USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 346 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 -6:sc= -4.46! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 25 MET CE :methyl 179:sc= -0.74 (180deg=-0.769) USER MOD Single : A 26 LYS NZ :NH3+ 153:sc= 0.881 (180deg=-0.305!) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -0.162 (180deg=-1.08) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.0413 X(o=0.041,f=-0.21) USER MOD Single : A 36 SER OG : rot -171:sc= -0.61 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.891 (180deg=-2.02!) USER MOD Single : A 47 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.12) USER MOD Single : A 50 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.44) USER MOD Single : A 57 TYR OH : rot 19:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= -0.606 (180deg=-1.22) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N LEU A 8 -2.471 10.481 -2.131 1.00 0.00 N ATOM 15 CA LEU A 8 -3.177 9.502 -2.948 1.00 0.00 C ATOM 16 C LEU A 8 -2.698 8.088 -2.635 1.00 0.00 C ATOM 17 O LEU A 8 -3.441 7.282 -2.073 1.00 0.00 O ATOM 18 CB LEU A 8 -2.974 9.804 -4.436 1.00 0.00 C ATOM 19 CG LEU A 8 -4.211 9.606 -5.311 1.00 0.00 C ATOM 20 CD1 LEU A 8 -4.778 8.207 -5.124 1.00 0.00 C ATOM 21 CD2 LEU A 8 -5.263 10.658 -4.991 1.00 0.00 C ATOM 0 HA LEU A 8 -4.239 9.568 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.636 10.835 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.174 9.167 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.918 9.720 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.658 8.084 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.026 7.469 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.057 8.064 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.137 10.502 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.553 10.576 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.853 11.651 -5.177 1.00 0.00 H new ATOM 32 N VAL A 9 -1.453 7.794 -3.001 1.00 0.00 N ATOM 33 CA VAL A 9 -0.870 6.477 -2.756 1.00 0.00 C ATOM 34 C VAL A 9 -1.617 5.394 -3.526 1.00 0.00 C ATOM 35 O VAL A 9 -2.847 5.357 -3.530 1.00 0.00 O ATOM 36 CB VAL A 9 -0.882 6.122 -1.256 1.00 0.00 C ATOM 37 CG1 VAL A 9 0.034 4.939 -0.976 1.00 0.00 C ATOM 38 CG2 VAL A 9 -0.480 7.328 -0.416 1.00 0.00 C ATOM 0 H VAL A 9 -0.828 8.450 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 9 0.163 6.522 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.897 5.838 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.011 4.705 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.305 4.074 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.053 5.190 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.495 7.057 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.524 7.647 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.182 8.144 -0.591 1.00 0.00 H new ATOM 48 N LEU A 10 -0.866 4.510 -4.175 1.00 0.00 N ATOM 49 CA LEU A 10 -1.459 3.422 -4.947 1.00 0.00 C ATOM 50 C LEU A 10 -0.825 2.088 -4.574 1.00 0.00 C ATOM 51 O LEU A 10 0.367 2.017 -4.281 1.00 0.00 O ATOM 52 CB LEU A 10 -1.298 3.676 -6.447 1.00 0.00 C ATOM 53 CG LEU A 10 0.012 4.351 -6.857 1.00 0.00 C ATOM 54 CD1 LEU A 10 0.286 4.126 -8.336 1.00 0.00 C ATOM 55 CD2 LEU A 10 -0.035 5.839 -6.543 1.00 0.00 C ATOM 0 H LEU A 10 0.154 4.525 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.522 3.381 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.377 2.723 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.129 4.295 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 10 0.825 3.904 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.222 4.613 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.362 3.057 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.529 4.547 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.905 6.304 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.857 6.300 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.186 5.980 -5.473 1.00 0.00 H new ATOM 66 N ALA A 11 -1.634 1.030 -4.584 1.00 0.00 N ATOM 67 CA ALA A 11 -1.155 -0.306 -4.243 1.00 0.00 C ATOM 68 C ALA A 11 -0.094 -0.785 -5.227 1.00 0.00 C ATOM 69 O ALA A 11 -0.385 -1.554 -6.142 1.00 0.00 O ATOM 70 CB ALA A 11 -2.316 -1.288 -4.198 1.00 0.00 C ATOM 0 H ALA A 11 -2.624 1.073 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.696 -0.254 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.944 -2.280 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.036 -0.966 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.801 -1.323 -5.173 1.00 0.00 H new ATOM 76 N LEU A 12 1.142 -0.330 -5.027 1.00 0.00 N ATOM 77 CA LEU A 12 2.250 -0.714 -5.898 1.00 0.00 C ATOM 78 C LEU A 12 3.132 -1.760 -5.223 1.00 0.00 C ATOM 79 O LEU A 12 4.340 -1.809 -5.453 1.00 0.00 O ATOM 80 CB LEU A 12 3.084 0.515 -6.276 1.00 0.00 C ATOM 81 CG LEU A 12 2.952 0.958 -7.734 1.00 0.00 C ATOM 82 CD1 LEU A 12 3.609 2.313 -7.942 1.00 0.00 C ATOM 83 CD2 LEU A 12 3.563 -0.080 -8.662 1.00 0.00 C ATOM 0 H LEU A 12 1.400 0.304 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 12 1.833 -1.149 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.794 1.345 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.133 0.302 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 12 1.892 1.051 -7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.505 2.612 -8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.127 3.053 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.667 2.247 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.461 0.251 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.619 -0.204 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.048 -1.032 -8.533 1.00 0.00 H new ATOM 94 N TYR A 13 2.521 -2.604 -4.397 1.00 0.00 N ATOM 95 CA TYR A 13 3.261 -3.653 -3.703 1.00 0.00 C ATOM 96 C TYR A 13 3.364 -4.898 -4.576 1.00 0.00 C ATOM 97 O TYR A 13 4.462 -5.338 -4.919 1.00 0.00 O ATOM 98 CB TYR A 13 2.614 -4.015 -2.353 1.00 0.00 C ATOM 99 CG TYR A 13 1.356 -3.242 -2.023 1.00 0.00 C ATOM 100 CD1 TYR A 13 0.109 -3.712 -2.414 1.00 0.00 C ATOM 101 CD2 TYR A 13 1.416 -2.049 -1.315 1.00 0.00 C ATOM 102 CE1 TYR A 13 -1.044 -3.013 -2.109 1.00 0.00 C ATOM 103 CE2 TYR A 13 0.269 -1.344 -1.007 1.00 0.00 C ATOM 104 CZ TYR A 13 -0.958 -1.831 -1.406 1.00 0.00 C ATOM 105 OH TYR A 13 -2.104 -1.131 -1.101 1.00 0.00 O ATOM 0 H TYR A 13 1.522 -2.583 -4.193 1.00 0.00 H new ATOM 0 HA TYR A 13 4.260 -3.266 -3.503 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.380 -5.080 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.344 -3.849 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.039 -4.638 -2.965 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.375 -1.666 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.007 -3.391 -2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.333 -0.417 -0.457 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.872 -1.556 -1.536 1.00 0.00 H new ATOM 114 N ASP A 14 2.213 -5.460 -4.940 1.00 0.00 N ATOM 115 CA ASP A 14 2.180 -6.655 -5.780 1.00 0.00 C ATOM 116 C ASP A 14 3.103 -7.741 -5.231 1.00 0.00 C ATOM 117 O ASP A 14 4.275 -7.815 -5.597 1.00 0.00 O ATOM 118 CB ASP A 14 2.586 -6.302 -7.215 1.00 0.00 C ATOM 119 CG ASP A 14 2.592 -7.508 -8.135 1.00 0.00 C ATOM 120 OD1 ASP A 14 2.196 -8.603 -7.684 1.00 0.00 O ATOM 121 OD2 ASP A 14 2.994 -7.356 -9.308 1.00 0.00 O ATOM 0 H ASP A 14 1.295 -5.109 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 14 1.160 -7.040 -5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.899 -5.553 -7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.578 -5.851 -7.207 1.00 0.00 H new ATOM 125 N TYR A 15 2.564 -8.587 -4.354 1.00 0.00 N ATOM 126 CA TYR A 15 3.342 -9.671 -3.761 1.00 0.00 C ATOM 127 C TYR A 15 2.613 -11.005 -3.891 1.00 0.00 C ATOM 128 O TYR A 15 2.937 -11.812 -4.761 1.00 0.00 O ATOM 129 CB TYR A 15 3.654 -9.368 -2.293 1.00 0.00 C ATOM 130 CG TYR A 15 5.079 -9.682 -1.903 1.00 0.00 C ATOM 131 CD1 TYR A 15 6.139 -8.937 -2.407 1.00 0.00 C ATOM 132 CD2 TYR A 15 5.367 -10.725 -1.030 1.00 0.00 C ATOM 133 CE1 TYR A 15 7.444 -9.223 -2.053 1.00 0.00 C ATOM 134 CE2 TYR A 15 6.670 -11.016 -0.671 1.00 0.00 C ATOM 135 CZ TYR A 15 7.704 -10.262 -1.185 1.00 0.00 C ATOM 136 OH TYR A 15 9.002 -10.550 -0.830 1.00 0.00 O ATOM 0 H TYR A 15 1.595 -8.542 -4.040 1.00 0.00 H new ATOM 0 HA TYR A 15 4.283 -9.748 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.456 -8.314 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.977 -9.942 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.939 -8.121 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.560 -11.318 -0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.256 -8.635 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.877 -11.830 0.008 1.00 0.00 H new ATOM 0 HH TYR A 15 9.011 -11.310 -0.211 1.00 0.00 H new ATOM 145 N GLN A 16 1.625 -11.233 -3.023 1.00 0.00 N ATOM 146 CA GLN A 16 0.845 -12.473 -3.039 1.00 0.00 C ATOM 147 C GLN A 16 0.071 -12.643 -1.735 1.00 0.00 C ATOM 148 O GLN A 16 0.186 -11.825 -0.822 1.00 0.00 O ATOM 149 CB GLN A 16 1.750 -13.690 -3.259 1.00 0.00 C ATOM 150 CG GLN A 16 3.049 -13.635 -2.471 1.00 0.00 C ATOM 151 CD GLN A 16 4.276 -13.742 -3.358 1.00 0.00 C ATOM 152 OE1 GLN A 16 5.073 -12.807 -3.450 1.00 0.00 O ATOM 153 NE2 GLN A 16 4.432 -14.883 -4.017 1.00 0.00 N ATOM 0 H GLN A 16 1.345 -10.573 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 16 0.139 -12.405 -3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.205 -14.592 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.982 -13.772 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.091 -12.701 -1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.061 -14.445 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.747 -15.631 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.237 -15.012 -4.630 1.00 0.00 H new ATOM 160 N GLU A 17 -0.714 -13.711 -1.654 1.00 0.00 N ATOM 161 CA GLU A 17 -1.506 -13.990 -0.460 1.00 0.00 C ATOM 162 C GLU A 17 -1.058 -15.289 0.206 1.00 0.00 C ATOM 163 O GLU A 17 -1.171 -15.444 1.422 1.00 0.00 O ATOM 164 CB GLU A 17 -2.991 -14.073 -0.816 1.00 0.00 C ATOM 165 CG GLU A 17 -3.486 -12.895 -1.641 1.00 0.00 C ATOM 166 CD GLU A 17 -4.892 -13.104 -2.167 1.00 0.00 C ATOM 167 OE1 GLU A 17 -5.305 -14.273 -2.313 1.00 0.00 O ATOM 168 OE2 GLU A 17 -5.583 -12.097 -2.432 1.00 0.00 O ATOM 0 H GLU A 17 -0.820 -14.398 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.351 -13.172 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.173 -14.995 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.574 -14.132 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.460 -11.992 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.808 -12.733 -2.479 1.00 0.00 H new ATOM 233 N GLU A 22 1.464 -12.163 5.626 1.00 0.00 N ATOM 234 CA GLU A 22 0.240 -11.696 6.264 1.00 0.00 C ATOM 235 C GLU A 22 -0.921 -11.686 5.275 1.00 0.00 C ATOM 236 O GLU A 22 -1.862 -12.470 5.400 1.00 0.00 O ATOM 237 CB GLU A 22 0.445 -10.296 6.848 1.00 0.00 C ATOM 238 CG GLU A 22 0.642 -10.289 8.355 1.00 0.00 C ATOM 239 CD GLU A 22 -0.621 -9.917 9.107 1.00 0.00 C ATOM 240 OE1 GLU A 22 -1.722 -10.128 8.558 1.00 0.00 O ATOM 241 OE2 GLU A 22 -0.508 -9.414 10.245 1.00 0.00 O ATOM 0 HA GLU A 22 -0.004 -12.385 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.313 -9.837 6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.418 -9.678 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.976 -11.275 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.433 -9.585 8.611 1.00 0.00 H new ATOM 246 N VAL A 23 -0.849 -10.795 4.291 1.00 0.00 N ATOM 247 CA VAL A 23 -1.898 -10.687 3.281 1.00 0.00 C ATOM 248 C VAL A 23 -1.334 -10.204 1.950 1.00 0.00 C ATOM 249 O VAL A 23 -1.294 -10.950 0.973 1.00 0.00 O ATOM 250 CB VAL A 23 -3.023 -9.726 3.722 1.00 0.00 C ATOM 251 CG1 VAL A 23 -4.356 -10.162 3.132 1.00 0.00 C ATOM 252 CG2 VAL A 23 -3.110 -9.644 5.240 1.00 0.00 C ATOM 0 H VAL A 23 -0.078 -10.139 4.171 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.314 -11.687 3.161 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.785 -8.731 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.138 -9.474 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.292 -10.156 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.594 -11.168 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.911 -8.960 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.318 -10.634 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.164 -9.279 5.639 1.00 0.00 H new ATOM 262 N THR A 24 -0.898 -8.945 1.920 1.00 0.00 N ATOM 263 CA THR A 24 -0.336 -8.352 0.708 1.00 0.00 C ATOM 264 C THR A 24 -1.325 -8.432 -0.451 1.00 0.00 C ATOM 265 O THR A 24 -2.427 -8.962 -0.302 1.00 0.00 O ATOM 266 CB THR A 24 0.973 -9.050 0.329 1.00 0.00 C ATOM 267 OG1 THR A 24 1.466 -9.820 1.411 1.00 0.00 O ATOM 268 CG2 THR A 24 2.063 -8.085 -0.082 1.00 0.00 C ATOM 0 H THR A 24 -0.923 -8.316 2.722 1.00 0.00 H new ATOM 0 HA THR A 24 -0.132 -7.301 0.913 1.00 0.00 H new ATOM 0 HB THR A 24 0.727 -9.684 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.302 -10.258 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.964 -8.642 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.733 -7.511 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.278 -7.406 0.743 1.00 0.00 H new ATOM 276 N MET A 25 -0.926 -7.901 -1.603 1.00 0.00 N ATOM 277 CA MET A 25 -1.779 -7.909 -2.785 1.00 0.00 C ATOM 278 C MET A 25 -1.069 -7.263 -3.972 1.00 0.00 C ATOM 279 O MET A 25 0.111 -6.923 -3.889 1.00 0.00 O ATOM 280 CB MET A 25 -3.084 -7.168 -2.498 1.00 0.00 C ATOM 281 CG MET A 25 -2.877 -5.712 -2.119 1.00 0.00 C ATOM 282 SD MET A 25 -3.026 -5.428 -0.345 1.00 0.00 S ATOM 283 CE MET A 25 -4.777 -5.726 -0.101 1.00 0.00 C ATOM 0 H MET A 25 -0.017 -7.460 -1.742 1.00 0.00 H new ATOM 0 HA MET A 25 -2.002 -8.946 -3.036 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.724 -7.220 -3.379 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.612 -7.675 -1.690 1.00 0.00 H new ATOM 0 HG2 MET A 25 -1.890 -5.390 -2.453 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.607 -5.097 -2.644 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.023 -5.606 0.954 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.353 -5.013 -0.691 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.021 -6.740 -0.418 1.00 0.00 H new ATOM 291 N LYS A 26 -1.798 -7.093 -5.073 1.00 0.00 N ATOM 292 CA LYS A 26 -1.238 -6.486 -6.277 1.00 0.00 C ATOM 293 C LYS A 26 -2.228 -5.516 -6.911 1.00 0.00 C ATOM 294 O LYS A 26 -3.283 -5.228 -6.344 1.00 0.00 O ATOM 295 CB LYS A 26 -0.840 -7.562 -7.299 1.00 0.00 C ATOM 296 CG LYS A 26 -1.241 -8.978 -6.908 1.00 0.00 C ATOM 297 CD LYS A 26 -0.216 -9.613 -5.979 1.00 0.00 C ATOM 298 CE LYS A 26 0.313 -10.921 -6.547 1.00 0.00 C ATOM 299 NZ LYS A 26 0.694 -10.790 -7.981 1.00 0.00 N ATOM 0 H LYS A 26 -2.777 -7.367 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.346 -5.933 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.295 -7.320 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.240 -7.529 -7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.215 -8.959 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.347 -9.588 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.612 -8.922 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.669 -9.795 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.179 -11.244 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.447 -11.696 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.433 -11.485 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.139 -10.963 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.054 -9.831 -8.158 1.00 0.00 H new ATOM 309 N LYS A 27 -1.878 -5.014 -8.092 1.00 0.00 N ATOM 310 CA LYS A 27 -2.734 -4.076 -8.810 1.00 0.00 C ATOM 311 C LYS A 27 -2.906 -2.780 -8.023 1.00 0.00 C ATOM 312 O LYS A 27 -3.394 -2.789 -6.893 1.00 0.00 O ATOM 313 CB LYS A 27 -4.102 -4.705 -9.085 1.00 0.00 C ATOM 314 CG LYS A 27 -4.851 -4.053 -10.235 1.00 0.00 C ATOM 315 CD LYS A 27 -5.896 -4.989 -10.820 1.00 0.00 C ATOM 316 CE LYS A 27 -7.045 -5.216 -9.850 1.00 0.00 C ATOM 317 NZ LYS A 27 -6.767 -6.337 -8.911 1.00 0.00 N ATOM 0 H LYS A 27 -1.007 -5.242 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.253 -3.841 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.968 -5.764 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.710 -4.640 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.333 -3.140 -9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.145 -3.763 -11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.281 -4.571 -11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.433 -5.944 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.226 -4.303 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.956 -5.429 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.545 -7.026 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.877 -6.803 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.684 -5.966 -7.943 1.00 0.00 H new ATOM 327 N GLY A 28 -2.504 -1.667 -8.630 1.00 0.00 N ATOM 328 CA GLY A 28 -2.626 -0.378 -7.972 1.00 0.00 C ATOM 329 C GLY A 28 -4.058 -0.051 -7.602 1.00 0.00 C ATOM 330 O GLY A 28 -4.496 -0.321 -6.483 1.00 0.00 O ATOM 0 H GLY A 28 -2.096 -1.635 -9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.011 -0.373 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.237 0.400 -8.628 1.00 0.00 H new ATOM 334 N ASP A 29 -4.795 0.531 -8.544 1.00 0.00 N ATOM 335 CA ASP A 29 -6.190 0.896 -8.315 1.00 0.00 C ATOM 336 C ASP A 29 -6.350 1.665 -7.005 1.00 0.00 C ATOM 337 O ASP A 29 -7.403 1.616 -6.370 1.00 0.00 O ATOM 338 CB ASP A 29 -7.069 -0.357 -8.294 1.00 0.00 C ATOM 339 CG ASP A 29 -8.452 -0.101 -8.858 1.00 0.00 C ATOM 340 OD1 ASP A 29 -9.169 0.762 -8.308 1.00 0.00 O ATOM 341 OD2 ASP A 29 -8.821 -0.763 -9.852 1.00 0.00 O ATOM 0 H ASP A 29 -4.448 0.760 -9.475 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.507 1.543 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.585 -1.147 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.158 -0.718 -7.269 1.00 0.00 H new ATOM 345 N ILE A 30 -5.297 2.374 -6.611 1.00 0.00 N ATOM 346 CA ILE A 30 -5.315 3.154 -5.379 1.00 0.00 C ATOM 347 C ILE A 30 -5.592 2.264 -4.169 1.00 0.00 C ATOM 348 O ILE A 30 -5.969 1.102 -4.313 1.00 0.00 O ATOM 349 CB ILE A 30 -6.367 4.281 -5.426 1.00 0.00 C ATOM 350 CG1 ILE A 30 -6.471 4.860 -6.840 1.00 0.00 C ATOM 351 CG2 ILE A 30 -6.009 5.373 -4.430 1.00 0.00 C ATOM 352 CD1 ILE A 30 -5.155 5.379 -7.378 1.00 0.00 C ATOM 0 H ILE A 30 -4.419 2.424 -7.128 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.327 3.603 -5.282 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.337 3.864 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.851 4.091 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.199 5.671 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.758 6.163 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.980 4.953 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.032 5.786 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.303 5.774 -8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.783 6.171 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.430 4.566 -7.411 1.00 0.00 H new ATOM 363 N LEU A 31 -5.396 2.821 -2.978 1.00 0.00 N ATOM 364 CA LEU A 31 -5.614 2.085 -1.739 1.00 0.00 C ATOM 365 C LEU A 31 -5.872 3.043 -0.579 1.00 0.00 C ATOM 366 O LEU A 31 -5.950 4.257 -0.771 1.00 0.00 O ATOM 367 CB LEU A 31 -4.402 1.198 -1.430 1.00 0.00 C ATOM 368 CG LEU A 31 -3.121 1.940 -1.021 1.00 0.00 C ATOM 369 CD1 LEU A 31 -2.959 3.236 -1.805 1.00 0.00 C ATOM 370 CD2 LEU A 31 -3.122 2.217 0.473 1.00 0.00 C ATOM 0 H LEU A 31 -5.085 3.783 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.493 1.453 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.673 0.510 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.184 0.593 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.272 1.299 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.043 3.738 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.905 3.012 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.813 3.886 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.207 2.743 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.985 2.832 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.175 1.274 1.018 1.00 0.00 H new ATOM 381 N THR A 32 -5.999 2.490 0.625 1.00 0.00 N ATOM 382 CA THR A 32 -6.247 3.299 1.818 1.00 0.00 C ATOM 383 C THR A 32 -5.215 3.005 2.901 1.00 0.00 C ATOM 384 O THR A 32 -4.539 1.977 2.868 1.00 0.00 O ATOM 385 CB THR A 32 -7.654 3.042 2.356 1.00 0.00 C ATOM 386 OG1 THR A 32 -8.628 3.313 1.364 1.00 0.00 O ATOM 387 CG2 THR A 32 -7.990 3.879 3.572 1.00 0.00 C ATOM 0 H THR A 32 -5.935 1.487 0.801 1.00 0.00 H new ATOM 0 HA THR A 32 -6.162 4.348 1.535 1.00 0.00 H new ATOM 0 HB THR A 32 -7.667 1.991 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.522 3.141 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.002 3.649 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.286 3.656 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.924 4.936 3.315 1.00 0.00 H new ATOM 395 N LEU A 33 -5.097 3.915 3.861 1.00 0.00 N ATOM 396 CA LEU A 33 -4.145 3.755 4.955 1.00 0.00 C ATOM 397 C LEU A 33 -4.824 3.957 6.304 1.00 0.00 C ATOM 398 O LEU A 33 -6.050 4.039 6.388 1.00 0.00 O ATOM 399 CB LEU A 33 -2.988 4.746 4.799 1.00 0.00 C ATOM 400 CG LEU A 33 -2.592 5.062 3.356 1.00 0.00 C ATOM 401 CD1 LEU A 33 -1.791 6.352 3.293 1.00 0.00 C ATOM 402 CD2 LEU A 33 -1.799 3.909 2.758 1.00 0.00 C ATOM 0 H LEU A 33 -5.649 4.772 3.904 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.753 2.738 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.258 5.677 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.117 4.348 5.319 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.501 5.195 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.518 6.561 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.393 7.173 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.887 6.249 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.525 4.150 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.896 3.745 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.408 3.005 2.769 1.00 0.00 H new ATOM 413 N LEU A 34 -4.020 4.037 7.359 1.00 0.00 N ATOM 414 CA LEU A 34 -4.541 4.230 8.707 1.00 0.00 C ATOM 415 C LEU A 34 -3.406 4.380 9.714 1.00 0.00 C ATOM 416 O LEU A 34 -2.901 3.393 10.250 1.00 0.00 O ATOM 417 CB LEU A 34 -5.436 3.053 9.103 1.00 0.00 C ATOM 418 CG LEU A 34 -6.174 3.219 10.433 1.00 0.00 C ATOM 419 CD1 LEU A 34 -7.405 2.328 10.474 1.00 0.00 C ATOM 420 CD2 LEU A 34 -5.246 2.905 11.598 1.00 0.00 C ATOM 0 H LEU A 34 -3.004 3.971 7.306 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.131 5.146 8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.171 2.894 8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.824 2.152 9.154 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.499 4.256 10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.917 2.459 11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.078 2.599 9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.104 1.286 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.786 3.028 12.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.892 1.877 11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.394 3.585 11.578 1.00 0.00 H new ATOM 431 N ASN A 35 -3.008 5.623 9.969 1.00 0.00 N ATOM 432 CA ASN A 35 -1.931 5.904 10.912 1.00 0.00 C ATOM 433 C ASN A 35 -0.626 5.262 10.454 1.00 0.00 C ATOM 434 O ASN A 35 -0.327 4.120 10.806 1.00 0.00 O ATOM 435 CB ASN A 35 -2.302 5.396 12.306 1.00 0.00 C ATOM 436 CG ASN A 35 -1.261 5.757 13.348 1.00 0.00 C ATOM 437 OD1 ASN A 35 -1.441 6.695 14.124 1.00 0.00 O ATOM 438 ND2 ASN A 35 -0.164 5.010 13.371 1.00 0.00 N ATOM 0 H ASN A 35 -3.415 6.452 9.536 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.788 6.984 10.952 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.265 5.815 12.598 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.421 4.313 12.275 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.571 5.204 14.051 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.056 4.242 12.709 1.00 0.00 H new ATOM 444 N SER A 36 0.149 6.004 9.666 1.00 0.00 N ATOM 445 CA SER A 36 1.427 5.509 9.157 1.00 0.00 C ATOM 446 C SER A 36 2.223 6.633 8.503 1.00 0.00 C ATOM 447 O SER A 36 1.773 7.246 7.535 1.00 0.00 O ATOM 448 CB SER A 36 1.195 4.380 8.150 1.00 0.00 C ATOM 449 OG SER A 36 2.365 4.127 7.390 1.00 0.00 O ATOM 0 H SER A 36 -0.085 6.950 9.366 1.00 0.00 H new ATOM 0 HA SER A 36 2.001 5.123 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.897 3.474 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.375 4.646 7.483 1.00 0.00 H new ATOM 0 HG SER A 36 2.154 3.506 6.662 1.00 0.00 H new ATOM 454 N THR A 37 3.414 6.899 9.040 1.00 0.00 N ATOM 455 CA THR A 37 4.278 7.952 8.510 1.00 0.00 C ATOM 456 C THR A 37 5.639 7.389 8.115 1.00 0.00 C ATOM 457 O THR A 37 5.958 6.240 8.417 1.00 0.00 O ATOM 458 CB THR A 37 4.453 9.065 9.543 1.00 0.00 C ATOM 459 OG1 THR A 37 4.440 8.536 10.858 1.00 0.00 O ATOM 460 CG2 THR A 37 3.380 10.129 9.466 1.00 0.00 C ATOM 0 H THR A 37 3.801 6.400 9.841 1.00 0.00 H new ATOM 0 HA THR A 37 3.803 8.365 7.620 1.00 0.00 H new ATOM 0 HB THR A 37 5.414 9.524 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.555 9.264 11.504 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.565 10.888 10.226 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.397 10.592 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.404 9.675 9.637 1.00 0.00 H new ATOM 468 N ASN A 38 6.438 8.210 7.438 1.00 0.00 N ATOM 469 CA ASN A 38 7.768 7.798 6.999 1.00 0.00 C ATOM 470 C ASN A 38 7.681 6.657 5.989 1.00 0.00 C ATOM 471 O ASN A 38 7.800 6.873 4.783 1.00 0.00 O ATOM 472 CB ASN A 38 8.619 7.373 8.200 1.00 0.00 C ATOM 473 CG ASN A 38 9.479 8.505 8.728 1.00 0.00 C ATOM 474 OD1 ASN A 38 10.553 8.783 8.197 1.00 0.00 O ATOM 475 ND2 ASN A 38 9.007 9.164 9.778 1.00 0.00 N ATOM 0 H ASN A 38 6.187 9.165 7.182 1.00 0.00 H new ATOM 0 HA ASN A 38 8.242 8.651 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.966 7.015 8.996 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.258 6.538 7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.540 9.936 10.177 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.111 8.898 10.186 1.00 0.00 H new ATOM 481 N LYS A 39 7.470 5.443 6.489 1.00 0.00 N ATOM 482 CA LYS A 39 7.366 4.271 5.628 1.00 0.00 C ATOM 483 C LYS A 39 6.034 4.259 4.886 1.00 0.00 C ATOM 484 O LYS A 39 5.142 5.055 5.179 1.00 0.00 O ATOM 485 CB LYS A 39 7.514 2.991 6.454 1.00 0.00 C ATOM 486 CG LYS A 39 8.954 2.531 6.610 1.00 0.00 C ATOM 487 CD LYS A 39 9.530 2.948 7.954 1.00 0.00 C ATOM 488 CE LYS A 39 9.458 1.816 8.965 1.00 0.00 C ATOM 489 NZ LYS A 39 10.115 2.175 10.251 1.00 0.00 N ATOM 0 H LYS A 39 7.368 5.246 7.485 1.00 0.00 H new ATOM 0 HA LYS A 39 8.171 4.317 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.084 3.155 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.936 2.196 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.003 1.446 6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.560 2.951 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.567 3.258 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.984 3.812 8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.415 1.561 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.935 0.928 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.043 1.376 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.117 2.394 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.644 3.007 10.661 1.00 0.00 H new ATOM 499 N ASP A 40 5.905 3.350 3.925 1.00 0.00 N ATOM 500 CA ASP A 40 4.681 3.235 3.141 1.00 0.00 C ATOM 501 C ASP A 40 4.228 1.781 3.049 1.00 0.00 C ATOM 502 O ASP A 40 3.756 1.330 2.006 1.00 0.00 O ATOM 503 CB ASP A 40 4.894 3.807 1.738 1.00 0.00 C ATOM 504 CG ASP A 40 6.166 3.296 1.091 1.00 0.00 C ATOM 505 OD1 ASP A 40 6.611 2.185 1.450 1.00 0.00 O ATOM 506 OD2 ASP A 40 6.718 4.006 0.224 1.00 0.00 O ATOM 0 H ASP A 40 6.633 2.682 3.671 1.00 0.00 H new ATOM 0 HA ASP A 40 3.901 3.807 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.041 3.548 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.930 4.895 1.794 1.00 0.00 H new ATOM 510 N TRP A 41 4.375 1.054 4.152 1.00 0.00 N ATOM 511 CA TRP A 41 3.982 -0.350 4.204 1.00 0.00 C ATOM 512 C TRP A 41 3.771 -0.797 5.646 1.00 0.00 C ATOM 513 O TRP A 41 4.008 -1.955 5.990 1.00 0.00 O ATOM 514 CB TRP A 41 5.044 -1.224 3.535 1.00 0.00 C ATOM 515 CG TRP A 41 6.416 -1.030 4.107 1.00 0.00 C ATOM 516 CD1 TRP A 41 7.288 -0.019 3.820 1.00 0.00 C ATOM 517 CD2 TRP A 41 7.075 -1.869 5.062 1.00 0.00 C ATOM 518 NE1 TRP A 41 8.447 -0.178 4.540 1.00 0.00 N ATOM 519 CE2 TRP A 41 8.341 -1.306 5.311 1.00 0.00 C ATOM 520 CE3 TRP A 41 6.716 -3.041 5.735 1.00 0.00 C ATOM 521 CZ2 TRP A 41 9.249 -1.876 6.199 1.00 0.00 C ATOM 522 CZ3 TRP A 41 7.617 -3.606 6.618 1.00 0.00 C ATOM 523 CH2 TRP A 41 8.871 -3.023 6.844 1.00 0.00 C ATOM 0 H TRP A 41 4.764 1.415 5.023 1.00 0.00 H new ATOM 0 HA TRP A 41 3.041 -0.461 3.665 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.760 -2.271 3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.068 -1.003 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.095 0.788 3.128 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.256 0.443 4.506 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.751 -3.497 5.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.217 -1.429 6.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.350 -4.512 7.142 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.553 -3.488 7.541 1.00 0.00 H new ATOM 533 N TRP A 42 3.327 0.132 6.487 1.00 0.00 N ATOM 534 CA TRP A 42 3.087 -0.162 7.895 1.00 0.00 C ATOM 535 C TRP A 42 1.859 -1.048 8.070 1.00 0.00 C ATOM 536 O TRP A 42 1.900 -2.043 8.794 1.00 0.00 O ATOM 537 CB TRP A 42 2.910 1.138 8.683 1.00 0.00 C ATOM 538 CG TRP A 42 4.174 1.622 9.322 1.00 0.00 C ATOM 539 CD1 TRP A 42 5.016 2.587 8.848 1.00 0.00 C ATOM 540 CD2 TRP A 42 4.744 1.162 10.554 1.00 0.00 C ATOM 541 NE1 TRP A 42 6.073 2.757 9.708 1.00 0.00 N ATOM 542 CE2 TRP A 42 5.929 1.892 10.764 1.00 0.00 C ATOM 543 CE3 TRP A 42 4.367 0.203 11.498 1.00 0.00 C ATOM 544 CZ2 TRP A 42 6.738 1.694 11.880 1.00 0.00 C ATOM 545 CZ3 TRP A 42 5.171 0.008 12.605 1.00 0.00 C ATOM 546 CH2 TRP A 42 6.345 0.751 12.789 1.00 0.00 C ATOM 0 H TRP A 42 3.126 1.095 6.217 1.00 0.00 H new ATOM 0 HA TRP A 42 3.953 -0.700 8.280 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.531 1.911 8.014 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.156 0.986 9.455 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.872 3.137 7.930 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.840 3.418 9.583 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.464 -0.375 11.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.644 2.265 12.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.890 -0.730 13.341 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.951 0.575 13.666 1.00 0.00 H new ATOM 556 N LYS A 43 0.765 -0.682 7.408 1.00 0.00 N ATOM 557 CA LYS A 43 -0.470 -1.450 7.501 1.00 0.00 C ATOM 558 C LYS A 43 -1.468 -1.027 6.425 1.00 0.00 C ATOM 559 O LYS A 43 -2.281 -0.128 6.639 1.00 0.00 O ATOM 560 CB LYS A 43 -1.095 -1.277 8.887 1.00 0.00 C ATOM 561 CG LYS A 43 -2.417 -2.008 9.059 1.00 0.00 C ATOM 562 CD LYS A 43 -2.480 -2.750 10.386 1.00 0.00 C ATOM 563 CE LYS A 43 -2.730 -1.797 11.544 1.00 0.00 C ATOM 564 NZ LYS A 43 -1.552 -0.928 11.814 1.00 0.00 N ATOM 0 H LYS A 43 0.710 0.138 6.804 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.224 -2.500 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.392 -1.634 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.251 -0.215 9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.238 -1.294 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.552 -2.715 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.273 -3.497 10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.545 -3.286 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.596 -1.174 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.971 -2.370 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.615 -0.548 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.680 -1.486 11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.537 -0.142 11.133 1.00 0.00 H new ATOM 574 N VAL A 44 -1.406 -1.686 5.273 1.00 0.00 N ATOM 575 CA VAL A 44 -2.312 -1.385 4.171 1.00 0.00 C ATOM 576 C VAL A 44 -3.470 -2.379 4.135 1.00 0.00 C ATOM 577 O VAL A 44 -3.271 -3.581 4.299 1.00 0.00 O ATOM 578 CB VAL A 44 -1.585 -1.411 2.813 1.00 0.00 C ATOM 579 CG1 VAL A 44 -2.503 -0.923 1.704 1.00 0.00 C ATOM 580 CG2 VAL A 44 -0.316 -0.575 2.871 1.00 0.00 C ATOM 0 H VAL A 44 -0.738 -2.432 5.078 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.697 -0.380 4.343 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.305 -2.441 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.971 -0.949 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.380 -1.568 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.818 0.099 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.184 -0.605 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.571 0.456 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.349 -0.976 3.636 1.00 0.00 H new ATOM 590 N GLU A 45 -4.680 -1.868 3.926 1.00 0.00 N ATOM 591 CA GLU A 45 -5.868 -2.718 3.878 1.00 0.00 C ATOM 592 C GLU A 45 -6.442 -2.781 2.464 1.00 0.00 C ATOM 593 O GLU A 45 -6.412 -3.830 1.820 1.00 0.00 O ATOM 594 CB GLU A 45 -6.937 -2.215 4.857 1.00 0.00 C ATOM 595 CG GLU A 45 -6.813 -0.740 5.213 1.00 0.00 C ATOM 596 CD GLU A 45 -5.765 -0.485 6.280 1.00 0.00 C ATOM 597 OE1 GLU A 45 -4.886 -1.353 6.467 1.00 0.00 O ATOM 598 OE2 GLU A 45 -5.823 0.583 6.925 1.00 0.00 O ATOM 0 H GLU A 45 -4.865 -0.874 3.788 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.567 -3.723 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.922 -2.391 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.881 -2.804 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.560 -0.174 4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.778 -0.371 5.561 1.00 0.00 H new ATOM 603 N VAL A 46 -6.967 -1.655 1.989 1.00 0.00 N ATOM 604 CA VAL A 46 -7.551 -1.586 0.653 1.00 0.00 C ATOM 605 C VAL A 46 -8.908 -2.281 0.611 1.00 0.00 C ATOM 606 O VAL A 46 -9.032 -3.393 0.098 1.00 0.00 O ATOM 607 CB VAL A 46 -6.630 -2.222 -0.411 1.00 0.00 C ATOM 608 CG1 VAL A 46 -7.062 -1.804 -1.808 1.00 0.00 C ATOM 609 CG2 VAL A 46 -5.177 -1.849 -0.159 1.00 0.00 C ATOM 0 H VAL A 46 -7.000 -0.778 2.509 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.675 -0.528 0.423 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.717 -3.306 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.402 -2.261 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.086 -2.132 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.008 -0.719 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.546 -2.308 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.067 -0.765 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.875 -2.206 0.826 1.00 0.00 H new ATOM 619 N ASN A 47 -9.924 -1.618 1.156 1.00 0.00 N ATOM 620 CA ASN A 47 -11.277 -2.168 1.184 1.00 0.00 C ATOM 621 C ASN A 47 -11.358 -3.370 2.120 1.00 0.00 C ATOM 622 O ASN A 47 -12.007 -3.313 3.164 1.00 0.00 O ATOM 623 CB ASN A 47 -11.721 -2.571 -0.224 1.00 0.00 C ATOM 624 CG ASN A 47 -11.452 -1.486 -1.248 1.00 0.00 C ATOM 625 OD1 ASN A 47 -11.737 -0.311 -1.015 1.00 0.00 O ATOM 626 ND2 ASN A 47 -10.901 -1.875 -2.393 1.00 0.00 N ATOM 0 H ASN A 47 -9.836 -0.697 1.585 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.946 -1.393 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.201 -3.482 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.786 -2.801 -0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.698 -1.189 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.681 -2.859 -2.545 1.00 0.00 H new ATOM 632 N ASP A 48 -10.693 -4.456 1.740 1.00 0.00 N ATOM 633 CA ASP A 48 -10.689 -5.672 2.545 1.00 0.00 C ATOM 634 C ASP A 48 -9.264 -6.066 2.925 1.00 0.00 C ATOM 635 O ASP A 48 -8.338 -5.262 2.812 1.00 0.00 O ATOM 636 CB ASP A 48 -11.363 -6.814 1.782 1.00 0.00 C ATOM 637 CG ASP A 48 -12.246 -7.666 2.674 1.00 0.00 C ATOM 638 OD1 ASP A 48 -11.763 -8.105 3.738 1.00 0.00 O ATOM 639 OD2 ASP A 48 -13.417 -7.891 2.307 1.00 0.00 O ATOM 0 H ASP A 48 -10.150 -4.519 0.879 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.248 -5.477 3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.962 -6.401 0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.599 -7.443 1.325 1.00 0.00 H new ATOM 643 N ARG A 49 -9.095 -7.305 3.378 1.00 0.00 N ATOM 644 CA ARG A 49 -7.781 -7.804 3.775 1.00 0.00 C ATOM 645 C ARG A 49 -7.283 -7.086 5.025 1.00 0.00 C ATOM 646 O ARG A 49 -7.461 -5.877 5.172 1.00 0.00 O ATOM 647 CB ARG A 49 -6.775 -7.629 2.634 1.00 0.00 C ATOM 648 CG ARG A 49 -7.313 -8.049 1.275 1.00 0.00 C ATOM 649 CD ARG A 49 -6.691 -9.354 0.804 1.00 0.00 C ATOM 650 NE ARG A 49 -6.850 -10.422 1.790 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.443 -11.675 1.593 1.00 0.00 C ATOM 652 NH1 ARG A 49 -5.858 -12.020 0.454 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.624 -12.585 2.542 1.00 0.00 N ATOM 0 H ARG A 49 -9.851 -7.982 3.479 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.877 -8.866 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.471 -6.583 2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.881 -8.212 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.396 -8.161 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.111 -7.265 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.152 -9.657 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.631 -9.199 0.604 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.297 -10.195 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.717 -11.324 -0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.549 -12.981 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.074 -12.324 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.313 -13.545 2.394 1.00 0.00 H new ATOM 664 N GLN A 50 -6.658 -7.841 5.924 1.00 0.00 N ATOM 665 CA GLN A 50 -6.134 -7.278 7.163 1.00 0.00 C ATOM 666 C GLN A 50 -4.942 -6.368 6.887 1.00 0.00 C ATOM 667 O GLN A 50 -4.659 -6.028 5.738 1.00 0.00 O ATOM 668 CB GLN A 50 -5.724 -8.399 8.121 1.00 0.00 C ATOM 669 CG GLN A 50 -6.051 -8.104 9.576 1.00 0.00 C ATOM 670 CD GLN A 50 -6.594 -9.315 10.309 1.00 0.00 C ATOM 671 OE1 GLN A 50 -7.446 -10.037 9.792 1.00 0.00 O ATOM 672 NE2 GLN A 50 -6.101 -9.543 11.521 1.00 0.00 N ATOM 0 H GLN A 50 -6.502 -8.843 5.817 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.922 -6.683 7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.224 -9.321 7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.652 -8.573 8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.153 -7.750 10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.782 -7.297 9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.395 -8.918 11.910 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.428 -10.343 12.062 1.00 0.00 H new ATOM 679 N GLY A 51 -4.244 -5.974 7.953 1.00 0.00 N ATOM 680 CA GLY A 51 -3.088 -5.104 7.810 1.00 0.00 C ATOM 681 C GLY A 51 -1.841 -5.862 7.396 1.00 0.00 C ATOM 682 O GLY A 51 -1.927 -6.958 6.843 1.00 0.00 O ATOM 0 H GLY A 51 -4.460 -6.243 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.305 -4.335 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.902 -4.593 8.755 1.00 0.00 H new ATOM 686 N PHE A 52 -0.678 -5.275 7.663 1.00 0.00 N ATOM 687 CA PHE A 52 0.592 -5.902 7.314 1.00 0.00 C ATOM 688 C PHE A 52 0.683 -6.142 5.811 1.00 0.00 C ATOM 689 O PHE A 52 -0.005 -7.007 5.267 1.00 0.00 O ATOM 690 CB PHE A 52 0.756 -7.223 8.069 1.00 0.00 C ATOM 691 CG PHE A 52 1.656 -7.122 9.267 1.00 0.00 C ATOM 692 CD1 PHE A 52 3.029 -7.246 9.130 1.00 0.00 C ATOM 693 CD2 PHE A 52 1.128 -6.902 10.529 1.00 0.00 C ATOM 694 CE1 PHE A 52 3.859 -7.153 10.231 1.00 0.00 C ATOM 695 CE2 PHE A 52 1.953 -6.808 11.634 1.00 0.00 C ATOM 696 CZ PHE A 52 3.321 -6.934 11.484 1.00 0.00 C ATOM 0 H PHE A 52 -0.589 -4.367 8.119 1.00 0.00 H new ATOM 0 HA PHE A 52 1.397 -5.226 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.225 -7.573 8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.155 -7.974 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.455 -7.417 8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.059 -6.803 10.651 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.928 -7.252 10.112 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.529 -6.636 12.613 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.968 -6.861 12.345 1.00 0.00 H new ATOM 705 N VAL A 53 1.534 -5.371 5.143 1.00 0.00 N ATOM 706 CA VAL A 53 1.710 -5.499 3.703 1.00 0.00 C ATOM 707 C VAL A 53 3.171 -5.284 3.303 1.00 0.00 C ATOM 708 O VAL A 53 3.637 -4.147 3.216 1.00 0.00 O ATOM 709 CB VAL A 53 0.819 -4.499 2.939 1.00 0.00 C ATOM 710 CG1 VAL A 53 1.009 -4.639 1.437 1.00 0.00 C ATOM 711 CG2 VAL A 53 -0.642 -4.698 3.316 1.00 0.00 C ATOM 0 H VAL A 53 2.112 -4.651 5.577 1.00 0.00 H new ATOM 0 HA VAL A 53 1.414 -6.513 3.435 1.00 0.00 H new ATOM 0 HB VAL A 53 1.117 -3.490 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.370 -3.923 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.051 -4.445 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.743 -5.650 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.259 -3.985 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.948 -5.713 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.766 -4.539 4.387 1.00 0.00 H new ATOM 721 N PRO A 54 3.914 -6.379 3.052 1.00 0.00 N ATOM 722 CA PRO A 54 5.327 -6.313 2.658 1.00 0.00 C ATOM 723 C PRO A 54 5.523 -5.525 1.368 1.00 0.00 C ATOM 724 O PRO A 54 4.779 -4.586 1.088 1.00 0.00 O ATOM 725 CB PRO A 54 5.721 -7.782 2.464 1.00 0.00 C ATOM 726 CG PRO A 54 4.708 -8.558 3.229 1.00 0.00 C ATOM 727 CD PRO A 54 3.438 -7.766 3.133 1.00 0.00 C ATOM 0 HA PRO A 54 5.936 -5.800 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.714 -8.056 1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.728 -7.973 2.836 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.580 -9.556 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.014 -8.685 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.855 -8.044 2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.799 -7.923 4.002 1.00 0.00 H new ATOM 732 N ALA A 55 6.540 -5.899 0.588 1.00 0.00 N ATOM 733 CA ALA A 55 6.846 -5.217 -0.668 1.00 0.00 C ATOM 734 C ALA A 55 7.642 -3.943 -0.408 1.00 0.00 C ATOM 735 O ALA A 55 8.566 -3.613 -1.153 1.00 0.00 O ATOM 736 CB ALA A 55 5.573 -4.905 -1.448 1.00 0.00 C ATOM 0 H ALA A 55 7.167 -6.674 0.807 1.00 0.00 H new ATOM 0 HA ALA A 55 7.456 -5.887 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.831 -4.398 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.048 -5.833 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.929 -4.261 -0.850 1.00 0.00 H new ATOM 742 N ALA A 56 7.283 -3.233 0.659 1.00 0.00 N ATOM 743 CA ALA A 56 7.964 -2.002 1.024 1.00 0.00 C ATOM 744 C ALA A 56 7.690 -0.900 0.008 1.00 0.00 C ATOM 745 O ALA A 56 6.911 0.017 0.266 1.00 0.00 O ATOM 746 CB ALA A 56 9.462 -2.243 1.157 1.00 0.00 C ATOM 0 H ALA A 56 6.521 -3.494 1.285 1.00 0.00 H new ATOM 0 HA ALA A 56 7.575 -1.675 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.957 -1.312 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.643 -2.991 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.859 -2.599 0.206 1.00 0.00 H new ATOM 752 N TYR A 57 8.335 -0.996 -1.151 1.00 0.00 N ATOM 753 CA TYR A 57 8.160 -0.008 -2.209 1.00 0.00 C ATOM 754 C TYR A 57 6.684 0.162 -2.556 1.00 0.00 C ATOM 755 O TYR A 57 5.863 -0.701 -2.248 1.00 0.00 O ATOM 756 CB TYR A 57 8.955 -0.416 -3.456 1.00 0.00 C ATOM 757 CG TYR A 57 8.272 -1.469 -4.305 1.00 0.00 C ATOM 758 CD1 TYR A 57 7.494 -2.464 -3.726 1.00 0.00 C ATOM 759 CD2 TYR A 57 8.405 -1.463 -5.689 1.00 0.00 C ATOM 760 CE1 TYR A 57 6.868 -3.422 -4.500 1.00 0.00 C ATOM 761 CE2 TYR A 57 7.780 -2.418 -6.468 1.00 0.00 C ATOM 762 CZ TYR A 57 7.015 -3.395 -5.868 1.00 0.00 C ATOM 763 OH TYR A 57 6.393 -4.348 -6.641 1.00 0.00 O ATOM 0 H TYR A 57 8.984 -1.749 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 57 8.538 0.948 -1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 57 9.133 0.469 -4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.931 -0.791 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.377 -2.489 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.006 -0.700 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.266 -4.188 -4.034 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.890 -2.399 -7.542 1.00 0.00 H new ATOM 0 HH TYR A 57 5.668 -4.762 -6.129 1.00 0.00 H new ATOM 772 N VAL A 58 6.357 1.276 -3.197 1.00 0.00 N ATOM 773 CA VAL A 58 4.981 1.554 -3.585 1.00 0.00 C ATOM 774 C VAL A 58 4.876 2.895 -4.309 1.00 0.00 C ATOM 775 O VAL A 58 4.265 2.987 -5.373 1.00 0.00 O ATOM 776 CB VAL A 58 4.045 1.550 -2.357 1.00 0.00 C ATOM 777 CG1 VAL A 58 4.536 2.532 -1.306 1.00 0.00 C ATOM 778 CG2 VAL A 58 2.611 1.858 -2.765 1.00 0.00 C ATOM 0 H VAL A 58 7.025 2.001 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 58 4.669 0.762 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 58 4.060 0.551 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.863 2.514 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.539 2.251 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.559 3.536 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.972 1.849 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.569 2.841 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.264 1.104 -3.472 1.00 0.00 H new ATOM 788 N LYS A 59 5.486 3.928 -3.735 1.00 0.00 N ATOM 789 CA LYS A 59 5.468 5.258 -4.335 1.00 0.00 C ATOM 790 C LYS A 59 6.251 6.252 -3.477 1.00 0.00 C ATOM 791 O LYS A 59 6.765 5.900 -2.417 1.00 0.00 O ATOM 792 CB LYS A 59 4.021 5.738 -4.540 1.00 0.00 C ATOM 793 CG LYS A 59 3.471 6.587 -3.403 1.00 0.00 C ATOM 794 CD LYS A 59 3.476 5.830 -2.086 1.00 0.00 C ATOM 795 CE LYS A 59 2.881 6.666 -0.964 1.00 0.00 C ATOM 796 NZ LYS A 59 2.988 5.981 0.353 1.00 0.00 N ATOM 0 H LYS A 59 5.999 3.869 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 59 5.952 5.199 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.970 6.314 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.378 4.868 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.067 7.494 -3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.454 6.899 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.908 4.906 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.497 5.549 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.393 7.627 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.833 6.873 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.204 6.283 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.942 4.951 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.893 6.230 0.801 1.00 0.00 H new ATOM 806 N LYS A 60 6.334 7.493 -3.946 1.00 0.00 N ATOM 807 CA LYS A 60 7.052 8.536 -3.222 1.00 0.00 C ATOM 808 C LYS A 60 6.157 9.748 -2.986 1.00 0.00 C ATOM 809 O LYS A 60 6.083 10.650 -3.820 1.00 0.00 O ATOM 810 CB LYS A 60 8.304 8.954 -3.996 1.00 0.00 C ATOM 811 CG LYS A 60 9.420 9.481 -3.109 1.00 0.00 C ATOM 812 CD LYS A 60 10.541 10.096 -3.929 1.00 0.00 C ATOM 813 CE LYS A 60 10.360 11.595 -4.085 1.00 0.00 C ATOM 814 NZ LYS A 60 10.970 12.349 -2.955 1.00 0.00 N ATOM 0 H LYS A 60 5.914 7.801 -4.823 1.00 0.00 H new ATOM 0 HA LYS A 60 7.350 8.133 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.674 8.099 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.034 9.722 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.019 10.227 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.817 8.668 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.498 9.892 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.572 9.628 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.811 11.919 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.297 11.828 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.825 13.369 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.523 12.059 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.989 12.147 -2.913 1.00 0.00 H new