 0 H ARG A 23 6.365 9.235 -8.746 1.00 0.00 H new ATOM 0 HA ARG A 23 8.777 10.147 -8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.722 8.121 -7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.014 7.258 -8.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.373 8.455 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.635 7.020 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.276 7.076 -9.476 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.575 6.826 -8.328 1.00 0.00 H new ATOM 0 HE ARG A 23 9.541 4.910 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.588 5.982 -6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.597 4.399 -5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.558 2.877 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.451 2.647 -6.574 1.00 0.00 H new ATOM 340 N GLU A 24 9.079 8.570 -10.944 1.00 0.00 N ATOM 341 CA GLU A 24 9.948 8.409 -12.104 1.00 0.00 C ATOM 342 C GLU A 24 10.337 9.766 -12.685 1.00 0.00 C ATOM 343 O GLU A 24 11.511 10.029 -12.940 1.00 0.00 O ATOM 344 CB GLU A 24 9.255 7.563 -13.175 1.00 0.00 C ATOM 345 CG GLU A 24 9.908 7.657 -14.543 1.00 0.00 C ATOM 346 CD GLU A 24 9.338 8.780 -15.387 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.109 8.993 -15.336 1.00 0.00 O ATOM 348 OE2 GLU A 24 10.120 9.445 -16.097 1.00 0.00 O ATOM 0 H GLU A 24 8.174 8.107 -11.027 1.00 0.00 H new ATOM 0 HA GLU A 24 10.855 7.899 -11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.250 6.521 -12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.214 7.877 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.980 7.809 -14.420 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.778 6.711 -15.069 1.00 0.00 H new ATOM 355 N GLN A 25 9.341 10.621 -12.892 1.00 0.00 N ATOM 356 CA GLN A 25 9.579 11.951 -13.444 1.00 0.00 C ATOM 357 C GLN A 25 10.661 12.681 -12.656 1.00 0.00 C ATOM 358 O GLN A 25 11.504 13.367 -13.233 1.00 0.00 O ATOM 359 CB GLN A 25 8.286 12.767 -13.437 1.00 0.00 C ATOM 360 CG GLN A 25 7.156 12.125 -14.227 1.00 0.00 C ATOM 361 CD GLN A 25 7.158 12.536 -15.686 1.00 0.00 C ATOM 362 OE1 GLN A 25 8.201 12.538 -16.341 1.00 0.00 O ATOM 363 NE2 GLN A 25 5.987 12.886 -16.204 1.00 0.00 N ATOM 0 H GLN A 25 8.363 10.418 -12.686 1.00 0.00 H new ATOM 0 HA GLN A 25 9.921 11.835 -14.472 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.962 12.910 -12.406 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.488 13.756 -13.847 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.240 11.040 -14.159 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.202 12.399 -13.777 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.148 12.870 -15.625 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.927 13.171 -17.181 1.00 0.00 H new ATOM 372 N ILE A 26 10.628 12.530 -11.336 1.00 0.00 N ATOM 373 CA ILE A 26 11.608 13.176 -10.471 1.00 0.00 C ATOM 374 C ILE A 26 12.995 12.575 -10.664 1.00 0.00 C ATOM 375 O ILE A 26 13.957 13.289 -10.950 1.00 0.00 O ATOM 376 CB ILE A 26 11.212 13.056 -8.986 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.781 13.558 -8.775 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.186 13.833 -8.114 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.561 14.976 -9.257 1.00 0.00 C ATOM 0 H ILE A 26 9.935 11.967 -10.843 1.00 0.00 H new ATOM 0 HA ILE A 26 11.630 14.229 -10.751 1.00 0.00 H new ATOM 0 HB ILE A 26 11.255 12.006 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.091 12.894 -9.296 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.537 13.501 -7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.893 13.739 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.191 13.434 -8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.172 14.884 -8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.526 15.265 -9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.226 15.651 -8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.773 15.034 -10.325 1.00 0.00 H new ATOM 391 N ARG A 27 13.091 11.258 -10.511 1.00 0.00 N ATOM 392 CA ARG A 27 14.361 10.560 -10.670 1.00 0.00 C ATOM 393 C ARG A 27 15.121 11.087 -11.884 1.00 0.00 C ATOM 394 O ARG A 27 16.347 11.206 -11.860 1.00 0.00 O ATOM 395 CB ARG A 27 14.126 9.056 -10.816 1.00 0.00 C ATOM 396 CG ARG A 27 13.841 8.355 -9.497 1.00 0.00 C ATOM 397 CD ARG A 27 15.125 8.026 -8.752 1.00 0.00 C ATOM 398 NE ARG A 27 15.682 6.740 -9.161 1.00 0.00 N ATOM 399 CZ ARG A 27 16.519 6.030 -8.413 1.00 0.00 C ATOM 400 NH1 ARG A 27 16.894 6.479 -7.223 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.983 4.867 -8.855 1.00 0.00 N ATOM 0 H ARG A 27 12.304 10.653 -10.277 1.00 0.00 H new ATOM 0 HA ARG A 27 14.962 10.742 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.289 8.891 -11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.003 8.602 -11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.211 8.990 -8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.283 7.438 -9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.859 8.812 -8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.928 8.011 -7.680 1.00 0.00 H new ATOM 0 HE ARG A 27 15.414 6.366 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.540 7.372 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.537 5.932 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.697 4.518 -9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.626 4.323 -8.280 1.00 0.00 H new ATOM 415 N THR A 28 14.386 11.400 -12.947 1.00 0.00 N ATOM 416 CA THR A 28 14.990 11.912 -14.170 1.00 0.00 C ATOM 417 C THR A 28 15.601 13.291 -13.947 1.00 0.00 C ATOM 418 O THR A 28 16.721 13.561 -14.379 1.00 0.00 O ATOM 419 CB THR A 28 13.960 11.997 -15.312 1.00 0.00 C ATOM 420 OG1 THR A 28 13.245 10.761 -15.420 1.00 0.00 O ATOM 421 CG2 THR A 28 14.643 12.310 -16.635 1.00 0.00 C ATOM 0 H THR A 28 13.371 11.308 -12.985 1.00 0.00 H new ATOM 0 HA THR A 28 15.776 11.211 -14.451 1.00 0.00 H new ATOM 0 HB THR A 28 13.262 12.802 -15.082 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.622 10.677 -14.668 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.895 12.365 -17.426 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.162 13.265 -16.559 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.361 11.524 -16.869 1.00 0.00 H new ATOM 429 N ARG A 29 14.856 14.160 -13.271 1.00 0.00 N ATOM 430 CA ARG A 29 15.324 15.512 -12.992 1.00 0.00 C ATOM 431 C ARG A 29 16.430 15.498 -11.942 1.00 0.00 C ATOM 432 O ARG A 29 17.524 16.015 -12.169 1.00 0.00 O ATOM 433 CB ARG A 29 14.164 16.387 -12.515 1.00 0.00 C ATOM 434 CG ARG A 29 13.367 17.013 -13.648 1.00 0.00 C ATOM 435 CD ARG A 29 12.374 16.025 -14.242 1.00 0.00 C ATOM 436 NE ARG A 29 12.064 16.333 -15.635 1.00 0.00 N ATOM 437 CZ ARG A 29 11.205 15.633 -16.368 1.00 0.00 C ATOM 438 NH1 ARG A 29 10.573 14.593 -15.842 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.976 15.974 -17.630 1.00 0.00 N ATOM 0 H ARG A 29 13.926 13.952 -12.907 1.00 0.00 H new ATOM 0 HA ARG A 29 15.728 15.928 -13.915 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.495 15.785 -11.901 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.556 17.179 -11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.834 17.889 -13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.048 17.359 -14.426 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.782 15.016 -14.176 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.456 16.036 -13.655 1.00 0.00 H new ATOM 0 HE ARG A 29 12.532 17.129 -16.069 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.746 14.328 -14.872 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.914 14.057 -16.407 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.460 16.774 -18.038 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.316 15.436 -18.192 1.00 0.00 H new ATOM 453 N HIS A 30 16.138 14.902 -10.790 1.00 0.00 N ATOM 454 CA HIS A 30 17.108 14.821 -9.703 1.00 0.00 C ATOM 455 C HIS A 30 17.448 13.368 -9.385 1.00 0.00 C ATOM 456 O HIS A 30 16.914 12.770 -8.450 1.00 0.00 O ATOM 457 CB HIS A 30 16.566 15.515 -8.454 1.00 0.00 C ATOM 458 CG HIS A 30 15.779 16.755 -8.750 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.364 17.987 -8.948 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.446 16.946 -8.884 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.425 18.884 -9.190 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.251 18.278 -9.156 1.00 0.00 N ATOM 0 H HIS A 30 15.238 14.468 -10.585 1.00 0.00 H new ATOM 0 HA HIS A 30 18.019 15.327 -10.024 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.934 14.816 -7.906 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.400 15.771 -7.800 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.678 16.192 -8.794 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.589 19.934 -9.383 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.347 18.726 -9.307 1.00 0.00 H new ATOM 471 N PRO A 31 18.355 12.783 -10.181 1.00 0.00 N ATOM 472 CA PRO A 31 18.785 11.393 -10.005 1.00 0.00 C ATOM 473 C PRO A 31 19.623 11.202 -8.745 1.00 0.00 C ATOM 474 O PRO A 31 20.049 10.089 -8.435 1.00 0.00 O ATOM 475 CB PRO A 31 19.628 11.121 -11.254 1.00 0.00 C ATOM 476 CG PRO A 31 20.118 12.462 -11.680 1.00 0.00 C ATOM 477 CD PRO A 31 19.031 13.436 -11.316 1.00 0.00 C ATOM 0 HA PRO A 31 17.939 10.716 -9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.457 10.448 -11.033 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.035 10.649 -12.037 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.052 12.714 -11.177 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.317 12.482 -12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.439 14.407 -11.036 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.347 13.605 -12.148 1.00 0.00 H new ATOM 485 N ASP A 32 19.855 12.292 -8.023 1.00 0.00 N ATOM 486 CA ASP A 32 20.640 12.243 -6.795 1.00 0.00 C ATOM 487 C ASP A 32 19.732 12.212 -5.570 1.00 0.00 C ATOM 488 O ASP A 32 20.077 11.626 -4.543 1.00 0.00 O ATOM 489 CB ASP A 32 21.581 13.447 -6.718 1.00 0.00 C ATOM 490 CG ASP A 32 20.940 14.717 -7.244 1.00 0.00 C ATOM 491 OD1 ASP A 32 19.696 14.811 -7.209 1.00 0.00 O ATOM 492 OD2 ASP A 32 21.684 15.615 -7.690 1.00 0.00 O ATOM 0 H ASP A 32 19.511 13.221 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 32 21.233 11.328 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 32 21.887 13.600 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.485 13.236 -7.290 1.00 0.00 H new ATOM 497 N LEU A 33 18.571 12.848 -5.684 1.00 0.00 N ATOM 498 CA LEU A 33 17.613 12.894 -4.585 1.00 0.00 C ATOM 499 C LEU A 33 17.300 11.491 -4.076 1.00 0.00 C ATOM 500 O LEU A 33 16.783 10.641 -4.801 1.00 0.00 O ATOM 501 CB LEU A 33 16.324 13.585 -5.035 1.00 0.00 C ATOM 502 CG LEU A 33 16.354 15.114 -5.052 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.944 15.673 -5.178 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.032 15.649 -3.800 1.00 0.00 C ATOM 0 H LEU A 33 18.270 13.339 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 33 18.059 13.465 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.079 13.235 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.515 13.264 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 33 16.931 15.438 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.984 16.762 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.493 15.317 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.344 15.340 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.044 16.739 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.484 15.316 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.055 15.276 -3.753 1.00 0.00 H new ATOM 516 N PRO A 34 17.617 11.241 -2.797 1.00 0.00 N ATOM 517 CA PRO A 34 17.377 9.943 -2.160 1.00 0.00 C ATOM 518 C PRO A 34 15.892 9.668 -1.948 1.00 0.00 C ATOM 519 O PRO A 34 15.067 10.580 -2.004 1.00 0.00 O ATOM 520 CB PRO A 34 18.095 10.068 -0.814 1.00 0.00 C ATOM 521 CG PRO A 34 18.121 11.531 -0.534 1.00 0.00 C ATOM 522 CD PRO A 34 18.236 12.207 -1.873 1.00 0.00 C ATOM 0 HA PRO A 34 17.735 9.116 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.566 9.524 -0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.103 9.656 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.216 11.845 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.963 11.791 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.716 13.165 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.275 12.405 -2.135 1.00 0.00 H new ATOM 530 N PHE A 35 15.557 8.405 -1.703 1.00 0.00 N ATOM 531 CA PHE A 35 14.171 8.010 -1.482 1.00 0.00 C ATOM 532 C PHE A 35 13.451 9.024 -0.598 1.00 0.00 C ATOM 533 O PHE A 35 12.436 9.607 -0.979 1.00 0.00 O ATOM 534 CB PHE A 35 14.110 6.623 -0.841 1.00 0.00 C ATOM 535 CG PHE A 35 12.931 6.435 0.071 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.655 6.778 -0.344 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.101 5.916 1.345 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.569 6.607 0.493 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.018 5.742 2.187 1.00 0.00 C ATOM 540 CZ PHE A 35 10.752 6.088 1.760 1.00 0.00 C ATOM 0 H PHE A 35 16.227 7.638 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 35 13.670 7.977 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.074 5.869 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.027 6.452 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.507 7.184 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.090 5.645 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.579 6.879 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.163 5.336 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.905 5.953 2.416 1.00 0.00 H new ATOM 550 N PRO A 36 13.988 9.239 0.612 1.00 0.00 N ATOM 551 CA PRO A 36 13.414 10.182 1.576 1.00 0.00 C ATOM 552 C PRO A 36 13.578 11.633 1.137 1.00 0.00 C ATOM 553 O PRO A 36 13.490 12.550 1.952 1.00 0.00 O ATOM 554 CB PRO A 36 14.216 9.915 2.853 1.00 0.00 C ATOM 555 CG PRO A 36 15.514 9.361 2.377 1.00 0.00 C ATOM 556 CD PRO A 36 15.197 8.579 1.132 1.00 0.00 C ATOM 0 HA PRO A 36 12.340 10.041 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.363 10.830 3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.700 9.210 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.226 10.159 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.967 8.722 3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.016 8.618 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.017 7.527 1.353 1.00 0.00 H new ATOM 564 N GLU A 37 13.818 11.832 -0.154 1.00 0.00 N ATOM 565 CA GLU A 37 13.994 13.172 -0.701 1.00 0.00 C ATOM 566 C GLU A 37 13.128 13.374 -1.941 1.00 0.00 C ATOM 567 O GLU A 37 12.750 14.497 -2.272 1.00 0.00 O ATOM 568 CB GLU A 37 15.465 13.416 -1.048 1.00 0.00 C ATOM 569 CG GLU A 37 16.267 14.019 0.093 1.00 0.00 C ATOM 570 CD GLU A 37 16.095 15.523 0.196 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.851 16.165 -0.846 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.204 16.055 1.320 1.00 0.00 O ATOM 0 H GLU A 37 13.895 11.082 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 37 13.682 13.889 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.922 12.471 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.521 14.080 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.961 13.557 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.323 13.786 -0.047 1.00 0.00 H new ATOM 579 N ILE A 38 12.818 12.276 -2.623 1.00 0.00 N ATOM 580 CA ILE A 38 11.996 12.331 -3.826 1.00 0.00 C ATOM 581 C ILE A 38 10.512 12.317 -3.478 1.00 0.00 C ATOM 582 O ILE A 38 9.694 12.924 -4.170 1.00 0.00 O ATOM 583 CB ILE A 38 12.302 11.154 -4.771 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.720 11.279 -5.333 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.281 11.102 -5.898 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.183 10.050 -6.083 1.00 0.00 C ATOM 0 H ILE A 38 13.124 11.338 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 38 12.239 13.265 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 38 12.237 10.225 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.763 12.140 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.411 11.476 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.510 10.265 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.283 10.971 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.318 12.032 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.196 10.210 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.173 9.190 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.515 9.864 -6.924 1.00 0.00 H new ATOM 598 N THR A 39 10.168 11.620 -2.399 1.00 0.00 N ATOM 599 CA THR A 39 8.783 11.527 -1.958 1.00 0.00 C ATOM 600 C THR A 39 8.310 12.841 -1.347 1.00 0.00 C ATOM 601 O THR A 39 7.216 13.320 -1.648 1.00 0.00 O ATOM 602 CB THR A 39 8.596 10.397 -0.927 1.00 0.00 C ATOM 603 OG1 THR A 39 8.727 9.123 -1.566 1.00 0.00 O ATOM 604 CG2 THR A 39 7.234 10.497 -0.257 1.00 0.00 C ATOM 0 H THR A 39 10.831 11.111 -1.814 1.00 0.00 H new ATOM 0 HA THR A 39 8.185 11.305 -2.842 1.00 0.00 H new ATOM 0 HB THR A 39 9.368 10.500 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.608 8.411 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.124 9.689 0.467 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.149 11.456 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.451 10.417 -1.011 1.00 0.00 H new ATOM 612 N LYS A 40 9.140 13.420 -0.487 1.00 0.00 N ATOM 613 CA LYS A 40 8.809 14.681 0.166 1.00 0.00 C ATOM 614 C LYS A 40 8.350 15.718 -0.855 1.00 0.00 C ATOM 615 O LYS A 40 7.579 16.620 -0.532 1.00 0.00 O ATOM 616 CB LYS A 40 10.020 15.213 0.938 1.00 0.00 C ATOM 617 CG LYS A 40 11.129 15.738 0.045 1.00 0.00 C ATOM 618 CD LYS A 40 12.146 16.544 0.835 1.00 0.00 C ATOM 619 CE LYS A 40 13.013 17.397 -0.080 1.00 0.00 C ATOM 620 NZ LYS A 40 13.842 18.367 0.689 1.00 0.00 N ATOM 0 H LYS A 40 10.048 13.036 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 40 7.992 14.496 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.693 16.011 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.418 14.416 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.628 14.903 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.701 16.361 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.629 17.185 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.778 15.869 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.663 16.751 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.378 17.938 -0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.418 18.929 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.221 19.000 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.466 17.850 1.341 1.00 0.00 H new ATOM 634 N MET A 41 8.829 15.582 -2.087 1.00 0.00 N ATOM 635 CA MET A 41 8.464 16.506 -3.154 1.00 0.00 C ATOM 636 C MET A 41 7.123 16.121 -3.772 1.00 0.00 C ATOM 637 O MET A 41 6.273 16.977 -4.020 1.00 0.00 O ATOM 638 CB MET A 41 9.549 16.525 -4.233 1.00 0.00 C ATOM 639 CG MET A 41 10.818 17.245 -3.805 1.00 0.00 C ATOM 640 SD MET A 41 11.671 18.029 -5.187 1.00 0.00 S ATOM 641 CE MET A 41 11.967 16.616 -6.248 1.00 0.00 C ATOM 0 H MET A 41 9.470 14.841 -2.371 1.00 0.00 H new ATOM 0 HA MET A 41 8.372 17.503 -2.723 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.797 15.499 -4.506 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.152 17.005 -5.127 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.569 18.001 -3.061 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.490 16.534 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.961 16.694 -6.689 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.901 15.700 -5.661 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.219 16.593 -7.041 1.00 0.00 H new ATOM 651 N LEU A 42 6.941 14.828 -4.019 1.00 0.00 N ATOM 652 CA LEU A 42 5.703 14.329 -4.609 1.00 0.00 C ATOM 653 C LEU A 42 4.517 14.585 -3.683 1.00 0.00 C ATOM 654 O LEU A 42 3.466 15.051 -4.120 1.00 0.00 O ATOM 655 CB LEU A 42 5.821 12.832 -4.902 1.00 0.00 C ATOM 656 CG LEU A 42 6.915 12.428 -5.892 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.044 10.914 -5.953 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.621 12.996 -7.272 1.00 0.00 C ATOM 0 H LEU A 42 7.634 14.107 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 42 5.534 14.864 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.999 12.311 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.863 12.480 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 42 7.863 12.840 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.827 10.644 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.301 10.531 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.097 10.481 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.409 12.699 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.664 12.613 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.579 14.084 -7.216 1.00 0.00 H new ATOM 670 N GLY A 43 4.697 14.279 -2.402 1.00 0.00 N ATOM 671 CA GLY A 43 3.634 14.484 -1.435 1.00 0.00 C ATOM 672 C GLY A 43 2.935 15.817 -1.615 1.00 0.00 C ATOM 673 O GLY A 43 1.707 15.878 -1.676 1.00 0.00 O ATOM 0 H GLY A 43 5.559 13.893 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.904 13.679 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.047 14.427 -0.428 1.00 0.00 H new ATOM 677 N ALA A 44 3.718 16.887 -1.702 1.00 0.00 N ATOM 678 CA ALA A 44 3.166 18.225 -1.876 1.00 0.00 C ATOM 679 C ALA A 44 2.194 18.268 -3.050 1.00 0.00 C ATOM 680 O ALA A 44 1.157 18.928 -2.985 1.00 0.00 O ATOM 681 CB ALA A 44 4.286 19.235 -2.079 1.00 0.00 C ATOM 0 H ALA A 44 4.736 16.854 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 44 2.616 18.486 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.860 20.230 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.942 19.231 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.860 18.969 -2.967 1.00 0.00 H new ATOM 687 N GLU A 45 2.537 17.562 -4.123 1.00 0.00 N ATOM 688 CA GLU A 45 1.694 17.522 -5.313 1.00 0.00 C ATOM 689 C GLU A 45 0.344 16.883 -5.001 1.00 0.00 C ATOM 690 O GLU A 45 -0.702 17.376 -5.425 1.00 0.00 O ATOM 691 CB GLU A 45 2.390 16.749 -6.434 1.00 0.00 C ATOM 692 CG GLU A 45 3.778 17.274 -6.764 1.00 0.00 C ATOM 693 CD GLU A 45 3.742 18.464 -7.704 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.689 18.247 -8.932 1.00 0.00 O ATOM 695 OE2 GLU A 45 3.769 19.611 -7.211 1.00 0.00 O ATOM 0 H GLU A 45 3.392 17.010 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 45 1.525 18.547 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.466 15.700 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.772 16.791 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.284 17.559 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.367 16.476 -7.216 1.00 0.00 H new ATOM 702 N TRP A 46 0.375 15.782 -4.259 1.00 0.00 N ATOM 703 CA TRP A 46 -0.846 15.073 -3.891 1.00 0.00 C ATOM 704 C TRP A 46 -1.819 16.001 -3.174 1.00 0.00 C ATOM 705 O TRP A 46 -3.033 15.888 -3.338 1.00 0.00 O ATOM 706 CB TRP A 46 -0.514 13.874 -3.000 1.00 0.00 C ATOM 707 CG TRP A 46 -1.730 13.174 -2.472 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.178 13.171 -1.182 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.650 12.372 -3.220 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.322 12.416 -1.084 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.633 11.916 -2.320 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.741 11.997 -4.564 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.691 11.104 -2.722 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.791 11.191 -4.960 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.755 10.752 -4.043 1.00 0.00 C ATOM 0 H TRP A 46 1.232 15.361 -3.900 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.320 14.717 -4.806 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.088 13.164 -3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.096 14.211 -2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.703 13.686 -0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.854 12.254 -0.229 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.004 12.331 -5.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.435 10.764 -2.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.870 10.894 -5.995 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.564 10.124 -4.385 1.00 0.00 H new ATOM 726 N SER A 47 -1.278 16.920 -2.380 1.00 0.00 N ATOM 727 CA SER A 47 -2.100 17.866 -1.634 1.00 0.00 C ATOM 728 C SER A 47 -2.600 18.984 -2.543 1.00 0.00 C ATOM 729 O SER A 47 -3.692 19.518 -2.347 1.00 0.00 O ATOM 730 CB SER A 47 -1.305 18.457 -0.468 1.00 0.00 C ATOM 731 OG SER A 47 -2.101 19.351 0.290 1.00 0.00 O ATOM 0 H SER A 47 -0.274 17.029 -2.237 1.00 0.00 H new ATOM 0 HA SER A 47 -2.962 17.329 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.943 17.654 0.174 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.428 18.980 -0.850 1.00 0.00 H new ATOM 0 HG SER A 47 -1.571 19.714 1.030 1.00 0.00 H new ATOM 737 N LYS A 48 -1.793 19.335 -3.538 1.00 0.00 N ATOM 738 CA LYS A 48 -2.151 20.389 -4.480 1.00 0.00 C ATOM 739 C LYS A 48 -2.814 19.805 -5.723 1.00 0.00 C ATOM 740 O LYS A 48 -2.849 20.441 -6.778 1.00 0.00 O ATOM 741 CB LYS A 48 -0.908 21.187 -4.881 1.00 0.00 C ATOM 742 CG LYS A 48 -0.193 21.830 -3.704 1.00 0.00 C ATOM 743 CD LYS A 48 1.106 22.491 -4.136 1.00 0.00 C ATOM 744 CE LYS A 48 2.240 21.483 -4.229 1.00 0.00 C ATOM 745 NZ LYS A 48 3.566 22.150 -4.356 1.00 0.00 N ATOM 0 H LYS A 48 -0.885 18.904 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.861 21.055 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.214 20.526 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.198 21.964 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.844 22.572 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.016 21.074 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.966 22.973 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.371 23.274 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.236 20.849 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.077 20.832 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.313 21.429 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.579 22.735 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.733 22.752 -3.525 1.00 0.00 H new ATOM 759 N LEU A 49 -3.342 18.593 -5.592 1.00 0.00 N ATOM 760 CA LEU A 49 -4.008 17.924 -6.705 1.00 0.00 C ATOM 761 C LEU A 49 -5.433 18.441 -6.878 1.00 0.00 C ATOM 762 O LEU A 49 -6.057 18.897 -5.920 1.00 0.00 O ATOM 763 CB LEU A 49 -4.025 16.412 -6.479 1.00 0.00 C ATOM 764 CG LEU A 49 -2.854 15.630 -7.074 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.030 14.139 -6.836 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.718 15.922 -8.561 1.00 0.00 C ATOM 0 H LEU A 49 -3.322 18.053 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.450 18.143 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.052 16.226 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.950 16.013 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.939 15.950 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.186 13.600 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.076 13.945 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.954 13.802 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.879 15.357 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.635 15.631 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.542 16.988 -8.708 1.00 0.00 H new ATOM 778 N GLN A 50 -5.940 18.364 -8.104 1.00 0.00 N ATOM 779 CA GLN A 50 -7.292 18.822 -8.400 1.00 0.00 C ATOM 780 C GLN A 50 -8.330 17.921 -7.739 1.00 0.00 C ATOM 781 O GLN A 50 -8.082 16.748 -7.459 1.00 0.00 O ATOM 782 CB GLN A 50 -7.521 18.858 -9.912 1.00 0.00 C ATOM 783 CG GLN A 50 -6.682 19.904 -10.629 1.00 0.00 C ATOM 784 CD GLN A 50 -5.349 19.359 -11.103 1.00 0.00 C ATOM 785 OE1 GLN A 50 -5.225 18.172 -11.410 1.00 0.00 O ATOM 786 NE2 GLN A 50 -4.343 20.223 -11.166 1.00 0.00 N ATOM 0 H GLN A 50 -5.436 17.989 -8.907 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.403 19.829 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.297 17.876 -10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.575 19.054 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.239 20.287 -11.485 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.508 20.746 -9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.490 21.197 -10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.423 19.913 -11.478 1.00 0.00 H new ATOM 795 N PRO A 51 -9.522 18.481 -7.482 1.00 0.00 N ATOM 796 CA PRO A 51 -10.622 17.746 -6.850 1.00 0.00 C ATOM 797 C PRO A 51 -11.210 16.680 -7.769 1.00 0.00 C ATOM 798 O PRO A 51 -12.189 16.021 -7.422 1.00 0.00 O ATOM 799 CB PRO A 51 -11.658 18.835 -6.562 1.00 0.00 C ATOM 800 CG PRO A 51 -11.374 19.901 -7.563 1.00 0.00 C ATOM 801 CD PRO A 51 -9.888 19.874 -7.789 1.00 0.00 C ATOM 0 HA PRO A 51 -10.294 17.206 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.674 18.453 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.563 19.212 -5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.913 19.717 -8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.695 20.876 -7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.633 20.140 -8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.370 20.578 -7.139 1.00 0.00 H new ATOM 809 N ALA A 52 -10.605 16.517 -8.941 1.00 0.00 N ATOM 810 CA ALA A 52 -11.068 15.530 -9.909 1.00 0.00 C ATOM 811 C ALA A 52 -10.031 14.430 -10.111 1.00 0.00 C ATOM 812 O ALA A 52 -10.377 13.273 -10.341 1.00 0.00 O ATOM 813 CB ALA A 52 -11.393 16.202 -11.234 1.00 0.00 C ATOM 0 H ALA A 52 -9.793 17.056 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.975 15.070 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.737 15.453 -11.947 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.175 16.946 -11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.499 16.690 -11.623 1.00 0.00 H new ATOM 819 N GLU A 53 -8.757 14.802 -10.024 1.00 0.00 N ATOM 820 CA GLU A 53 -7.670 13.847 -10.199 1.00 0.00 C ATOM 821 C GLU A 53 -7.425 13.059 -8.916 1.00 0.00 C ATOM 822 O GLU A 53 -7.429 11.828 -8.919 1.00 0.00 O ATOM 823 CB GLU A 53 -6.387 14.570 -10.618 1.00 0.00 C ATOM 824 CG GLU A 53 -6.565 15.469 -11.829 1.00 0.00 C ATOM 825 CD GLU A 53 -7.114 14.727 -13.032 1.00 0.00 C ATOM 826 OE1 GLU A 53 -8.354 14.659 -13.173 1.00 0.00 O ATOM 827 OE2 GLU A 53 -6.304 14.215 -13.833 1.00 0.00 O ATOM 0 H GLU A 53 -8.453 15.757 -9.834 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.959 13.149 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.027 15.168 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.617 13.830 -10.835 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.238 16.287 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.605 15.915 -12.089 1.00 0.00 H new ATOM 834 N LYS A 54 -7.213 13.777 -7.819 1.00 0.00 N ATOM 835 CA LYS A 54 -6.968 13.148 -6.527 1.00 0.00 C ATOM 836 C LYS A 54 -8.004 12.066 -6.243 1.00 0.00 C ATOM 837 O LYS A 54 -7.723 11.093 -5.542 1.00 0.00 O ATOM 838 CB LYS A 54 -6.992 14.197 -5.412 1.00 0.00 C ATOM 839 CG LYS A 54 -6.224 13.782 -4.169 1.00 0.00 C ATOM 840 CD LYS A 54 -6.817 14.400 -2.914 1.00 0.00 C ATOM 841 CE LYS A 54 -5.753 14.638 -1.854 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.133 15.986 -1.982 1.00 0.00 N ATOM 0 H LYS A 54 -7.206 14.797 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.983 12.683 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.574 15.129 -5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.027 14.400 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.234 12.696 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.181 14.084 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.299 15.345 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.590 13.744 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.198 14.535 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.980 13.874 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.186 16.481 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.137 15.885 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.642 16.535 -2.703 1.00 0.00 H new ATOM 856 N GLN A 55 -9.202 12.240 -6.793 1.00 0.00 N ATOM 857 CA GLN A 55 -10.279 11.277 -6.598 1.00 0.00 C ATOM 858 C GLN A 55 -10.177 10.136 -7.606 1.00 0.00 C ATOM 859 O GLN A 55 -10.270 8.964 -7.242 1.00 0.00 O ATOM 860 CB GLN A 55 -11.638 11.968 -6.728 1.00 0.00 C ATOM 861 CG GLN A 55 -12.810 11.085 -6.328 1.00 0.00 C ATOM 862 CD GLN A 55 -12.892 10.867 -4.830 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.953 11.821 -4.055 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.895 9.606 -4.414 1.00 0.00 N ATOM 0 H GLN A 55 -9.451 13.039 -7.377 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.185 10.861 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.641 12.865 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.774 12.293 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.738 11.539 -6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.720 10.120 -6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.843 8.845 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.949 9.398 -3.417 1.00 0.00 H new ATOM 873 N ARG A 56 -9.987 10.488 -8.873 1.00 0.00 N ATOM 874 CA ARG A 56 -9.875 9.493 -9.933 1.00 0.00 C ATOM 875 C ARG A 56 -8.776 8.482 -9.616 1.00 0.00 C ATOM 876 O ARG A 56 -8.869 7.313 -9.989 1.00 0.00 O ATOM 877 CB ARG A 56 -9.584 10.174 -11.273 1.00 0.00 C ATOM 878 CG ARG A 56 -9.065 9.224 -12.339 1.00 0.00 C ATOM 879 CD ARG A 56 -7.551 9.094 -12.280 1.00 0.00 C ATOM 880 NE ARG A 56 -6.881 10.128 -13.064 1.00 0.00 N ATOM 881 CZ ARG A 56 -6.867 10.148 -14.392 1.00 0.00 C ATOM 882 NH1 ARG A 56 -7.482 9.196 -15.080 1.00 0.00 N ATOM 883 NH2 ARG A 56 -6.236 11.122 -15.036 1.00 0.00 N ATOM 0 H ARG A 56 -9.907 11.454 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.825 8.963 -10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.496 10.649 -11.635 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.852 10.966 -11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.521 8.243 -12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.362 9.583 -13.324 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.222 9.156 -11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.257 8.112 -12.650 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.398 10.875 -12.565 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.968 8.445 -14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.469 9.214 -16.100 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.761 11.856 -14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.226 11.136 -16.056 1.00 0.00 H new ATOM 897 N TYR A 57 -7.738 8.942 -8.926 1.00 0.00 N ATOM 898 CA TYR A 57 -6.622 8.079 -8.561 1.00 0.00 C ATOM 899 C TYR A 57 -7.065 7.000 -7.577 1.00 0.00 C ATOM 900 O TYR A 57 -6.743 5.822 -7.740 1.00 0.00 O ATOM 901 CB TYR A 57 -5.489 8.906 -7.951 1.00 0.00 C ATOM 902 CG TYR A 57 -4.574 9.532 -8.981 1.00 0.00 C ATOM 903 CD1 TYR A 57 -4.021 8.769 -10.002 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.264 10.884 -8.932 1.00 0.00 C ATOM 905 CE1 TYR A 57 -3.185 9.336 -10.944 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.430 11.461 -9.871 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.892 10.682 -10.874 1.00 0.00 C ATOM 908 OH TYR A 57 -2.061 11.251 -11.811 1.00 0.00 O ATOM 0 H TYR A 57 -7.647 9.907 -8.609 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.262 7.592 -9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.918 9.694 -7.332 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.899 8.269 -7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.249 7.715 -10.060 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.682 11.496 -8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.763 8.729 -11.731 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.201 12.515 -9.820 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.958 12.207 -11.620 1.00 0.00 H new ATOM 918 N LEU A 58 -7.806 7.412 -6.554 1.00 0.00 N ATOM 919 CA LEU A 58 -8.295 6.482 -5.541 1.00 0.00 C ATOM 920 C LEU A 58 -9.074 5.338 -6.184 1.00 0.00 C ATOM 921 O LEU A 58 -8.830 4.167 -5.893 1.00 0.00 O ATOM 922 CB LEU A 58 -9.183 7.215 -4.534 1.00 0.00 C ATOM 923 CG LEU A 58 -8.600 8.494 -3.933 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.688 9.306 -3.247 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.482 8.163 -2.956 1.00 0.00 C ATOM 0 H LEU A 58 -8.081 8.383 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.434 6.064 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.125 7.464 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.418 6.529 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.183 9.095 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.254 10.213 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.454 9.575 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.136 8.713 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.079 9.086 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.874 7.541 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.691 7.625 -3.478 1.00 0.00 H new ATOM 937 N ASP A 59 -10.010 5.685 -7.060 1.00 0.00 N ATOM 938 CA ASP A 59 -10.823 4.687 -7.746 1.00 0.00 C ATOM 939 C ASP A 59 -9.947 3.732 -8.549 1.00 0.00 C ATOM 940 O ASP A 59 -9.959 2.522 -8.319 1.00 0.00 O ATOM 941 CB ASP A 59 -11.833 5.369 -8.670 1.00 0.00 C ATOM 942 CG ASP A 59 -12.910 4.418 -9.153 1.00 0.00 C ATOM 943 OD1 ASP A 59 -12.655 3.195 -9.176 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.007 4.896 -9.508 1.00 0.00 O ATOM 0 H ASP A 59 -10.225 6.650 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.361 4.112 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.298 6.202 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.310 5.787 -9.530 1.00 0.00 H new ATOM 949 N GLU A 60 -9.186 4.283 -9.491 1.00 0.00 N ATOM 950 CA GLU A 60 -8.305 3.477 -10.328 1.00 0.00 C ATOM 951 C GLU A 60 -7.706 2.321 -9.533 1.00 0.00 C ATOM 952 O GLU A 60 -7.713 1.176 -9.983 1.00 0.00 O ATOM 953 CB GLU A 60 -7.187 4.344 -10.910 1.00 0.00 C ATOM 954 CG GLU A 60 -7.587 5.086 -12.174 1.00 0.00 C ATOM 955 CD GLU A 60 -7.437 4.239 -13.422 1.00 0.00 C ATOM 956 OE1 GLU A 60 -7.600 3.004 -13.323 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.155 4.809 -14.497 1.00 0.00 O ATOM 0 H GLU A 60 -9.162 5.283 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.898 3.064 -11.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.872 5.068 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.325 3.713 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.623 5.415 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.975 5.983 -12.273 1.00 0.00 H new ATOM 964 N ALA A 61 -7.190 2.630 -8.349 1.00 0.00 N ATOM 965 CA ALA A 61 -6.589 1.618 -7.490 1.00 0.00 C ATOM 966 C ALA A 61 -7.628 0.604 -7.023 1.00 0.00 C ATOM 967 O ALA A 61 -7.380 -0.600 -7.029 1.00 0.00 O ATOM 968 CB ALA A 61 -5.913 2.272 -6.294 1.00 0.00 C ATOM 0 H ALA A 61 -7.176 3.574 -7.962 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.837 1.086 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.469 1.503 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.134 2.950 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.651 2.832 -5.720 1.00 0.00 H new ATOM 974 N GLU A 62 -8.793 1.103 -6.620 1.00 0.00 N ATOM 975 CA GLU A 62 -9.870 0.240 -6.148 1.00 0.00 C ATOM 976 C GLU A 62 -10.154 -0.873 -7.153 1.00 0.00 C ATOM 977 O GLU A 62 -10.092 -2.057 -6.822 1.00 0.00 O ATOM 978 CB GLU A 62 -11.140 1.058 -5.904 1.00 0.00 C ATOM 979 CG GLU A 62 -11.065 1.942 -4.670 1.00 0.00 C ATOM 980 CD GLU A 62 -12.433 2.374 -4.179 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.114 3.125 -4.908 1.00 0.00 O ATOM 982 OE2 GLU A 62 -12.822 1.961 -3.066 1.00 0.00 O ATOM 0 H GLU A 62 -9.015 2.099 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.553 -0.213 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.334 1.682 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.986 0.379 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.550 1.405 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.468 2.826 -4.896 1.00 0.00 H new ATOM 989 N LYS A 63 -10.469 -0.484 -8.385 1.00 0.00 N ATOM 990 CA LYS A 63 -10.763 -1.446 -9.440 1.00 0.00 C ATOM 991 C LYS A 63 -9.831 -2.650 -9.354 1.00 0.00 C ATOM 992 O LYS A 63 -10.279 -3.795 -9.358 1.00 0.00 O ATOM 993 CB LYS A 63 -10.633 -0.784 -10.813 1.00 0.00 C ATOM 994 CG LYS A 63 -11.726 0.231 -11.106 1.00 0.00 C ATOM 995 CD LYS A 63 -11.275 1.256 -12.133 1.00 0.00 C ATOM 996 CE LYS A 63 -11.972 2.592 -11.929 1.00 0.00 C ATOM 997 NZ LYS A 63 -12.121 3.341 -13.207 1.00 0.00 N ATOM 0 H LYS A 63 -10.527 0.492 -8.677 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.788 -1.792 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.663 -0.290 -10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.650 -1.556 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.614 -0.285 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.009 0.739 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.196 1.393 -12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.485 0.884 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.955 2.425 -11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.404 3.194 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.601 4.246 -13.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.182 3.523 -13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.685 2.778 -13.875 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.531 -2.381 -9.276 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.536 -3.444 -9.188 1.00 0.00 C ATOM 1013 C GLU A 64 -7.776 -4.315 -7.959 1.00 0.00 C ATOM 1014 O GLU A 64 -7.773 -5.543 -8.043 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.126 -2.850 -9.138 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.547 -2.544 -10.509 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.119 -3.793 -11.255 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -6.003 -4.515 -11.759 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -3.898 -4.049 -11.334 1.00 0.00 O ATOM 0 H GLU A 64 -8.143 -1.438 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.629 -4.068 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.147 -1.933 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.466 -3.546 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.289 -2.008 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.689 -1.881 -10.397 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.985 -3.669 -6.816 1.00 0.00 N ATOM 1027 CA LYS A 65 -8.228 -4.383 -5.567 1.00 0.00 C ATOM 1028 C LYS A 65 -9.195 -5.542 -5.783 1.00 0.00 C ATOM 1029 O LYS A 65 -8.908 -6.679 -5.406 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.788 -3.427 -4.511 1.00 0.00 C ATOM 1031 CG LYS A 65 -9.006 -4.078 -3.156 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.183 -3.041 -2.060 1.00 0.00 C ATOM 1033 CE LYS A 65 -9.007 -3.653 -0.680 1.00 0.00 C ATOM 1034 NZ LYS A 65 -10.233 -4.370 -0.231 1.00 0.00 N ATOM 0 H LYS A 65 -7.991 -2.653 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.278 -4.786 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.104 -2.586 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.735 -3.021 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.887 -4.719 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.157 -4.718 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.459 -2.238 -2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.174 -2.594 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.166 -4.346 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.762 -2.869 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.290 -4.343 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.073 -3.909 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.193 -5.359 -0.550 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.340 -5.247 -6.391 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.348 -6.267 -6.656 1.00 0.00 C ATOM 1050 C GLN A 66 -10.750 -7.434 -7.435 1.00 0.00 C ATOM 1051 O GLN A 66 -11.162 -8.581 -7.265 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.518 -5.666 -7.436 1.00 0.00 C ATOM 1053 CG GLN A 66 -13.226 -4.540 -6.699 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.703 -4.955 -5.320 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.390 -5.965 -5.167 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.340 -4.175 -4.308 1.00 0.00 N ATOM 0 H GLN A 66 -10.592 -4.311 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.711 -6.641 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.152 -5.290 -8.391 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.238 -6.453 -7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.550 -3.690 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.079 -4.205 -7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.770 -3.347 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.631 -4.404 -3.358 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.777 -7.133 -8.289 1.00 0.00 N ATOM 1066 CA GLN A 67 -9.124 -8.158 -9.095 1.00 0.00 C ATOM 1067 C GLN A 67 -8.147 -8.973 -8.252 1.00 0.00 C ATOM 1068 O GLN A 67 -8.135 -10.202 -8.313 1.00 0.00 O ATOM 1069 CB GLN A 67 -8.387 -7.518 -10.273 1.00 0.00 C ATOM 1070 CG GLN A 67 -8.311 -8.413 -11.500 1.00 0.00 C ATOM 1071 CD GLN A 67 -9.639 -8.528 -12.222 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -10.090 -9.628 -12.545 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -10.273 -7.390 -12.480 1.00 0.00 N ATOM 0 H GLN A 67 -9.424 -6.188 -8.441 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.894 -8.828 -9.477 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.887 -6.588 -10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.376 -7.257 -9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.562 -8.019 -12.186 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.978 -9.407 -11.200 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.862 -6.501 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.171 -7.405 -12.964 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.331 -8.279 -7.466 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.349 -8.938 -6.612 1.00 0.00 C ATOM 1084 C TYR A 68 -7.035 -9.746 -5.516 1.00 0.00 C ATOM 1085 O TYR A 68 -6.445 -10.661 -4.941 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.410 -7.903 -5.988 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.841 -8.331 -4.654 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.608 -8.271 -3.497 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.535 -8.796 -4.551 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -5.093 -8.659 -2.276 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -3.012 -9.187 -3.333 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.794 -9.117 -2.200 1.00 0.00 C ATOM 1093 OH TYR A 68 -3.276 -9.506 -0.986 1.00 0.00 O ATOM 0 H TYR A 68 -7.330 -7.261 -7.402 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.767 -9.621 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.589 -7.706 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.950 -6.965 -5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.626 -7.914 -3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.919 -8.853 -5.437 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.703 -8.604 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.995 -9.546 -3.269 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.350 -9.803 -1.106 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.286 -9.403 -5.232 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.056 -10.095 -4.205 1.00 0.00 C ATOM 1105 C LEU A 69 -9.436 -11.500 -4.664 1.00 0.00 C ATOM 1106 O LEU A 69 -9.146 -12.486 -3.987 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.316 -9.300 -3.861 1.00 0.00 C ATOM 1108 CG LEU A 69 -10.169 -8.254 -2.754 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.420 -7.394 -2.663 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.883 -8.927 -1.419 1.00 0.00 C ATOM 0 H LEU A 69 -8.789 -8.649 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.434 -10.179 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.662 -8.798 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.096 -10.003 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.326 -7.608 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.297 -6.656 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.580 -6.884 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.280 -8.025 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.781 -8.168 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.705 -9.597 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.958 -9.499 -1.491 1.00 0.00 H new ATOM 1122 N LYS A 70 -10.087 -11.583 -5.819 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.505 -12.865 -6.373 1.00 0.00 C ATOM 1124 C LYS A 70 -9.300 -13.762 -6.636 1.00 0.00 C ATOM 1125 O LYS A 70 -9.425 -14.986 -6.684 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.289 -12.653 -7.670 1.00 0.00 C ATOM 1127 CG LYS A 70 -10.565 -11.786 -8.684 1.00 0.00 C ATOM 1128 CD LYS A 70 -11.206 -11.881 -10.059 1.00 0.00 C ATOM 1129 CE LYS A 70 -10.911 -13.218 -10.721 1.00 0.00 C ATOM 1130 NZ LYS A 70 -11.017 -13.138 -12.204 1.00 0.00 N ATOM 0 H LYS A 70 -10.337 -10.776 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.149 -13.355 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.500 -13.623 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.249 -12.195 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.573 -10.749 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.521 -12.093 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.284 -11.749 -9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.837 -11.072 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.909 -13.546 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.606 -13.970 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.809 -14.069 -12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.981 -12.849 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.336 -12.439 -12.564 1.00 0.00 H new ATOM 1144 N GLU A 71 -8.134 -13.147 -6.805 1.00 0.00 N ATOM 1145 CA GLU A 71 -6.907 -13.892 -7.062 1.00 0.00 C ATOM 1146 C GLU A 71 -6.303 -14.411 -5.760 1.00 0.00 C ATOM 1147 O GLU A 71 -5.253 -15.055 -5.764 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.892 -13.008 -7.791 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.263 -12.721 -9.236 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.746 -13.778 -10.192 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -4.632 -14.294 -9.961 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -6.455 -14.090 -11.172 1.00 0.00 O ATOM 0 H GLU A 71 -8.013 -12.135 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.155 -14.746 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.794 -12.064 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.916 -13.492 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.348 -12.657 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.862 -11.749 -9.524 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.974 -14.128 -4.649 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.505 -14.566 -3.340 1.00 0.00 C ATOM 1161 C LEU A 72 -7.283 -15.789 -2.863 1.00 0.00 C ATOM 1162 O LEU A 72 -6.703 -16.743 -2.345 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.640 -13.433 -2.322 1.00 0.00 C ATOM 1164 CG LEU A 72 -5.975 -13.666 -0.965 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -4.516 -14.057 -1.146 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.091 -12.424 -0.094 1.00 0.00 C ATOM 0 H LEU A 72 -7.845 -13.597 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.454 -14.840 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.220 -12.527 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.701 -13.245 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.491 -14.486 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.059 -14.219 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.455 -14.974 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.987 -13.258 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.612 -12.608 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.601 -11.586 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.143 -12.187 0.064 1.00 0.00 H new