USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -68:sc= -1.7! USER MOD Single : A 25 MET CE :methyl -141:sc= -0.0704 (180deg=-1.58!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 42:sc= 0.0543 USER MOD Single : A 35 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.041) USER MOD Single : A 36 SER OG : rot -118:sc= 1.59 USER MOD Single : A 37 THR OG1 : rot -22:sc= 0.344 USER MOD Single : A 38 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.11) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.0882 (180deg=-0.525) USER MOD Single : A 47 ASN : amide:sc= 0.632 K(o=0.63,f=-2.7!) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.06 F(o=-3.3,f=-2.1) USER MOD Single : A 57 TYR OH : rot 180:sc= -2.01! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc=-0.00183 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 -6.704 9.458 -3.730 1.00 0.00 N ATOM 2 CA GLU A 7 -5.502 9.522 -2.906 1.00 0.00 C ATOM 3 C GLU A 7 -4.253 9.271 -3.745 1.00 0.00 C ATOM 4 O GLU A 7 -4.305 9.296 -4.976 1.00 0.00 O ATOM 5 CB GLU A 7 -5.583 8.502 -1.768 1.00 0.00 C ATOM 6 CG GLU A 7 -4.987 9.002 -0.461 1.00 0.00 C ATOM 7 CD GLU A 7 -6.041 9.283 0.592 1.00 0.00 C ATOM 8 OE1 GLU A 7 -7.226 9.425 0.224 1.00 0.00 O ATOM 9 OE2 GLU A 7 -5.681 9.358 1.785 1.00 0.00 O ATOM 0 HA GLU A 7 -5.435 10.524 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.627 8.235 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.065 7.591 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.286 8.260 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.417 9.911 -0.651 1.00 0.00 H new ATOM 14 N LEU A 8 -3.130 9.032 -3.075 1.00 0.00 N ATOM 15 CA LEU A 8 -1.868 8.780 -3.761 1.00 0.00 C ATOM 16 C LEU A 8 -0.980 7.845 -2.943 1.00 0.00 C ATOM 17 O LEU A 8 -1.446 7.209 -2.002 1.00 0.00 O ATOM 18 CB LEU A 8 -1.147 10.103 -4.028 1.00 0.00 C ATOM 19 CG LEU A 8 -1.012 10.476 -5.504 1.00 0.00 C ATOM 20 CD1 LEU A 8 -0.361 11.842 -5.652 1.00 0.00 C ATOM 21 CD2 LEU A 8 -0.213 9.417 -6.248 1.00 0.00 C ATOM 0 H LEU A 8 -3.068 9.008 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.082 8.294 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.682 10.902 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.151 10.052 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.009 10.524 -5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.273 12.091 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.973 12.593 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.631 11.823 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.126 9.698 -7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.782 9.337 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.722 8.456 -6.170 1.00 0.00 H new ATOM 32 N VAL A 9 0.298 7.772 -3.322 1.00 0.00 N ATOM 33 CA VAL A 9 1.281 6.920 -2.646 1.00 0.00 C ATOM 34 C VAL A 9 1.109 5.451 -3.035 1.00 0.00 C ATOM 35 O VAL A 9 1.351 4.549 -2.234 1.00 0.00 O ATOM 36 CB VAL A 9 1.246 7.086 -1.098 1.00 0.00 C ATOM 37 CG1 VAL A 9 0.904 8.520 -0.722 1.00 0.00 C ATOM 38 CG2 VAL A 9 0.279 6.114 -0.427 1.00 0.00 C ATOM 0 H VAL A 9 0.681 8.301 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 9 2.262 7.252 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 9 2.244 6.848 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.884 8.617 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.657 9.193 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.074 8.779 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.294 6.272 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.729 6.284 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.581 5.090 -0.647 1.00 0.00 H new ATOM 48 N LEU A 10 0.695 5.222 -4.281 1.00 0.00 N ATOM 49 CA LEU A 10 0.494 3.866 -4.791 1.00 0.00 C ATOM 50 C LEU A 10 1.656 2.954 -4.407 1.00 0.00 C ATOM 51 O LEU A 10 2.774 3.116 -4.893 1.00 0.00 O ATOM 52 CB LEU A 10 0.337 3.888 -6.312 1.00 0.00 C ATOM 53 CG LEU A 10 1.434 4.644 -7.066 1.00 0.00 C ATOM 54 CD1 LEU A 10 1.766 3.943 -8.374 1.00 0.00 C ATOM 55 CD2 LEU A 10 1.009 6.082 -7.322 1.00 0.00 C ATOM 0 H LEU A 10 0.492 5.959 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.417 3.472 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.311 2.860 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.626 4.337 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 10 2.331 4.655 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.548 4.496 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.114 2.931 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.875 3.899 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.800 6.605 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.098 6.091 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.824 6.582 -6.371 1.00 0.00 H new ATOM 66 N ALA A 11 1.379 1.993 -3.527 1.00 0.00 N ATOM 67 CA ALA A 11 2.398 1.051 -3.071 1.00 0.00 C ATOM 68 C ALA A 11 3.091 0.376 -4.249 1.00 0.00 C ATOM 69 O ALA A 11 2.572 -0.579 -4.824 1.00 0.00 O ATOM 70 CB ALA A 11 1.779 0.008 -2.153 1.00 0.00 C ATOM 0 H ALA A 11 0.457 1.847 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 11 3.150 1.610 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.550 -0.688 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.338 0.501 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.005 -0.538 -2.693 1.00 0.00 H new ATOM 76 N LEU A 12 4.272 0.881 -4.607 1.00 0.00 N ATOM 77 CA LEU A 12 5.041 0.329 -5.720 1.00 0.00 C ATOM 78 C LEU A 12 5.215 -1.178 -5.565 1.00 0.00 C ATOM 79 O LEU A 12 5.119 -1.713 -4.460 1.00 0.00 O ATOM 80 CB LEU A 12 6.409 1.008 -5.809 1.00 0.00 C ATOM 81 CG LEU A 12 6.399 2.401 -6.446 1.00 0.00 C ATOM 82 CD1 LEU A 12 6.878 3.450 -5.454 1.00 0.00 C ATOM 83 CD2 LEU A 12 7.257 2.422 -7.701 1.00 0.00 C ATOM 0 H LEU A 12 4.716 1.672 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 12 4.490 0.520 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.825 1.087 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.079 0.367 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 12 5.373 2.640 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.863 4.432 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.220 3.456 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.894 3.215 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.237 3.420 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.283 2.159 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.867 1.702 -8.421 1.00 0.00 H new ATOM 94 N TYR A 13 5.469 -1.857 -6.679 1.00 0.00 N ATOM 95 CA TYR A 13 5.653 -3.306 -6.671 1.00 0.00 C ATOM 96 C TYR A 13 4.345 -4.016 -6.333 1.00 0.00 C ATOM 97 O TYR A 13 3.734 -4.652 -7.190 1.00 0.00 O ATOM 98 CB TYR A 13 6.743 -3.705 -5.670 1.00 0.00 C ATOM 99 CG TYR A 13 8.047 -4.106 -6.324 1.00 0.00 C ATOM 100 CD1 TYR A 13 8.253 -5.407 -6.763 1.00 0.00 C ATOM 101 CD2 TYR A 13 9.069 -3.183 -6.503 1.00 0.00 C ATOM 102 CE1 TYR A 13 9.444 -5.778 -7.361 1.00 0.00 C ATOM 103 CE2 TYR A 13 10.262 -3.545 -7.100 1.00 0.00 C ATOM 104 CZ TYR A 13 10.444 -4.843 -7.527 1.00 0.00 C ATOM 105 OH TYR A 13 11.630 -5.209 -8.122 1.00 0.00 O ATOM 0 H TYR A 13 5.552 -1.427 -7.600 1.00 0.00 H new ATOM 0 HA TYR A 13 5.965 -3.612 -7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.927 -2.870 -4.994 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.381 -4.534 -5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.471 -6.141 -6.636 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.929 -2.165 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.590 -6.794 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.047 -2.815 -7.231 1.00 0.00 H new ATOM 0 HH TYR A 13 12.228 -4.434 -8.164 1.00 0.00 H new ATOM 114 N ASP A 14 3.920 -3.902 -5.076 1.00 0.00 N ATOM 115 CA ASP A 14 2.685 -4.533 -4.625 1.00 0.00 C ATOM 116 C ASP A 14 2.718 -6.037 -4.878 1.00 0.00 C ATOM 117 O ASP A 14 2.564 -6.490 -6.013 1.00 0.00 O ATOM 118 CB ASP A 14 1.483 -3.905 -5.335 1.00 0.00 C ATOM 119 CG ASP A 14 0.741 -2.923 -4.449 1.00 0.00 C ATOM 120 OD1 ASP A 14 0.473 -3.266 -3.278 1.00 0.00 O ATOM 121 OD2 ASP A 14 0.429 -1.811 -4.925 1.00 0.00 O ATOM 0 H ASP A 14 4.414 -3.378 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 14 2.590 -4.370 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.822 -3.394 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.800 -4.692 -5.653 1.00 0.00 H new ATOM 125 N TYR A 15 2.925 -6.809 -3.813 1.00 0.00 N ATOM 126 CA TYR A 15 2.986 -8.265 -3.917 1.00 0.00 C ATOM 127 C TYR A 15 1.637 -8.897 -3.590 1.00 0.00 C ATOM 128 O TYR A 15 0.649 -8.199 -3.364 1.00 0.00 O ATOM 129 CB TYR A 15 4.062 -8.819 -2.981 1.00 0.00 C ATOM 130 CG TYR A 15 4.841 -9.974 -3.569 1.00 0.00 C ATOM 131 CD1 TYR A 15 5.426 -9.874 -4.824 1.00 0.00 C ATOM 132 CD2 TYR A 15 4.990 -11.163 -2.867 1.00 0.00 C ATOM 133 CE1 TYR A 15 6.139 -10.928 -5.364 1.00 0.00 C ATOM 134 CE2 TYR A 15 5.701 -12.221 -3.401 1.00 0.00 C ATOM 135 CZ TYR A 15 6.275 -12.099 -4.649 1.00 0.00 C ATOM 136 OH TYR A 15 6.983 -13.149 -5.184 1.00 0.00 O ATOM 0 H TYR A 15 3.053 -6.450 -2.867 1.00 0.00 H new ATOM 0 HA TYR A 15 3.242 -8.517 -4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.755 -8.018 -2.724 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.592 -9.144 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.322 -8.958 -5.387 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.543 -11.262 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.588 -10.835 -6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.807 -13.140 -2.843 1.00 0.00 H new ATOM 0 HH TYR A 15 6.984 -13.898 -4.552 1.00 0.00 H new ATOM 145 N GLN A 16 1.606 -10.227 -3.568 1.00 0.00 N ATOM 146 CA GLN A 16 0.383 -10.962 -3.268 1.00 0.00 C ATOM 147 C GLN A 16 0.585 -11.883 -2.068 1.00 0.00 C ATOM 148 O GLN A 16 1.683 -11.965 -1.516 1.00 0.00 O ATOM 149 CB GLN A 16 -0.060 -11.778 -4.484 1.00 0.00 C ATOM 150 CG GLN A 16 0.984 -12.775 -4.960 1.00 0.00 C ATOM 151 CD GLN A 16 0.681 -13.319 -6.341 1.00 0.00 C ATOM 152 OE1 GLN A 16 1.151 -12.789 -7.348 1.00 0.00 O ATOM 153 NE2 GLN A 16 -0.108 -14.387 -6.396 1.00 0.00 N ATOM 0 H GLN A 16 2.416 -10.818 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.395 -10.239 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.976 -12.314 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.299 -11.097 -5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.962 -12.295 -4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.041 -13.602 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.476 -14.794 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.346 -14.799 -7.298 1.00 0.00 H new ATOM 160 N GLU A 17 -0.479 -12.574 -1.669 1.00 0.00 N ATOM 161 CA GLU A 17 -0.415 -13.487 -0.532 1.00 0.00 C ATOM 162 C GLU A 17 -1.773 -14.132 -0.273 1.00 0.00 C ATOM 163 O GLU A 17 -2.811 -13.587 -0.648 1.00 0.00 O ATOM 164 CB GLU A 17 0.058 -12.748 0.716 1.00 0.00 C ATOM 165 CG GLU A 17 -0.533 -11.358 0.845 1.00 0.00 C ATOM 166 CD GLU A 17 -2.049 -11.374 0.838 1.00 0.00 C ATOM 167 OE1 GLU A 17 -2.640 -12.106 1.660 1.00 0.00 O ATOM 168 OE2 GLU A 17 -2.646 -10.655 0.009 1.00 0.00 O ATOM 0 H GLU A 17 -1.395 -12.519 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 17 0.300 -14.274 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.206 -13.332 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.145 -12.673 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.181 -10.900 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.175 -10.736 0.025 1.00 0.00 H new ATOM 173 N LYS A 18 -1.757 -15.295 0.370 1.00 0.00 N ATOM 174 CA LYS A 18 -2.987 -16.014 0.679 1.00 0.00 C ATOM 175 C LYS A 18 -3.592 -15.522 1.991 1.00 0.00 C ATOM 176 O LYS A 18 -4.810 -15.403 2.118 1.00 0.00 O ATOM 177 CB LYS A 18 -2.718 -17.518 0.761 1.00 0.00 C ATOM 178 CG LYS A 18 -2.871 -18.237 -0.569 1.00 0.00 C ATOM 179 CD LYS A 18 -4.297 -18.143 -1.092 1.00 0.00 C ATOM 180 CE LYS A 18 -4.431 -17.071 -2.159 1.00 0.00 C ATOM 181 NZ LYS A 18 -5.729 -16.349 -2.063 1.00 0.00 N ATOM 0 H LYS A 18 -0.906 -15.759 0.687 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.700 -15.823 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.707 -17.678 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.401 -17.962 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.186 -17.805 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.593 -19.285 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.599 -19.106 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.974 -17.923 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.612 -16.359 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.342 -17.527 -3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.780 -15.626 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.511 -17.024 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.804 -15.892 -1.132 1.00 0.00 H new ATOM 191 N SER A 19 -2.731 -15.238 2.962 1.00 0.00 N ATOM 192 CA SER A 19 -3.178 -14.758 4.266 1.00 0.00 C ATOM 193 C SER A 19 -1.987 -14.465 5.177 1.00 0.00 C ATOM 194 O SER A 19 -1.787 -13.325 5.599 1.00 0.00 O ATOM 195 CB SER A 19 -4.108 -15.786 4.921 1.00 0.00 C ATOM 196 OG SER A 19 -4.094 -15.666 6.334 1.00 0.00 O ATOM 0 H SER A 19 -1.719 -15.332 2.872 1.00 0.00 H new ATOM 0 HA SER A 19 -3.729 -13.829 4.116 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.124 -15.647 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.800 -16.792 4.636 1.00 0.00 H new ATOM 0 HG SER A 19 -4.697 -16.332 6.725 1.00 0.00 H new ATOM 201 N PRO A 20 -1.174 -15.490 5.494 1.00 0.00 N ATOM 202 CA PRO A 20 0.000 -15.328 6.360 1.00 0.00 C ATOM 203 C PRO A 20 1.087 -14.481 5.708 1.00 0.00 C ATOM 204 O PRO A 20 0.960 -14.074 4.553 1.00 0.00 O ATOM 205 CB PRO A 20 0.494 -16.763 6.570 1.00 0.00 C ATOM 206 CG PRO A 20 -0.016 -17.516 5.392 1.00 0.00 C ATOM 207 CD PRO A 20 -1.333 -16.884 5.037 1.00 0.00 C ATOM 0 HA PRO A 20 -0.248 -14.811 7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.582 -16.803 6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.113 -17.180 7.502 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.683 -17.456 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.141 -18.573 5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.529 -16.936 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.165 -17.379 5.538 1.00 0.00 H new ATOM 212 N ARG A 21 2.156 -14.221 6.453 1.00 0.00 N ATOM 213 CA ARG A 21 3.265 -13.421 5.945 1.00 0.00 C ATOM 214 C ARG A 21 2.796 -12.022 5.563 1.00 0.00 C ATOM 215 O ARG A 21 3.294 -11.428 4.607 1.00 0.00 O ATOM 216 CB ARG A 21 3.903 -14.105 4.736 1.00 0.00 C ATOM 217 CG ARG A 21 4.134 -15.595 4.931 1.00 0.00 C ATOM 218 CD ARG A 21 4.991 -15.869 6.155 1.00 0.00 C ATOM 219 NE ARG A 21 6.409 -15.623 5.898 1.00 0.00 N ATOM 220 CZ ARG A 21 7.355 -15.690 6.833 1.00 0.00 C ATOM 221 NH1 ARG A 21 7.039 -15.995 8.086 1.00 0.00 N ATOM 222 NH2 ARG A 21 8.618 -15.451 6.514 1.00 0.00 N ATOM 0 H ARG A 21 2.278 -14.552 7.410 1.00 0.00 H new ATOM 0 HA ARG A 21 4.008 -13.332 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.264 -13.956 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.856 -13.624 4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.175 -16.102 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.618 -16.008 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.657 -15.239 6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.854 -16.904 6.469 1.00 0.00 H new ATOM 0 HE ARG A 21 6.690 -15.386 4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.068 -16.179 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.768 -16.045 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.866 -15.216 5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.343 -15.502 7.229 1.00 0.00 H new ATOM 233 N GLU A 22 1.833 -11.499 6.317 1.00 0.00 N ATOM 234 CA GLU A 22 1.294 -10.168 6.059 1.00 0.00 C ATOM 235 C GLU A 22 0.610 -10.113 4.697 1.00 0.00 C ATOM 236 O GLU A 22 1.216 -10.431 3.673 1.00 0.00 O ATOM 237 CB GLU A 22 2.406 -9.120 6.128 1.00 0.00 C ATOM 238 CG GLU A 22 3.343 -9.303 7.312 1.00 0.00 C ATOM 239 CD GLU A 22 2.606 -9.380 8.634 1.00 0.00 C ATOM 240 OE1 GLU A 22 1.444 -8.929 8.692 1.00 0.00 O ATOM 241 OE2 GLU A 22 3.193 -9.890 9.611 1.00 0.00 O ATOM 0 H GLU A 22 1.410 -11.978 7.112 1.00 0.00 H new ATOM 0 HA GLU A 22 0.552 -9.949 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.987 -9.158 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.956 -8.128 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.926 -10.214 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.050 -8.474 7.342 1.00 0.00 H new ATOM 246 N VAL A 23 -0.654 -9.706 4.691 1.00 0.00 N ATOM 247 CA VAL A 23 -1.422 -9.608 3.455 1.00 0.00 C ATOM 248 C VAL A 23 -0.749 -8.661 2.465 1.00 0.00 C ATOM 249 O VAL A 23 0.302 -8.090 2.754 1.00 0.00 O ATOM 250 CB VAL A 23 -2.854 -9.112 3.723 1.00 0.00 C ATOM 251 CG1 VAL A 23 -3.630 -10.130 4.543 1.00 0.00 C ATOM 252 CG2 VAL A 23 -2.828 -7.761 4.424 1.00 0.00 C ATOM 0 H VAL A 23 -1.170 -9.438 5.529 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.464 -10.610 3.028 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.361 -8.991 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.640 -9.760 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.680 -11.073 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.128 -10.288 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.849 -7.426 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.302 -7.854 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.314 -7.034 3.795 1.00 0.00 H new ATOM 262 N THR A 24 -1.365 -8.499 1.296 1.00 0.00 N ATOM 263 CA THR A 24 -0.835 -7.620 0.253 1.00 0.00 C ATOM 264 C THR A 24 -1.846 -7.464 -0.879 1.00 0.00 C ATOM 265 O THR A 24 -3.016 -7.815 -0.731 1.00 0.00 O ATOM 266 CB THR A 24 0.486 -8.168 -0.300 1.00 0.00 C ATOM 267 OG1 THR A 24 1.086 -9.070 0.614 1.00 0.00 O ATOM 268 CG2 THR A 24 1.502 -7.088 -0.602 1.00 0.00 C ATOM 0 H THR A 24 -2.236 -8.967 1.045 1.00 0.00 H new ATOM 0 HA THR A 24 -0.649 -6.643 0.698 1.00 0.00 H new ATOM 0 HB THR A 24 0.217 -8.669 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.388 -8.580 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.413 -7.544 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.094 -6.403 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.731 -6.539 0.311 1.00 0.00 H new ATOM 276 N MET A 25 -1.390 -6.936 -2.011 1.00 0.00 N ATOM 277 CA MET A 25 -2.257 -6.738 -3.166 1.00 0.00 C ATOM 278 C MET A 25 -1.470 -6.181 -4.347 1.00 0.00 C ATOM 279 O MET A 25 -0.926 -5.079 -4.277 1.00 0.00 O ATOM 280 CB MET A 25 -3.406 -5.791 -2.813 1.00 0.00 C ATOM 281 CG MET A 25 -2.944 -4.467 -2.227 1.00 0.00 C ATOM 282 SD MET A 25 -2.946 -3.132 -3.439 1.00 0.00 S ATOM 283 CE MET A 25 -3.009 -1.699 -2.366 1.00 0.00 C ATOM 0 H MET A 25 -0.425 -6.638 -2.152 1.00 0.00 H new ATOM 0 HA MET A 25 -2.668 -7.707 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.994 -5.596 -3.710 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.066 -6.284 -2.100 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.593 -4.197 -1.394 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.938 -4.584 -1.823 1.00 0.00 H new ATOM 0 HE1 MET A 25 -3.664 -0.945 -2.804 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.395 -1.992 -1.390 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.007 -1.286 -2.251 1.00 0.00 H new ATOM 291 N LYS A 26 -1.410 -6.949 -5.430 1.00 0.00 N ATOM 292 CA LYS A 26 -0.685 -6.531 -6.624 1.00 0.00 C ATOM 293 C LYS A 26 -1.239 -5.216 -7.168 1.00 0.00 C ATOM 294 O LYS A 26 -1.995 -4.523 -6.488 1.00 0.00 O ATOM 295 CB LYS A 26 -0.754 -7.620 -7.697 1.00 0.00 C ATOM 296 CG LYS A 26 0.597 -8.229 -8.033 1.00 0.00 C ATOM 297 CD LYS A 26 1.595 -7.169 -8.476 1.00 0.00 C ATOM 298 CE LYS A 26 1.592 -7.000 -9.988 1.00 0.00 C ATOM 299 NZ LYS A 26 2.700 -6.120 -10.451 1.00 0.00 N ATOM 0 H LYS A 26 -1.855 -7.864 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 26 0.358 -6.373 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.425 -8.410 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.189 -7.198 -8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.987 -8.755 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.476 -8.969 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.352 -6.218 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.595 -7.446 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.682 -7.977 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.638 -6.579 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.663 -6.031 -11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.600 -5.180 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.612 -6.534 -10.172 1.00 0.00 H new ATOM 309 N LYS A 27 -0.860 -4.880 -8.399 1.00 0.00 N ATOM 310 CA LYS A 27 -1.320 -3.649 -9.035 1.00 0.00 C ATOM 311 C LYS A 27 -0.804 -2.425 -8.285 1.00 0.00 C ATOM 312 O LYS A 27 -0.576 -2.476 -7.077 1.00 0.00 O ATOM 313 CB LYS A 27 -2.848 -3.618 -9.098 1.00 0.00 C ATOM 314 CG LYS A 27 -3.452 -4.829 -9.790 1.00 0.00 C ATOM 315 CD LYS A 27 -3.368 -4.706 -11.303 1.00 0.00 C ATOM 316 CE LYS A 27 -3.034 -6.038 -11.952 1.00 0.00 C ATOM 317 NZ LYS A 27 -2.851 -5.910 -13.423 1.00 0.00 N ATOM 0 H LYS A 27 -0.235 -5.444 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.924 -3.625 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.244 -3.554 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.164 -2.716 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.931 -5.731 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.494 -4.938 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.317 -4.338 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.608 -3.970 -11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.124 -6.440 -11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.832 -6.752 -11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.624 -6.841 -13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.728 -5.550 -13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.073 -5.249 -13.620 1.00 0.00 H new ATOM 327 N GLY A 28 -0.623 -1.324 -9.009 1.00 0.00 N ATOM 328 CA GLY A 28 -0.134 -0.104 -8.395 1.00 0.00 C ATOM 329 C GLY A 28 -1.257 0.823 -7.971 1.00 0.00 C ATOM 330 O GLY A 28 -1.163 2.038 -8.139 1.00 0.00 O ATOM 0 H GLY A 28 -0.807 -1.256 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.472 -0.357 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.517 0.417 -9.097 1.00 0.00 H new ATOM 334 N ASP A 29 -2.320 0.249 -7.417 1.00 0.00 N ATOM 335 CA ASP A 29 -3.463 1.034 -6.965 1.00 0.00 C ATOM 336 C ASP A 29 -3.033 2.065 -5.927 1.00 0.00 C ATOM 337 O ASP A 29 -1.848 2.188 -5.617 1.00 0.00 O ATOM 338 CB ASP A 29 -4.539 0.119 -6.379 1.00 0.00 C ATOM 339 CG ASP A 29 -5.942 0.612 -6.672 1.00 0.00 C ATOM 340 OD1 ASP A 29 -6.187 1.061 -7.812 1.00 0.00 O ATOM 341 OD2 ASP A 29 -6.795 0.549 -5.763 1.00 0.00 O ATOM 0 H ASP A 29 -2.414 -0.756 -7.270 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.876 1.560 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.418 -0.885 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.401 0.046 -5.300 1.00 0.00 H new ATOM 345 N ILE A 30 -3.998 2.804 -5.390 1.00 0.00 N ATOM 346 CA ILE A 30 -3.708 3.821 -4.387 1.00 0.00 C ATOM 347 C ILE A 30 -4.095 3.340 -2.992 1.00 0.00 C ATOM 348 O ILE A 30 -4.561 2.214 -2.821 1.00 0.00 O ATOM 349 CB ILE A 30 -4.429 5.155 -4.681 1.00 0.00 C ATOM 350 CG1 ILE A 30 -4.811 5.256 -6.161 1.00 0.00 C ATOM 351 CG2 ILE A 30 -3.544 6.326 -4.281 1.00 0.00 C ATOM 352 CD1 ILE A 30 -3.620 5.239 -7.096 1.00 0.00 C ATOM 0 H ILE A 30 -4.985 2.718 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.633 3.996 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.346 5.187 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.473 4.428 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.375 6.175 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.061 7.262 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.322 6.267 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.614 6.290 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.966 5.314 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.968 6.083 -6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.068 4.308 -6.965 1.00 0.00 H new ATOM 363 N LEU A 31 -3.884 4.195 -1.997 1.00 0.00 N ATOM 364 CA LEU A 31 -4.198 3.853 -0.615 1.00 0.00 C ATOM 365 C LEU A 31 -4.563 5.105 0.184 1.00 0.00 C ATOM 366 O LEU A 31 -4.960 6.120 -0.390 1.00 0.00 O ATOM 367 CB LEU A 31 -3.005 3.140 0.029 1.00 0.00 C ATOM 368 CG LEU A 31 -2.163 2.279 -0.918 1.00 0.00 C ATOM 369 CD1 LEU A 31 -1.343 3.156 -1.859 1.00 0.00 C ATOM 370 CD2 LEU A 31 -1.257 1.350 -0.125 1.00 0.00 C ATOM 0 H LEU A 31 -3.497 5.130 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.058 3.184 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.357 3.890 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.374 2.507 0.836 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.837 1.671 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.752 2.525 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.013 3.779 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.677 3.792 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.665 0.745 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.591 1.941 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.864 0.697 0.502 1.00 0.00 H new ATOM 381 N THR A 32 -4.431 5.032 1.510 1.00 0.00 N ATOM 382 CA THR A 32 -4.756 6.163 2.377 1.00 0.00 C ATOM 383 C THR A 32 -3.644 6.431 3.389 1.00 0.00 C ATOM 384 O THR A 32 -3.137 7.548 3.486 1.00 0.00 O ATOM 385 CB THR A 32 -6.070 5.903 3.111 1.00 0.00 C ATOM 386 OG1 THR A 32 -6.444 7.028 3.887 1.00 0.00 O ATOM 387 CG2 THR A 32 -6.006 4.707 4.034 1.00 0.00 C ATOM 0 H THR A 32 -4.102 4.203 2.005 1.00 0.00 H new ATOM 0 HA THR A 32 -4.860 7.045 1.745 1.00 0.00 H new ATOM 0 HB THR A 32 -6.805 5.704 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.285 7.847 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.970 4.575 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.768 3.814 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.234 4.869 4.786 1.00 0.00 H new ATOM 395 N LEU A 33 -3.269 5.399 4.141 1.00 0.00 N ATOM 396 CA LEU A 33 -2.219 5.521 5.145 1.00 0.00 C ATOM 397 C LEU A 33 -2.608 6.520 6.231 1.00 0.00 C ATOM 398 O LEU A 33 -3.156 7.583 5.945 1.00 0.00 O ATOM 399 CB LEU A 33 -0.908 5.945 4.484 1.00 0.00 C ATOM 400 CG LEU A 33 -0.416 5.015 3.375 1.00 0.00 C ATOM 401 CD1 LEU A 33 -0.423 3.569 3.843 1.00 0.00 C ATOM 402 CD2 LEU A 33 -1.263 5.176 2.124 1.00 0.00 C ATOM 0 H LEU A 33 -3.679 4.467 4.073 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.084 4.547 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.034 6.945 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.136 6.012 5.251 1.00 0.00 H new ATOM 0 HG LEU A 33 0.610 5.290 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.069 2.924 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.233 3.463 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.437 3.281 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.896 4.505 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.300 4.932 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.201 6.206 1.773 1.00 0.00 H new ATOM 413 N LEU A 34 -2.317 6.167 7.479 1.00 0.00 N ATOM 414 CA LEU A 34 -2.634 7.031 8.611 1.00 0.00 C ATOM 415 C LEU A 34 -1.772 8.290 8.592 1.00 0.00 C ATOM 416 O LEU A 34 -2.248 9.376 8.265 1.00 0.00 O ATOM 417 CB LEU A 34 -2.431 6.277 9.927 1.00 0.00 C ATOM 418 CG LEU A 34 -3.677 5.578 10.472 1.00 0.00 C ATOM 419 CD1 LEU A 34 -4.000 4.343 9.645 1.00 0.00 C ATOM 420 CD2 LEU A 34 -3.482 5.207 11.935 1.00 0.00 C ATOM 0 H LEU A 34 -1.863 5.290 7.732 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.680 7.328 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.648 5.532 9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.069 6.979 10.678 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.518 6.267 10.402 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.890 3.858 10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.182 4.635 8.611 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.160 3.649 9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.378 4.710 12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.629 4.535 12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.299 6.110 12.518 1.00 0.00 H new ATOM 431 N ASN A 35 -0.500 8.133 8.945 1.00 0.00 N ATOM 432 CA ASN A 35 0.431 9.257 8.968 1.00 0.00 C ATOM 433 C ASN A 35 1.867 8.776 8.792 1.00 0.00 C ATOM 434 O ASN A 35 2.803 9.379 9.315 1.00 0.00 O ATOM 435 CB ASN A 35 0.298 10.029 10.280 1.00 0.00 C ATOM 436 CG ASN A 35 0.629 9.176 11.490 1.00 0.00 C ATOM 437 OD1 ASN A 35 1.772 9.144 11.946 1.00 0.00 O ATOM 438 ND2 ASN A 35 -0.371 8.478 12.016 1.00 0.00 N ATOM 0 H ASN A 35 -0.090 7.240 9.219 1.00 0.00 H new ATOM 0 HA ASN A 35 0.183 9.919 8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.960 10.895 10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.720 10.408 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.207 7.886 12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.303 8.534 11.606 1.00 0.00 H new ATOM 444 N SER A 36 2.034 7.683 8.048 1.00 0.00 N ATOM 445 CA SER A 36 3.357 7.116 7.800 1.00 0.00 C ATOM 446 C SER A 36 4.166 8.014 6.870 1.00 0.00 C ATOM 447 O SER A 36 3.639 8.557 5.899 1.00 0.00 O ATOM 448 CB SER A 36 3.230 5.717 7.195 1.00 0.00 C ATOM 449 OG SER A 36 3.087 4.736 8.209 1.00 0.00 O ATOM 0 H SER A 36 1.269 7.173 7.607 1.00 0.00 H new ATOM 0 HA SER A 36 3.880 7.045 8.754 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.370 5.683 6.527 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.111 5.496 6.592 1.00 0.00 H new ATOM 0 HG SER A 36 3.840 4.111 8.168 1.00 0.00 H new ATOM 454 N THR A 37 5.455 8.164 7.172 1.00 0.00 N ATOM 455 CA THR A 37 6.343 8.996 6.364 1.00 0.00 C ATOM 456 C THR A 37 7.805 8.655 6.638 1.00 0.00 C ATOM 457 O THR A 37 8.540 9.449 7.225 1.00 0.00 O ATOM 458 CB THR A 37 6.088 10.476 6.650 1.00 0.00 C ATOM 459 OG1 THR A 37 4.717 10.790 6.483 1.00 0.00 O ATOM 460 CG2 THR A 37 6.883 11.404 5.755 1.00 0.00 C ATOM 0 H THR A 37 5.907 7.720 7.971 1.00 0.00 H new ATOM 0 HA THR A 37 6.134 8.796 5.313 1.00 0.00 H new ATOM 0 HB THR A 37 6.406 10.630 7.681 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.296 10.121 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.655 12.439 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.948 11.221 5.896 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.618 11.221 4.714 1.00 0.00 H new ATOM 468 N ASN A 38 8.220 7.468 6.209 1.00 0.00 N ATOM 469 CA ASN A 38 9.593 7.019 6.409 1.00 0.00 C ATOM 470 C ASN A 38 9.959 5.925 5.412 1.00 0.00 C ATOM 471 O ASN A 38 9.175 5.593 4.525 1.00 0.00 O ATOM 472 CB ASN A 38 9.781 6.509 7.839 1.00 0.00 C ATOM 473 CG ASN A 38 10.319 7.578 8.769 1.00 0.00 C ATOM 474 OD1 ASN A 38 9.717 7.880 9.800 1.00 0.00 O ATOM 475 ND2 ASN A 38 11.458 8.159 8.408 1.00 0.00 N ATOM 0 H ASN A 38 7.625 6.799 5.720 1.00 0.00 H new ATOM 0 HA ASN A 38 10.255 7.869 6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.827 6.146 8.221 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.465 5.660 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.867 8.887 8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.923 7.877 7.545 1.00 0.00 H new ATOM 481 N LYS A 39 11.156 5.370 5.564 1.00 0.00 N ATOM 482 CA LYS A 39 11.628 4.313 4.677 1.00 0.00 C ATOM 483 C LYS A 39 10.840 3.024 4.898 1.00 0.00 C ATOM 484 O LYS A 39 9.839 3.014 5.614 1.00 0.00 O ATOM 485 CB LYS A 39 13.121 4.061 4.900 1.00 0.00 C ATOM 486 CG LYS A 39 13.445 3.495 6.274 1.00 0.00 C ATOM 487 CD LYS A 39 14.923 3.635 6.599 1.00 0.00 C ATOM 488 CE LYS A 39 15.144 3.942 8.071 1.00 0.00 C ATOM 489 NZ LYS A 39 16.269 4.894 8.278 1.00 0.00 N ATOM 0 H LYS A 39 11.818 5.635 6.294 1.00 0.00 H new ATOM 0 HA LYS A 39 11.473 4.638 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.482 3.371 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.663 4.997 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.854 4.012 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.161 2.443 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.443 2.714 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.356 4.430 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.232 4.361 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.349 3.016 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.386 5.077 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.145 4.484 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.063 5.787 7.787 1.00 0.00 H new ATOM 499 N ASP A 40 11.303 1.941 4.274 1.00 0.00 N ATOM 500 CA ASP A 40 10.654 0.634 4.388 1.00 0.00 C ATOM 501 C ASP A 40 9.140 0.737 4.200 1.00 0.00 C ATOM 502 O ASP A 40 8.612 1.806 3.894 1.00 0.00 O ATOM 503 CB ASP A 40 10.977 -0.009 5.740 1.00 0.00 C ATOM 504 CG ASP A 40 10.414 0.773 6.912 1.00 0.00 C ATOM 505 OD1 ASP A 40 9.193 0.681 7.155 1.00 0.00 O ATOM 506 OD2 ASP A 40 11.195 1.477 7.585 1.00 0.00 O ATOM 0 H ASP A 40 12.132 1.943 3.680 1.00 0.00 H new ATOM 0 HA ASP A 40 11.046 0.002 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.577 -1.023 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.058 -0.091 5.849 1.00 0.00 H new ATOM 510 N TRP A 41 8.452 -0.385 4.377 1.00 0.00 N ATOM 511 CA TRP A 41 7.002 -0.428 4.222 1.00 0.00 C ATOM 512 C TRP A 41 6.307 0.347 5.340 1.00 0.00 C ATOM 513 O TRP A 41 6.957 1.031 6.132 1.00 0.00 O ATOM 514 CB TRP A 41 6.517 -1.887 4.183 1.00 0.00 C ATOM 515 CG TRP A 41 6.013 -2.409 5.500 1.00 0.00 C ATOM 516 CD1 TRP A 41 4.822 -3.035 5.727 1.00 0.00 C ATOM 517 CD2 TRP A 41 6.684 -2.350 6.766 1.00 0.00 C ATOM 518 NE1 TRP A 41 4.710 -3.369 7.054 1.00 0.00 N ATOM 519 CE2 TRP A 41 5.839 -2.960 7.713 1.00 0.00 C ATOM 520 CE3 TRP A 41 7.916 -1.844 7.192 1.00 0.00 C ATOM 521 CZ2 TRP A 41 6.186 -3.075 9.057 1.00 0.00 C ATOM 522 CZ3 TRP A 41 8.259 -1.958 8.525 1.00 0.00 C ATOM 523 CH2 TRP A 41 7.397 -2.569 9.444 1.00 0.00 C ATOM 0 H TRP A 41 8.875 -1.278 4.628 1.00 0.00 H new ATOM 0 HA TRP A 41 6.742 0.050 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.721 -1.973 3.443 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.337 -2.521 3.844 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.076 -3.238 4.973 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.915 -3.845 7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.588 -1.372 6.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 5.523 -3.546 9.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.208 -1.569 8.864 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.694 -2.642 10.480 1.00 0.00 H new ATOM 533 N TRP A 42 4.984 0.233 5.398 1.00 0.00 N ATOM 534 CA TRP A 42 4.201 0.921 6.418 1.00 0.00 C ATOM 535 C TRP A 42 2.777 0.376 6.472 1.00 0.00 C ATOM 536 O TRP A 42 2.263 -0.148 5.483 1.00 0.00 O ATOM 537 CB TRP A 42 4.175 2.427 6.143 1.00 0.00 C ATOM 538 CG TRP A 42 5.325 3.162 6.760 1.00 0.00 C ATOM 539 CD1 TRP A 42 6.144 4.066 6.147 1.00 0.00 C ATOM 540 CD2 TRP A 42 5.785 3.056 8.112 1.00 0.00 C ATOM 541 NE1 TRP A 42 7.084 4.529 7.037 1.00 0.00 N ATOM 542 CE2 TRP A 42 6.884 3.924 8.250 1.00 0.00 C ATOM 543 CE3 TRP A 42 5.372 2.311 9.222 1.00 0.00 C ATOM 544 CZ2 TRP A 42 7.576 4.066 9.449 1.00 0.00 C ATOM 545 CZ3 TRP A 42 6.059 2.454 10.413 1.00 0.00 C ATOM 546 CH2 TRP A 42 7.150 3.326 10.519 1.00 0.00 C ATOM 0 H TRP A 42 4.432 -0.329 4.751 1.00 0.00 H new ATOM 0 HA TRP A 42 4.674 0.744 7.384 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.183 2.593 5.066 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.242 2.843 6.523 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.065 4.372 5.114 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.812 5.212 6.828 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.532 1.636 9.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.419 4.736 9.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.749 1.884 11.276 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.665 3.416 11.464 1.00 0.00 H new ATOM 556 N LYS A 43 2.145 0.505 7.634 1.00 0.00 N ATOM 557 CA LYS A 43 0.778 0.026 7.821 1.00 0.00 C ATOM 558 C LYS A 43 -0.193 0.783 6.922 1.00 0.00 C ATOM 559 O LYS A 43 -0.416 1.981 7.101 1.00 0.00 O ATOM 560 CB LYS A 43 0.361 0.180 9.285 1.00 0.00 C ATOM 561 CG LYS A 43 -0.773 -0.744 9.695 1.00 0.00 C ATOM 562 CD LYS A 43 -1.669 -0.097 10.739 1.00 0.00 C ATOM 563 CE LYS A 43 -2.289 -1.134 11.661 1.00 0.00 C ATOM 564 NZ LYS A 43 -1.263 -1.831 12.484 1.00 0.00 N ATOM 0 H LYS A 43 2.557 0.937 8.461 1.00 0.00 H new ATOM 0 HA LYS A 43 0.748 -1.029 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.224 -0.013 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.059 1.212 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.365 -1.006 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.362 -1.672 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.089 0.614 11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.458 0.468 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.013 -0.650 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.837 -1.866 11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.695 -2.162 13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.888 -2.645 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.487 -1.173 12.702 1.00 0.00 H new ATOM 574 N VAL A 44 -0.772 0.077 5.956 1.00 0.00 N ATOM 575 CA VAL A 44 -1.723 0.684 5.033 1.00 0.00 C ATOM 576 C VAL A 44 -3.156 0.303 5.392 1.00 0.00 C ATOM 577 O VAL A 44 -3.399 -0.350 6.408 1.00 0.00 O ATOM 578 CB VAL A 44 -1.435 0.273 3.572 1.00 0.00 C ATOM 579 CG1 VAL A 44 0.007 0.592 3.201 1.00 0.00 C ATOM 580 CG2 VAL A 44 -1.731 -1.204 3.355 1.00 0.00 C ATOM 0 H VAL A 44 -0.599 -0.915 5.793 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.607 1.764 5.122 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.093 0.849 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.191 0.295 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.182 1.663 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.682 0.047 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.520 -1.469 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.104 -1.802 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.781 -1.401 3.574 1.00 0.00 H new ATOM 590 N GLU A 45 -4.103 0.711 4.553 1.00 0.00 N ATOM 591 CA GLU A 45 -5.511 0.407 4.785 1.00 0.00 C ATOM 592 C GLU A 45 -6.372 0.898 3.627 1.00 0.00 C ATOM 593 O GLU A 45 -6.803 2.050 3.604 1.00 0.00 O ATOM 594 CB GLU A 45 -5.984 1.039 6.095 1.00 0.00 C ATOM 595 CG GLU A 45 -5.863 2.554 6.121 1.00 0.00 C ATOM 596 CD GLU A 45 -5.730 3.104 7.526 1.00 0.00 C ATOM 597 OE1 GLU A 45 -5.411 2.320 8.445 1.00 0.00 O ATOM 598 OE2 GLU A 45 -5.943 4.321 7.711 1.00 0.00 O ATOM 0 H GLU A 45 -3.922 1.252 3.708 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.615 -0.676 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.025 0.763 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.404 0.623 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.996 2.856 5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.740 2.993 5.644 1.00 0.00 H new ATOM 603 N VAL A 46 -6.622 0.013 2.666 1.00 0.00 N ATOM 604 CA VAL A 46 -7.434 0.356 1.504 1.00 0.00 C ATOM 605 C VAL A 46 -8.493 -0.709 1.240 1.00 0.00 C ATOM 606 O VAL A 46 -9.655 -0.393 0.986 1.00 0.00 O ATOM 607 CB VAL A 46 -6.563 0.529 0.244 1.00 0.00 C ATOM 608 CG1 VAL A 46 -5.842 -0.768 -0.095 1.00 0.00 C ATOM 609 CG2 VAL A 46 -7.407 1.002 -0.932 1.00 0.00 C ATOM 0 H VAL A 46 -6.274 -0.946 2.669 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.926 1.302 1.727 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.811 1.290 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.233 -0.623 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.202 -1.057 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.574 -1.554 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.773 1.118 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.185 0.268 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.867 1.959 -0.688 1.00 0.00 H new ATOM 619 N ASN A 47 -8.085 -1.973 1.305 1.00 0.00 N ATOM 620 CA ASN A 47 -9.000 -3.086 1.073 1.00 0.00 C ATOM 621 C ASN A 47 -9.313 -3.811 2.379 1.00 0.00 C ATOM 622 O ASN A 47 -8.933 -3.358 3.458 1.00 0.00 O ATOM 623 CB ASN A 47 -8.401 -4.063 0.060 1.00 0.00 C ATOM 624 CG ASN A 47 -7.122 -4.708 0.562 1.00 0.00 C ATOM 625 OD1 ASN A 47 -6.080 -4.060 0.653 1.00 0.00 O ATOM 626 ND2 ASN A 47 -7.199 -5.992 0.893 1.00 0.00 N ATOM 0 H ASN A 47 -7.127 -2.252 1.516 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.930 -2.685 0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.131 -4.840 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.197 -3.536 -0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.373 -6.480 1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.084 -6.490 0.801 1.00 0.00 H new ATOM 632 N ASP A 48 -10.007 -4.940 2.273 1.00 0.00 N ATOM 633 CA ASP A 48 -10.371 -5.729 3.446 1.00 0.00 C ATOM 634 C ASP A 48 -9.131 -6.126 4.241 1.00 0.00 C ATOM 635 O ASP A 48 -8.848 -5.555 5.294 1.00 0.00 O ATOM 636 CB ASP A 48 -11.145 -6.979 3.026 1.00 0.00 C ATOM 637 CG ASP A 48 -12.517 -6.652 2.472 1.00 0.00 C ATOM 638 OD1 ASP A 48 -13.297 -5.978 3.177 1.00 0.00 O ATOM 639 OD2 ASP A 48 -12.813 -7.069 1.333 1.00 0.00 O ATOM 0 H ASP A 48 -10.329 -5.329 1.387 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.007 -5.114 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.573 -7.521 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.252 -7.642 3.884 1.00 0.00 H new ATOM 643 N ARG A 49 -8.394 -7.106 3.730 1.00 0.00 N ATOM 644 CA ARG A 49 -7.183 -7.578 4.392 1.00 0.00 C ATOM 645 C ARG A 49 -6.010 -6.650 4.099 1.00 0.00 C ATOM 646 O ARG A 49 -5.496 -6.616 2.982 1.00 0.00 O ATOM 647 CB ARG A 49 -6.852 -9.002 3.942 1.00 0.00 C ATOM 648 CG ARG A 49 -7.300 -10.072 4.925 1.00 0.00 C ATOM 649 CD ARG A 49 -6.565 -9.951 6.251 1.00 0.00 C ATOM 650 NE ARG A 49 -7.438 -10.230 7.389 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.763 -11.457 7.793 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.290 -12.520 7.153 1.00 0.00 N ATOM 653 NH2 ARG A 49 -8.561 -11.620 8.837 1.00 0.00 N ATOM 0 H ARG A 49 -8.614 -7.589 2.859 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.361 -7.580 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.323 -9.188 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.776 -9.086 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.374 -9.987 5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.122 -11.059 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.722 -10.642 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.154 -8.946 6.347 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.821 -9.438 7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.675 -12.399 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.542 -13.458 7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.927 -10.806 9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.810 -12.559 9.147 1.00 0.00 H new ATOM 664 N GLN A 50 -5.592 -5.896 5.111 1.00 0.00 N ATOM 665 CA GLN A 50 -4.478 -4.966 4.962 1.00 0.00 C ATOM 666 C GLN A 50 -3.861 -4.631 6.317 1.00 0.00 C ATOM 667 O GLN A 50 -4.283 -5.157 7.348 1.00 0.00 O ATOM 668 CB GLN A 50 -4.947 -3.682 4.271 1.00 0.00 C ATOM 669 CG GLN A 50 -6.301 -3.190 4.754 1.00 0.00 C ATOM 670 CD GLN A 50 -6.320 -2.901 6.243 1.00 0.00 C ATOM 671 OE1 GLN A 50 -5.312 -2.177 6.720 1.00 0.00 O flip ATOM 672 NE2 GLN A 50 -7.230 -3.321 6.956 1.00 0.00 N flip ATOM 0 H GLN A 50 -6.008 -5.911 6.042 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.718 -5.446 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.206 -2.900 4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.995 -3.855 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.570 -2.285 4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.059 -3.939 4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.984 -3.873 6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.230 -3.117 7.955 1.00 0.00 H new ATOM 679 N GLY A 51 -2.856 -3.758 6.307 1.00 0.00 N ATOM 680 CA GLY A 51 -2.193 -3.367 7.541 1.00 0.00 C ATOM 681 C GLY A 51 -0.678 -3.406 7.432 1.00 0.00 C ATOM 682 O GLY A 51 0.025 -2.981 8.349 1.00 0.00 O ATOM 0 H GLY A 51 -2.488 -3.314 5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.507 -2.360 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.512 -4.029 8.346 1.00 0.00 H new ATOM 686 N PHE A 52 -0.173 -3.917 6.313 1.00 0.00 N ATOM 687 CA PHE A 52 1.267 -4.004 6.099 1.00 0.00 C ATOM 688 C PHE A 52 1.630 -3.566 4.682 1.00 0.00 C ATOM 689 O PHE A 52 2.046 -2.429 4.464 1.00 0.00 O ATOM 690 CB PHE A 52 1.756 -5.430 6.360 1.00 0.00 C ATOM 691 CG PHE A 52 1.575 -5.872 7.784 1.00 0.00 C ATOM 692 CD1 PHE A 52 0.328 -6.259 8.250 1.00 0.00 C ATOM 693 CD2 PHE A 52 2.651 -5.899 8.658 1.00 0.00 C ATOM 694 CE1 PHE A 52 0.157 -6.665 9.559 1.00 0.00 C ATOM 695 CE2 PHE A 52 2.486 -6.304 9.969 1.00 0.00 C ATOM 696 CZ PHE A 52 1.237 -6.687 10.421 1.00 0.00 C ATOM 0 H PHE A 52 -0.738 -4.276 5.543 1.00 0.00 H new ATOM 0 HA PHE A 52 1.761 -3.331 6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.220 -6.116 5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.812 -5.498 6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.520 -6.243 7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.629 -5.600 8.310 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.820 -6.965 9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.332 -6.321 10.640 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.106 -7.003 11.445 1.00 0.00 H new ATOM 705 N VAL A 53 1.465 -4.473 3.721 1.00 0.00 N ATOM 706 CA VAL A 53 1.771 -4.174 2.325 1.00 0.00 C ATOM 707 C VAL A 53 3.166 -3.565 2.175 1.00 0.00 C ATOM 708 O VAL A 53 3.352 -2.364 2.369 1.00 0.00 O ATOM 709 CB VAL A 53 0.734 -3.206 1.725 1.00 0.00 C ATOM 710 CG1 VAL A 53 0.971 -3.019 0.234 1.00 0.00 C ATOM 711 CG2 VAL A 53 -0.677 -3.710 1.988 1.00 0.00 C ATOM 0 H VAL A 53 1.122 -5.420 3.884 1.00 0.00 H new ATOM 0 HA VAL A 53 1.737 -5.120 1.785 1.00 0.00 H new ATOM 0 HB VAL A 53 0.848 -2.236 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.227 -2.332 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.968 -2.610 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.887 -3.981 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.398 -3.015 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.803 -4.692 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.842 -3.785 3.063 1.00 0.00 H new ATOM 721 N PRO A 54 4.171 -4.391 1.825 1.00 0.00 N ATOM 722 CA PRO A 54 5.553 -3.926 1.649 1.00 0.00 C ATOM 723 C PRO A 54 5.639 -2.659 0.803 1.00 0.00 C ATOM 724 O PRO A 54 6.127 -1.626 1.263 1.00 0.00 O ATOM 725 CB PRO A 54 6.226 -5.097 0.934 1.00 0.00 C ATOM 726 CG PRO A 54 5.463 -6.296 1.379 1.00 0.00 C ATOM 727 CD PRO A 54 4.041 -5.839 1.571 1.00 0.00 C ATOM 0 HA PRO A 54 6.020 -3.661 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.182 -4.979 -0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.279 -5.174 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.520 -7.092 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.872 -6.696 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.434 -6.038 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.565 -6.351 2.407 1.00 0.00 H new ATOM 732 N ALA A 55 5.162 -2.747 -0.435 1.00 0.00 N ATOM 733 CA ALA A 55 5.185 -1.608 -1.346 1.00 0.00 C ATOM 734 C ALA A 55 6.613 -1.167 -1.656 1.00 0.00 C ATOM 735 O ALA A 55 6.835 -0.058 -2.144 1.00 0.00 O ATOM 736 CB ALA A 55 4.392 -0.449 -0.759 1.00 0.00 C ATOM 0 H ALA A 55 4.755 -3.595 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 55 4.722 -1.921 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.417 0.395 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.359 -0.758 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.832 -0.153 0.193 1.00 0.00 H new ATOM 742 N ALA A 56 7.580 -2.039 -1.376 1.00 0.00 N ATOM 743 CA ALA A 56 8.985 -1.737 -1.627 1.00 0.00 C ATOM 744 C ALA A 56 9.404 -0.427 -0.955 1.00 0.00 C ATOM 745 O ALA A 56 9.867 -0.429 0.185 1.00 0.00 O ATOM 746 CB ALA A 56 9.253 -1.686 -3.125 1.00 0.00 C ATOM 0 H ALA A 56 7.414 -2.962 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 56 9.586 -2.535 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.305 -1.460 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.011 -2.651 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.635 -0.911 -3.579 1.00 0.00 H new ATOM 752 N TYR A 57 9.241 0.687 -1.665 1.00 0.00 N ATOM 753 CA TYR A 57 9.609 1.994 -1.129 1.00 0.00 C ATOM 754 C TYR A 57 8.428 2.966 -1.161 1.00 0.00 C ATOM 755 O TYR A 57 8.395 3.930 -0.396 1.00 0.00 O ATOM 756 CB TYR A 57 10.785 2.578 -1.916 1.00 0.00 C ATOM 757 CG TYR A 57 10.446 2.933 -3.345 1.00 0.00 C ATOM 758 CD1 TYR A 57 10.317 1.946 -4.315 1.00 0.00 C ATOM 759 CD2 TYR A 57 10.257 4.256 -3.727 1.00 0.00 C ATOM 760 CE1 TYR A 57 10.008 2.268 -5.624 1.00 0.00 C ATOM 761 CE2 TYR A 57 9.948 4.585 -5.032 1.00 0.00 C ATOM 762 CZ TYR A 57 9.825 3.588 -5.977 1.00 0.00 C ATOM 763 OH TYR A 57 9.517 3.913 -7.278 1.00 0.00 O ATOM 0 H TYR A 57 8.858 0.710 -2.610 1.00 0.00 H new ATOM 0 HA TYR A 57 9.904 1.854 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 57 11.144 3.471 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.604 1.859 -1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.460 0.911 -4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 57 10.353 5.040 -2.991 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.911 1.489 -6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.803 5.618 -5.311 1.00 0.00 H new ATOM 0 HH TYR A 57 9.420 4.885 -7.358 1.00 0.00 H new ATOM 772 N VAL A 58 7.468 2.707 -2.050 1.00 0.00 N ATOM 773 CA VAL A 58 6.280 3.551 -2.195 1.00 0.00 C ATOM 774 C VAL A 58 6.651 5.021 -2.395 1.00 0.00 C ATOM 775 O VAL A 58 7.778 5.434 -2.122 1.00 0.00 O ATOM 776 CB VAL A 58 5.321 3.406 -0.987 1.00 0.00 C ATOM 777 CG1 VAL A 58 5.883 4.070 0.264 1.00 0.00 C ATOM 778 CG2 VAL A 58 3.951 3.976 -1.325 1.00 0.00 C ATOM 0 H VAL A 58 7.491 1.911 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 58 5.761 3.203 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 58 5.218 2.342 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.181 3.946 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.835 3.607 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.036 5.132 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.289 3.866 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.048 5.032 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.533 3.438 -2.176 1.00 0.00 H new ATOM 788 N LYS A 59 5.695 5.807 -2.882 1.00 0.00 N ATOM 789 CA LYS A 59 5.925 7.228 -3.123 1.00 0.00 C ATOM 790 C LYS A 59 5.988 7.998 -1.808 1.00 0.00 C ATOM 791 O LYS A 59 6.903 8.790 -1.584 1.00 0.00 O ATOM 792 CB LYS A 59 4.821 7.809 -4.014 1.00 0.00 C ATOM 793 CG LYS A 59 4.310 6.846 -5.076 1.00 0.00 C ATOM 794 CD LYS A 59 5.450 6.222 -5.865 1.00 0.00 C ATOM 795 CE LYS A 59 6.111 7.235 -6.784 1.00 0.00 C ATOM 796 NZ LYS A 59 6.531 6.624 -8.076 1.00 0.00 N ATOM 0 H LYS A 59 4.756 5.485 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 59 6.882 7.331 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.985 8.117 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.199 8.707 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.723 6.060 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.643 7.375 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.191 5.816 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.072 5.387 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.419 8.054 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.981 7.664 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.977 7.349 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.211 5.859 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.698 6.237 -8.564 1.00 0.00 H new ATOM 806 N LYS A 60 5.007 7.760 -0.942 1.00 0.00 N ATOM 807 CA LYS A 60 4.951 8.431 0.351 1.00 0.00 C ATOM 808 C LYS A 60 4.837 9.942 0.175 1.00 0.00 C ATOM 809 O LYS A 60 5.811 10.612 -0.167 1.00 0.00 O ATOM 810 CB LYS A 60 6.193 8.094 1.179 1.00 0.00 C ATOM 811 CG LYS A 60 5.910 7.930 2.663 1.00 0.00 C ATOM 812 CD LYS A 60 5.444 6.521 2.989 1.00 0.00 C ATOM 813 CE LYS A 60 4.329 6.526 4.022 1.00 0.00 C ATOM 814 NZ LYS A 60 3.382 5.393 3.824 1.00 0.00 N ATOM 0 H LYS A 60 4.241 7.108 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 60 4.065 8.077 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.634 7.173 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.934 8.882 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.811 8.158 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.148 8.646 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.096 6.033 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.285 5.936 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.760 6.468 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.785 7.468 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.514 5.567 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.146 5.310 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.824 4.510 4.150 1.00 0.00 H new ATOM 824 N LEU A 61 3.641 10.471 0.413 1.00 0.00 N ATOM 825 CA LEU A 61 3.399 11.904 0.281 1.00 0.00 C ATOM 826 C LEU A 61 2.188 12.329 1.105 1.00 0.00 C ATOM 827 O LEU A 61 1.155 11.661 1.098 1.00 0.00 O ATOM 828 CB LEU A 61 3.186 12.272 -1.189 1.00 0.00 C ATOM 829 CG LEU A 61 3.738 13.638 -1.599 1.00 0.00 C ATOM 830 CD1 LEU A 61 3.174 14.733 -0.706 1.00 0.00 C ATOM 831 CD2 LEU A 61 5.258 13.636 -1.547 1.00 0.00 C ATOM 0 H LEU A 61 2.825 9.930 0.698 1.00 0.00 H new ATOM 0 HA LEU A 61 4.275 12.432 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.651 11.507 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.117 12.250 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 61 3.429 13.840 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.578 15.697 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.088 14.750 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.451 14.537 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.633 14.616 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.587 13.412 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.644 12.879 -2.230 1.00 0.00 H new ATOM 842 N ASP A 62 2.325 13.444 1.815 1.00 0.00 N ATOM 843 CA ASP A 62 1.241 13.960 2.645 1.00 0.00 C ATOM 844 C ASP A 62 0.253 14.767 1.809 1.00 0.00 C ATOM 845 O ASP A 62 0.161 14.511 0.590 1.00 0.00 O ATOM 846 CB ASP A 62 1.802 14.827 3.772 1.00 0.00 C ATOM 847 CG ASP A 62 2.471 14.005 4.857 1.00 0.00 C ATOM 848 OD1 ASP A 62 3.631 13.585 4.654 1.00 0.00 O ATOM 849 OD2 ASP A 62 1.836 13.778 5.907 1.00 0.00 O ATOM 0 H ASP A 62 3.175 14.008 1.833 1.00 0.00 H new ATOM 0 HA ASP A 62 0.713 13.111 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.522 15.533 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.995 15.414 4.211 1.00 0.00 H new TER 853 ASP A 62