USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 3 TYR OH : rot 90:sc= -0.706 USER MOD Set 1.2: A 45 TYR OH : rot 180:sc=-0.00455 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc=-0.00652 (180deg=-0.185) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 13 LYS NZ :NH3+ 158:sc=-0.00413 (180deg=-0.267) USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= -0.894 (180deg=-2.37!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= -0.512 (180deg=-2.21!) USER MOD Single : A 35 ASN : amide:sc= -0.953 X(o=-0.95,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ -152:sc= -0.0641 (180deg=-0.477) USER MOD Single : A 38 THR OG1 : rot -51:sc= -2.83! USER MOD Single : A 44 THR OG1 : rot -30:sc= 0.721 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.042 USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.5! USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.592 -13.690 -1.011 1.00 0.00 N ATOM 18 CA THR A 2 5.096 -12.333 -1.223 1.00 0.00 C ATOM 19 C THR A 2 3.999 -11.419 -1.756 1.00 0.00 C ATOM 20 O THR A 2 3.343 -11.729 -2.750 1.00 0.00 O ATOM 21 CB THR A 2 6.276 -12.357 -2.196 1.00 0.00 C ATOM 22 OG1 THR A 2 6.844 -11.065 -2.327 1.00 0.00 O ATOM 23 CG2 THR A 2 5.901 -12.840 -3.583 1.00 0.00 C ATOM 0 HA THR A 2 5.430 -11.941 -0.263 1.00 0.00 H new ATOM 0 HB THR A 2 6.990 -13.060 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.598 -11.101 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.784 -12.832 -4.222 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.507 -13.854 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.142 -12.181 -4.005 1.00 0.00 H new ATOM 31 N TYR A 3 3.810 -10.292 -1.090 1.00 0.00 N ATOM 32 CA TYR A 3 2.795 -9.327 -1.495 1.00 0.00 C ATOM 33 C TYR A 3 3.381 -8.288 -2.444 1.00 0.00 C ATOM 34 O TYR A 3 4.581 -8.013 -2.412 1.00 0.00 O ATOM 35 CB TYR A 3 2.211 -8.624 -0.271 1.00 0.00 C ATOM 36 CG TYR A 3 1.094 -9.382 0.401 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.094 -10.770 0.452 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.035 -8.700 0.980 1.00 0.00 C ATOM 39 CE1 TYR A 3 0.064 -11.458 1.063 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.998 -9.380 1.594 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.980 -10.759 1.632 1.00 0.00 C ATOM 42 OH TYR A 3 -2.008 -11.441 2.242 1.00 0.00 O ATOM 0 H TYR A 3 4.345 -10.020 -0.265 1.00 0.00 H new ATOM 0 HA TYR A 3 2.004 -9.871 -2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.008 -8.456 0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.841 -7.643 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.911 -11.319 0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.018 -7.621 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.076 -12.537 1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.816 -8.835 2.042 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.795 -11.575 3.189 1.00 0.00 H new ATOM 52 N LYS A 4 2.526 -7.711 -3.286 1.00 0.00 N ATOM 53 CA LYS A 4 2.963 -6.700 -4.244 1.00 0.00 C ATOM 54 C LYS A 4 2.086 -5.451 -4.173 1.00 0.00 C ATOM 55 O LYS A 4 0.859 -5.539 -4.136 1.00 0.00 O ATOM 56 CB LYS A 4 2.943 -7.273 -5.663 1.00 0.00 C ATOM 57 CG LYS A 4 4.284 -7.832 -6.110 1.00 0.00 C ATOM 58 CD LYS A 4 4.629 -7.395 -7.525 1.00 0.00 C ATOM 59 CE LYS A 4 6.077 -7.705 -7.866 1.00 0.00 C ATOM 60 NZ LYS A 4 6.437 -9.111 -7.533 1.00 0.00 N ATOM 0 H LYS A 4 1.530 -7.926 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 4 3.982 -6.413 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.193 -8.062 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.634 -6.492 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.064 -7.499 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.260 -8.921 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.971 -7.899 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.450 -6.325 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.245 -7.529 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.732 -7.024 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.331 -9.361 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.548 -9.206 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.684 -9.749 -7.861 1.00 0.00 H new ATOM 74 N LEU A 5 2.733 -4.288 -4.157 1.00 0.00 N ATOM 75 CA LEU A 5 2.030 -3.010 -4.094 1.00 0.00 C ATOM 76 C LEU A 5 2.343 -2.150 -5.295 1.00 0.00 C ATOM 77 O LEU A 5 3.479 -2.111 -5.769 1.00 0.00 O ATOM 78 CB LEU A 5 2.431 -2.195 -2.861 1.00 0.00 C ATOM 79 CG LEU A 5 1.583 -0.937 -2.627 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.100 -1.264 -2.653 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.961 -0.261 -1.318 1.00 0.00 C ATOM 0 H LEU A 5 3.749 -4.205 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 5 0.970 -3.262 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.362 -2.834 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.476 -1.901 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 5 1.790 -0.242 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.476 -0.354 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.163 -1.685 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.127 -1.987 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.346 0.627 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.797 -0.952 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.012 0.027 -1.347 1.00 0.00 H new ATOM 93 N ILE A 6 1.346 -1.417 -5.750 1.00 0.00 N ATOM 94 CA ILE A 6 1.538 -0.508 -6.853 1.00 0.00 C ATOM 95 C ILE A 6 0.761 0.776 -6.597 1.00 0.00 C ATOM 96 O ILE A 6 -0.468 0.765 -6.512 1.00 0.00 O ATOM 97 CB ILE A 6 1.102 -1.125 -8.196 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.857 -2.431 -8.453 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.336 -0.143 -9.335 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.303 -3.612 -7.687 1.00 0.00 C ATOM 0 H ILE A 6 0.399 -1.436 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 6 2.604 -0.292 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 6 0.036 -1.345 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.827 -2.654 -9.519 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.905 -2.294 -8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.022 -0.596 -10.276 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.758 0.764 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.396 0.107 -9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.887 -4.502 -7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.358 -3.410 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.264 -3.776 -7.972 1.00 0.00 H new ATOM 112 N LEU A 7 1.484 1.880 -6.465 1.00 0.00 N ATOM 113 CA LEU A 7 0.861 3.169 -6.207 1.00 0.00 C ATOM 114 C LEU A 7 0.694 3.946 -7.502 1.00 0.00 C ATOM 115 O LEU A 7 1.629 4.059 -8.295 1.00 0.00 O ATOM 116 CB LEU A 7 1.691 3.977 -5.207 1.00 0.00 C ATOM 117 CG LEU A 7 2.041 3.241 -3.908 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.080 2.159 -4.164 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.537 4.223 -2.856 1.00 0.00 C ATOM 0 H LEU A 7 2.501 1.908 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.125 2.993 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.617 4.286 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.145 4.886 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 7 1.137 2.761 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.313 1.650 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.686 1.439 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.986 2.612 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.781 3.683 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.427 4.733 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.759 4.957 -2.648 1.00 0.00 H new ATOM 131 N ASN A 8 -0.503 4.473 -7.716 1.00 0.00 N ATOM 132 CA ASN A 8 -0.786 5.232 -8.932 1.00 0.00 C ATOM 133 C ASN A 8 -1.128 6.685 -8.619 1.00 0.00 C ATOM 134 O ASN A 8 -2.026 6.970 -7.824 1.00 0.00 O ATOM 135 CB ASN A 8 -1.927 4.576 -9.715 1.00 0.00 C ATOM 136 CG ASN A 8 -1.442 3.904 -10.985 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.463 3.158 -10.971 1.00 0.00 O ATOM 138 ND2 ASN A 8 -2.128 4.167 -12.092 1.00 0.00 N ATOM 0 H ASN A 8 -1.290 4.392 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 8 0.116 5.226 -9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.422 3.839 -9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.672 5.330 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.849 3.744 -12.977 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.933 4.792 -12.057 1.00 0.00 H new ATOM 145 N LEU A 9 -0.406 7.600 -9.259 1.00 0.00 N ATOM 146 CA LEU A 9 -0.624 9.029 -9.062 1.00 0.00 C ATOM 147 C LEU A 9 -0.406 9.793 -10.365 1.00 0.00 C ATOM 148 O LEU A 9 0.633 10.419 -10.558 1.00 0.00 O ATOM 149 CB LEU A 9 0.318 9.571 -7.975 1.00 0.00 C ATOM 150 CG LEU A 9 -0.064 9.181 -6.544 1.00 0.00 C ATOM 151 CD1 LEU A 9 0.626 7.889 -6.124 1.00 0.00 C ATOM 152 CD2 LEU A 9 0.275 10.308 -5.580 1.00 0.00 C ATOM 0 H LEU A 9 0.337 7.376 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.656 9.173 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.328 9.213 -8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.345 10.658 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.140 9.009 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.336 7.637 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.329 7.083 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.707 8.022 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.002 10.016 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.345 10.511 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.275 11.206 -5.862 1.00 0.00 H new ATOM 213 N LYS A 13 4.661 6.400 -10.545 1.00 0.00 N ATOM 214 CA LYS A 13 4.268 5.107 -10.004 1.00 0.00 C ATOM 215 C LYS A 13 5.276 4.623 -8.964 1.00 0.00 C ATOM 216 O LYS A 13 6.451 4.991 -9.010 1.00 0.00 O ATOM 217 CB LYS A 13 4.142 4.068 -11.134 1.00 0.00 C ATOM 218 CG LYS A 13 5.459 3.780 -11.833 1.00 0.00 C ATOM 219 CD LYS A 13 5.821 2.304 -11.772 1.00 0.00 C ATOM 220 CE LYS A 13 6.318 1.794 -13.112 1.00 0.00 C ATOM 221 NZ LYS A 13 7.447 2.618 -13.638 1.00 0.00 N ATOM 0 HA LYS A 13 3.299 5.225 -9.519 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.746 3.140 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.419 4.425 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.394 4.095 -12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.252 4.368 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.590 2.149 -11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.949 1.727 -11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.642 0.758 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.498 1.801 -13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.994 2.060 -14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.069 3.467 -14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.066 2.902 -12.852 1.00 0.00 H new ATOM 235 N GLU A 14 4.815 3.799 -8.038 1.00 0.00 N ATOM 236 CA GLU A 14 5.678 3.264 -6.990 1.00 0.00 C ATOM 237 C GLU A 14 5.358 1.794 -6.727 1.00 0.00 C ATOM 238 O GLU A 14 4.259 1.327 -7.022 1.00 0.00 O ATOM 239 CB GLU A 14 5.518 4.078 -5.702 1.00 0.00 C ATOM 240 CG GLU A 14 6.641 5.077 -5.474 1.00 0.00 C ATOM 241 CD GLU A 14 7.311 4.906 -4.125 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.601 4.600 -3.143 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.545 5.077 -4.049 1.00 0.00 O ATOM 0 H GLU A 14 3.846 3.483 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 14 6.712 3.338 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.568 4.612 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.471 3.396 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.386 4.966 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.243 6.089 -5.552 1.00 0.00 H new ATOM 250 N GLU A 15 6.327 1.070 -6.176 1.00 0.00 N ATOM 251 CA GLU A 15 6.147 -0.347 -5.882 1.00 0.00 C ATOM 252 C GLU A 15 6.470 -0.655 -4.422 1.00 0.00 C ATOM 253 O GLU A 15 7.160 0.113 -3.751 1.00 0.00 O ATOM 254 CB GLU A 15 7.032 -1.191 -6.802 1.00 0.00 C ATOM 255 CG GLU A 15 6.638 -1.106 -8.267 1.00 0.00 C ATOM 256 CD GLU A 15 7.630 -1.805 -9.177 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.589 -1.148 -9.616 1.00 0.00 O ATOM 258 OE2 GLU A 15 7.444 -3.011 -9.444 1.00 0.00 O ATOM 0 H GLU A 15 7.243 1.441 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 15 5.101 -0.597 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.067 -0.868 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.987 -2.232 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.652 -1.550 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.558 -0.059 -8.558 1.00 0.00 H new ATOM 265 N ALA A 16 5.970 -1.790 -3.942 1.00 0.00 N ATOM 266 CA ALA A 16 6.202 -2.220 -2.575 1.00 0.00 C ATOM 267 C ALA A 16 5.865 -3.699 -2.440 1.00 0.00 C ATOM 268 O ALA A 16 4.920 -4.187 -3.053 1.00 0.00 O ATOM 269 CB ALA A 16 5.355 -1.391 -1.602 1.00 0.00 C ATOM 0 H ALA A 16 5.396 -2.431 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 16 7.253 -2.069 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.541 -1.726 -0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.623 -0.338 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.299 -1.519 -1.839 1.00 0.00 H new ATOM 275 N ILE A 17 6.642 -4.407 -1.643 1.00 0.00 N ATOM 276 CA ILE A 17 6.419 -5.834 -1.434 1.00 0.00 C ATOM 277 C ILE A 17 6.617 -6.219 0.018 1.00 0.00 C ATOM 278 O ILE A 17 7.540 -5.741 0.678 1.00 0.00 O ATOM 279 CB ILE A 17 7.348 -6.704 -2.295 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.771 -6.128 -2.325 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.793 -6.838 -3.707 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.706 -6.744 -1.302 1.00 0.00 C ATOM 0 H ILE A 17 7.434 -4.022 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 17 5.386 -6.017 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 17 7.397 -7.696 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.191 -6.274 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.721 -5.052 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.463 -7.457 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.808 -7.302 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.711 -5.850 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.691 -6.285 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.311 -6.575 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.789 -7.816 -1.483 1.00 0.00 H new ATOM 294 N LYS A 18 5.743 -7.085 0.514 1.00 0.00 N ATOM 295 CA LYS A 18 5.826 -7.526 1.899 1.00 0.00 C ATOM 296 C LYS A 18 5.492 -9.011 2.030 1.00 0.00 C ATOM 297 O LYS A 18 4.341 -9.415 1.874 1.00 0.00 O ATOM 298 CB LYS A 18 4.881 -6.693 2.772 1.00 0.00 C ATOM 299 CG LYS A 18 4.757 -5.244 2.325 1.00 0.00 C ATOM 300 CD LYS A 18 5.900 -4.367 2.832 1.00 0.00 C ATOM 301 CE LYS A 18 6.273 -4.674 4.274 1.00 0.00 C ATOM 302 NZ LYS A 18 7.325 -5.724 4.367 1.00 0.00 N ATOM 0 H LYS A 18 4.974 -7.493 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 18 6.851 -7.382 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.893 -7.153 2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.236 -6.717 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.732 -5.206 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.810 -4.839 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.773 -4.510 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.614 -3.319 2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.626 -3.764 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.386 -5.001 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.901 -6.611 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.746 -5.877 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.063 -5.418 5.032 1.00 0.00 H new ATOM 316 N GLU A 19 6.509 -9.817 2.321 1.00 0.00 N ATOM 317 CA GLU A 19 6.322 -11.249 2.477 1.00 0.00 C ATOM 318 C GLU A 19 5.623 -11.571 3.794 1.00 0.00 C ATOM 319 O GLU A 19 6.162 -11.320 4.870 1.00 0.00 O ATOM 320 CB GLU A 19 7.672 -11.967 2.414 1.00 0.00 C ATOM 321 CG GLU A 19 8.098 -12.349 1.004 1.00 0.00 C ATOM 322 CD GLU A 19 8.915 -11.261 0.330 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.475 -10.089 0.344 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.994 -11.580 -0.209 1.00 0.00 O ATOM 0 H GLU A 19 7.469 -9.499 2.453 1.00 0.00 H new ATOM 0 HA GLU A 19 5.690 -11.598 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.436 -11.325 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.623 -12.868 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.683 -13.268 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.212 -12.558 0.404 1.00 0.00 H new ATOM 331 N ALA A 20 4.426 -12.146 3.700 1.00 0.00 N ATOM 332 CA ALA A 20 3.654 -12.503 4.886 1.00 0.00 C ATOM 333 C ALA A 20 2.330 -13.160 4.506 1.00 0.00 C ATOM 334 O ALA A 20 1.973 -13.225 3.330 1.00 0.00 O ATOM 335 CB ALA A 20 3.409 -11.278 5.749 1.00 0.00 C ATOM 0 H ALA A 20 3.971 -12.374 2.816 1.00 0.00 H new ATOM 0 HA ALA A 20 4.235 -13.225 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.832 -11.562 6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.364 -10.857 6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.855 -10.534 5.176 1.00 0.00 H new ATOM 341 N VAL A 21 1.603 -13.635 5.512 1.00 0.00 N ATOM 342 CA VAL A 21 0.315 -14.282 5.287 1.00 0.00 C ATOM 343 C VAL A 21 -0.832 -13.379 5.737 1.00 0.00 C ATOM 344 O VAL A 21 -1.901 -13.376 5.131 1.00 0.00 O ATOM 345 CB VAL A 21 0.225 -15.632 6.031 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.347 -15.423 7.533 1.00 0.00 C ATOM 347 CG2 VAL A 21 -1.076 -16.340 5.687 1.00 0.00 C ATOM 0 H VAL A 21 1.884 -13.584 6.491 1.00 0.00 H new ATOM 0 HA VAL A 21 0.230 -14.466 4.216 1.00 0.00 H new ATOM 0 HB VAL A 21 1.053 -16.263 5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.281 -16.385 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.307 -14.958 7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.460 -14.775 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.125 -17.290 6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.919 -15.715 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.118 -16.523 4.613 1.00 0.00 H new ATOM 357 N ASP A 22 -0.592 -12.624 6.800 1.00 0.00 N ATOM 358 CA ASP A 22 -1.597 -11.714 7.331 1.00 0.00 C ATOM 359 C ASP A 22 -1.666 -10.450 6.485 1.00 0.00 C ATOM 360 O ASP A 22 -0.955 -9.479 6.738 1.00 0.00 O ATOM 361 CB ASP A 22 -1.278 -11.356 8.782 1.00 0.00 C ATOM 362 CG ASP A 22 -1.990 -12.261 9.769 1.00 0.00 C ATOM 363 OD1 ASP A 22 -1.683 -13.472 9.793 1.00 0.00 O ATOM 364 OD2 ASP A 22 -2.855 -11.759 10.518 1.00 0.00 O ATOM 0 H ASP A 22 0.290 -12.624 7.312 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.566 -12.213 7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.202 -11.423 8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.564 -10.321 8.970 1.00 0.00 H new ATOM 369 N ALA A 23 -2.521 -10.481 5.469 1.00 0.00 N ATOM 370 CA ALA A 23 -2.691 -9.348 4.561 1.00 0.00 C ATOM 371 C ALA A 23 -2.745 -8.018 5.309 1.00 0.00 C ATOM 372 O ALA A 23 -2.309 -6.989 4.793 1.00 0.00 O ATOM 373 CB ALA A 23 -3.947 -9.531 3.724 1.00 0.00 C ATOM 0 H ALA A 23 -3.112 -11.283 5.251 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.820 -9.320 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.063 -8.681 3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.864 -10.447 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.815 -9.596 4.380 1.00 0.00 H new ATOM 379 N GLY A 24 -3.282 -8.045 6.522 1.00 0.00 N ATOM 380 CA GLY A 24 -3.380 -6.831 7.313 1.00 0.00 C ATOM 381 C GLY A 24 -2.024 -6.212 7.595 1.00 0.00 C ATOM 382 O GLY A 24 -1.912 -5.001 7.799 1.00 0.00 O ATOM 0 H GLY A 24 -3.651 -8.883 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.004 -6.108 6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.877 -7.055 8.257 1.00 0.00 H new ATOM 386 N ILE A 25 -0.990 -7.043 7.603 1.00 0.00 N ATOM 387 CA ILE A 25 0.364 -6.570 7.860 1.00 0.00 C ATOM 388 C ILE A 25 0.912 -5.819 6.650 1.00 0.00 C ATOM 389 O ILE A 25 1.594 -4.801 6.798 1.00 0.00 O ATOM 390 CB ILE A 25 1.317 -7.735 8.221 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.921 -8.359 9.564 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.762 -7.256 8.271 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.768 -7.350 10.683 1.00 0.00 C ATOM 0 H ILE A 25 -1.063 -8.046 7.435 1.00 0.00 H new ATOM 0 HA ILE A 25 0.311 -5.893 8.712 1.00 0.00 H new ATOM 0 HB ILE A 25 1.231 -8.494 7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.019 -8.897 9.441 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.674 -9.093 9.849 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.414 -8.092 8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.047 -6.858 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.861 -6.475 9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.487 -7.865 11.602 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.713 -6.828 10.834 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.006 -6.629 10.420 1.00 0.00 H new ATOM 405 N ALA A 26 0.617 -6.319 5.454 1.00 0.00 N ATOM 406 CA ALA A 26 1.096 -5.677 4.239 1.00 0.00 C ATOM 407 C ALA A 26 0.414 -4.336 4.017 1.00 0.00 C ATOM 408 O ALA A 26 1.060 -3.372 3.614 1.00 0.00 O ATOM 409 CB ALA A 26 0.908 -6.568 3.025 1.00 0.00 C ATOM 0 H ALA A 26 0.055 -7.157 5.303 1.00 0.00 H new ATOM 0 HA ALA A 26 2.164 -5.503 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.277 -6.055 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.463 -7.496 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.151 -6.794 2.900 1.00 0.00 H new ATOM 415 N GLU A 27 -0.888 -4.266 4.286 1.00 0.00 N ATOM 416 CA GLU A 27 -1.610 -3.007 4.108 1.00 0.00 C ATOM 417 C GLU A 27 -1.042 -1.958 5.053 1.00 0.00 C ATOM 418 O GLU A 27 -1.004 -0.771 4.730 1.00 0.00 O ATOM 419 CB GLU A 27 -3.119 -3.160 4.341 1.00 0.00 C ATOM 420 CG GLU A 27 -3.471 -3.602 5.744 1.00 0.00 C ATOM 421 CD GLU A 27 -4.913 -4.056 5.867 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.303 -4.997 5.145 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.651 -3.471 6.687 1.00 0.00 O ATOM 0 H GLU A 27 -1.454 -5.046 4.620 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.475 -2.693 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.609 -2.208 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.517 -3.884 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.811 -4.417 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.293 -2.779 6.436 1.00 0.00 H new ATOM 430 N LYS A 28 -0.579 -2.412 6.217 1.00 0.00 N ATOM 431 CA LYS A 28 0.011 -1.516 7.203 1.00 0.00 C ATOM 432 C LYS A 28 1.302 -0.911 6.663 1.00 0.00 C ATOM 433 O LYS A 28 1.611 0.250 6.925 1.00 0.00 O ATOM 434 CB LYS A 28 0.291 -2.265 8.506 1.00 0.00 C ATOM 435 CG LYS A 28 -0.959 -2.836 9.155 1.00 0.00 C ATOM 436 CD LYS A 28 -1.425 -1.980 10.322 1.00 0.00 C ATOM 437 CE LYS A 28 -2.918 -1.700 10.246 1.00 0.00 C ATOM 438 NZ LYS A 28 -3.688 -2.525 11.217 1.00 0.00 N ATOM 0 H LYS A 28 -0.602 -3.392 6.497 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.698 -0.713 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.991 -3.077 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.779 -1.588 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.755 -2.906 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.758 -3.849 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.196 -2.486 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.877 -1.038 10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.100 -0.643 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.274 -1.902 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.701 -2.304 11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.535 -3.533 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.366 -2.314 12.183 1.00 0.00 H new ATOM 452 N TYR A 29 2.047 -1.705 5.900 1.00 0.00 N ATOM 453 CA TYR A 29 3.303 -1.242 5.311 1.00 0.00 C ATOM 454 C TYR A 29 3.060 -0.572 3.993 1.00 0.00 C ATOM 455 O TYR A 29 3.703 0.415 3.637 1.00 0.00 O ATOM 456 CB TYR A 29 4.256 -2.398 5.096 1.00 0.00 C ATOM 457 CG TYR A 29 5.162 -2.560 6.287 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.830 -1.447 6.771 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.341 -3.771 6.938 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.643 -1.522 7.857 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.167 -3.863 8.038 1.00 0.00 C ATOM 462 CZ TYR A 29 6.819 -2.733 8.496 1.00 0.00 C ATOM 463 OH TYR A 29 7.645 -2.815 9.596 1.00 0.00 O ATOM 0 H TYR A 29 1.805 -2.670 5.674 1.00 0.00 H new ATOM 0 HA TYR A 29 3.744 -0.529 6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.692 -3.317 4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.851 -2.225 4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.701 -0.497 6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.828 -4.651 6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.149 -0.639 8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.304 -4.810 8.538 1.00 0.00 H new ATOM 0 HH TYR A 29 7.658 -3.737 9.927 1.00 0.00 H new ATOM 473 N PHE A 30 2.105 -1.113 3.292 1.00 0.00 N ATOM 474 CA PHE A 30 1.713 -0.595 2.019 1.00 0.00 C ATOM 475 C PHE A 30 1.181 0.801 2.248 1.00 0.00 C ATOM 476 O PHE A 30 1.462 1.729 1.491 1.00 0.00 O ATOM 477 CB PHE A 30 0.652 -1.516 1.425 1.00 0.00 C ATOM 478 CG PHE A 30 1.187 -2.844 0.943 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.534 -3.045 0.694 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.320 -3.872 0.693 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.992 -4.248 0.202 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.763 -5.079 0.189 1.00 0.00 C ATOM 483 CZ PHE A 30 2.105 -5.263 -0.059 1.00 0.00 C ATOM 0 H PHE A 30 1.575 -1.931 3.592 1.00 0.00 H new ATOM 0 HA PHE A 30 2.545 -0.549 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.117 -1.697 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.170 -1.006 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.236 -2.247 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.733 -3.737 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.047 -4.392 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.060 -5.875 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.459 -6.202 -0.457 1.00 0.00 H new ATOM 493 N LYS A 31 0.450 0.938 3.351 1.00 0.00 N ATOM 494 CA LYS A 31 -0.089 2.215 3.757 1.00 0.00 C ATOM 495 C LYS A 31 0.985 2.980 4.524 1.00 0.00 C ATOM 496 O LYS A 31 0.939 4.207 4.613 1.00 0.00 O ATOM 497 CB LYS A 31 -1.346 2.032 4.617 1.00 0.00 C ATOM 498 CG LYS A 31 -1.064 1.625 6.057 1.00 0.00 C ATOM 499 CD LYS A 31 -2.307 1.072 6.733 1.00 0.00 C ATOM 500 CE LYS A 31 -3.382 2.137 6.881 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.201 2.276 5.646 1.00 0.00 N ATOM 0 H LYS A 31 0.221 0.168 3.979 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.380 2.782 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.910 2.965 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.981 1.276 4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.274 0.874 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.698 2.487 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.698 0.237 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.044 0.680 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.030 1.884 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.915 3.093 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.999 3.192 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.966 1.508 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.210 2.225 5.891 1.00 0.00 H new ATOM 515 N LEU A 32 1.973 2.247 5.065 1.00 0.00 N ATOM 516 CA LEU A 32 3.059 2.894 5.798 1.00 0.00 C ATOM 517 C LEU A 32 3.834 3.819 4.860 1.00 0.00 C ATOM 518 O LEU A 32 4.003 5.008 5.146 1.00 0.00 O ATOM 519 CB LEU A 32 3.999 1.875 6.465 1.00 0.00 C ATOM 520 CG LEU A 32 5.234 2.495 7.126 1.00 0.00 C ATOM 521 CD1 LEU A 32 4.827 3.653 8.025 1.00 0.00 C ATOM 522 CD2 LEU A 32 6.000 1.445 7.916 1.00 0.00 C ATOM 0 H LEU A 32 2.037 1.231 5.008 1.00 0.00 H new ATOM 0 HA LEU A 32 2.617 3.483 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.439 1.320 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.326 1.155 5.715 1.00 0.00 H new ATOM 0 HG LEU A 32 5.890 2.879 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.715 4.084 8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.322 4.415 7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.152 3.291 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.874 1.904 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.355 1.030 8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.321 0.648 7.246 1.00 0.00 H new ATOM 534 N ILE A 33 4.278 3.284 3.722 1.00 0.00 N ATOM 535 CA ILE A 33 4.999 4.083 2.748 1.00 0.00 C ATOM 536 C ILE A 33 4.027 4.907 1.915 1.00 0.00 C ATOM 537 O ILE A 33 4.295 6.063 1.607 1.00 0.00 O ATOM 538 CB ILE A 33 5.868 3.215 1.812 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.560 4.083 0.751 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.025 2.135 1.151 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.073 5.410 1.279 1.00 0.00 C ATOM 0 H ILE A 33 4.149 2.307 3.459 1.00 0.00 H new ATOM 0 HA ILE A 33 5.662 4.744 3.306 1.00 0.00 H new ATOM 0 HB ILE A 33 6.639 2.732 2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.395 3.525 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.859 4.273 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.654 1.533 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.585 1.497 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.231 2.600 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.548 5.964 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.240 5.990 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.800 5.230 2.071 1.00 0.00 H new ATOM 553 N ALA A 34 2.886 4.320 1.559 1.00 0.00 N ATOM 554 CA ALA A 34 1.889 5.035 0.776 1.00 0.00 C ATOM 555 C ALA A 34 1.514 6.338 1.472 1.00 0.00 C ATOM 556 O ALA A 34 1.216 7.341 0.826 1.00 0.00 O ATOM 557 CB ALA A 34 0.661 4.167 0.556 1.00 0.00 C ATOM 0 H ALA A 34 2.633 3.361 1.799 1.00 0.00 H new ATOM 0 HA ALA A 34 2.313 5.273 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.074 4.718 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.947 3.261 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.228 3.899 1.520 1.00 0.00 H new ATOM 563 N ASN A 35 1.556 6.318 2.800 1.00 0.00 N ATOM 564 CA ASN A 35 1.246 7.500 3.592 1.00 0.00 C ATOM 565 C ASN A 35 2.439 8.447 3.604 1.00 0.00 C ATOM 566 O ASN A 35 2.279 9.666 3.648 1.00 0.00 O ATOM 567 CB ASN A 35 0.875 7.104 5.023 1.00 0.00 C ATOM 568 CG ASN A 35 -0.584 6.716 5.156 1.00 0.00 C ATOM 569 OD1 ASN A 35 -1.462 7.347 4.569 1.00 0.00 O ATOM 570 ND2 ASN A 35 -0.849 5.673 5.933 1.00 0.00 N ATOM 0 H ASN A 35 1.802 5.495 3.350 1.00 0.00 H new ATOM 0 HA ASN A 35 0.394 8.008 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.500 6.269 5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.090 7.936 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.813 5.365 6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.089 5.179 6.401 1.00 0.00 H new ATOM 577 N ALA A 36 3.639 7.871 3.557 1.00 0.00 N ATOM 578 CA ALA A 36 4.866 8.661 3.553 1.00 0.00 C ATOM 579 C ALA A 36 5.156 9.212 2.158 1.00 0.00 C ATOM 580 O ALA A 36 5.624 10.341 2.011 1.00 0.00 O ATOM 581 CB ALA A 36 6.035 7.821 4.045 1.00 0.00 C ATOM 0 H ALA A 36 3.786 6.862 3.521 1.00 0.00 H new ATOM 0 HA ALA A 36 4.731 9.505 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.944 8.422 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.835 7.479 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.165 6.959 3.391 1.00 0.00 H new ATOM 587 N LYS A 37 4.870 8.408 1.138 1.00 0.00 N ATOM 588 CA LYS A 37 5.095 8.818 -0.247 1.00 0.00 C ATOM 589 C LYS A 37 3.830 9.423 -0.852 1.00 0.00 C ATOM 590 O LYS A 37 3.844 10.554 -1.341 1.00 0.00 O ATOM 591 CB LYS A 37 5.576 7.646 -1.117 1.00 0.00 C ATOM 592 CG LYS A 37 7.061 7.359 -0.975 1.00 0.00 C ATOM 593 CD LYS A 37 7.889 8.206 -1.930 1.00 0.00 C ATOM 594 CE LYS A 37 9.146 8.734 -1.260 1.00 0.00 C ATOM 595 NZ LYS A 37 8.831 9.660 -0.137 1.00 0.00 N ATOM 0 H LYS A 37 4.483 7.470 1.243 1.00 0.00 H new ATOM 0 HA LYS A 37 5.879 9.575 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.013 6.751 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.354 7.864 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.374 7.555 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.248 6.303 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.163 7.611 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.289 9.042 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.736 7.898 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.759 9.253 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.609 10.339 -0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.952 10.174 -0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.711 9.114 0.740 1.00 0.00 H new ATOM 609 N THR A 38 2.738 8.662 -0.818 1.00 0.00 N ATOM 610 CA THR A 38 1.463 9.123 -1.364 1.00 0.00 C ATOM 611 C THR A 38 0.740 10.032 -0.376 1.00 0.00 C ATOM 612 O THR A 38 1.248 10.312 0.710 1.00 0.00 O ATOM 613 CB THR A 38 0.574 7.928 -1.719 1.00 0.00 C ATOM 614 OG1 THR A 38 1.355 6.768 -1.937 1.00 0.00 O ATOM 615 CG2 THR A 38 -0.269 8.153 -2.955 1.00 0.00 C ATOM 0 H THR A 38 2.710 7.724 -0.418 1.00 0.00 H new ATOM 0 HA THR A 38 1.672 9.695 -2.268 1.00 0.00 H new ATOM 0 HB THR A 38 -0.091 7.801 -0.865 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.071 6.971 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.874 7.267 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.922 9.012 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.381 8.342 -3.809 1.00 0.00 H new ATOM 623 N VAL A 39 -0.450 10.489 -0.758 1.00 0.00 N ATOM 624 CA VAL A 39 -1.242 11.366 0.096 1.00 0.00 C ATOM 625 C VAL A 39 -2.617 10.769 0.389 1.00 0.00 C ATOM 626 O VAL A 39 -3.056 10.741 1.539 1.00 0.00 O ATOM 627 CB VAL A 39 -1.417 12.762 -0.538 1.00 0.00 C ATOM 628 CG1 VAL A 39 -2.160 12.663 -1.862 1.00 0.00 C ATOM 629 CG2 VAL A 39 -2.140 13.698 0.419 1.00 0.00 C ATOM 0 H VAL A 39 -0.886 10.266 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.694 11.468 1.033 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.428 13.175 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.272 13.658 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.596 12.033 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.145 12.227 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.254 14.677 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.124 13.291 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.561 13.798 1.337 1.00 0.00 H new ATOM 639 N GLU A 40 -3.293 10.289 -0.654 1.00 0.00 N ATOM 640 CA GLU A 40 -4.614 9.694 -0.505 1.00 0.00 C ATOM 641 C GLU A 40 -5.172 9.267 -1.858 1.00 0.00 C ATOM 642 O GLU A 40 -5.007 9.961 -2.861 1.00 0.00 O ATOM 643 CB GLU A 40 -5.578 10.677 0.168 1.00 0.00 C ATOM 644 CG GLU A 40 -6.989 10.133 0.328 1.00 0.00 C ATOM 645 CD GLU A 40 -7.872 11.040 1.163 1.00 0.00 C ATOM 646 OE1 GLU A 40 -7.830 10.930 2.406 1.00 0.00 O ATOM 647 OE2 GLU A 40 -8.605 11.861 0.573 1.00 0.00 O ATOM 0 H GLU A 40 -2.944 10.302 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.513 8.811 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.186 10.942 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.616 11.595 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.438 10.001 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.944 9.148 0.792 1.00 0.00 H new ATOM 654 N GLY A 41 -5.836 8.120 -1.870 1.00 0.00 N ATOM 655 CA GLY A 41 -6.420 7.602 -3.097 1.00 0.00 C ATOM 656 C GLY A 41 -7.305 6.396 -2.844 1.00 0.00 C ATOM 657 O GLY A 41 -7.497 5.991 -1.697 1.00 0.00 O ATOM 0 H GLY A 41 -5.983 7.534 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.005 8.386 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.624 7.328 -3.789 1.00 0.00 H new ATOM 661 N VAL A 42 -7.839 5.812 -3.914 1.00 0.00 N ATOM 662 CA VAL A 42 -8.698 4.640 -3.789 1.00 0.00 C ATOM 663 C VAL A 42 -7.858 3.390 -3.566 1.00 0.00 C ATOM 664 O VAL A 42 -7.201 2.894 -4.482 1.00 0.00 O ATOM 665 CB VAL A 42 -9.584 4.444 -5.034 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.629 5.545 -5.121 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.737 4.395 -6.296 1.00 0.00 C ATOM 0 H VAL A 42 -7.692 6.130 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.348 4.806 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.102 3.490 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.246 5.392 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.258 5.521 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.133 6.513 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.383 4.256 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.186 5.329 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.034 3.564 -6.231 1.00 0.00 H new ATOM 677 N TRP A 43 -7.869 2.904 -2.333 1.00 0.00 N ATOM 678 CA TRP A 43 -7.106 1.738 -1.950 1.00 0.00 C ATOM 679 C TRP A 43 -7.828 0.446 -2.330 1.00 0.00 C ATOM 680 O TRP A 43 -9.028 0.303 -2.099 1.00 0.00 O ATOM 681 CB TRP A 43 -6.879 1.802 -0.447 1.00 0.00 C ATOM 682 CG TRP A 43 -5.558 2.401 -0.060 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.268 3.736 0.024 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.348 1.708 0.295 1.00 0.00 C ATOM 685 NE1 TRP A 43 -3.963 3.916 0.399 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.379 2.692 0.576 1.00 0.00 C ATOM 687 CE3 TRP A 43 -3.977 0.360 0.405 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.082 2.370 0.956 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.682 0.060 0.784 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.758 1.057 1.054 1.00 0.00 C ATOM 0 H TRP A 43 -8.411 3.313 -1.572 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.154 1.734 -2.480 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.679 2.386 0.008 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.946 0.795 -0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.968 4.533 -0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.502 4.817 0.526 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.688 -0.427 0.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.355 3.141 1.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.384 -0.974 0.872 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.756 0.782 1.349 1.00 0.00 H new ATOM 701 N THR A 44 -7.085 -0.492 -2.912 1.00 0.00 N ATOM 702 CA THR A 44 -7.648 -1.774 -3.324 1.00 0.00 C ATOM 703 C THR A 44 -6.614 -2.888 -3.184 1.00 0.00 C ATOM 704 O THR A 44 -5.411 -2.641 -3.251 1.00 0.00 O ATOM 705 CB THR A 44 -8.142 -1.698 -4.769 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.063 -1.465 -5.655 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.168 -0.607 -4.995 1.00 0.00 C ATOM 0 H THR A 44 -6.090 -0.387 -3.109 1.00 0.00 H new ATOM 0 HA THR A 44 -8.492 -2.000 -2.673 1.00 0.00 H new ATOM 0 HB THR A 44 -8.613 -2.661 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.372 -0.942 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.476 -0.608 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.036 -0.787 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.731 0.360 -4.747 1.00 0.00 H new ATOM 715 N TYR A 45 -7.090 -4.115 -2.992 1.00 0.00 N ATOM 716 CA TYR A 45 -6.198 -5.264 -2.848 1.00 0.00 C ATOM 717 C TYR A 45 -6.741 -6.473 -3.608 1.00 0.00 C ATOM 718 O TYR A 45 -7.948 -6.707 -3.647 1.00 0.00 O ATOM 719 CB TYR A 45 -5.984 -5.599 -1.361 1.00 0.00 C ATOM 720 CG TYR A 45 -5.599 -7.039 -1.091 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.289 -7.470 -1.256 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.546 -7.963 -0.665 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.934 -8.781 -1.004 1.00 0.00 C ATOM 724 CE2 TYR A 45 -6.198 -9.276 -0.413 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.890 -9.679 -0.584 1.00 0.00 C ATOM 726 OH TYR A 45 -4.540 -10.986 -0.332 1.00 0.00 O ATOM 0 H TYR A 45 -8.083 -4.340 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.232 -5.003 -3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.206 -4.947 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.900 -5.372 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.536 -6.769 -1.586 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.570 -7.649 -0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.911 -9.101 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.946 -9.983 -0.084 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.331 -11.487 -0.043 1.00 0.00 H new ATOM 736 N LYS A 46 -5.834 -7.238 -4.210 1.00 0.00 N ATOM 737 CA LYS A 46 -6.211 -8.424 -4.970 1.00 0.00 C ATOM 738 C LYS A 46 -5.911 -9.695 -4.181 1.00 0.00 C ATOM 739 O LYS A 46 -4.851 -9.823 -3.570 1.00 0.00 O ATOM 740 CB LYS A 46 -5.471 -8.454 -6.309 1.00 0.00 C ATOM 741 CG LYS A 46 -5.545 -7.143 -7.074 1.00 0.00 C ATOM 742 CD LYS A 46 -4.368 -6.981 -8.025 1.00 0.00 C ATOM 743 CE LYS A 46 -4.816 -7.000 -9.478 1.00 0.00 C ATOM 744 NZ LYS A 46 -4.937 -5.626 -10.041 1.00 0.00 N ATOM 0 H LYS A 46 -4.831 -7.056 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.284 -8.379 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.425 -8.703 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.887 -9.250 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.477 -7.102 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.562 -6.311 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.855 -6.043 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.649 -7.782 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.103 -7.573 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.776 -7.510 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.244 -5.683 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.636 -5.086 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.015 -5.148 -9.992 1.00 0.00 H new ATOM 758 N ASP A 47 -6.853 -10.632 -4.200 1.00 0.00 N ATOM 759 CA ASP A 47 -6.692 -11.896 -3.485 1.00 0.00 C ATOM 760 C ASP A 47 -6.046 -12.950 -4.378 1.00 0.00 C ATOM 761 O ASP A 47 -5.408 -13.876 -3.891 1.00 0.00 O ATOM 762 CB ASP A 47 -8.046 -12.401 -2.984 1.00 0.00 C ATOM 763 CG ASP A 47 -7.924 -13.673 -2.169 1.00 0.00 C ATOM 764 OD1 ASP A 47 -7.041 -13.733 -1.289 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.714 -14.609 -2.412 1.00 0.00 O ATOM 0 H ASP A 47 -7.736 -10.541 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.039 -11.717 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.517 -11.628 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.702 -12.580 -3.836 1.00 0.00 H new ATOM 770 N GLU A 48 -6.226 -12.798 -5.688 1.00 0.00 N ATOM 771 CA GLU A 48 -5.669 -13.732 -6.661 1.00 0.00 C ATOM 772 C GLU A 48 -4.223 -14.087 -6.327 1.00 0.00 C ATOM 773 O GLU A 48 -3.875 -15.263 -6.221 1.00 0.00 O ATOM 774 CB GLU A 48 -5.744 -13.138 -8.069 1.00 0.00 C ATOM 775 CG GLU A 48 -5.283 -14.095 -9.157 1.00 0.00 C ATOM 776 CD GLU A 48 -5.320 -13.462 -10.535 1.00 0.00 C ATOM 777 OE1 GLU A 48 -6.147 -12.554 -10.753 1.00 0.00 O ATOM 778 OE2 GLU A 48 -4.521 -13.883 -11.400 1.00 0.00 O ATOM 0 H GLU A 48 -6.757 -12.031 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.262 -14.645 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.771 -12.836 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.133 -12.236 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.268 -14.427 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.917 -14.982 -9.150 1.00 0.00 H new ATOM 785 N ILE A 49 -3.384 -13.073 -6.161 1.00 0.00 N ATOM 786 CA ILE A 49 -1.978 -13.291 -5.837 1.00 0.00 C ATOM 787 C ILE A 49 -1.494 -12.293 -4.783 1.00 0.00 C ATOM 788 O ILE A 49 -0.303 -11.992 -4.704 1.00 0.00 O ATOM 789 CB ILE A 49 -1.082 -13.182 -7.089 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.150 -11.765 -7.679 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.494 -14.214 -8.124 1.00 0.00 C ATOM 792 CD1 ILE A 49 -2.494 -11.420 -8.277 1.00 0.00 C ATOM 0 H ILE A 49 -3.651 -12.092 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.901 -14.302 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.051 -13.380 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.914 -11.044 -6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.384 -11.664 -8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.853 -14.125 -9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.394 -15.214 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.531 -14.045 -8.413 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.466 -10.405 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.724 -12.118 -9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.263 -11.488 -7.507 1.00 0.00 H new ATOM 804 N LYS A 50 -2.422 -11.798 -3.977 1.00 0.00 N ATOM 805 CA LYS A 50 -2.091 -10.843 -2.924 1.00 0.00 C ATOM 806 C LYS A 50 -1.354 -9.630 -3.488 1.00 0.00 C ATOM 807 O LYS A 50 -0.122 -9.600 -3.524 1.00 0.00 O ATOM 808 CB LYS A 50 -1.241 -11.515 -1.846 1.00 0.00 C ATOM 809 CG LYS A 50 -1.937 -12.681 -1.162 1.00 0.00 C ATOM 810 CD LYS A 50 -1.308 -14.007 -1.542 1.00 0.00 C ATOM 811 CE LYS A 50 -1.884 -15.147 -0.723 1.00 0.00 C ATOM 812 NZ LYS A 50 -1.693 -16.469 -1.397 1.00 0.00 N ATOM 0 H LYS A 50 -3.411 -12.041 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.025 -10.498 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.313 -11.869 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.969 -10.774 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.888 -12.551 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.992 -12.687 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.473 -14.199 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.230 -13.957 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.408 -15.167 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.947 -14.974 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.100 -17.222 -0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.169 -16.459 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.677 -16.646 -1.532 1.00 0.00 H new ATOM 826 N THR A 51 -2.113 -8.631 -3.927 1.00 0.00 N ATOM 827 CA THR A 51 -1.525 -7.421 -4.489 1.00 0.00 C ATOM 828 C THR A 51 -2.350 -6.188 -4.139 1.00 0.00 C ATOM 829 O THR A 51 -3.526 -6.092 -4.492 1.00 0.00 O ATOM 830 CB THR A 51 -1.402 -7.548 -6.008 1.00 0.00 C ATOM 831 OG1 THR A 51 -1.094 -8.880 -6.377 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.338 -6.650 -6.599 1.00 0.00 C ATOM 0 H THR A 51 -3.133 -8.635 -3.905 1.00 0.00 H new ATOM 0 HA THR A 51 -0.532 -7.301 -4.055 1.00 0.00 H new ATOM 0 HB THR A 51 -2.371 -7.244 -6.402 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.021 -8.941 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.303 -6.789 -7.679 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.574 -5.610 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.631 -6.903 -6.169 1.00 0.00 H new ATOM 840 N PHE A 52 -1.720 -5.242 -3.452 1.00 0.00 N ATOM 841 CA PHE A 52 -2.386 -4.006 -3.063 1.00 0.00 C ATOM 842 C PHE A 52 -2.119 -2.917 -4.094 1.00 0.00 C ATOM 843 O PHE A 52 -1.017 -2.807 -4.629 1.00 0.00 O ATOM 844 CB PHE A 52 -1.909 -3.562 -1.679 1.00 0.00 C ATOM 845 CG PHE A 52 -2.880 -3.870 -0.577 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.848 -5.096 0.069 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.821 -2.934 -0.185 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.740 -5.381 1.087 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.715 -3.212 0.831 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.675 -4.438 1.468 1.00 0.00 C ATOM 0 H PHE A 52 -0.747 -5.308 -3.153 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.460 -4.184 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.958 -4.048 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.722 -2.488 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.119 -5.836 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.857 -1.974 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.706 -6.340 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.444 -2.472 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.373 -4.658 2.262 1.00 0.00 H new ATOM 860 N THR A 53 -3.138 -2.126 -4.379 1.00 0.00 N ATOM 861 CA THR A 53 -3.019 -1.051 -5.363 1.00 0.00 C ATOM 862 C THR A 53 -3.823 0.183 -4.960 1.00 0.00 C ATOM 863 O THR A 53 -4.932 0.071 -4.440 1.00 0.00 O ATOM 864 CB THR A 53 -3.482 -1.541 -6.736 1.00 0.00 C ATOM 865 OG1 THR A 53 -3.077 -2.881 -6.952 1.00 0.00 O ATOM 866 CG2 THR A 53 -2.943 -0.708 -7.880 1.00 0.00 C ATOM 0 H THR A 53 -4.059 -2.203 -3.947 1.00 0.00 H new ATOM 0 HA THR A 53 -1.968 -0.765 -5.408 1.00 0.00 H new ATOM 0 HB THR A 53 -4.568 -1.454 -6.724 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.384 -3.177 -7.834 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.309 -1.108 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.278 0.323 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.853 -0.738 -7.870 1.00 0.00 H new ATOM 874 N VAL A 54 -3.263 1.362 -5.228 1.00 0.00 N ATOM 875 CA VAL A 54 -3.943 2.620 -4.915 1.00 0.00 C ATOM 876 C VAL A 54 -4.087 3.488 -6.165 1.00 0.00 C ATOM 877 O VAL A 54 -3.211 3.497 -7.030 1.00 0.00 O ATOM 878 CB VAL A 54 -3.221 3.416 -3.792 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.548 4.683 -4.332 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.216 3.784 -2.697 1.00 0.00 C ATOM 0 H VAL A 54 -2.345 1.473 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.935 2.358 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.440 2.776 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.055 5.210 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.809 4.410 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.300 5.332 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.704 4.342 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.011 4.398 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.645 2.875 -2.275 1.00 0.00 H new ATOM 890 N THR A 55 -5.192 4.223 -6.247 1.00 0.00 N ATOM 891 CA THR A 55 -5.441 5.100 -7.386 1.00 0.00 C ATOM 892 C THR A 55 -5.855 6.493 -6.920 1.00 0.00 C ATOM 893 O THR A 55 -6.767 6.641 -6.108 1.00 0.00 O ATOM 894 CB THR A 55 -6.518 4.505 -8.298 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.858 3.193 -7.885 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.096 4.434 -9.749 1.00 0.00 C ATOM 0 H THR A 55 -5.927 4.229 -5.540 1.00 0.00 H new ATOM 0 HA THR A 55 -4.514 5.189 -7.952 1.00 0.00 H new ATOM 0 HB THR A 55 -7.372 5.177 -8.215 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.548 2.832 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.903 4.003 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.874 5.437 -10.113 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.207 3.810 -9.839 1.00 0.00 H new ATOM 904 N GLU A 56 -5.177 7.512 -7.439 1.00 0.00 N ATOM 905 CA GLU A 56 -5.476 8.895 -7.073 1.00 0.00 C ATOM 906 C GLU A 56 -6.955 9.211 -7.281 1.00 0.00 C ATOM 907 O GLU A 56 -7.440 9.045 -8.420 1.00 0.00 O ATOM 908 CB GLU A 56 -4.620 9.864 -7.892 1.00 0.00 C ATOM 909 CG GLU A 56 -4.498 9.478 -9.357 1.00 0.00 C ATOM 910 CD GLU A 56 -4.878 10.609 -10.294 1.00 0.00 C ATOM 911 OE1 GLU A 56 -4.665 11.783 -9.923 1.00 0.00 O ATOM 912 OE2 GLU A 56 -5.389 10.321 -11.396 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.615 9.618 -6.303 1.00 0.00 O ATOM 0 H GLU A 56 -4.418 7.408 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.241 9.017 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.050 10.863 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.623 9.915 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.473 9.170 -9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.136 8.617 -9.556 1.00 0.00 H new