USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 458 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 1 ASN : amide:sc= -0.993 K(o=-0.99,f=-5.8!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0.558 USER MOD Single : A 7 ASN : amide:sc=-0.00133 K(o=-0.0013,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 2.06 (180deg=1.79) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.85) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.926 K(o=0.93,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -7.845 14.519 -0.460 1.00 0.00 N ATOM 2 CA ASN A 1 -6.619 15.108 0.065 1.00 0.00 C ATOM 3 C ASN A 1 -6.908 16.391 0.833 1.00 0.00 C ATOM 4 O ASN A 1 -7.278 17.407 0.245 1.00 0.00 O ATOM 5 CB ASN A 1 -5.614 15.375 -1.041 1.00 0.00 C ATOM 6 CG ASN A 1 -4.290 15.887 -0.546 1.00 0.00 C ATOM 7 OD1 ASN A 1 -4.184 16.418 0.565 1.00 0.00 O ATOM 8 ND2 ASN A 1 -3.299 15.804 -1.397 1.00 0.00 N ATOM 0 H1 ASN A 1 -7.617 13.647 -0.978 1.00 0.00 H new ATOM 0 H2 ASN A 1 -8.488 14.296 0.327 1.00 0.00 H new ATOM 0 H3 ASN A 1 -8.306 15.193 -1.104 1.00 0.00 H new ATOM 0 HA ASN A 1 -6.184 14.384 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -5.451 14.454 -1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -6.037 16.100 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -2.386 16.188 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -3.440 15.355 -2.302 1.00 0.00 H new ATOM 17 N GLY A 2 -6.738 16.338 2.150 1.00 0.00 N ATOM 18 CA GLY A 2 -7.009 17.487 3.005 1.00 0.00 C ATOM 19 C GLY A 2 -8.409 17.413 3.601 1.00 0.00 C ATOM 20 O GLY A 2 -8.903 18.384 4.174 1.00 0.00 O ATOM 0 H GLY A 2 -6.413 15.510 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.272 17.529 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.905 18.406 2.428 1.00 0.00 H new ATOM 24 N ASP A 3 -9.045 16.254 3.462 1.00 0.00 N ATOM 25 CA ASP A 3 -10.376 16.040 4.016 1.00 0.00 C ATOM 26 C ASP A 3 -10.333 15.957 5.537 1.00 0.00 C ATOM 27 O ASP A 3 -9.282 15.701 6.125 1.00 0.00 O ATOM 28 CB ASP A 3 -10.999 14.767 3.438 1.00 0.00 C ATOM 29 CG ASP A 3 -11.426 14.882 1.981 1.00 0.00 C ATOM 30 OD1 ASP A 3 -11.437 15.976 1.469 1.00 0.00 O ATOM 31 OD2 ASP A 3 -11.583 13.865 1.347 1.00 0.00 O ATOM 0 H ASP A 3 -8.659 15.448 2.970 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.993 16.894 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.282 13.952 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.868 14.497 4.038 1.00 0.00 H new ATOM 36 N LYS A 4 -11.481 16.174 6.168 1.00 0.00 N ATOM 37 CA LYS A 4 -11.593 16.055 7.618 1.00 0.00 C ATOM 38 C LYS A 4 -11.209 14.658 8.086 1.00 0.00 C ATOM 39 O LYS A 4 -11.899 13.682 7.790 1.00 0.00 O ATOM 40 CB LYS A 4 -13.014 16.392 8.075 1.00 0.00 C ATOM 41 CG LYS A 4 -13.206 16.382 9.586 1.00 0.00 C ATOM 42 CD LYS A 4 -14.604 16.846 9.968 1.00 0.00 C ATOM 43 CE LYS A 4 -14.828 16.752 11.469 1.00 0.00 C ATOM 44 NZ LYS A 4 -16.153 17.298 11.870 1.00 0.00 N ATOM 0 H LYS A 4 -12.348 16.434 5.698 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.900 16.767 8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.282 17.377 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.706 15.678 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.037 15.376 9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.465 17.030 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.750 17.875 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.345 16.238 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.755 15.710 11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.039 17.297 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.265 17.215 12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.214 18.299 11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.907 16.762 11.395 1.00 0.00 H new ATOM 58 N GLY A 5 -10.106 14.567 8.820 1.00 0.00 N ATOM 59 CA GLY A 5 -9.635 13.290 9.344 1.00 0.00 C ATOM 60 C GLY A 5 -8.677 12.615 8.372 1.00 0.00 C ATOM 61 O GLY A 5 -8.335 11.444 8.535 1.00 0.00 O ATOM 0 H GLY A 5 -9.520 15.364 9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.136 13.448 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.486 12.636 9.533 1.00 0.00 H new ATOM 65 N TYR A 6 -8.247 13.361 7.360 1.00 0.00 N ATOM 66 CA TYR A 6 -7.290 12.850 6.385 1.00 0.00 C ATOM 67 C TYR A 6 -5.980 12.452 7.054 1.00 0.00 C ATOM 68 O TYR A 6 -5.313 13.279 7.675 1.00 0.00 O ATOM 69 CB TYR A 6 -7.027 13.893 5.296 1.00 0.00 C ATOM 70 CG TYR A 6 -6.105 13.414 4.197 1.00 0.00 C ATOM 71 CD1 TYR A 6 -6.534 12.483 3.263 1.00 0.00 C ATOM 72 CD2 TYR A 6 -4.807 13.895 4.098 1.00 0.00 C ATOM 73 CE1 TYR A 6 -5.696 12.041 2.257 1.00 0.00 C ATOM 74 CE2 TYR A 6 -3.960 13.460 3.097 1.00 0.00 C ATOM 75 CZ TYR A 6 -4.408 12.533 2.177 1.00 0.00 C ATOM 76 OH TYR A 6 -3.569 12.098 1.178 1.00 0.00 O ATOM 0 H TYR A 6 -8.546 14.322 7.193 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.723 11.960 5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -7.978 14.190 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -6.597 14.783 5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.541 12.097 3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.453 14.621 4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.046 11.315 1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.952 13.843 3.034 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.700 12.543 1.264 1.00 0.00 H new ATOM 86 N ASN A 7 -5.618 11.180 6.924 1.00 0.00 N ATOM 87 CA ASN A 7 -4.388 10.669 7.516 1.00 0.00 C ATOM 88 C ASN A 7 -3.168 11.117 6.722 1.00 0.00 C ATOM 89 O ASN A 7 -3.283 11.531 5.568 1.00 0.00 O ATOM 90 CB ASN A 7 -4.413 9.157 7.631 1.00 0.00 C ATOM 91 CG ASN A 7 -5.376 8.644 8.667 1.00 0.00 C ATOM 92 OD1 ASN A 7 -5.743 9.357 9.608 1.00 0.00 O ATOM 93 ND2 ASN A 7 -5.720 7.389 8.545 1.00 0.00 N ATOM 0 H ASN A 7 -6.160 10.483 6.413 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.318 11.085 8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.676 8.732 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.411 8.803 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.319 6.954 9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.389 6.845 7.748 1.00 0.00 H new ATOM 100 N GLY A 8 -1.998 11.032 7.347 1.00 0.00 N ATOM 101 CA GLY A 8 -0.745 11.351 6.674 1.00 0.00 C ATOM 102 C GLY A 8 -0.399 10.301 5.625 1.00 0.00 C ATOM 103 O GLY A 8 -0.806 9.144 5.734 1.00 0.00 O ATOM 0 H GLY A 8 -1.892 10.744 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.823 12.330 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.059 11.414 7.408 1.00 0.00 H new ATOM 107 N LEU A 9 0.354 10.711 4.611 1.00 0.00 N ATOM 108 CA LEU A 9 0.737 9.812 3.529 1.00 0.00 C ATOM 109 C LEU A 9 1.639 8.693 4.037 1.00 0.00 C ATOM 110 O LEU A 9 1.398 7.517 3.764 1.00 0.00 O ATOM 111 CB LEU A 9 1.437 10.595 2.411 1.00 0.00 C ATOM 112 CG LEU A 9 1.868 9.758 1.199 1.00 0.00 C ATOM 113 CD1 LEU A 9 0.648 9.134 0.535 1.00 0.00 C ATOM 114 CD2 LEU A 9 2.625 10.639 0.216 1.00 0.00 C ATOM 0 H LEU A 9 0.712 11.661 4.516 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.170 9.358 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.768 11.384 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.318 11.083 2.828 1.00 0.00 H new ATOM 0 HG LEU A 9 2.526 8.954 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.964 8.542 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.134 8.491 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.029 9.922 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.931 10.044 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.979 11.452 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.508 11.053 0.703 1.00 0.00 H new ATOM 126 N ALA A 10 2.679 9.067 4.776 1.00 0.00 N ATOM 127 CA ALA A 10 3.597 8.093 5.353 1.00 0.00 C ATOM 128 C ALA A 10 2.897 7.219 6.384 1.00 0.00 C ATOM 129 O ALA A 10 3.233 6.047 6.551 1.00 0.00 O ATOM 130 CB ALA A 10 4.793 8.799 5.977 1.00 0.00 C ATOM 0 H ALA A 10 2.906 10.038 4.989 1.00 0.00 H new ATOM 0 HA ALA A 10 3.950 7.445 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.470 8.059 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.317 9.372 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.449 9.472 6.762 1.00 0.00 H new ATOM 136 N GLU A 11 1.918 7.796 7.076 1.00 0.00 N ATOM 137 CA GLU A 11 1.128 7.053 8.050 1.00 0.00 C ATOM 138 C GLU A 11 0.345 5.930 7.384 1.00 0.00 C ATOM 139 O GLU A 11 0.305 4.805 7.883 1.00 0.00 O ATOM 140 CB GLU A 11 0.174 7.992 8.792 1.00 0.00 C ATOM 141 CG GLU A 11 0.860 8.968 9.737 1.00 0.00 C ATOM 142 CD GLU A 11 -0.117 9.963 10.298 1.00 0.00 C ATOM 143 OE1 GLU A 11 -1.252 9.948 9.889 1.00 0.00 O ATOM 144 OE2 GLU A 11 0.240 10.664 11.216 1.00 0.00 O ATOM 0 H GLU A 11 1.654 8.776 6.979 1.00 0.00 H new ATOM 0 HA GLU A 11 1.817 6.607 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.402 8.558 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.536 7.393 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.331 8.418 10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.654 9.494 9.207 1.00 0.00 H new ATOM 151 N ALA A 12 -0.279 6.241 6.252 1.00 0.00 N ATOM 152 CA ALA A 12 -1.013 5.244 5.482 1.00 0.00 C ATOM 153 C ALA A 12 -0.078 4.174 4.934 1.00 0.00 C ATOM 154 O ALA A 12 -0.391 2.983 4.973 1.00 0.00 O ATOM 155 CB ALA A 12 -1.785 5.910 4.352 1.00 0.00 C ATOM 0 H ALA A 12 -0.291 7.177 5.848 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.723 4.757 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.328 5.153 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.492 6.628 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.089 6.427 3.691 1.00 0.00 H new ATOM 161 N LYS A 13 1.070 4.604 4.421 1.00 0.00 N ATOM 162 CA LYS A 13 2.041 3.686 3.839 1.00 0.00 C ATOM 163 C LYS A 13 2.638 2.770 4.901 1.00 0.00 C ATOM 164 O LYS A 13 2.946 1.609 4.631 1.00 0.00 O ATOM 165 CB LYS A 13 3.153 4.461 3.130 1.00 0.00 C ATOM 166 CG LYS A 13 2.718 5.143 1.839 1.00 0.00 C ATOM 167 CD LYS A 13 3.862 5.931 1.217 1.00 0.00 C ATOM 168 CE LYS A 13 3.422 6.633 -0.058 1.00 0.00 C ATOM 169 NZ LYS A 13 4.519 7.442 -0.655 1.00 0.00 N ATOM 0 H LYS A 13 1.351 5.584 4.397 1.00 0.00 H new ATOM 0 HA LYS A 13 1.519 3.068 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.545 5.216 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.972 3.777 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.363 4.394 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.881 5.812 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.230 6.667 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.691 5.259 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.083 5.892 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.571 7.279 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.128 8.071 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.973 8.012 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.223 6.809 -1.085 1.00 0.00 H new ATOM 183 N GLU A 14 2.797 3.298 6.110 1.00 0.00 N ATOM 184 CA GLU A 14 3.351 2.528 7.215 1.00 0.00 C ATOM 185 C GLU A 14 2.496 1.304 7.518 1.00 0.00 C ATOM 186 O GLU A 14 2.999 0.182 7.577 1.00 0.00 O ATOM 187 CB GLU A 14 3.479 3.400 8.466 1.00 0.00 C ATOM 188 CG GLU A 14 4.060 2.683 9.677 1.00 0.00 C ATOM 189 CD GLU A 14 4.137 3.596 10.869 1.00 0.00 C ATOM 190 OE1 GLU A 14 3.769 4.740 10.741 1.00 0.00 O ATOM 191 OE2 GLU A 14 4.455 3.125 11.934 1.00 0.00 O ATOM 0 H GLU A 14 2.549 4.258 6.349 1.00 0.00 H new ATOM 0 HA GLU A 14 4.343 2.187 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.107 4.259 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.494 3.787 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.444 1.817 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.056 2.309 9.438 1.00 0.00 H new ATOM 198 N LYS A 15 1.200 1.526 7.708 1.00 0.00 N ATOM 199 CA LYS A 15 0.281 0.450 8.062 1.00 0.00 C ATOM 200 C LYS A 15 -0.022 -0.433 6.860 1.00 0.00 C ATOM 201 O LYS A 15 -0.200 -1.645 6.996 1.00 0.00 O ATOM 202 CB LYS A 15 -1.016 1.022 8.635 1.00 0.00 C ATOM 203 CG LYS A 15 -0.860 1.704 9.988 1.00 0.00 C ATOM 204 CD LYS A 15 -2.188 2.258 10.486 1.00 0.00 C ATOM 205 CE LYS A 15 -2.023 2.984 11.812 1.00 0.00 C ATOM 206 NZ LYS A 15 -3.306 3.568 12.290 1.00 0.00 N ATOM 0 H LYS A 15 0.761 2.443 7.623 1.00 0.00 H new ATOM 0 HA LYS A 15 0.763 -0.164 8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.427 1.740 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.743 0.216 8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.466 0.992 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.133 2.513 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.600 2.942 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.903 1.444 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.639 2.290 12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.282 3.776 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.150 4.054 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.660 4.249 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.006 2.810 12.420 1.00 0.00 H new ATOM 220 N ALA A 16 -0.080 0.177 5.682 1.00 0.00 N ATOM 221 CA ALA A 16 -0.369 -0.552 4.453 1.00 0.00 C ATOM 222 C ALA A 16 0.751 -1.527 4.114 1.00 0.00 C ATOM 223 O ALA A 16 0.503 -2.699 3.832 1.00 0.00 O ATOM 224 CB ALA A 16 -0.598 0.418 3.302 1.00 0.00 C ATOM 0 H ALA A 16 0.070 1.178 5.552 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.280 -1.130 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.813 -0.142 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.442 1.068 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.296 1.024 3.153 1.00 0.00 H new ATOM 230 N ILE A 17 1.986 -1.035 4.145 1.00 0.00 N ATOM 231 CA ILE A 17 3.148 -1.865 3.852 1.00 0.00 C ATOM 232 C ILE A 17 3.317 -2.965 4.894 1.00 0.00 C ATOM 233 O ILE A 17 3.658 -4.099 4.562 1.00 0.00 O ATOM 234 CB ILE A 17 4.439 -1.028 3.790 1.00 0.00 C ATOM 235 CG1 ILE A 17 4.417 -0.104 2.569 1.00 0.00 C ATOM 236 CG2 ILE A 17 5.659 -1.934 3.753 1.00 0.00 C ATOM 237 CD1 ILE A 17 5.500 0.951 2.583 1.00 0.00 C ATOM 0 H ILE A 17 2.207 -0.065 4.370 1.00 0.00 H new ATOM 0 HA ILE A 17 2.972 -2.317 2.876 1.00 0.00 H new ATOM 0 HB ILE A 17 4.497 -0.412 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.521 -0.707 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.445 0.387 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.563 -1.326 3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.681 -2.552 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.610 -2.575 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.420 1.566 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.384 1.579 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.477 0.469 2.606 1.00 0.00 H new ATOM 249 N LYS A 18 3.076 -2.620 6.154 1.00 0.00 N ATOM 250 CA LYS A 18 3.068 -3.605 7.229 1.00 0.00 C ATOM 251 C LYS A 18 2.126 -4.759 6.911 1.00 0.00 C ATOM 252 O LYS A 18 2.498 -5.926 7.028 1.00 0.00 O ATOM 253 CB LYS A 18 2.671 -2.950 8.553 1.00 0.00 C ATOM 254 CG LYS A 18 2.651 -3.899 9.744 1.00 0.00 C ATOM 255 CD LYS A 18 2.297 -3.167 11.029 1.00 0.00 C ATOM 256 CE LYS A 18 2.223 -4.123 12.210 1.00 0.00 C ATOM 257 NZ LYS A 18 1.875 -3.421 13.475 1.00 0.00 N ATOM 0 H LYS A 18 2.883 -1.665 6.456 1.00 0.00 H new ATOM 0 HA LYS A 18 4.077 -4.006 7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.365 -2.136 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.682 -2.505 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.928 -4.695 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.627 -4.373 9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.043 -2.397 11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.340 -2.660 10.909 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.479 -4.893 12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.182 -4.628 12.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.835 -4.109 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.598 -2.703 13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.948 -2.960 13.373 1.00 0.00 H new ATOM 271 N ASP A 19 0.904 -4.425 6.511 1.00 0.00 N ATOM 272 CA ASP A 19 -0.088 -5.434 6.158 1.00 0.00 C ATOM 273 C ASP A 19 0.352 -6.240 4.943 1.00 0.00 C ATOM 274 O ASP A 19 0.188 -7.459 4.902 1.00 0.00 O ATOM 275 CB ASP A 19 -1.446 -4.780 5.890 1.00 0.00 C ATOM 276 CG ASP A 19 -2.172 -4.303 7.141 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.738 -4.635 8.219 1.00 0.00 O ATOM 278 OD2 ASP A 19 -3.056 -3.490 7.018 1.00 0.00 O ATOM 0 H ASP A 19 0.576 -3.463 6.423 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.183 -6.116 7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.301 -3.931 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.082 -5.493 5.365 1.00 0.00 H new ATOM 283 N LEU A 20 0.914 -5.551 3.955 1.00 0.00 N ATOM 284 CA LEU A 20 1.378 -6.201 2.735 1.00 0.00 C ATOM 285 C LEU A 20 2.457 -7.232 3.037 1.00 0.00 C ATOM 286 O LEU A 20 2.471 -8.319 2.459 1.00 0.00 O ATOM 287 CB LEU A 20 1.900 -5.156 1.742 1.00 0.00 C ATOM 288 CG LEU A 20 0.827 -4.251 1.122 1.00 0.00 C ATOM 289 CD1 LEU A 20 1.485 -3.129 0.331 1.00 0.00 C ATOM 290 CD2 LEU A 20 -0.081 -5.081 0.227 1.00 0.00 C ATOM 0 H LEU A 20 1.059 -4.542 3.976 1.00 0.00 H new ATOM 0 HA LEU A 20 0.532 -6.722 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.632 -4.529 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.426 -5.672 0.939 1.00 0.00 H new ATOM 0 HG LEU A 20 0.226 -3.803 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.716 -2.492 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.114 -2.536 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.097 -3.555 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.843 -4.439 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.510 -5.539 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.561 -5.861 0.819 1.00 0.00 H new ATOM 302 N LYS A 21 3.363 -6.884 3.945 1.00 0.00 N ATOM 303 CA LYS A 21 4.401 -7.808 4.385 1.00 0.00 C ATOM 304 C LYS A 21 3.802 -8.996 5.129 1.00 0.00 C ATOM 305 O LYS A 21 4.281 -10.123 5.005 1.00 0.00 O ATOM 306 CB LYS A 21 5.417 -7.090 5.274 1.00 0.00 C ATOM 307 CG LYS A 21 6.344 -6.139 4.528 1.00 0.00 C ATOM 308 CD LYS A 21 7.350 -5.494 5.469 1.00 0.00 C ATOM 309 CE LYS A 21 8.311 -4.586 4.716 1.00 0.00 C ATOM 310 NZ LYS A 21 9.282 -3.924 5.629 1.00 0.00 N ATOM 0 H LYS A 21 3.399 -5.967 4.391 1.00 0.00 H new ATOM 0 HA LYS A 21 4.911 -8.183 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.880 -6.529 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.021 -7.836 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.872 -6.683 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.755 -5.365 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.822 -4.918 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.912 -6.269 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.853 -5.169 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.745 -3.827 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.918 -3.315 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.767 -3.347 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.840 -4.647 6.126 1.00 0.00 H new ATOM 324 N ILE A 22 2.754 -8.735 5.902 1.00 0.00 N ATOM 325 CA ILE A 22 2.002 -9.799 6.558 1.00 0.00 C ATOM 326 C ILE A 22 1.313 -10.696 5.538 1.00 0.00 C ATOM 327 O ILE A 22 1.149 -11.895 5.762 1.00 0.00 O ATOM 328 CB ILE A 22 0.948 -9.232 7.525 1.00 0.00 C ATOM 329 CG1 ILE A 22 1.627 -8.573 8.729 1.00 0.00 C ATOM 330 CG2 ILE A 22 -0.002 -10.330 7.980 1.00 0.00 C ATOM 331 CD1 ILE A 22 0.693 -7.739 9.576 1.00 0.00 C ATOM 0 H ILE A 22 2.405 -7.795 6.090 1.00 0.00 H new ATOM 0 HA ILE A 22 2.722 -10.388 7.126 1.00 0.00 H new ATOM 0 HB ILE A 22 0.368 -8.473 7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.073 -9.348 9.352 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.442 -7.942 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.741 -9.912 8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.509 -10.755 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.562 -11.111 8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.247 -7.305 10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.266 -6.941 8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.108 -8.369 9.962 1.00 0.00 H new ATOM 343 N TYR A 23 0.911 -10.109 4.416 1.00 0.00 N ATOM 344 CA TYR A 23 0.195 -10.843 3.381 1.00 0.00 C ATOM 345 C TYR A 23 1.148 -11.692 2.548 1.00 0.00 C ATOM 346 O TYR A 23 0.719 -12.556 1.784 1.00 0.00 O ATOM 347 CB TYR A 23 -0.575 -9.879 2.476 1.00 0.00 C ATOM 348 CG TYR A 23 -1.653 -9.095 3.191 1.00 0.00 C ATOM 349 CD1 TYR A 23 -2.230 -9.578 4.357 1.00 0.00 C ATOM 350 CD2 TYR A 23 -2.087 -7.873 2.701 1.00 0.00 C ATOM 351 CE1 TYR A 23 -3.215 -8.865 5.014 1.00 0.00 C ATOM 352 CE2 TYR A 23 -3.071 -7.152 3.349 1.00 0.00 C ATOM 353 CZ TYR A 23 -3.633 -7.652 4.507 1.00 0.00 C ATOM 354 OH TYR A 23 -4.612 -6.938 5.158 1.00 0.00 O ATOM 0 H TYR A 23 1.070 -9.125 4.201 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.513 -11.509 3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.129 -9.180 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.030 -10.445 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.904 -10.527 4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.648 -7.478 1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.655 -9.255 5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.399 -6.203 2.952 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.789 -6.106 4.671 1.00 0.00 H new ATOM 364 N GLY A 24 2.443 -11.440 2.702 1.00 0.00 N ATOM 365 CA GLY A 24 3.462 -12.199 1.984 1.00 0.00 C ATOM 366 C GLY A 24 3.856 -11.505 0.688 1.00 0.00 C ATOM 367 O GLY A 24 4.325 -12.145 -0.253 1.00 0.00 O ATOM 0 H GLY A 24 2.813 -10.716 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.342 -12.320 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.087 -13.199 1.765 1.00 0.00 H new ATOM 371 N ILE A 25 3.662 -10.191 0.644 1.00 0.00 N ATOM 372 CA ILE A 25 3.989 -9.408 -0.542 1.00 0.00 C ATOM 373 C ILE A 25 5.483 -9.124 -0.620 1.00 0.00 C ATOM 374 O ILE A 25 6.098 -8.709 0.362 1.00 0.00 O ATOM 375 CB ILE A 25 3.221 -8.073 -0.567 1.00 0.00 C ATOM 376 CG1 ILE A 25 1.711 -8.326 -0.567 1.00 0.00 C ATOM 377 CG2 ILE A 25 3.626 -7.250 -1.780 1.00 0.00 C ATOM 378 CD1 ILE A 25 1.231 -9.157 -1.735 1.00 0.00 C ATOM 0 H ILE A 25 3.280 -9.646 1.417 1.00 0.00 H new ATOM 0 HA ILE A 25 3.690 -10.005 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 25 3.475 -7.509 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.436 -8.828 0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.192 -7.368 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.074 -6.310 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.695 -7.043 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.399 -7.806 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.152 -9.293 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.473 -8.648 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.722 -10.130 -1.715 1.00 0.00 H new ATOM 390 N GLY A 26 6.063 -9.351 -1.794 1.00 0.00 N ATOM 391 CA GLY A 26 7.497 -9.169 -1.989 1.00 0.00 C ATOM 392 C GLY A 26 7.853 -7.693 -2.109 1.00 0.00 C ATOM 393 O GLY A 26 6.985 -6.852 -2.342 1.00 0.00 O ATOM 0 H GLY A 26 5.561 -9.662 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.039 -9.610 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.814 -9.697 -2.888 1.00 0.00 H new ATOM 397 N GLU A 27 9.135 -7.384 -1.948 1.00 0.00 N ATOM 398 CA GLU A 27 9.595 -6.000 -1.940 1.00 0.00 C ATOM 399 C GLU A 27 9.277 -5.306 -3.259 1.00 0.00 C ATOM 400 O GLU A 27 8.935 -4.124 -3.282 1.00 0.00 O ATOM 401 CB GLU A 27 11.098 -5.937 -1.662 1.00 0.00 C ATOM 402 CG GLU A 27 11.652 -4.527 -1.521 1.00 0.00 C ATOM 403 CD GLU A 27 13.120 -4.546 -1.195 1.00 0.00 C ATOM 404 OE1 GLU A 27 13.667 -5.616 -1.068 1.00 0.00 O ATOM 405 OE2 GLU A 27 13.719 -3.498 -1.182 1.00 0.00 O ATOM 0 H GLU A 27 9.875 -8.074 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 27 9.065 -5.477 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.310 -6.491 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.626 -6.443 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.490 -3.976 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.110 -3.998 -0.737 1.00 0.00 H new ATOM 412 N HIS A 28 9.391 -6.049 -4.355 1.00 0.00 N ATOM 413 CA HIS A 28 9.123 -5.503 -5.680 1.00 0.00 C ATOM 414 C HIS A 28 7.771 -4.804 -5.726 1.00 0.00 C ATOM 415 O HIS A 28 7.645 -3.712 -6.281 1.00 0.00 O ATOM 416 CB HIS A 28 9.178 -6.607 -6.741 1.00 0.00 C ATOM 417 CG HIS A 28 8.844 -6.133 -8.121 1.00 0.00 C ATOM 418 ND1 HIS A 28 9.733 -5.419 -8.897 1.00 0.00 N ATOM 419 CD2 HIS A 28 7.720 -6.269 -8.863 1.00 0.00 C ATOM 420 CE1 HIS A 28 9.170 -5.137 -10.058 1.00 0.00 C ATOM 421 NE2 HIS A 28 7.949 -5.641 -10.063 1.00 0.00 N ATOM 0 H HIS A 28 9.667 -7.031 -4.352 1.00 0.00 H new ATOM 0 HA HIS A 28 9.897 -4.766 -5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.177 -7.042 -6.748 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.486 -7.402 -6.462 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.813 -6.776 -8.567 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.630 -4.588 -10.866 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.284 -5.575 -10.833 1.00 0.00 H new ATOM 428 N TYR A 29 6.763 -5.437 -5.138 1.00 0.00 N ATOM 429 CA TYR A 29 5.410 -4.893 -5.139 1.00 0.00 C ATOM 430 C TYR A 29 5.230 -3.864 -4.031 1.00 0.00 C ATOM 431 O TYR A 29 4.431 -2.936 -4.158 1.00 0.00 O ATOM 432 CB TYR A 29 4.381 -6.016 -4.987 1.00 0.00 C ATOM 433 CG TYR A 29 4.181 -6.839 -6.240 1.00 0.00 C ATOM 434 CD1 TYR A 29 4.953 -7.966 -6.482 1.00 0.00 C ATOM 435 CD2 TYR A 29 3.220 -6.487 -7.175 1.00 0.00 C ATOM 436 CE1 TYR A 29 4.774 -8.721 -7.625 1.00 0.00 C ATOM 437 CE2 TYR A 29 3.032 -7.235 -8.322 1.00 0.00 C ATOM 438 CZ TYR A 29 3.812 -8.352 -8.543 1.00 0.00 C ATOM 439 OH TYR A 29 3.628 -9.101 -9.683 1.00 0.00 O ATOM 0 H TYR A 29 6.857 -6.330 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 29 5.251 -4.395 -6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.694 -6.675 -4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.425 -5.582 -4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.706 -8.258 -5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.608 -5.614 -7.004 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.384 -9.595 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.279 -6.947 -9.041 1.00 0.00 H new ATOM 0 HH TYR A 29 2.912 -8.706 -10.222 1.00 0.00 H new ATOM 449 N ILE A 30 5.976 -4.035 -2.945 1.00 0.00 N ATOM 450 CA ILE A 30 5.977 -3.064 -1.857 1.00 0.00 C ATOM 451 C ILE A 30 6.522 -1.719 -2.319 1.00 0.00 C ATOM 452 O ILE A 30 6.132 -0.671 -1.805 1.00 0.00 O ATOM 453 CB ILE A 30 6.808 -3.559 -0.660 1.00 0.00 C ATOM 454 CG1 ILE A 30 6.108 -4.735 0.027 1.00 0.00 C ATOM 455 CG2 ILE A 30 7.047 -2.428 0.327 1.00 0.00 C ATOM 456 CD1 ILE A 30 6.972 -5.456 1.036 1.00 0.00 C ATOM 0 H ILE A 30 6.588 -4.837 -2.795 1.00 0.00 H new ATOM 0 HA ILE A 30 4.940 -2.943 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 30 7.775 -3.902 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.211 -4.370 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.783 -5.446 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.636 -2.796 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.587 -1.621 -0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.090 -2.055 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.407 -6.276 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.857 -5.853 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.276 -4.760 1.818 1.00 0.00 H new ATOM 468 N LYS A 31 7.424 -1.755 -3.294 1.00 0.00 N ATOM 469 CA LYS A 31 7.978 -0.536 -3.870 1.00 0.00 C ATOM 470 C LYS A 31 6.900 0.283 -4.568 1.00 0.00 C ATOM 471 O LYS A 31 6.985 1.509 -4.636 1.00 0.00 O ATOM 472 CB LYS A 31 9.102 -0.871 -4.853 1.00 0.00 C ATOM 473 CG LYS A 31 10.393 -1.340 -4.196 1.00 0.00 C ATOM 474 CD LYS A 31 11.454 -1.672 -5.235 1.00 0.00 C ATOM 475 CE LYS A 31 12.750 -2.124 -4.578 1.00 0.00 C ATOM 476 NZ LYS A 31 13.807 -2.423 -5.582 1.00 0.00 N ATOM 0 H LYS A 31 7.787 -2.616 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 31 8.386 0.062 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.753 -1.647 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.315 0.011 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.766 -0.564 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.193 -2.219 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.086 -2.457 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.645 -0.796 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.103 -1.347 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.561 -3.012 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.673 -2.727 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.481 -3.182 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.006 -1.569 -6.141 1.00 0.00 H new ATOM 490 N LEU A 32 5.886 -0.402 -5.085 1.00 0.00 N ATOM 491 CA LEU A 32 4.798 0.260 -5.797 1.00 0.00 C ATOM 492 C LEU A 32 4.030 1.200 -4.878 1.00 0.00 C ATOM 493 O LEU A 32 3.850 2.377 -5.188 1.00 0.00 O ATOM 494 CB LEU A 32 3.853 -0.783 -6.407 1.00 0.00 C ATOM 495 CG LEU A 32 2.611 -0.210 -7.102 1.00 0.00 C ATOM 496 CD1 LEU A 32 3.029 0.677 -8.267 1.00 0.00 C ATOM 497 CD2 LEU A 32 1.726 -1.351 -7.583 1.00 0.00 C ATOM 0 H LEU A 32 5.794 -1.416 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 32 5.231 0.857 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.412 -1.378 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.528 -1.461 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 32 2.046 0.398 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.141 1.080 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.643 1.498 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.602 0.089 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.844 -0.944 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.282 -1.971 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.418 -1.957 -6.731 1.00 0.00 H new ATOM 509 N ILE A 33 3.577 0.673 -3.745 1.00 0.00 N ATOM 510 CA ILE A 33 2.749 1.439 -2.820 1.00 0.00 C ATOM 511 C ILE A 33 3.542 2.572 -2.182 1.00 0.00 C ATOM 512 O ILE A 33 2.967 3.534 -1.673 1.00 0.00 O ATOM 513 CB ILE A 33 2.165 0.545 -1.712 1.00 0.00 C ATOM 514 CG1 ILE A 33 0.975 1.236 -1.040 1.00 0.00 C ATOM 515 CG2 ILE A 33 3.234 0.202 -0.685 1.00 0.00 C ATOM 516 CD1 ILE A 33 0.159 0.323 -0.154 1.00 0.00 C ATOM 0 H ILE A 33 3.770 -0.283 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 33 1.929 1.858 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 33 1.814 -0.382 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.341 2.072 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.327 1.653 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.803 -0.431 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.051 -0.329 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.614 1.119 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.665 0.884 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.239 -0.500 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.792 -0.075 0.640 1.00 0.00 H new ATOM 528 N GLU A 34 4.865 2.452 -2.211 1.00 0.00 N ATOM 529 CA GLU A 34 5.741 3.490 -1.680 1.00 0.00 C ATOM 530 C GLU A 34 5.754 4.715 -2.585 1.00 0.00 C ATOM 531 O GLU A 34 6.200 5.790 -2.184 1.00 0.00 O ATOM 532 CB GLU A 34 7.162 2.952 -1.501 1.00 0.00 C ATOM 533 CG GLU A 34 7.320 1.963 -0.355 1.00 0.00 C ATOM 534 CD GLU A 34 8.697 1.358 -0.343 1.00 0.00 C ATOM 535 OE1 GLU A 34 9.470 1.671 -1.215 1.00 0.00 O ATOM 536 OE2 GLU A 34 9.013 0.671 0.600 1.00 0.00 O ATOM 0 H GLU A 34 5.355 1.645 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 34 5.352 3.790 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.474 2.469 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.837 3.792 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.134 2.468 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.574 1.174 -0.447 1.00 0.00 H new ATOM 543 N LYS A 35 5.264 4.546 -3.808 1.00 0.00 N ATOM 544 CA LYS A 35 5.298 5.614 -4.801 1.00 0.00 C ATOM 545 C LYS A 35 3.991 6.397 -4.814 1.00 0.00 C ATOM 546 O LYS A 35 3.793 7.279 -5.649 1.00 0.00 O ATOM 547 CB LYS A 35 5.582 5.043 -6.192 1.00 0.00 C ATOM 548 CG LYS A 35 6.951 4.391 -6.336 1.00 0.00 C ATOM 549 CD LYS A 35 7.142 3.809 -7.728 1.00 0.00 C ATOM 550 CE LYS A 35 8.483 3.100 -7.855 1.00 0.00 C ATOM 551 NZ LYS A 35 8.702 2.562 -9.224 1.00 0.00 N ATOM 0 H LYS A 35 4.838 3.679 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 35 6.102 6.297 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.815 4.307 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.496 5.845 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.730 5.127 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.061 3.602 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.336 3.108 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.079 4.606 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.285 3.795 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.532 2.285 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.626 2.087 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.951 1.880 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.682 3.342 -9.911 1.00 0.00 H new ATOM 565 N ALA A 36 3.103 6.070 -3.882 1.00 0.00 N ATOM 566 CA ALA A 36 1.811 6.739 -3.787 1.00 0.00 C ATOM 567 C ALA A 36 1.976 8.205 -3.410 1.00 0.00 C ATOM 568 O ALA A 36 2.955 8.585 -2.768 1.00 0.00 O ATOM 569 CB ALA A 36 0.918 6.026 -2.782 1.00 0.00 C ATOM 0 H ALA A 36 3.254 5.345 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 36 1.337 6.698 -4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.043 6.537 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.762 4.996 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.395 6.034 -1.802 1.00 0.00 H new ATOM 575 N LYS A 37 1.012 9.027 -3.811 1.00 0.00 N ATOM 576 CA LYS A 37 1.049 10.454 -3.518 1.00 0.00 C ATOM 577 C LYS A 37 -0.023 10.838 -2.507 1.00 0.00 C ATOM 578 O LYS A 37 0.148 11.779 -1.732 1.00 0.00 O ATOM 579 CB LYS A 37 0.880 11.269 -4.800 1.00 0.00 C ATOM 580 CG LYS A 37 1.949 11.014 -5.855 1.00 0.00 C ATOM 581 CD LYS A 37 3.317 11.482 -5.380 1.00 0.00 C ATOM 582 CE LYS A 37 4.362 11.343 -6.477 1.00 0.00 C ATOM 583 NZ LYS A 37 5.717 11.741 -6.009 1.00 0.00 N ATOM 0 H LYS A 37 0.194 8.728 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 37 2.023 10.679 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.097 11.048 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.884 12.329 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.987 9.950 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.685 11.533 -6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.257 12.523 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.621 10.900 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.387 10.310 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.077 11.960 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.399 11.631 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.700 12.734 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.001 11.136 -5.212 1.00 0.00 H new ATOM 597 N GLN A 38 -1.131 10.103 -2.520 1.00 0.00 N ATOM 598 CA GLN A 38 -2.224 10.350 -1.588 1.00 0.00 C ATOM 599 C GLN A 38 -2.578 9.091 -0.808 1.00 0.00 C ATOM 600 O GLN A 38 -2.258 7.979 -1.228 1.00 0.00 O ATOM 601 CB GLN A 38 -3.460 10.859 -2.335 1.00 0.00 C ATOM 602 CG GLN A 38 -3.232 12.144 -3.112 1.00 0.00 C ATOM 603 CD GLN A 38 -4.474 12.599 -3.856 1.00 0.00 C ATOM 604 OE1 GLN A 38 -5.476 11.880 -3.918 1.00 0.00 O ATOM 605 NE2 GLN A 38 -4.415 13.796 -4.428 1.00 0.00 N ATOM 0 H GLN A 38 -1.295 9.331 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.892 11.111 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.798 10.086 -3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.264 11.019 -1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.915 12.929 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.420 11.996 -3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.566 14.357 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.218 14.155 -4.944 1.00 0.00 H new ATOM 614 N VAL A 39 -3.240 9.272 0.330 1.00 0.00 N ATOM 615 CA VAL A 39 -3.696 8.148 1.138 1.00 0.00 C ATOM 616 C VAL A 39 -4.647 7.253 0.351 1.00 0.00 C ATOM 617 O VAL A 39 -4.617 6.030 0.486 1.00 0.00 O ATOM 618 CB VAL A 39 -4.400 8.623 2.422 1.00 0.00 C ATOM 619 CG1 VAL A 39 -5.072 7.453 3.127 1.00 0.00 C ATOM 620 CG2 VAL A 39 -3.408 9.304 3.353 1.00 0.00 C ATOM 0 H VAL A 39 -3.473 10.188 0.714 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.808 7.578 1.411 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.167 9.346 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.564 7.808 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.812 7.005 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.322 6.707 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.923 9.633 4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.619 8.601 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.970 10.166 2.850 1.00 0.00 H new ATOM 630 N ALA A 40 -5.489 7.871 -0.470 1.00 0.00 N ATOM 631 CA ALA A 40 -6.355 7.131 -1.378 1.00 0.00 C ATOM 632 C ALA A 40 -5.541 6.283 -2.348 1.00 0.00 C ATOM 633 O ALA A 40 -5.881 5.131 -2.616 1.00 0.00 O ATOM 634 CB ALA A 40 -7.265 8.085 -2.139 1.00 0.00 C ATOM 0 H ALA A 40 -5.590 8.885 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.972 6.459 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.906 7.517 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.883 8.640 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.659 8.783 -2.717 1.00 0.00 H new ATOM 640 N ALA A 41 -4.464 6.860 -2.870 1.00 0.00 N ATOM 641 CA ALA A 41 -3.577 6.146 -3.779 1.00 0.00 C ATOM 642 C ALA A 41 -2.885 4.986 -3.075 1.00 0.00 C ATOM 643 O ALA A 41 -2.648 3.936 -3.674 1.00 0.00 O ATOM 644 CB ALA A 41 -2.549 7.098 -4.373 1.00 0.00 C ATOM 0 H ALA A 41 -4.184 7.822 -2.678 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.182 5.735 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.894 6.550 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.060 7.888 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.956 7.539 -3.572 1.00 0.00 H new ATOM 650 N VAL A 42 -2.565 5.180 -1.801 1.00 0.00 N ATOM 651 CA VAL A 42 -1.976 4.121 -0.988 1.00 0.00 C ATOM 652 C VAL A 42 -2.909 2.921 -0.889 1.00 0.00 C ATOM 653 O VAL A 42 -2.494 1.780 -1.096 1.00 0.00 O ATOM 654 CB VAL A 42 -1.641 4.618 0.430 1.00 0.00 C ATOM 655 CG1 VAL A 42 -1.246 3.450 1.323 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.526 5.651 0.383 1.00 0.00 C ATOM 0 H VAL A 42 -2.703 6.062 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.053 3.820 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.530 5.089 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.012 3.818 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.072 2.741 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.370 2.953 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.302 5.991 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.366 5.204 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.842 6.500 -0.224 1.00 0.00 H new ATOM 666 N GLU A 43 -4.172 3.185 -0.570 1.00 0.00 N ATOM 667 CA GLU A 43 -5.164 2.125 -0.432 1.00 0.00 C ATOM 668 C GLU A 43 -5.473 1.479 -1.777 1.00 0.00 C ATOM 669 O GLU A 43 -5.711 0.274 -1.858 1.00 0.00 O ATOM 670 CB GLU A 43 -6.448 2.672 0.196 1.00 0.00 C ATOM 671 CG GLU A 43 -6.316 3.056 1.663 1.00 0.00 C ATOM 672 CD GLU A 43 -7.601 3.627 2.196 1.00 0.00 C ATOM 673 OE1 GLU A 43 -8.529 3.765 1.435 1.00 0.00 O ATOM 674 OE2 GLU A 43 -7.694 3.822 3.384 1.00 0.00 O ATOM 0 H GLU A 43 -4.533 4.124 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.746 1.361 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.770 3.547 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.234 1.923 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.035 2.179 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.515 3.786 1.779 1.00 0.00 H new ATOM 681 N ASP A 44 -5.467 2.288 -2.830 1.00 0.00 N ATOM 682 CA ASP A 44 -5.709 1.791 -4.179 1.00 0.00 C ATOM 683 C ASP A 44 -4.622 0.815 -4.609 1.00 0.00 C ATOM 684 O ASP A 44 -4.912 -0.264 -5.127 1.00 0.00 O ATOM 685 CB ASP A 44 -5.795 2.953 -5.172 1.00 0.00 C ATOM 686 CG ASP A 44 -7.082 3.762 -5.084 1.00 0.00 C ATOM 687 OD1 ASP A 44 -8.002 3.310 -4.444 1.00 0.00 O ATOM 688 OD2 ASP A 44 -7.083 4.888 -5.520 1.00 0.00 O ATOM 0 H ASP A 44 -5.297 3.292 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.661 1.260 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.949 3.620 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.697 2.559 -6.183 1.00 0.00 H new ATOM 693 N LEU A 45 -3.368 1.199 -4.392 1.00 0.00 N ATOM 694 CA LEU A 45 -2.235 0.351 -4.742 1.00 0.00 C ATOM 695 C LEU A 45 -2.155 -0.865 -3.829 1.00 0.00 C ATOM 696 O LEU A 45 -1.755 -1.949 -4.257 1.00 0.00 O ATOM 697 CB LEU A 45 -0.931 1.155 -4.674 1.00 0.00 C ATOM 698 CG LEU A 45 -0.791 2.263 -5.727 1.00 0.00 C ATOM 699 CD1 LEU A 45 0.481 3.062 -5.478 1.00 0.00 C ATOM 700 CD2 LEU A 45 -0.777 1.645 -7.117 1.00 0.00 C ATOM 0 H LEU A 45 -3.111 2.094 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.380 -0.004 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.851 1.604 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.093 0.467 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.640 2.943 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.572 3.846 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.439 3.513 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.344 2.400 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.678 2.432 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.064 0.957 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.708 1.102 -7.283 1.00 0.00 H new ATOM 712 N LYS A 46 -2.538 -0.681 -2.570 1.00 0.00 N ATOM 713 CA LYS A 46 -2.610 -1.786 -1.622 1.00 0.00 C ATOM 714 C LYS A 46 -3.495 -2.908 -2.148 1.00 0.00 C ATOM 715 O LYS A 46 -3.132 -4.082 -2.081 1.00 0.00 O ATOM 716 CB LYS A 46 -3.129 -1.297 -0.268 1.00 0.00 C ATOM 717 CG LYS A 46 -3.066 -2.337 0.842 1.00 0.00 C ATOM 718 CD LYS A 46 -3.562 -1.767 2.163 1.00 0.00 C ATOM 719 CE LYS A 46 -3.351 -2.749 3.305 1.00 0.00 C ATOM 720 NZ LYS A 46 -3.858 -2.217 4.598 1.00 0.00 N ATOM 0 H LYS A 46 -2.804 0.224 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.602 -2.180 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.551 -0.424 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.162 -0.970 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.670 -3.202 0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.040 -2.688 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.037 -0.837 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.621 -1.524 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.857 -3.687 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.289 -2.975 3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.477 -2.786 5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.555 -1.228 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.897 -2.264 4.609 1.00 0.00 H new ATOM 734 N ASP A 47 -4.660 -2.540 -2.671 1.00 0.00 N ATOM 735 CA ASP A 47 -5.597 -3.514 -3.218 1.00 0.00 C ATOM 736 C ASP A 47 -5.078 -4.104 -4.524 1.00 0.00 C ATOM 737 O ASP A 47 -5.203 -5.305 -4.766 1.00 0.00 O ATOM 738 CB ASP A 47 -6.969 -2.874 -3.439 1.00 0.00 C ATOM 739 CG ASP A 47 -7.723 -2.544 -2.157 1.00 0.00 C ATOM 740 OD1 ASP A 47 -7.306 -2.990 -1.115 1.00 0.00 O ATOM 741 OD2 ASP A 47 -8.609 -1.726 -2.207 1.00 0.00 O ATOM 0 H ASP A 47 -4.978 -1.572 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.697 -4.323 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.841 -1.959 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.578 -3.548 -4.041 1.00 0.00 H new ATOM 746 N GLU A 48 -4.498 -3.253 -5.363 1.00 0.00 N ATOM 747 CA GLU A 48 -4.028 -3.674 -6.677 1.00 0.00 C ATOM 748 C GLU A 48 -2.891 -4.679 -6.560 1.00 0.00 C ATOM 749 O GLU A 48 -2.772 -5.595 -7.375 1.00 0.00 O ATOM 750 CB GLU A 48 -3.578 -2.462 -7.498 1.00 0.00 C ATOM 751 CG GLU A 48 -4.717 -1.601 -8.025 1.00 0.00 C ATOM 752 CD GLU A 48 -5.642 -2.397 -8.901 1.00 0.00 C ATOM 753 OE1 GLU A 48 -5.167 -3.034 -9.810 1.00 0.00 O ATOM 754 OE2 GLU A 48 -6.810 -2.458 -8.598 1.00 0.00 O ATOM 0 H GLU A 48 -4.342 -2.266 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.859 -4.160 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.926 -1.843 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.982 -2.811 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.276 -1.182 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.310 -0.762 -8.589 1.00 0.00 H new ATOM 761 N ILE A 49 -2.055 -4.504 -5.542 1.00 0.00 N ATOM 762 CA ILE A 49 -0.963 -5.433 -5.278 1.00 0.00 C ATOM 763 C ILE A 49 -1.490 -6.829 -4.969 1.00 0.00 C ATOM 764 O ILE A 49 -0.970 -7.825 -5.472 1.00 0.00 O ATOM 765 CB ILE A 49 -0.084 -4.956 -4.109 1.00 0.00 C ATOM 766 CG1 ILE A 49 0.722 -3.719 -4.517 1.00 0.00 C ATOM 767 CG2 ILE A 49 0.842 -6.071 -3.649 1.00 0.00 C ATOM 768 CD1 ILE A 49 1.360 -2.994 -3.354 1.00 0.00 C ATOM 0 H ILE A 49 -2.113 -3.726 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.357 -5.469 -6.183 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.733 -4.685 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.502 -4.020 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.066 -3.029 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.456 -5.716 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.249 -6.924 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.486 -6.373 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.913 -2.130 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.585 -2.661 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.043 -3.667 -2.836 1.00 0.00 H new ATOM 780 N LEU A 50 -2.525 -6.894 -4.138 1.00 0.00 N ATOM 781 CA LEU A 50 -3.158 -8.163 -3.801 1.00 0.00 C ATOM 782 C LEU A 50 -3.855 -8.770 -5.012 1.00 0.00 C ATOM 783 O LEU A 50 -3.865 -9.988 -5.190 1.00 0.00 O ATOM 784 CB LEU A 50 -4.156 -7.970 -2.652 1.00 0.00 C ATOM 785 CG LEU A 50 -3.528 -7.677 -1.284 1.00 0.00 C ATOM 786 CD1 LEU A 50 -4.614 -7.320 -0.277 1.00 0.00 C ATOM 787 CD2 LEU A 50 -2.737 -8.891 -0.817 1.00 0.00 C ATOM 0 H LEU A 50 -2.943 -6.081 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.379 -8.855 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.827 -7.150 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.767 -8.868 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.850 -6.828 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.158 -7.114 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.152 -6.437 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.309 -8.154 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.291 -8.682 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.403 -9.749 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.950 -9.112 -1.538 1.00 0.00 H new ATOM 799 N LYS A 51 -4.437 -7.913 -5.844 1.00 0.00 N ATOM 800 CA LYS A 51 -5.080 -8.356 -7.075 1.00 0.00 C ATOM 801 C LYS A 51 -4.055 -8.868 -8.079 1.00 0.00 C ATOM 802 O LYS A 51 -4.344 -9.758 -8.879 1.00 0.00 O ATOM 803 CB LYS A 51 -5.897 -7.220 -7.691 1.00 0.00 C ATOM 804 CG LYS A 51 -7.149 -6.849 -6.909 1.00 0.00 C ATOM 805 CD LYS A 51 -7.876 -5.677 -7.551 1.00 0.00 C ATOM 806 CE LYS A 51 -9.095 -5.268 -6.737 1.00 0.00 C ATOM 807 NZ LYS A 51 -9.814 -4.117 -7.350 1.00 0.00 N ATOM 0 H LYS A 51 -4.476 -6.906 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.750 -9.178 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.263 -6.338 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.186 -7.504 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.816 -7.709 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.878 -6.594 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.196 -4.830 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.185 -5.947 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.775 -6.116 -6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.784 -5.005 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.637 -3.870 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.174 -3.299 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.134 -4.376 -8.305 1.00 0.00 H new ATOM 821 N ALA A 52 -2.854 -8.301 -8.031 1.00 0.00 N ATOM 822 CA ALA A 52 -1.777 -8.712 -8.925 1.00 0.00 C ATOM 823 C ALA A 52 -1.356 -10.152 -8.654 1.00 0.00 C ATOM 824 O ALA A 52 -0.890 -10.851 -9.553 1.00 0.00 O ATOM 825 CB ALA A 52 -0.587 -7.774 -8.787 1.00 0.00 C ATOM 0 H ALA A 52 -2.602 -7.555 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.149 -8.658 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.208 -8.094 -9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.892 -6.759 -9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.223 -7.796 -7.760 1.00 0.00 H new ATOM 831 N HIS A 53 -1.523 -10.587 -7.410 1.00 0.00 N ATOM 832 CA HIS A 53 -1.168 -11.946 -7.021 1.00 0.00 C ATOM 833 C HIS A 53 -2.379 -12.869 -7.077 1.00 0.00 C ATOM 834 O HIS A 53 -2.282 -14.055 -6.763 1.00 0.00 O ATOM 835 CB HIS A 53 -0.560 -11.965 -5.615 1.00 0.00 C ATOM 836 CG HIS A 53 0.743 -11.235 -5.513 1.00 0.00 C ATOM 837 ND1 HIS A 53 0.822 -9.892 -5.211 1.00 0.00 N ATOM 838 CD2 HIS A 53 2.018 -11.661 -5.672 1.00 0.00 C ATOM 839 CE1 HIS A 53 2.090 -9.523 -5.190 1.00 0.00 C ATOM 840 NE2 HIS A 53 2.836 -10.577 -5.467 1.00 0.00 N ATOM 0 H HIS A 53 -1.902 -10.017 -6.654 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.426 -12.310 -7.732 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.270 -11.523 -4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.412 -13.000 -5.307 1.00 0.00 H new ATOM 0 HD1 HIS A 53 0.026 -9.280 -5.032 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.333 -12.665 -5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.455 -8.528 -4.982 1.00 0.00 H new ATOM 847 N ASP A 54 -3.519 -12.317 -7.479 1.00 0.00 N ATOM 848 CA ASP A 54 -4.770 -13.065 -7.488 1.00 0.00 C ATOM 849 C ASP A 54 -5.096 -13.610 -6.103 1.00 0.00 C ATOM 850 O ASP A 54 -5.563 -14.741 -5.965 1.00 0.00 O ATOM 851 CB ASP A 54 -4.705 -14.210 -8.501 1.00 0.00 C ATOM 852 CG ASP A 54 -4.536 -13.762 -9.946 1.00 0.00 C ATOM 853 OD1 ASP A 54 -5.288 -12.921 -10.379 1.00 0.00 O ATOM 854 OD2 ASP A 54 -3.565 -14.143 -10.556 1.00 0.00 O ATOM 0 H ASP A 54 -3.602 -11.353 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.565 -12.379 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.875 -14.866 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.617 -14.802 -8.421 1.00 0.00 H new ATOM 859 N ARG A 55 -4.847 -12.799 -5.080 1.00 0.00 N ATOM 860 CA ARG A 55 -5.119 -13.197 -3.704 1.00 0.00 C ATOM 861 C ARG A 55 -5.835 -12.089 -2.943 1.00 0.00 C ATOM 862 O ARG A 55 -5.752 -12.011 -1.717 1.00 0.00 O ATOM 863 CB ARG A 55 -3.860 -13.647 -2.977 1.00 0.00 C ATOM 864 CG ARG A 55 -3.225 -14.915 -3.525 1.00 0.00 C ATOM 865 CD ARG A 55 -4.037 -16.143 -3.324 1.00 0.00 C ATOM 866 NE ARG A 55 -3.392 -17.370 -3.764 1.00 0.00 N ATOM 867 CZ ARG A 55 -3.421 -17.839 -5.027 1.00 0.00 C ATOM 868 NH1 ARG A 55 -4.088 -17.210 -5.968 1.00 0.00 N ATOM 869 NH2 ARG A 55 -2.777 -18.963 -5.290 1.00 0.00 N ATOM 0 H ARG A 55 -4.457 -11.862 -5.178 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.784 -14.059 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.126 -12.842 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.101 -13.803 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.043 -14.784 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.253 -15.055 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.279 -16.234 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.980 -16.031 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.882 -17.914 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.595 -16.353 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.099 -17.579 -6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.277 -19.450 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.780 -19.343 -6.236 1.00 0.00 H new ATOM 883 N PHE A 56 -6.539 -11.233 -3.676 1.00 0.00 N ATOM 884 CA PHE A 56 -7.319 -10.162 -3.066 1.00 0.00 C ATOM 885 C PHE A 56 -8.593 -10.702 -2.429 1.00 0.00 C ATOM 886 O PHE A 56 -8.550 -11.221 -1.348 1.00 0.00 O ATOM 887 CB PHE A 56 -7.663 -9.093 -4.105 1.00 0.00 C ATOM 888 CG PHE A 56 -8.506 -7.973 -3.566 1.00 0.00 C ATOM 889 CD1 PHE A 56 -7.959 -7.022 -2.717 1.00 0.00 C ATOM 890 CD2 PHE A 56 -9.846 -7.868 -3.905 1.00 0.00 C ATOM 891 CE1 PHE A 56 -8.734 -5.991 -2.220 1.00 0.00 C ATOM 892 CE2 PHE A 56 -10.622 -6.838 -3.411 1.00 0.00 C ATOM 893 CZ PHE A 56 -10.065 -5.898 -2.567 1.00 0.00 C ATOM 894 OXT PHE A 56 -9.640 -10.610 -3.009 1.00 0.00 O ATOM 0 H PHE A 56 -6.586 -11.260 -4.695 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.711 -9.712 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.738 -8.679 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.188 -9.563 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.917 -7.088 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.289 -8.601 -4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.296 -5.257 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.664 -6.768 -3.685 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.670 -5.092 -2.180 1.00 0.00 H new TER 904 PHE A 56