USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 367 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 40 SER OG : rot 180:sc= -1.38 USER MOD Set 1.2: A 44 HIS : no HD1:sc=-0.00746 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 38 SER OG : rot -86:sc= 0.536 USER MOD Set 2.2: A 39 ASN : amide:sc= -1.09 K(o=-0.56,f=-4.9!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0623 K(o=-0.062,f=-1.6!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= -1.03 (180deg=-2.07!) USER MOD Single : A 13 SER OG : rot -78:sc= 1.15 USER MOD Single : A 17 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.38) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -3.33! C(o=-3.3!,f=-7.3!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -31.076 17.533 -1.606 1.00 0.00 N ATOM 2 CA ARG A 1 -30.020 16.847 -0.881 1.00 0.00 C ATOM 3 C ARG A 1 -29.056 16.174 -1.858 1.00 0.00 C ATOM 4 O ARG A 1 -29.041 14.950 -1.978 1.00 0.00 O ATOM 5 CB ARG A 1 -30.599 15.791 0.065 1.00 0.00 C ATOM 6 CG ARG A 1 -29.521 15.250 1.006 1.00 0.00 C ATOM 7 CD ARG A 1 -29.315 13.748 0.798 1.00 0.00 C ATOM 8 NE ARG A 1 -30.565 13.018 1.105 1.00 0.00 N ATOM 9 CZ ARG A 1 -31.051 12.846 2.341 1.00 0.00 C ATOM 10 NH1 ARG A 1 -30.395 13.352 3.394 1.00 0.00 N ATOM 11 NH2 ARG A 1 -32.193 12.170 2.525 1.00 0.00 N ATOM 0 H1 ARG A 1 -31.724 17.986 -0.930 1.00 0.00 H new ATOM 0 H2 ARG A 1 -30.659 18.258 -2.224 1.00 0.00 H new ATOM 0 H3 ARG A 1 -31.603 16.847 -2.184 1.00 0.00 H new ATOM 0 HA ARG A 1 -29.484 17.591 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -31.411 16.225 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -31.025 14.972 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -28.583 15.777 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -29.807 15.442 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -29.014 13.553 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -28.509 13.391 1.439 1.00 0.00 H new ATOM 0 HE ARG A 1 -31.090 12.621 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -29.526 13.868 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -30.764 13.222 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -32.693 11.786 1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -32.562 12.040 3.467 1.00 0.00 H new ATOM 22 N ILE A 2 -28.272 17.003 -2.531 1.00 0.00 N ATOM 23 CA ILE A 2 -27.306 16.502 -3.494 1.00 0.00 C ATOM 24 C ILE A 2 -26.414 15.457 -2.820 1.00 0.00 C ATOM 25 O ILE A 2 -26.372 15.370 -1.594 1.00 0.00 O ATOM 26 CB ILE A 2 -26.528 17.660 -4.123 1.00 0.00 C ATOM 27 CG1 ILE A 2 -25.798 18.476 -3.054 1.00 0.00 C ATOM 28 CG2 ILE A 2 -27.443 18.532 -4.984 1.00 0.00 C ATOM 29 CD1 ILE A 2 -24.592 17.709 -2.507 1.00 0.00 C ATOM 0 H ILE A 2 -28.286 18.018 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 2 -27.814 16.003 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 2 -25.768 17.241 -4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -25.468 19.425 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -26.484 18.711 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -26.865 19.347 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -27.876 17.928 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -28.241 18.943 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -24.091 18.311 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -24.928 16.772 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -23.897 17.497 -3.319 1.00 0.00 H new ATOM 40 N TYR A 3 -25.724 14.690 -3.651 1.00 0.00 N ATOM 41 CA TYR A 3 -24.836 13.654 -3.151 1.00 0.00 C ATOM 42 C TYR A 3 -23.696 13.387 -4.136 1.00 0.00 C ATOM 43 O TYR A 3 -23.077 12.325 -4.100 1.00 0.00 O ATOM 44 CB TYR A 3 -25.691 12.392 -3.023 1.00 0.00 C ATOM 45 CG TYR A 3 -25.824 11.873 -1.591 1.00 0.00 C ATOM 46 CD1 TYR A 3 -24.728 11.339 -0.945 1.00 0.00 C ATOM 47 CD2 TYR A 3 -27.041 11.938 -0.943 1.00 0.00 C ATOM 48 CE1 TYR A 3 -24.853 10.851 0.404 1.00 0.00 C ATOM 49 CE2 TYR A 3 -27.167 11.450 0.405 1.00 0.00 C ATOM 50 CZ TYR A 3 -26.067 10.930 1.012 1.00 0.00 C ATOM 51 OH TYR A 3 -26.185 10.470 2.287 1.00 0.00 O ATOM 0 H TYR A 3 -25.762 14.765 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 3 -24.390 13.955 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -26.686 12.598 -3.418 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -25.258 11.608 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -23.776 11.287 -1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -27.899 12.355 -1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -24.002 10.432 0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -28.114 11.496 0.923 1.00 0.00 H new ATOM 0 HH TYR A 3 -27.108 10.591 2.594 1.00 0.00 H new ATOM 60 N LYS A 4 -23.454 14.368 -4.993 1.00 0.00 N ATOM 61 CA LYS A 4 -22.399 14.252 -5.985 1.00 0.00 C ATOM 62 C LYS A 4 -22.767 13.156 -6.987 1.00 0.00 C ATOM 63 O LYS A 4 -21.940 12.753 -7.803 1.00 0.00 O ATOM 64 CB LYS A 4 -21.046 14.034 -5.307 1.00 0.00 C ATOM 65 CG LYS A 4 -19.932 14.772 -6.054 1.00 0.00 C ATOM 66 CD LYS A 4 -19.135 15.668 -5.105 1.00 0.00 C ATOM 67 CE LYS A 4 -18.471 14.844 -4.000 1.00 0.00 C ATOM 68 NZ LYS A 4 -17.097 14.460 -4.396 1.00 0.00 N ATOM 0 H LYS A 4 -23.971 15.247 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 4 -22.301 15.181 -6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.091 14.385 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -20.821 12.968 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.265 14.050 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.363 15.375 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.374 16.211 -5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.796 16.412 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.442 15.421 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.062 13.950 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.660 13.901 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.133 13.892 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.532 15.317 -4.565 1.00 0.00 H new ATOM 78 N GLY A 5 -24.010 12.706 -6.894 1.00 0.00 N ATOM 79 CA GLY A 5 -24.497 11.664 -7.782 1.00 0.00 C ATOM 80 C GLY A 5 -24.512 12.145 -9.235 1.00 0.00 C ATOM 81 O GLY A 5 -24.714 11.353 -10.153 1.00 0.00 O ATOM 0 H GLY A 5 -24.694 13.044 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -23.864 10.781 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -25.502 11.367 -7.483 1.00 0.00 H new ATOM 85 N VAL A 6 -24.293 13.442 -9.398 1.00 0.00 N ATOM 86 CA VAL A 6 -24.278 14.038 -10.723 1.00 0.00 C ATOM 87 C VAL A 6 -22.882 13.886 -11.330 1.00 0.00 C ATOM 88 O VAL A 6 -21.879 14.100 -10.649 1.00 0.00 O ATOM 89 CB VAL A 6 -24.743 15.494 -10.647 1.00 0.00 C ATOM 90 CG1 VAL A 6 -24.411 16.243 -11.939 1.00 0.00 C ATOM 91 CG2 VAL A 6 -26.237 15.577 -10.334 1.00 0.00 C ATOM 0 H VAL A 6 -24.125 14.097 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 6 -24.976 13.522 -11.382 1.00 0.00 H new ATOM 0 HB VAL A 6 -24.203 15.976 -9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -24.752 17.275 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -23.333 16.228 -12.101 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -24.911 15.760 -12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -26.541 16.623 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -26.801 15.071 -11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -26.435 15.097 -9.376 1.00 0.00 H new ATOM 101 N ILE A 7 -22.861 13.519 -12.602 1.00 0.00 N ATOM 102 CA ILE A 7 -21.604 13.337 -13.308 1.00 0.00 C ATOM 103 C ILE A 7 -21.081 14.699 -13.770 1.00 0.00 C ATOM 104 O ILE A 7 -19.913 15.023 -13.561 1.00 0.00 O ATOM 105 CB ILE A 7 -21.769 12.324 -14.443 1.00 0.00 C ATOM 106 CG1 ILE A 7 -22.234 13.013 -15.729 1.00 0.00 C ATOM 107 CG2 ILE A 7 -22.705 11.187 -14.031 1.00 0.00 C ATOM 108 CD1 ILE A 7 -22.241 12.033 -16.903 1.00 0.00 C ATOM 0 H ILE A 7 -23.695 13.343 -13.163 1.00 0.00 H new ATOM 0 HA ILE A 7 -20.851 12.915 -12.642 1.00 0.00 H new ATOM 0 HB ILE A 7 -20.795 11.880 -14.649 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.234 13.422 -15.586 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -21.576 13.852 -15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.805 10.481 -14.856 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.293 10.674 -13.162 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -23.685 11.595 -13.781 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -22.575 12.547 -17.804 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -21.235 11.645 -17.059 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.918 11.208 -16.684 1.00 0.00 H new ATOM 119 N GLN A 8 -21.972 15.460 -14.388 1.00 0.00 N ATOM 120 CA GLN A 8 -21.614 16.779 -14.882 1.00 0.00 C ATOM 121 C GLN A 8 -21.065 17.641 -13.743 1.00 0.00 C ATOM 122 O GLN A 8 -20.285 18.563 -13.978 1.00 0.00 O ATOM 123 CB GLN A 8 -22.811 17.456 -15.553 1.00 0.00 C ATOM 124 CG GLN A 8 -23.815 16.418 -16.062 1.00 0.00 C ATOM 125 CD GLN A 8 -24.688 17.001 -17.175 1.00 0.00 C ATOM 126 OE1 GLN A 8 -24.562 18.151 -17.561 1.00 0.00 O ATOM 127 NE2 GLN A 8 -25.578 16.144 -17.668 1.00 0.00 N ATOM 0 H GLN A 8 -22.941 15.189 -14.558 1.00 0.00 H new ATOM 0 HA GLN A 8 -20.834 16.665 -15.634 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -23.301 18.123 -14.844 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -22.466 18.072 -16.384 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -23.282 15.543 -16.433 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -24.445 16.082 -15.239 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -25.631 15.195 -17.299 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -26.208 16.436 -18.415 1.00 0.00 H new ATOM 134 N ALA A 9 -21.494 17.310 -12.534 1.00 0.00 N ATOM 135 CA ALA A 9 -21.054 18.043 -11.358 1.00 0.00 C ATOM 136 C ALA A 9 -19.555 18.330 -11.473 1.00 0.00 C ATOM 137 O ALA A 9 -19.065 19.314 -10.921 1.00 0.00 O ATOM 138 CB ALA A 9 -21.400 17.242 -10.100 1.00 0.00 C ATOM 0 H ALA A 9 -22.141 16.545 -12.343 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.568 19.001 -11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.071 17.790 -9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -22.478 17.089 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.898 16.275 -10.135 1.00 0.00 H new ATOM 144 N ILE A 10 -18.870 17.453 -12.192 1.00 0.00 N ATOM 145 CA ILE A 10 -17.437 17.601 -12.385 1.00 0.00 C ATOM 146 C ILE A 10 -17.130 19.040 -12.806 1.00 0.00 C ATOM 147 O ILE A 10 -16.012 19.519 -12.621 1.00 0.00 O ATOM 148 CB ILE A 10 -16.919 16.548 -13.367 1.00 0.00 C ATOM 149 CG1 ILE A 10 -16.621 15.230 -12.652 1.00 0.00 C ATOM 150 CG2 ILE A 10 -15.704 17.070 -14.138 1.00 0.00 C ATOM 151 CD1 ILE A 10 -17.116 14.037 -13.472 1.00 0.00 C ATOM 0 H ILE A 10 -19.280 16.638 -12.648 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.905 17.422 -11.451 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.703 16.347 -14.097 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.548 15.139 -12.482 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.100 15.227 -11.673 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.355 16.303 -14.829 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.984 17.962 -14.698 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.907 17.317 -13.437 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.891 13.112 -12.941 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.193 14.119 -13.619 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -16.617 14.029 -14.441 1.00 0.00 H new ATOM 162 N GLN A 11 -18.141 19.688 -13.364 1.00 0.00 N ATOM 163 CA GLN A 11 -17.993 21.062 -13.812 1.00 0.00 C ATOM 164 C GLN A 11 -17.305 21.902 -12.732 1.00 0.00 C ATOM 165 O GLN A 11 -16.716 22.940 -13.030 1.00 0.00 O ATOM 166 CB GLN A 11 -19.347 21.664 -14.194 1.00 0.00 C ATOM 167 CG GLN A 11 -19.203 22.638 -15.365 1.00 0.00 C ATOM 168 CD GLN A 11 -20.082 22.214 -16.543 1.00 0.00 C ATOM 169 OE1 GLN A 11 -21.240 22.583 -16.652 1.00 0.00 O ATOM 170 NE2 GLN A 11 -19.469 21.419 -17.416 1.00 0.00 N ATOM 0 H GLN A 11 -19.066 19.287 -13.516 1.00 0.00 H new ATOM 0 HA GLN A 11 -17.366 21.067 -14.703 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -20.041 20.867 -14.462 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -19.774 22.182 -13.335 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -19.480 23.642 -15.043 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -18.161 22.680 -15.681 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -18.497 21.148 -17.264 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.971 21.080 -18.237 1.00 0.00 H new ATOM 177 N LYS A 12 -17.404 21.420 -11.502 1.00 0.00 N ATOM 178 CA LYS A 12 -16.799 22.113 -10.378 1.00 0.00 C ATOM 179 C LYS A 12 -15.377 22.538 -10.750 1.00 0.00 C ATOM 180 O LYS A 12 -14.891 23.567 -10.284 1.00 0.00 O ATOM 181 CB LYS A 12 -16.872 21.252 -9.115 1.00 0.00 C ATOM 182 CG LYS A 12 -16.321 19.848 -9.376 1.00 0.00 C ATOM 183 CD LYS A 12 -16.791 18.865 -8.302 1.00 0.00 C ATOM 184 CE LYS A 12 -18.236 19.152 -7.892 1.00 0.00 C ATOM 185 NZ LYS A 12 -18.832 17.968 -7.233 1.00 0.00 N ATOM 0 H LYS A 12 -17.894 20.559 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.354 23.023 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -16.305 21.726 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -17.906 21.184 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.646 19.503 -10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -15.232 19.879 -9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.711 17.845 -8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.141 18.935 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.266 20.006 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.823 19.421 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.817 17.855 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.288 17.119 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.811 18.098 -6.201 1.00 0.00 H new ATOM 195 N SER A 13 -14.751 21.724 -11.588 1.00 0.00 N ATOM 196 CA SER A 13 -13.395 22.003 -12.028 1.00 0.00 C ATOM 197 C SER A 13 -13.342 23.362 -12.730 1.00 0.00 C ATOM 198 O SER A 13 -12.359 24.090 -12.604 1.00 0.00 O ATOM 199 CB SER A 13 -12.883 20.903 -12.961 1.00 0.00 C ATOM 200 OG SER A 13 -13.870 20.502 -13.907 1.00 0.00 O ATOM 0 H SER A 13 -15.158 20.872 -11.973 1.00 0.00 H new ATOM 0 HA SER A 13 -12.748 22.029 -11.151 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.998 21.259 -13.489 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.576 20.040 -12.370 1.00 0.00 H new ATOM 0 HG SER A 13 -14.517 19.907 -13.473 1.00 0.00 H new ATOM 205 N ASP A 14 -14.411 23.661 -13.454 1.00 0.00 N ATOM 206 CA ASP A 14 -14.498 24.918 -14.175 1.00 0.00 C ATOM 207 C ASP A 14 -14.720 26.059 -13.179 1.00 0.00 C ATOM 208 O ASP A 14 -14.300 27.189 -13.420 1.00 0.00 O ATOM 209 CB ASP A 14 -15.673 24.912 -15.154 1.00 0.00 C ATOM 210 CG ASP A 14 -15.367 25.494 -16.536 1.00 0.00 C ATOM 211 OD1 ASP A 14 -14.210 25.926 -16.725 1.00 0.00 O ATOM 212 OD2 ASP A 14 -16.297 25.492 -17.371 1.00 0.00 O ATOM 0 H ASP A 14 -15.224 23.054 -13.556 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.568 25.054 -14.728 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.018 23.886 -15.277 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.496 25.475 -14.714 1.00 0.00 H new ATOM 216 N GLU A 15 -15.379 25.722 -12.080 1.00 0.00 N ATOM 217 CA GLU A 15 -15.661 26.703 -11.047 1.00 0.00 C ATOM 218 C GLU A 15 -14.359 27.200 -10.416 1.00 0.00 C ATOM 219 O GLU A 15 -14.352 28.208 -9.711 1.00 0.00 O ATOM 220 CB GLU A 15 -16.599 26.126 -9.984 1.00 0.00 C ATOM 221 CG GLU A 15 -18.021 26.661 -10.159 1.00 0.00 C ATOM 222 CD GLU A 15 -18.221 27.957 -9.371 1.00 0.00 C ATOM 223 OE1 GLU A 15 -18.409 27.850 -8.140 1.00 0.00 O ATOM 224 OE2 GLU A 15 -18.179 29.026 -10.017 1.00 0.00 O ATOM 0 H GLU A 15 -15.726 24.783 -11.883 1.00 0.00 H new ATOM 0 HA GLU A 15 -16.165 27.552 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.605 25.038 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.230 26.382 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.218 26.840 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -18.739 25.913 -9.823 1.00 0.00 H new ATOM 229 N GLY A 16 -13.289 26.469 -10.692 1.00 0.00 N ATOM 230 CA GLY A 16 -11.984 26.824 -10.162 1.00 0.00 C ATOM 231 C GLY A 16 -11.982 26.777 -8.632 1.00 0.00 C ATOM 232 O GLY A 16 -11.728 27.786 -7.977 1.00 0.00 O ATOM 0 H GLY A 16 -13.299 25.633 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.231 26.139 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.710 27.824 -10.499 1.00 0.00 H new ATOM 236 N HIS A 17 -12.270 25.594 -8.108 1.00 0.00 N ATOM 237 CA HIS A 17 -12.306 25.403 -6.668 1.00 0.00 C ATOM 238 C HIS A 17 -11.030 25.971 -6.043 1.00 0.00 C ATOM 239 O HIS A 17 -10.025 26.149 -6.728 1.00 0.00 O ATOM 240 CB HIS A 17 -12.531 23.929 -6.322 1.00 0.00 C ATOM 241 CG HIS A 17 -11.864 22.966 -7.275 1.00 0.00 C ATOM 242 ND1 HIS A 17 -10.540 23.087 -7.659 1.00 0.00 N ATOM 243 CD2 HIS A 17 -12.352 21.865 -7.915 1.00 0.00 C ATOM 244 CE1 HIS A 17 -10.255 22.099 -8.494 1.00 0.00 C ATOM 245 NE2 HIS A 17 -11.379 21.342 -8.651 1.00 0.00 N ATOM 0 H HIS A 17 -12.480 24.759 -8.655 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.150 25.949 -6.245 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.160 23.742 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.602 23.729 -6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.359 21.483 -7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -9.300 21.924 -8.967 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -11.459 20.511 -9.237 1.00 0.00 H new ATOM 253 N PRO A 18 -11.116 26.248 -4.714 1.00 0.00 N ATOM 254 CA PRO A 18 -9.981 26.793 -3.989 1.00 0.00 C ATOM 255 C PRO A 18 -8.926 25.715 -3.732 1.00 0.00 C ATOM 256 O PRO A 18 -9.096 24.566 -4.137 1.00 0.00 O ATOM 257 CB PRO A 18 -10.569 27.364 -2.709 1.00 0.00 C ATOM 258 CG PRO A 18 -11.933 26.711 -2.550 1.00 0.00 C ATOM 259 CD PRO A 18 -12.290 26.050 -3.871 1.00 0.00 C ATOM 0 HA PRO A 18 -9.456 27.566 -4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.929 27.146 -1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.660 28.448 -2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.912 25.974 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.683 27.454 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.507 24.990 -3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -13.177 26.504 -4.314 1.00 0.00 H new ATOM 264 N PHE A 19 -7.859 26.124 -3.061 1.00 0.00 N ATOM 265 CA PHE A 19 -6.776 25.208 -2.745 1.00 0.00 C ATOM 266 C PHE A 19 -7.062 24.448 -1.448 1.00 0.00 C ATOM 267 O PHE A 19 -6.710 23.276 -1.321 1.00 0.00 O ATOM 268 CB PHE A 19 -5.515 26.054 -2.560 1.00 0.00 C ATOM 269 CG PHE A 19 -5.344 27.153 -3.610 1.00 0.00 C ATOM 270 CD1 PHE A 19 -4.713 26.881 -4.783 1.00 0.00 C ATOM 271 CD2 PHE A 19 -5.822 28.404 -3.369 1.00 0.00 C ATOM 272 CE1 PHE A 19 -4.553 27.902 -5.757 1.00 0.00 C ATOM 273 CE2 PHE A 19 -5.662 29.424 -4.342 1.00 0.00 C ATOM 274 CZ PHE A 19 -5.031 29.152 -5.516 1.00 0.00 C ATOM 0 H PHE A 19 -7.721 27.078 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.661 24.477 -3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.538 26.511 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.644 25.400 -2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.333 25.888 -4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.323 28.620 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.052 27.686 -6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.041 30.417 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.910 29.929 -6.257 1.00 0.00 H new ATOM 283 N ARG A 20 -7.697 25.146 -0.518 1.00 0.00 N ATOM 284 CA ARG A 20 -8.033 24.552 0.764 1.00 0.00 C ATOM 285 C ARG A 20 -9.143 23.512 0.592 1.00 0.00 C ATOM 286 O ARG A 20 -9.192 22.524 1.324 1.00 0.00 O ATOM 287 CB ARG A 20 -8.492 25.617 1.761 1.00 0.00 C ATOM 288 CG ARG A 20 -7.320 26.120 2.606 1.00 0.00 C ATOM 289 CD ARG A 20 -6.581 24.954 3.267 1.00 0.00 C ATOM 290 NE ARG A 20 -6.442 25.202 4.718 1.00 0.00 N ATOM 291 CZ ARG A 20 -5.550 24.584 5.504 1.00 0.00 C ATOM 292 NH1 ARG A 20 -4.713 23.676 4.982 1.00 0.00 N ATOM 293 NH2 ARG A 20 -5.494 24.872 6.811 1.00 0.00 N ATOM 0 H ARG A 20 -7.988 26.118 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.135 24.070 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.943 26.452 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.262 25.203 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.630 26.684 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.686 26.804 3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.126 24.025 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.597 24.833 2.814 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.064 25.887 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.755 23.456 3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.034 23.205 5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.131 25.562 7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.815 24.401 7.408 1.00 0.00 H new ATOM 304 N ALA A 21 -10.006 23.770 -0.380 1.00 0.00 N ATOM 305 CA ALA A 21 -11.112 22.868 -0.657 1.00 0.00 C ATOM 306 C ALA A 21 -10.562 21.480 -0.987 1.00 0.00 C ATOM 307 O ALA A 21 -11.165 20.469 -0.632 1.00 0.00 O ATOM 308 CB ALA A 21 -11.967 23.442 -1.788 1.00 0.00 C ATOM 0 H ALA A 21 -9.962 24.590 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.754 22.767 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.796 22.766 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.358 24.415 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.357 23.554 -2.684 1.00 0.00 H new ATOM 314 N TYR A 22 -9.423 21.476 -1.664 1.00 0.00 N ATOM 315 CA TYR A 22 -8.785 20.228 -2.047 1.00 0.00 C ATOM 316 C TYR A 22 -8.128 19.555 -0.840 1.00 0.00 C ATOM 317 O TYR A 22 -8.120 18.329 -0.737 1.00 0.00 O ATOM 318 CB TYR A 22 -7.700 20.602 -3.059 1.00 0.00 C ATOM 319 CG TYR A 22 -7.790 19.833 -4.380 1.00 0.00 C ATOM 320 CD1 TYR A 22 -8.837 20.070 -5.246 1.00 0.00 C ATOM 321 CD2 TYR A 22 -6.822 18.904 -4.703 1.00 0.00 C ATOM 322 CE1 TYR A 22 -8.921 19.347 -6.489 1.00 0.00 C ATOM 323 CE2 TYR A 22 -6.906 18.181 -5.946 1.00 0.00 C ATOM 324 CZ TYR A 22 -7.952 18.438 -6.777 1.00 0.00 C ATOM 325 OH TYR A 22 -8.030 17.756 -7.951 1.00 0.00 O ATOM 0 H TYR A 22 -8.926 22.317 -1.957 1.00 0.00 H new ATOM 0 HA TYR A 22 -9.518 19.533 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.764 21.670 -3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.722 20.422 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.594 20.798 -4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.002 18.719 -4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.735 19.523 -7.176 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.156 17.451 -6.212 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.270 17.142 -8.023 1.00 0.00 H new ATOM 334 N LEU A 23 -7.593 20.386 0.042 1.00 0.00 N ATOM 335 CA LEU A 23 -6.936 19.887 1.238 1.00 0.00 C ATOM 336 C LEU A 23 -7.901 18.979 2.003 1.00 0.00 C ATOM 337 O LEU A 23 -7.531 17.879 2.412 1.00 0.00 O ATOM 338 CB LEU A 23 -6.390 21.046 2.074 1.00 0.00 C ATOM 339 CG LEU A 23 -6.476 20.877 3.592 1.00 0.00 C ATOM 340 CD1 LEU A 23 -7.926 20.962 4.072 1.00 0.00 C ATOM 341 CD2 LEU A 23 -5.798 19.581 4.038 1.00 0.00 C ATOM 0 H LEU A 23 -7.601 21.402 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.070 19.281 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.345 21.202 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.929 21.952 1.798 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.935 21.700 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.959 20.839 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.341 21.934 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.513 20.174 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.873 19.485 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.289 18.731 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.748 19.601 3.748 1.00 0.00 H new ATOM 352 N GLU A 24 -9.119 19.472 2.175 1.00 0.00 N ATOM 353 CA GLU A 24 -10.139 18.718 2.883 1.00 0.00 C ATOM 354 C GLU A 24 -10.280 17.319 2.281 1.00 0.00 C ATOM 355 O GLU A 24 -10.676 16.380 2.970 1.00 0.00 O ATOM 356 CB GLU A 24 -11.477 19.459 2.868 1.00 0.00 C ATOM 357 CG GLU A 24 -12.180 19.349 4.222 1.00 0.00 C ATOM 358 CD GLU A 24 -12.443 20.733 4.818 1.00 0.00 C ATOM 359 OE1 GLU A 24 -11.455 21.488 4.957 1.00 0.00 O ATOM 360 OE2 GLU A 24 -13.624 21.007 5.122 1.00 0.00 O ATOM 0 H GLU A 24 -9.422 20.385 1.836 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.830 18.614 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.313 20.509 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.116 19.046 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.123 18.815 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.567 18.765 4.908 1.00 0.00 H new ATOM 365 N SER A 25 -9.947 17.223 1.002 1.00 0.00 N ATOM 366 CA SER A 25 -10.031 15.954 0.301 1.00 0.00 C ATOM 367 C SER A 25 -9.219 14.890 1.042 1.00 0.00 C ATOM 368 O SER A 25 -9.430 13.695 0.845 1.00 0.00 O ATOM 369 CB SER A 25 -9.537 16.089 -1.142 1.00 0.00 C ATOM 370 OG SER A 25 -9.930 14.981 -1.946 1.00 0.00 O ATOM 0 H SER A 25 -9.619 18.004 0.433 1.00 0.00 H new ATOM 0 HA SER A 25 -11.077 15.648 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.930 17.009 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.450 16.173 -1.147 1.00 0.00 H new ATOM 0 HG SER A 25 -9.597 15.105 -2.859 1.00 0.00 H new ATOM 375 N GLU A 26 -8.309 15.364 1.880 1.00 0.00 N ATOM 376 CA GLU A 26 -7.465 14.468 2.653 1.00 0.00 C ATOM 377 C GLU A 26 -8.325 13.542 3.516 1.00 0.00 C ATOM 378 O GLU A 26 -8.059 12.344 3.600 1.00 0.00 O ATOM 379 CB GLU A 26 -6.474 15.255 3.513 1.00 0.00 C ATOM 380 CG GLU A 26 -7.202 16.259 4.409 1.00 0.00 C ATOM 381 CD GLU A 26 -7.372 15.705 5.826 1.00 0.00 C ATOM 382 OE1 GLU A 26 -6.535 14.860 6.210 1.00 0.00 O ATOM 383 OE2 GLU A 26 -8.336 16.140 6.493 1.00 0.00 O ATOM 0 H GLU A 26 -8.137 16.357 2.041 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.888 13.855 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.894 14.567 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.767 15.781 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.642 17.193 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.179 16.489 3.985 1.00 0.00 H new ATOM 388 N VAL A 27 -9.336 14.132 4.134 1.00 0.00 N ATOM 389 CA VAL A 27 -10.236 13.374 4.987 1.00 0.00 C ATOM 390 C VAL A 27 -11.166 12.527 4.116 1.00 0.00 C ATOM 391 O VAL A 27 -11.528 11.413 4.489 1.00 0.00 O ATOM 392 CB VAL A 27 -10.992 14.321 5.923 1.00 0.00 C ATOM 393 CG1 VAL A 27 -12.241 14.882 5.243 1.00 0.00 C ATOM 394 CG2 VAL A 27 -11.349 13.622 7.237 1.00 0.00 C ATOM 0 H VAL A 27 -9.553 15.126 4.062 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.673 12.690 5.623 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.334 15.158 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.759 15.551 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.952 15.433 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.904 14.062 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.885 14.316 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.980 12.758 7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.436 13.294 7.734 1.00 0.00 H new ATOM 404 N ALA A 28 -11.526 13.088 2.971 1.00 0.00 N ATOM 405 CA ALA A 28 -12.407 12.400 2.043 1.00 0.00 C ATOM 406 C ALA A 28 -11.695 11.161 1.496 1.00 0.00 C ATOM 407 O ALA A 28 -12.316 10.115 1.308 1.00 0.00 O ATOM 408 CB ALA A 28 -12.835 13.362 0.935 1.00 0.00 C ATOM 0 H ALA A 28 -11.223 14.013 2.665 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.312 12.065 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.496 12.845 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.361 14.210 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.954 13.718 0.402 1.00 0.00 H new ATOM 414 N ILE A 29 -10.401 11.319 1.257 1.00 0.00 N ATOM 415 CA ILE A 29 -9.598 10.226 0.735 1.00 0.00 C ATOM 416 C ILE A 29 -9.251 9.265 1.873 1.00 0.00 C ATOM 417 O ILE A 29 -9.152 8.057 1.663 1.00 0.00 O ATOM 418 CB ILE A 29 -8.374 10.767 -0.007 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.269 11.164 0.973 1.00 0.00 C ATOM 420 CG2 ILE A 29 -8.761 11.922 -0.933 1.00 0.00 C ATOM 421 CD1 ILE A 29 -5.948 11.407 0.242 1.00 0.00 C ATOM 0 H ILE A 29 -9.889 12.187 1.415 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.164 9.657 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.976 9.970 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.562 12.066 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.138 10.378 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.873 12.288 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.488 11.573 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.198 12.729 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.180 11.688 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.645 10.496 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.076 12.210 -0.483 1.00 0.00 H new ATOM 432 N SER A 30 -9.076 9.836 3.056 1.00 0.00 N ATOM 433 CA SER A 30 -8.742 9.046 4.227 1.00 0.00 C ATOM 434 C SER A 30 -9.749 7.906 4.394 1.00 0.00 C ATOM 435 O SER A 30 -9.363 6.744 4.509 1.00 0.00 O ATOM 436 CB SER A 30 -8.710 9.913 5.487 1.00 0.00 C ATOM 437 OG SER A 30 -7.915 9.331 6.517 1.00 0.00 O ATOM 0 H SER A 30 -9.160 10.838 3.228 1.00 0.00 H new ATOM 0 HA SER A 30 -7.747 8.626 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.316 10.899 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.727 10.059 5.852 1.00 0.00 H new ATOM 0 HG SER A 30 -7.919 9.916 7.303 1.00 0.00 H new ATOM 442 N GLU A 31 -11.020 8.278 4.403 1.00 0.00 N ATOM 443 CA GLU A 31 -12.086 7.302 4.553 1.00 0.00 C ATOM 444 C GLU A 31 -12.049 6.296 3.401 1.00 0.00 C ATOM 445 O GLU A 31 -12.350 5.118 3.591 1.00 0.00 O ATOM 446 CB GLU A 31 -13.451 7.989 4.639 1.00 0.00 C ATOM 447 CG GLU A 31 -14.558 7.077 4.104 1.00 0.00 C ATOM 448 CD GLU A 31 -15.930 7.734 4.257 1.00 0.00 C ATOM 449 OE1 GLU A 31 -16.247 8.592 3.406 1.00 0.00 O ATOM 450 OE2 GLU A 31 -16.633 7.363 5.223 1.00 0.00 O ATOM 0 H GLU A 31 -11.336 9.243 4.309 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.930 6.762 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.663 8.256 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.432 8.917 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.373 6.853 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.543 6.128 4.640 1.00 0.00 H new ATOM 455 N GLU A 32 -11.680 6.796 2.231 1.00 0.00 N ATOM 456 CA GLU A 32 -11.601 5.955 1.049 1.00 0.00 C ATOM 457 C GLU A 32 -10.377 5.040 1.129 1.00 0.00 C ATOM 458 O GLU A 32 -10.395 3.927 0.604 1.00 0.00 O ATOM 459 CB GLU A 32 -11.569 6.801 -0.225 1.00 0.00 C ATOM 460 CG GLU A 32 -12.691 6.395 -1.181 1.00 0.00 C ATOM 461 CD GLU A 32 -13.253 7.614 -1.917 1.00 0.00 C ATOM 462 OE1 GLU A 32 -14.089 8.312 -1.302 1.00 0.00 O ATOM 463 OE2 GLU A 32 -12.835 7.820 -3.077 1.00 0.00 O ATOM 0 H GLU A 32 -11.432 7.773 2.076 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.495 5.332 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.669 7.856 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.605 6.684 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.314 5.672 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.488 5.903 -0.624 1.00 0.00 H new ATOM 468 N LEU A 33 -9.346 5.541 1.791 1.00 0.00 N ATOM 469 CA LEU A 33 -8.116 4.782 1.948 1.00 0.00 C ATOM 470 C LEU A 33 -8.259 3.826 3.133 1.00 0.00 C ATOM 471 O LEU A 33 -7.969 2.637 3.015 1.00 0.00 O ATOM 472 CB LEU A 33 -6.916 5.724 2.060 1.00 0.00 C ATOM 473 CG LEU A 33 -5.546 5.054 2.182 1.00 0.00 C ATOM 474 CD1 LEU A 33 -5.456 4.220 3.461 1.00 0.00 C ATOM 475 CD2 LEU A 33 -5.227 4.227 0.935 1.00 0.00 C ATOM 0 H LEU A 33 -9.336 6.464 2.226 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.931 4.170 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.905 6.372 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.063 6.366 2.929 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.789 5.835 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.472 3.755 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.608 4.864 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.223 3.446 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.248 3.762 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.984 3.453 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.221 4.876 0.059 1.00 0.00 H new ATOM 486 N VAL A 34 -8.707 4.382 4.250 1.00 0.00 N ATOM 487 CA VAL A 34 -8.893 3.593 5.456 1.00 0.00 C ATOM 488 C VAL A 34 -9.802 2.402 5.146 1.00 0.00 C ATOM 489 O VAL A 34 -9.552 1.289 5.606 1.00 0.00 O ATOM 490 CB VAL A 34 -9.428 4.478 6.583 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.602 5.758 6.714 1.00 0.00 C ATOM 492 CG2 VAL A 34 -10.908 4.800 6.371 1.00 0.00 C ATOM 0 H VAL A 34 -8.946 5.369 4.345 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.940 3.192 5.801 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.336 3.923 7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.004 6.369 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.566 5.501 6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.647 6.317 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.264 5.430 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.034 5.325 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.483 3.874 6.351 1.00 0.00 H new ATOM 502 N GLN A 35 -10.840 2.677 4.371 1.00 0.00 N ATOM 503 CA GLN A 35 -11.789 1.644 3.995 1.00 0.00 C ATOM 504 C GLN A 35 -11.071 0.499 3.278 1.00 0.00 C ATOM 505 O GLN A 35 -11.567 -0.626 3.243 1.00 0.00 O ATOM 506 CB GLN A 35 -12.910 2.217 3.126 1.00 0.00 C ATOM 507 CG GLN A 35 -12.398 2.554 1.723 1.00 0.00 C ATOM 508 CD GLN A 35 -13.422 2.161 0.657 1.00 0.00 C ATOM 509 OE1 GLN A 35 -13.294 1.158 -0.025 1.00 0.00 O ATOM 510 NE2 GLN A 35 -14.445 3.005 0.552 1.00 0.00 N ATOM 0 H GLN A 35 -11.045 3.602 3.993 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.244 1.250 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.725 1.497 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.316 3.114 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.188 3.622 1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.459 2.033 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.492 3.827 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.183 2.830 -0.131 1.00 0.00 H new ATOM 517 N LYS A 36 -9.912 0.825 2.723 1.00 0.00 N ATOM 518 CA LYS A 36 -9.120 -0.161 2.009 1.00 0.00 C ATOM 519 C LYS A 36 -8.657 -1.243 2.987 1.00 0.00 C ATOM 520 O LYS A 36 -8.504 -2.402 2.609 1.00 0.00 O ATOM 521 CB LYS A 36 -7.975 0.516 1.253 1.00 0.00 C ATOM 522 CG LYS A 36 -8.499 1.632 0.349 1.00 0.00 C ATOM 523 CD LYS A 36 -7.415 2.108 -0.620 1.00 0.00 C ATOM 524 CE LYS A 36 -7.567 1.436 -1.987 1.00 0.00 C ATOM 525 NZ LYS A 36 -6.284 0.835 -2.414 1.00 0.00 N ATOM 0 H LYS A 36 -9.503 1.759 2.754 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.724 -0.656 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.257 0.926 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.443 -0.223 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.362 1.275 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.840 2.469 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.474 3.190 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.431 1.884 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.337 0.666 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.896 2.168 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.404 0.383 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.558 1.577 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.986 0.122 -1.718 1.00 0.00 H new ATOM 535 N TYR A 37 -8.448 -0.823 4.227 1.00 0.00 N ATOM 536 CA TYR A 37 -8.005 -1.741 5.262 1.00 0.00 C ATOM 537 C TYR A 37 -8.750 -3.074 5.168 1.00 0.00 C ATOM 538 O TYR A 37 -8.234 -4.109 5.590 1.00 0.00 O ATOM 539 CB TYR A 37 -8.349 -1.072 6.595 1.00 0.00 C ATOM 540 CG TYR A 37 -9.772 -1.350 7.082 1.00 0.00 C ATOM 541 CD1 TYR A 37 -10.851 -1.021 6.287 1.00 0.00 C ATOM 542 CD2 TYR A 37 -9.978 -1.931 8.318 1.00 0.00 C ATOM 543 CE1 TYR A 37 -12.191 -1.283 6.746 1.00 0.00 C ATOM 544 CE2 TYR A 37 -11.317 -2.194 8.776 1.00 0.00 C ATOM 545 CZ TYR A 37 -12.357 -1.857 7.967 1.00 0.00 C ATOM 546 OH TYR A 37 -13.623 -2.105 8.401 1.00 0.00 O ATOM 0 H TYR A 37 -8.577 0.140 4.537 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.940 -1.948 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.644 -1.412 7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.214 0.005 6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.691 -0.567 5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.134 -2.188 8.941 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.044 -1.029 6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.492 -2.649 9.740 1.00 0.00 H new ATOM 0 HH TYR A 37 -13.589 -2.518 9.289 1.00 0.00 H new ATOM 555 N SER A 38 -9.950 -3.007 4.612 1.00 0.00 N ATOM 556 CA SER A 38 -10.771 -4.196 4.457 1.00 0.00 C ATOM 557 C SER A 38 -10.011 -5.257 3.658 1.00 0.00 C ATOM 558 O SER A 38 -10.128 -6.449 3.935 1.00 0.00 O ATOM 559 CB SER A 38 -12.097 -3.864 3.770 1.00 0.00 C ATOM 560 OG SER A 38 -11.907 -3.411 2.432 1.00 0.00 O ATOM 0 H SER A 38 -10.374 -2.148 4.263 1.00 0.00 H new ATOM 0 HA SER A 38 -10.995 -4.588 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.735 -4.748 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.619 -3.097 4.342 1.00 0.00 H new ATOM 0 HG SER A 38 -11.748 -2.444 2.433 1.00 0.00 H new ATOM 565 N ASN A 39 -9.248 -4.784 2.685 1.00 0.00 N ATOM 566 CA ASN A 39 -8.467 -5.676 1.844 1.00 0.00 C ATOM 567 C ASN A 39 -7.545 -6.522 2.724 1.00 0.00 C ATOM 568 O ASN A 39 -7.197 -7.645 2.365 1.00 0.00 O ATOM 569 CB ASN A 39 -7.596 -4.889 0.865 1.00 0.00 C ATOM 570 CG ASN A 39 -8.422 -3.842 0.113 1.00 0.00 C ATOM 571 OD1 ASN A 39 -9.595 -3.634 0.378 1.00 0.00 O ATOM 572 ND2 ASN A 39 -7.747 -3.200 -0.835 1.00 0.00 N ATOM 0 H ASN A 39 -9.153 -3.794 2.459 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.160 -6.304 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.787 -4.399 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.134 -5.573 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.210 -2.483 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.766 -3.424 -1.004 1.00 0.00 H new ATOM 578 N SER A 40 -7.175 -5.949 3.860 1.00 0.00 N ATOM 579 CA SER A 40 -6.299 -6.636 4.794 1.00 0.00 C ATOM 580 C SER A 40 -6.916 -7.975 5.202 1.00 0.00 C ATOM 581 O SER A 40 -6.227 -8.846 5.730 1.00 0.00 O ATOM 582 CB SER A 40 -6.031 -5.777 6.032 1.00 0.00 C ATOM 583 OG SER A 40 -4.728 -5.998 6.563 1.00 0.00 O ATOM 0 H SER A 40 -7.466 -5.017 4.155 1.00 0.00 H new ATOM 0 HA SER A 40 -5.346 -6.818 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.143 -4.724 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.776 -5.999 6.796 1.00 0.00 H new ATOM 0 HG SER A 40 -4.595 -5.431 7.351 1.00 0.00 H new ATOM 588 N ALA A 41 -8.209 -8.099 4.941 1.00 0.00 N ATOM 589 CA ALA A 41 -8.928 -9.316 5.274 1.00 0.00 C ATOM 590 C ALA A 41 -8.434 -10.455 4.378 1.00 0.00 C ATOM 591 O ALA A 41 -8.355 -11.603 4.815 1.00 0.00 O ATOM 592 CB ALA A 41 -10.432 -9.078 5.136 1.00 0.00 C ATOM 0 H ALA A 41 -8.778 -7.375 4.502 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.738 -9.602 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.970 -9.993 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.738 -8.280 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.662 -8.791 4.110 1.00 0.00 H new ATOM 598 N LEU A 42 -8.113 -10.098 3.144 1.00 0.00 N ATOM 599 CA LEU A 42 -7.629 -11.076 2.184 1.00 0.00 C ATOM 600 C LEU A 42 -6.393 -11.774 2.753 1.00 0.00 C ATOM 601 O LEU A 42 -6.499 -12.845 3.349 1.00 0.00 O ATOM 602 CB LEU A 42 -7.392 -10.417 0.823 1.00 0.00 C ATOM 603 CG LEU A 42 -8.646 -9.980 0.062 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.543 -9.106 0.940 1.00 0.00 C ATOM 605 CD2 LEU A 42 -8.276 -9.286 -1.251 1.00 0.00 C ATOM 0 H LEU A 42 -8.178 -9.145 2.786 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.380 -11.847 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.757 -9.543 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.835 -11.113 0.196 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.218 -10.871 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.427 -8.809 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.848 -9.669 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.994 -8.216 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.185 -8.985 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.671 -8.404 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.708 -9.973 -1.878 1.00 0.00 H new ATOM 616 N GLY A 43 -5.248 -11.140 2.549 1.00 0.00 N ATOM 617 CA GLY A 43 -3.993 -11.686 3.035 1.00 0.00 C ATOM 618 C GLY A 43 -3.200 -10.634 3.812 1.00 0.00 C ATOM 619 O GLY A 43 -2.068 -10.883 4.224 1.00 0.00 O ATOM 0 H GLY A 43 -5.163 -10.253 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.190 -12.545 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.400 -12.046 2.195 1.00 0.00 H new ATOM 623 N HIS A 44 -3.825 -9.480 3.989 1.00 0.00 N ATOM 624 CA HIS A 44 -3.193 -8.388 4.710 1.00 0.00 C ATOM 625 C HIS A 44 -2.418 -7.506 3.728 1.00 0.00 C ATOM 626 O HIS A 44 -1.195 -7.401 3.814 1.00 0.00 O ATOM 627 CB HIS A 44 -2.317 -8.922 5.845 1.00 0.00 C ATOM 628 CG HIS A 44 -2.260 -8.018 7.053 1.00 0.00 C ATOM 629 ND1 HIS A 44 -2.702 -8.411 8.305 1.00 0.00 N ATOM 630 CD2 HIS A 44 -1.808 -6.738 7.189 1.00 0.00 C ATOM 631 CE1 HIS A 44 -2.520 -7.404 9.148 1.00 0.00 C ATOM 632 NE2 HIS A 44 -1.965 -6.368 8.453 1.00 0.00 N ATOM 0 H HIS A 44 -4.764 -9.277 3.645 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.956 -7.767 5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.693 -9.898 6.152 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.305 -9.073 5.469 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.392 -6.129 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.767 -7.403 10.199 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.713 -5.459 8.842 1.00 0.00 H new ATOM 640 N VAL A 45 -3.161 -6.894 2.818 1.00 0.00 N ATOM 641 CA VAL A 45 -2.560 -6.024 1.822 1.00 0.00 C ATOM 642 C VAL A 45 -2.431 -4.611 2.395 1.00 0.00 C ATOM 643 O VAL A 45 -1.649 -3.804 1.896 1.00 0.00 O ATOM 644 CB VAL A 45 -3.372 -6.072 0.527 1.00 0.00 C ATOM 645 CG1 VAL A 45 -4.796 -5.557 0.754 1.00 0.00 C ATOM 646 CG2 VAL A 45 -2.676 -5.287 -0.587 1.00 0.00 C ATOM 0 H VAL A 45 -4.175 -6.984 2.750 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.556 -6.366 1.573 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.438 -7.113 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.353 -5.602 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.292 -6.177 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.758 -4.526 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.275 -5.338 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.564 -4.246 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.693 -5.717 -0.776 1.00 0.00 H new ATOM 656 N ASN A 46 -3.210 -4.356 3.436 1.00 0.00 N ATOM 657 CA ASN A 46 -3.192 -3.055 4.082 1.00 0.00 C ATOM 658 C ASN A 46 -1.751 -2.548 4.160 1.00 0.00 C ATOM 659 O ASN A 46 -1.511 -1.342 4.132 1.00 0.00 O ATOM 660 CB ASN A 46 -3.741 -3.141 5.509 1.00 0.00 C ATOM 661 CG ASN A 46 -4.648 -1.950 5.819 1.00 0.00 C ATOM 662 OD1 ASN A 46 -4.913 -1.103 4.983 1.00 0.00 O ATOM 663 ND2 ASN A 46 -5.109 -1.932 7.066 1.00 0.00 N ATOM 0 H ASN A 46 -3.857 -5.028 3.848 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.814 -2.379 3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.299 -4.069 5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.915 -3.168 6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.723 -1.177 7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.848 -2.673 7.717 1.00 0.00 H new ATOM 669 N CYS A 47 -0.829 -3.495 4.256 1.00 0.00 N ATOM 670 CA CYS A 47 0.583 -3.159 4.337 1.00 0.00 C ATOM 671 C CYS A 47 0.920 -2.214 3.182 1.00 0.00 C ATOM 672 O CYS A 47 1.618 -1.219 3.373 1.00 0.00 O ATOM 673 CB CYS A 47 1.463 -4.410 4.326 1.00 0.00 C ATOM 674 SG CYS A 47 2.163 -4.700 5.991 1.00 0.00 S ATOM 0 H CYS A 47 -1.032 -4.494 4.280 1.00 0.00 H new ATOM 0 HA CYS A 47 0.787 -2.659 5.284 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.876 -5.274 4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.268 -4.292 3.600 1.00 0.00 H new ATOM 0 HG CYS A 47 2.906 -5.766 5.969 1.00 0.00 H new ATOM 679 N THR A 48 0.406 -2.556 2.011 1.00 0.00 N ATOM 680 CA THR A 48 0.644 -1.750 0.825 1.00 0.00 C ATOM 681 C THR A 48 -0.115 -0.425 0.921 1.00 0.00 C ATOM 682 O THR A 48 0.365 0.605 0.449 1.00 0.00 O ATOM 683 CB THR A 48 0.257 -2.584 -0.399 1.00 0.00 C ATOM 684 OG1 THR A 48 1.085 -2.074 -1.441 1.00 0.00 O ATOM 685 CG2 THR A 48 -1.166 -2.295 -0.879 1.00 0.00 C ATOM 0 H THR A 48 -0.175 -3.380 1.857 1.00 0.00 H new ATOM 0 HA THR A 48 1.696 -1.481 0.734 1.00 0.00 H new ATOM 0 HB THR A 48 0.351 -3.644 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.901 -2.559 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.389 -2.913 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.873 -2.523 -0.081 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.252 -1.243 -1.150 1.00 0.00 H new ATOM 693 N ILE A 49 -1.287 -0.494 1.535 1.00 0.00 N ATOM 694 CA ILE A 49 -2.116 0.688 1.698 1.00 0.00 C ATOM 695 C ILE A 49 -1.384 1.702 2.581 1.00 0.00 C ATOM 696 O ILE A 49 -1.538 2.909 2.405 1.00 0.00 O ATOM 697 CB ILE A 49 -3.501 0.304 2.224 1.00 0.00 C ATOM 698 CG1 ILE A 49 -4.447 -0.043 1.072 1.00 0.00 C ATOM 699 CG2 ILE A 49 -4.071 1.400 3.124 1.00 0.00 C ATOM 700 CD1 ILE A 49 -3.786 -1.014 0.092 1.00 0.00 C ATOM 0 H ILE A 49 -1.682 -1.350 1.925 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.287 1.167 0.734 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.397 -0.591 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.361 -0.486 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.736 0.868 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.055 1.100 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.406 1.555 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.158 2.327 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.480 -1.244 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.886 -0.558 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.520 -1.933 0.614 1.00 0.00 H new ATOM 711 N LYS A 50 -0.603 1.172 3.511 1.00 0.00 N ATOM 712 CA LYS A 50 0.153 2.015 4.422 1.00 0.00 C ATOM 713 C LYS A 50 0.935 3.056 3.616 1.00 0.00 C ATOM 714 O LYS A 50 1.116 4.186 4.066 1.00 0.00 O ATOM 715 CB LYS A 50 1.031 1.162 5.338 1.00 0.00 C ATOM 716 CG LYS A 50 0.195 0.114 6.077 1.00 0.00 C ATOM 717 CD LYS A 50 0.827 -0.241 7.424 1.00 0.00 C ATOM 718 CE LYS A 50 0.571 0.858 8.457 1.00 0.00 C ATOM 719 NZ LYS A 50 1.266 0.548 9.727 1.00 0.00 N ATOM 0 H LYS A 50 -0.477 0.170 3.653 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.520 2.561 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.804 0.667 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.540 1.802 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.815 0.494 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.107 -0.784 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.418 -1.185 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.900 -0.385 7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.918 1.816 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.500 0.955 8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.082 1.304 10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.916 -0.356 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.289 0.478 9.555 1.00 0.00 H new ATOM 729 N GLU A 51 1.377 2.636 2.440 1.00 0.00 N ATOM 730 CA GLU A 51 2.136 3.517 1.568 1.00 0.00 C ATOM 731 C GLU A 51 1.262 4.684 1.102 1.00 0.00 C ATOM 732 O GLU A 51 1.747 5.802 0.942 1.00 0.00 O ATOM 733 CB GLU A 51 2.706 2.748 0.374 1.00 0.00 C ATOM 734 CG GLU A 51 1.937 3.078 -0.908 1.00 0.00 C ATOM 735 CD GLU A 51 2.401 2.194 -2.068 1.00 0.00 C ATOM 736 OE1 GLU A 51 1.932 1.036 -2.120 1.00 0.00 O ATOM 737 OE2 GLU A 51 3.214 2.695 -2.873 1.00 0.00 O ATOM 0 H GLU A 51 1.224 1.698 2.070 1.00 0.00 H new ATOM 0 HA GLU A 51 2.976 3.921 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.759 2.998 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.654 1.677 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.869 2.936 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.083 4.127 -1.164 1.00 0.00 H new ATOM 742 N LEU A 52 -0.013 4.382 0.898 1.00 0.00 N ATOM 743 CA LEU A 52 -0.958 5.392 0.454 1.00 0.00 C ATOM 744 C LEU A 52 -1.178 6.407 1.577 1.00 0.00 C ATOM 745 O LEU A 52 -0.940 7.600 1.396 1.00 0.00 O ATOM 746 CB LEU A 52 -2.248 4.736 -0.043 1.00 0.00 C ATOM 747 CG LEU A 52 -2.192 4.120 -1.443 1.00 0.00 C ATOM 748 CD1 LEU A 52 -1.472 5.050 -2.422 1.00 0.00 C ATOM 749 CD2 LEU A 52 -1.558 2.728 -1.404 1.00 0.00 C ATOM 0 H LEU A 52 -0.412 3.453 1.032 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.557 5.941 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.531 3.956 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.041 5.483 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.213 3.999 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.446 4.589 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.003 6.000 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.453 5.224 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.530 2.312 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.543 2.801 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.149 2.077 -0.759 1.00 0.00 H new ATOM 760 N ARG A 53 -1.631 5.897 2.713 1.00 0.00 N ATOM 761 CA ARG A 53 -1.886 6.744 3.865 1.00 0.00 C ATOM 762 C ARG A 53 -0.577 7.346 4.381 1.00 0.00 C ATOM 763 O ARG A 53 -0.560 8.472 4.877 1.00 0.00 O ATOM 764 CB ARG A 53 -2.555 5.955 4.992 1.00 0.00 C ATOM 765 CG ARG A 53 -1.763 4.688 5.320 1.00 0.00 C ATOM 766 CD ARG A 53 -2.699 3.502 5.560 1.00 0.00 C ATOM 767 NE ARG A 53 -3.912 3.952 6.279 1.00 0.00 N ATOM 768 CZ ARG A 53 -4.868 3.129 6.730 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.757 1.807 6.538 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.934 3.627 7.372 1.00 0.00 N ATOM 0 H ARG A 53 -1.828 4.907 2.860 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.557 7.542 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.633 6.580 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.571 5.688 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.082 4.458 4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.150 4.857 6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.977 3.049 4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.186 2.735 6.140 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.027 4.952 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.945 1.429 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.484 1.179 6.881 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.018 4.633 7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.662 3.000 7.715 1.00 0.00 H new ATOM 781 N ARG A 54 0.488 6.569 4.247 1.00 0.00 N ATOM 782 CA ARG A 54 1.798 7.012 4.693 1.00 0.00 C ATOM 783 C ARG A 54 2.885 6.084 4.150 1.00 0.00 C ATOM 784 O ARG A 54 3.470 6.352 3.101 1.00 0.00 O ATOM 785 CB ARG A 54 1.879 7.042 6.221 1.00 0.00 C ATOM 786 CG ARG A 54 1.388 5.723 6.822 1.00 0.00 C ATOM 787 CD ARG A 54 0.510 5.973 8.050 1.00 0.00 C ATOM 788 NE ARG A 54 1.256 5.632 9.282 1.00 0.00 N ATOM 789 CZ ARG A 54 2.146 6.443 9.870 1.00 0.00 C ATOM 790 NH1 ARG A 54 2.407 7.647 9.343 1.00 0.00 N ATOM 791 NH2 ARG A 54 2.774 6.050 10.986 1.00 0.00 N ATOM 0 H ARG A 54 0.470 5.636 3.836 1.00 0.00 H new ATOM 0 HA ARG A 54 1.954 8.021 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.908 7.226 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.278 7.867 6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.823 5.166 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.242 5.106 7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.200 7.018 8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.398 5.373 7.987 1.00 0.00 H new ATOM 0 HE ARG A 54 1.082 4.723 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.928 7.947 8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.085 8.264 9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.575 5.134 11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.452 6.667 11.434 1.00 0.00 H new TER 802 ARG A 54