USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.282) USER MOD Set 1.2: A 33 ASN : amide:sc=-0.00656 X(o=-0.0066,f=-0.28) USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= -1.39! USER MOD Set 2.2: A 25 HIS : no HD1:sc= -1.97 K(o=-3.4,f=-7.4!) USER MOD Set 3.1: A 3 TYR OH : rot 21:sc= 0.937 USER MOD Set 3.2: A 10 GLN : amide:sc= -1.41! X(o=-0.47!,f=-0.36) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0627 USER MOD Single : A 9 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 144:sc= -2.56! USER MOD Single : A 32 ASN : amide:sc= -2.39! C(o=-2.4!,f=-0.93!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.01 K(o=-2,f=-0.37) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.855 -15.168 15.804 1.00 0.00 N ATOM 2 CA GLU A 1 6.549 -15.566 16.303 1.00 0.00 C ATOM 3 C GLU A 1 5.709 -16.165 15.173 1.00 0.00 C ATOM 4 O GLU A 1 5.712 -17.378 14.970 1.00 0.00 O ATOM 5 CB GLU A 1 5.828 -14.385 16.956 1.00 0.00 C ATOM 6 CG GLU A 1 5.873 -14.490 18.482 1.00 0.00 C ATOM 7 CD GLU A 1 7.035 -13.675 19.053 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.837 -12.455 19.235 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.096 -14.291 19.295 1.00 0.00 O ATOM 0 H1 GLU A 1 8.415 -14.763 16.581 1.00 0.00 H new ATOM 0 H2 GLU A 1 8.348 -15.999 15.419 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.738 -14.457 15.054 1.00 0.00 H new ATOM 0 HA GLU A 1 6.691 -16.330 17.068 1.00 0.00 H new ATOM 0 HB2 GLU A 1 6.291 -13.451 16.638 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.791 -14.357 16.620 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.933 -14.134 18.903 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.978 -15.535 18.775 1.00 0.00 H new ATOM 16 N GLU A 2 5.011 -15.287 14.469 1.00 0.00 N ATOM 17 CA GLU A 2 4.168 -15.714 13.365 1.00 0.00 C ATOM 18 C GLU A 2 3.851 -14.529 12.450 1.00 0.00 C ATOM 19 O GLU A 2 2.813 -14.510 11.791 1.00 0.00 O ATOM 20 CB GLU A 2 2.885 -16.371 13.877 1.00 0.00 C ATOM 21 CG GLU A 2 2.495 -17.566 13.006 1.00 0.00 C ATOM 22 CD GLU A 2 1.672 -17.118 11.796 1.00 0.00 C ATOM 23 OE1 GLU A 2 0.826 -16.219 11.988 1.00 0.00 O ATOM 24 OE2 GLU A 2 1.907 -17.686 10.708 1.00 0.00 O ATOM 0 H GLU A 2 5.012 -14.282 14.641 1.00 0.00 H new ATOM 0 HA GLU A 2 4.712 -16.460 12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.026 -16.698 14.907 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.076 -15.641 13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.393 -18.083 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.920 -18.279 13.597 1.00 0.00 H new ATOM 31 N TYR A 3 4.764 -13.569 12.440 1.00 0.00 N ATOM 32 CA TYR A 3 4.594 -12.384 11.618 1.00 0.00 C ATOM 33 C TYR A 3 3.298 -11.651 11.972 1.00 0.00 C ATOM 34 O TYR A 3 2.310 -12.279 12.348 1.00 0.00 O ATOM 35 CB TYR A 3 4.507 -12.881 10.173 1.00 0.00 C ATOM 36 CG TYR A 3 3.650 -12.000 9.262 1.00 0.00 C ATOM 37 CD1 TYR A 3 4.008 -10.686 9.038 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.519 -12.518 8.665 1.00 0.00 C ATOM 39 CE1 TYR A 3 3.202 -9.856 8.180 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.713 -11.689 7.808 1.00 0.00 C ATOM 41 CZ TYR A 3 2.095 -10.399 7.607 1.00 0.00 C ATOM 42 OH TYR A 3 1.333 -9.615 6.797 1.00 0.00 O ATOM 0 H TYR A 3 5.624 -13.588 12.988 1.00 0.00 H new ATOM 0 HA TYR A 3 5.420 -11.689 11.772 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.514 -12.942 9.760 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.100 -13.892 10.171 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.893 -10.280 9.506 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.238 -13.546 8.841 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.471 -8.826 7.996 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.825 -12.082 7.335 1.00 0.00 H new ATOM 0 HH TYR A 3 1.865 -8.854 6.484 1.00 0.00 H new ATOM 52 N VAL A 4 3.345 -10.334 11.838 1.00 0.00 N ATOM 53 CA VAL A 4 2.187 -9.510 12.140 1.00 0.00 C ATOM 54 C VAL A 4 2.444 -8.081 11.658 1.00 0.00 C ATOM 55 O VAL A 4 3.114 -7.304 12.337 1.00 0.00 O ATOM 56 CB VAL A 4 1.863 -9.588 13.633 1.00 0.00 C ATOM 57 CG1 VAL A 4 1.272 -8.270 14.135 1.00 0.00 C ATOM 58 CG2 VAL A 4 0.923 -10.759 13.929 1.00 0.00 C ATOM 0 H VAL A 4 4.167 -9.817 11.524 1.00 0.00 H new ATOM 0 HA VAL A 4 1.308 -9.879 11.611 1.00 0.00 H new ATOM 0 HB VAL A 4 2.795 -9.763 14.170 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.051 -8.352 15.199 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.989 -7.465 13.975 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.354 -8.052 13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.708 -10.792 14.997 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.007 -10.628 13.376 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.397 -11.692 13.625 1.00 0.00 H new ATOM 68 N GLY A 5 1.899 -7.777 10.489 1.00 0.00 N ATOM 69 CA GLY A 5 2.062 -6.455 9.909 1.00 0.00 C ATOM 70 C GLY A 5 0.935 -5.519 10.353 1.00 0.00 C ATOM 71 O GLY A 5 -0.188 -5.616 9.859 1.00 0.00 O ATOM 0 H GLY A 5 1.344 -8.424 9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.024 -6.039 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.071 -6.529 8.822 1.00 0.00 H new ATOM 75 N LEU A 6 1.274 -4.635 11.279 1.00 0.00 N ATOM 76 CA LEU A 6 0.306 -3.683 11.795 1.00 0.00 C ATOM 77 C LEU A 6 0.758 -2.263 11.449 1.00 0.00 C ATOM 78 O LEU A 6 0.001 -1.492 10.861 1.00 0.00 O ATOM 79 CB LEU A 6 0.078 -3.907 13.291 1.00 0.00 C ATOM 80 CG LEU A 6 1.317 -3.802 14.182 1.00 0.00 C ATOM 81 CD1 LEU A 6 1.499 -2.374 14.701 1.00 0.00 C ATOM 82 CD2 LEU A 6 1.263 -4.823 15.320 1.00 0.00 C ATOM 0 H LEU A 6 2.206 -4.558 11.686 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.664 -3.834 11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.657 -3.182 13.639 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.360 -4.896 13.427 1.00 0.00 H new ATOM 0 HG LEU A 6 2.193 -4.040 13.578 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.387 -2.326 15.332 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.616 -1.693 13.858 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.624 -2.084 15.283 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.156 -4.727 15.938 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.378 -4.641 15.930 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.217 -5.829 14.904 1.00 0.00 H new ATOM 94 N SER A 7 1.991 -1.960 11.828 1.00 0.00 N ATOM 95 CA SER A 7 2.554 -0.646 11.564 1.00 0.00 C ATOM 96 C SER A 7 3.094 -0.585 10.134 1.00 0.00 C ATOM 97 O SER A 7 2.872 -1.501 9.343 1.00 0.00 O ATOM 98 CB SER A 7 3.662 -0.311 12.565 1.00 0.00 C ATOM 99 OG SER A 7 4.270 -1.483 13.100 1.00 0.00 O ATOM 0 H SER A 7 2.616 -2.602 12.316 1.00 0.00 H new ATOM 0 HA SER A 7 1.762 0.095 11.678 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.421 0.300 12.075 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.248 0.286 13.378 1.00 0.00 H new ATOM 0 HG SER A 7 4.973 -1.227 13.733 1.00 0.00 H new ATOM 105 N ALA A 8 3.793 0.502 9.846 1.00 0.00 N ATOM 106 CA ALA A 8 4.367 0.695 8.525 1.00 0.00 C ATOM 107 C ALA A 8 4.903 -0.642 8.007 1.00 0.00 C ATOM 108 O ALA A 8 4.216 -1.345 7.267 1.00 0.00 O ATOM 109 CB ALA A 8 5.452 1.772 8.591 1.00 0.00 C ATOM 0 H ALA A 8 3.975 1.259 10.505 1.00 0.00 H new ATOM 0 HA ALA A 8 3.608 1.041 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.882 1.916 7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.014 2.709 8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.233 1.459 9.284 1.00 0.00 H new ATOM 115 N ASN A 9 6.124 -0.951 8.415 1.00 0.00 N ATOM 116 CA ASN A 9 6.760 -2.191 8.002 1.00 0.00 C ATOM 117 C ASN A 9 6.395 -2.485 6.545 1.00 0.00 C ATOM 118 O ASN A 9 7.068 -2.020 5.627 1.00 0.00 O ATOM 119 CB ASN A 9 6.282 -3.367 8.856 1.00 0.00 C ATOM 120 CG ASN A 9 7.093 -3.470 10.149 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.033 -2.617 11.019 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.851 -4.560 10.227 1.00 0.00 N ATOM 0 H ASN A 9 6.691 -0.364 9.028 1.00 0.00 H new ATOM 0 HA ASN A 9 7.837 -2.074 8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.226 -3.243 9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.374 -4.294 8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.429 -4.721 11.052 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.854 -5.235 9.462 1.00 0.00 H new ATOM 129 N GLN A 10 5.330 -3.255 6.380 1.00 0.00 N ATOM 130 CA GLN A 10 4.867 -3.617 5.051 1.00 0.00 C ATOM 131 C GLN A 10 4.769 -2.373 4.166 1.00 0.00 C ATOM 132 O GLN A 10 5.125 -2.414 2.989 1.00 0.00 O ATOM 133 CB GLN A 10 3.525 -4.349 5.118 1.00 0.00 C ATOM 134 CG GLN A 10 3.374 -5.096 6.444 1.00 0.00 C ATOM 135 CD GLN A 10 2.376 -6.249 6.313 1.00 0.00 C ATOM 136 OE1 GLN A 10 2.683 -7.316 5.808 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.167 -5.975 6.795 1.00 0.00 N ATOM 0 H GLN A 10 4.774 -3.638 7.144 1.00 0.00 H new ATOM 0 HA GLN A 10 5.593 -4.298 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.710 -3.634 5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.449 -5.053 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.343 -5.483 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.038 -4.406 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.977 -5.061 7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.430 -6.679 6.755 1.00 0.00 H new ATOM 146 N CYS A 11 4.285 -1.295 4.766 1.00 0.00 N ATOM 147 CA CYS A 11 4.137 -0.041 4.047 1.00 0.00 C ATOM 148 C CYS A 11 5.193 0.938 4.565 1.00 0.00 C ATOM 149 O CYS A 11 4.889 2.100 4.831 1.00 0.00 O ATOM 150 CB CYS A 11 2.721 0.523 4.181 1.00 0.00 C ATOM 151 SG CYS A 11 1.424 -0.727 4.501 1.00 0.00 S ATOM 0 H CYS A 11 3.990 -1.264 5.742 1.00 0.00 H new ATOM 0 HA CYS A 11 4.292 -0.209 2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.711 1.252 4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.471 1.060 3.266 1.00 0.00 H new ATOM 156 N ALA A 12 6.410 0.432 4.692 1.00 0.00 N ATOM 157 CA ALA A 12 7.513 1.247 5.174 1.00 0.00 C ATOM 158 C ALA A 12 8.535 1.429 4.050 1.00 0.00 C ATOM 159 O ALA A 12 9.734 1.257 4.263 1.00 0.00 O ATOM 160 CB ALA A 12 8.123 0.598 6.418 1.00 0.00 C ATOM 0 H ALA A 12 6.657 -0.532 4.470 1.00 0.00 H new ATOM 0 HA ALA A 12 7.161 2.237 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.950 1.209 6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.364 0.518 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.490 -0.397 6.166 1.00 0.00 H new ATOM 166 N VAL A 13 8.023 1.776 2.878 1.00 0.00 N ATOM 167 CA VAL A 13 8.877 1.984 1.721 1.00 0.00 C ATOM 168 C VAL A 13 9.313 3.450 1.671 1.00 0.00 C ATOM 169 O VAL A 13 8.585 4.333 2.121 1.00 0.00 O ATOM 170 CB VAL A 13 8.155 1.531 0.450 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.123 0.846 -0.516 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.976 0.616 0.786 1.00 0.00 C ATOM 0 H VAL A 13 7.028 1.918 2.705 1.00 0.00 H new ATOM 0 HA VAL A 13 9.780 1.379 1.799 1.00 0.00 H new ATOM 0 HB VAL A 13 7.760 2.418 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.584 0.534 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.914 1.543 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.561 -0.027 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.480 0.308 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.339 -0.265 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.268 1.152 1.418 1.00 0.00 H new ATOM 182 N PRO A 14 10.530 3.668 1.104 1.00 0.00 N ATOM 183 CA PRO A 14 11.072 5.012 0.989 1.00 0.00 C ATOM 184 C PRO A 14 10.374 5.791 -0.127 1.00 0.00 C ATOM 185 O PRO A 14 10.733 6.932 -0.411 1.00 0.00 O ATOM 186 CB PRO A 14 12.558 4.816 0.738 1.00 0.00 C ATOM 187 CG PRO A 14 12.715 3.382 0.260 1.00 0.00 C ATOM 188 CD PRO A 14 11.419 2.646 0.561 1.00 0.00 C ATOM 0 HA PRO A 14 10.909 5.610 1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.924 5.519 -0.010 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.134 4.990 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.929 3.357 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.553 2.901 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.001 2.195 -0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.579 1.839 1.276 1.00 0.00 H new ATOM 196 N ALA A 15 9.388 5.142 -0.731 1.00 0.00 N ATOM 197 CA ALA A 15 8.637 5.760 -1.810 1.00 0.00 C ATOM 198 C ALA A 15 9.353 5.502 -3.137 1.00 0.00 C ATOM 199 O ALA A 15 8.720 5.465 -4.191 1.00 0.00 O ATOM 200 CB ALA A 15 8.462 7.252 -1.522 1.00 0.00 C ATOM 0 H ALA A 15 9.093 4.195 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 15 7.641 5.324 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.898 7.715 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.922 7.381 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.441 7.725 -1.444 1.00 0.00 H new ATOM 206 N LYS A 16 10.663 5.331 -3.042 1.00 0.00 N ATOM 207 CA LYS A 16 11.473 5.078 -4.222 1.00 0.00 C ATOM 208 C LYS A 16 11.512 3.573 -4.495 1.00 0.00 C ATOM 209 O LYS A 16 12.232 3.118 -5.382 1.00 0.00 O ATOM 210 CB LYS A 16 12.857 5.711 -4.068 1.00 0.00 C ATOM 211 CG LYS A 16 13.635 5.058 -2.924 1.00 0.00 C ATOM 212 CD LYS A 16 14.454 3.867 -3.428 1.00 0.00 C ATOM 213 CE LYS A 16 15.949 4.192 -3.431 1.00 0.00 C ATOM 214 NZ LYS A 16 16.749 2.950 -3.335 1.00 0.00 N ATOM 0 H LYS A 16 11.184 5.363 -2.166 1.00 0.00 H new ATOM 0 HA LYS A 16 11.028 5.550 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.415 5.605 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.753 6.779 -3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.298 5.792 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.942 4.726 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.268 2.999 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.134 3.601 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.209 4.729 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.186 4.850 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.761 3.188 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.513 2.452 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.535 2.336 -4.147 1.00 0.00 H new ATOM 228 N ASP A 17 10.728 2.842 -3.716 1.00 0.00 N ATOM 229 CA ASP A 17 10.664 1.398 -3.863 1.00 0.00 C ATOM 230 C ASP A 17 9.199 0.955 -3.873 1.00 0.00 C ATOM 231 O ASP A 17 8.892 -0.194 -3.561 1.00 0.00 O ATOM 232 CB ASP A 17 11.362 0.694 -2.698 1.00 0.00 C ATOM 233 CG ASP A 17 12.534 -0.206 -3.095 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.253 -1.343 -3.531 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.684 0.263 -2.954 1.00 0.00 O ATOM 0 H ASP A 17 10.132 3.223 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 17 11.162 1.132 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.724 1.450 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.627 0.093 -2.163 1.00 0.00 H new ATOM 240 N ARG A 18 8.334 1.891 -4.234 1.00 0.00 N ATOM 241 CA ARG A 18 6.909 1.612 -4.289 1.00 0.00 C ATOM 242 C ARG A 18 6.578 0.779 -5.530 1.00 0.00 C ATOM 243 O ARG A 18 6.729 1.250 -6.656 1.00 0.00 O ATOM 244 CB ARG A 18 6.094 2.906 -4.320 1.00 0.00 C ATOM 245 CG ARG A 18 6.612 3.905 -3.283 1.00 0.00 C ATOM 246 CD ARG A 18 6.028 3.611 -1.900 1.00 0.00 C ATOM 247 NE ARG A 18 5.573 4.867 -1.264 1.00 0.00 N ATOM 248 CZ ARG A 18 5.496 5.054 0.060 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.842 4.067 0.898 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.072 6.229 0.548 1.00 0.00 N ATOM 0 H ARG A 18 8.592 2.844 -4.491 1.00 0.00 H new ATOM 0 HA ARG A 18 6.647 1.053 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.146 3.349 -5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.045 2.684 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.700 3.858 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.348 4.918 -3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.193 2.916 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.779 3.128 -1.274 1.00 0.00 H new ATOM 0 HE ARG A 18 5.301 5.639 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.164 3.173 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.783 4.210 1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.808 6.980 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.013 6.371 1.556 1.00 0.00 H new ATOM 264 N VAL A 19 6.133 -0.444 -5.281 1.00 0.00 N ATOM 265 CA VAL A 19 5.780 -1.346 -6.364 1.00 0.00 C ATOM 266 C VAL A 19 4.543 -0.809 -7.086 1.00 0.00 C ATOM 267 O VAL A 19 4.261 -1.202 -8.217 1.00 0.00 O ATOM 268 CB VAL A 19 5.588 -2.764 -5.822 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.335 -3.756 -6.959 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.787 -3.194 -4.974 1.00 0.00 C ATOM 0 H VAL A 19 6.009 -0.831 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 19 6.586 -1.399 -7.096 1.00 0.00 H new ATOM 0 HB VAL A 19 4.708 -2.761 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.202 -4.756 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.436 -3.465 -7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.187 -3.755 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.625 -4.205 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.690 -3.172 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.901 -2.511 -4.132 1.00 0.00 H new ATOM 280 N ASP A 20 3.837 0.080 -6.403 1.00 0.00 N ATOM 281 CA ASP A 20 2.637 0.675 -6.966 1.00 0.00 C ATOM 282 C ASP A 20 1.698 -0.436 -7.442 1.00 0.00 C ATOM 283 O ASP A 20 1.955 -1.076 -8.461 1.00 0.00 O ATOM 284 CB ASP A 20 2.972 1.559 -8.168 1.00 0.00 C ATOM 285 CG ASP A 20 1.781 1.919 -9.058 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.721 2.246 -8.483 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.957 1.858 -10.294 1.00 0.00 O ATOM 0 H ASP A 20 4.073 0.403 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 20 2.167 1.282 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.428 2.481 -7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.720 1.051 -8.776 1.00 0.00 H new ATOM 292 N CYS A 21 0.630 -0.630 -6.683 1.00 0.00 N ATOM 293 CA CYS A 21 -0.348 -1.652 -7.015 1.00 0.00 C ATOM 294 C CYS A 21 -1.275 -1.096 -8.097 1.00 0.00 C ATOM 295 O CYS A 21 -2.028 -1.844 -8.719 1.00 0.00 O ATOM 296 CB CYS A 21 -1.124 -2.114 -5.780 1.00 0.00 C ATOM 297 SG CYS A 21 -0.813 -1.135 -4.266 1.00 0.00 S ATOM 0 H CYS A 21 0.420 -0.097 -5.839 1.00 0.00 H new ATOM 0 HA CYS A 21 0.162 -2.537 -7.395 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.190 -2.080 -6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.873 -3.156 -5.580 1.00 0.00 H new ATOM 302 N GLY A 22 -1.191 0.213 -8.288 1.00 0.00 N ATOM 303 CA GLY A 22 -2.013 0.878 -9.284 1.00 0.00 C ATOM 304 C GLY A 22 -3.501 0.712 -8.967 1.00 0.00 C ATOM 305 O GLY A 22 -4.094 -0.320 -9.279 1.00 0.00 O ATOM 0 H GLY A 22 -0.566 0.830 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.761 1.938 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.800 0.466 -10.270 1.00 0.00 H new ATOM 309 N TYR A 23 -4.061 1.743 -8.351 1.00 0.00 N ATOM 310 CA TYR A 23 -5.468 1.724 -7.989 1.00 0.00 C ATOM 311 C TYR A 23 -6.016 3.145 -7.845 1.00 0.00 C ATOM 312 O TYR A 23 -5.308 4.044 -7.393 1.00 0.00 O ATOM 313 CB TYR A 23 -5.544 1.021 -6.632 1.00 0.00 C ATOM 314 CG TYR A 23 -6.720 0.051 -6.499 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.992 -0.847 -7.510 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.509 0.076 -5.366 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.100 -1.759 -7.385 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.616 -0.837 -5.241 1.00 0.00 C ATOM 319 CZ TYR A 23 -8.857 -1.709 -6.256 1.00 0.00 C ATOM 320 OH TYR A 23 -9.903 -2.570 -6.138 1.00 0.00 O ATOM 0 H TYR A 23 -3.566 2.597 -8.094 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.055 1.218 -8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.615 0.475 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.617 1.774 -5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.374 -0.866 -8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.296 0.779 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.325 -2.466 -8.170 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.241 -0.829 -4.360 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.704 -3.395 -6.628 1.00 0.00 H new ATOM 330 N PRO A 24 -7.305 3.307 -8.248 1.00 0.00 N ATOM 331 CA PRO A 24 -7.956 4.604 -8.168 1.00 0.00 C ATOM 332 C PRO A 24 -8.328 4.942 -6.723 1.00 0.00 C ATOM 333 O PRO A 24 -7.572 5.615 -6.024 1.00 0.00 O ATOM 334 CB PRO A 24 -9.165 4.494 -9.083 1.00 0.00 C ATOM 335 CG PRO A 24 -9.407 3.006 -9.276 1.00 0.00 C ATOM 336 CD PRO A 24 -8.173 2.265 -8.787 1.00 0.00 C ATOM 0 HA PRO A 24 -7.307 5.421 -8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.036 4.977 -8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.979 4.987 -10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.289 2.688 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.595 2.783 -10.326 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.429 1.529 -8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.687 1.726 -9.600 1.00 0.00 H new ATOM 344 N HIS A 25 -9.495 4.461 -6.318 1.00 0.00 N ATOM 345 CA HIS A 25 -9.977 4.704 -4.969 1.00 0.00 C ATOM 346 C HIS A 25 -8.954 4.184 -3.957 1.00 0.00 C ATOM 347 O HIS A 25 -9.072 3.060 -3.471 1.00 0.00 O ATOM 348 CB HIS A 25 -11.368 4.098 -4.772 1.00 0.00 C ATOM 349 CG HIS A 25 -11.477 2.657 -5.211 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.680 2.072 -5.567 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.523 1.692 -5.348 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.448 0.811 -5.901 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.111 0.577 -5.764 1.00 0.00 N ATOM 0 H HIS A 25 -10.120 3.904 -6.901 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.085 5.776 -4.805 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.638 4.168 -3.718 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -12.094 4.692 -5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.468 1.814 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.188 0.094 -6.225 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.641 -0.309 -5.950 1.00 0.00 H new ATOM 362 N VAL A 26 -7.973 5.027 -3.669 1.00 0.00 N ATOM 363 CA VAL A 26 -6.930 4.666 -2.723 1.00 0.00 C ATOM 364 C VAL A 26 -7.034 5.565 -1.489 1.00 0.00 C ATOM 365 O VAL A 26 -6.876 6.780 -1.587 1.00 0.00 O ATOM 366 CB VAL A 26 -5.561 4.739 -3.402 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.458 3.720 -4.539 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.273 6.154 -3.906 1.00 0.00 C ATOM 0 H VAL A 26 -7.878 5.958 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.057 3.637 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.805 4.489 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.475 3.793 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.597 2.715 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.228 3.925 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.294 6.178 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.036 6.446 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.283 6.849 -3.066 1.00 0.00 H new ATOM 378 N THR A 27 -7.300 4.931 -0.356 1.00 0.00 N ATOM 379 CA THR A 27 -7.427 5.658 0.895 1.00 0.00 C ATOM 380 C THR A 27 -6.449 5.105 1.935 1.00 0.00 C ATOM 381 O THR A 27 -5.831 4.063 1.718 1.00 0.00 O ATOM 382 CB THR A 27 -8.889 5.585 1.338 1.00 0.00 C ATOM 383 OG1 THR A 27 -9.014 4.288 1.916 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.859 5.560 0.154 1.00 0.00 C ATOM 0 H THR A 27 -7.431 3.922 -0.279 1.00 0.00 H new ATOM 0 HA THR A 27 -7.162 6.708 0.771 1.00 0.00 H new ATOM 0 HB THR A 27 -9.117 6.438 1.977 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.625 4.328 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.883 5.508 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.733 6.466 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.653 4.688 -0.467 1.00 0.00 H new ATOM 392 N PRO A 28 -6.337 5.845 3.070 1.00 0.00 N ATOM 393 CA PRO A 28 -5.446 5.440 4.143 1.00 0.00 C ATOM 394 C PRO A 28 -6.031 4.264 4.927 1.00 0.00 C ATOM 395 O PRO A 28 -5.895 4.198 6.148 1.00 0.00 O ATOM 396 CB PRO A 28 -5.260 6.687 4.992 1.00 0.00 C ATOM 397 CG PRO A 28 -6.413 7.611 4.634 1.00 0.00 C ATOM 398 CD PRO A 28 -7.054 7.084 3.360 1.00 0.00 C ATOM 0 HA PRO A 28 -4.485 5.077 3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.271 6.442 6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.301 7.161 4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.142 7.643 5.443 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.055 8.630 4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.120 6.902 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.957 7.799 2.543 1.00 0.00 H new ATOM 406 N LYS A 29 -6.669 3.364 4.194 1.00 0.00 N ATOM 407 CA LYS A 29 -7.276 2.194 4.805 1.00 0.00 C ATOM 408 C LYS A 29 -7.881 1.309 3.713 1.00 0.00 C ATOM 409 O LYS A 29 -7.626 0.106 3.672 1.00 0.00 O ATOM 410 CB LYS A 29 -8.278 2.611 5.884 1.00 0.00 C ATOM 411 CG LYS A 29 -8.411 1.529 6.956 1.00 0.00 C ATOM 412 CD LYS A 29 -9.713 0.743 6.784 1.00 0.00 C ATOM 413 CE LYS A 29 -9.625 -0.622 7.468 1.00 0.00 C ATOM 414 NZ LYS A 29 -8.884 -1.581 6.617 1.00 0.00 N ATOM 0 H LYS A 29 -6.779 3.421 3.182 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.521 1.598 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.955 3.545 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.251 2.799 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.561 0.849 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.386 1.987 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.543 1.311 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.923 0.609 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.126 -0.521 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.627 -1.002 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.453 -2.314 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.539 -2.025 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.139 -1.078 6.095 1.00 0.00 H new ATOM 428 N GLU A 30 -8.670 1.938 2.856 1.00 0.00 N ATOM 429 CA GLU A 30 -9.314 1.223 1.767 1.00 0.00 C ATOM 430 C GLU A 30 -8.264 0.677 0.797 1.00 0.00 C ATOM 431 O GLU A 30 -8.392 -0.442 0.303 1.00 0.00 O ATOM 432 CB GLU A 30 -10.318 2.120 1.039 1.00 0.00 C ATOM 433 CG GLU A 30 -11.506 1.306 0.524 1.00 0.00 C ATOM 434 CD GLU A 30 -12.699 2.213 0.215 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.198 2.840 1.174 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.086 2.258 -0.973 1.00 0.00 O ATOM 0 H GLU A 30 -8.879 2.936 2.893 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.866 0.382 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.672 2.899 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.826 2.620 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.216 0.761 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.793 0.563 1.268 1.00 0.00 H new ATOM 443 N CYS A 31 -7.248 1.492 0.554 1.00 0.00 N ATOM 444 CA CYS A 31 -6.177 1.105 -0.348 1.00 0.00 C ATOM 445 C CYS A 31 -5.438 -0.085 0.267 1.00 0.00 C ATOM 446 O CYS A 31 -4.965 -0.965 -0.450 1.00 0.00 O ATOM 447 CB CYS A 31 -5.233 2.273 -0.640 1.00 0.00 C ATOM 448 SG CYS A 31 -3.502 1.793 -0.988 1.00 0.00 S ATOM 0 H CYS A 31 -7.144 2.419 0.966 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.597 0.813 -1.311 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.620 2.829 -1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.243 2.951 0.213 1.00 0.00 H new ATOM 453 N ASN A 32 -5.362 -0.074 1.590 1.00 0.00 N ATOM 454 CA ASN A 32 -4.689 -1.142 2.310 1.00 0.00 C ATOM 455 C ASN A 32 -5.713 -2.206 2.710 1.00 0.00 C ATOM 456 O ASN A 32 -5.367 -3.197 3.351 1.00 0.00 O ATOM 457 CB ASN A 32 -4.031 -0.616 3.587 1.00 0.00 C ATOM 458 CG ASN A 32 -3.542 -1.768 4.467 1.00 0.00 C ATOM 459 OD1 ASN A 32 -2.957 -2.733 4.003 1.00 0.00 O ATOM 460 ND2 ASN A 32 -3.814 -1.614 5.760 1.00 0.00 N ATOM 0 H ASN A 32 -5.755 0.658 2.182 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.924 -1.560 1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.192 0.030 3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.743 -0.006 4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.529 -2.329 6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.307 -0.781 6.082 1.00 0.00 H new ATOM 467 N ASN A 33 -6.955 -1.965 2.315 1.00 0.00 N ATOM 468 CA ASN A 33 -8.032 -2.890 2.624 1.00 0.00 C ATOM 469 C ASN A 33 -8.303 -3.776 1.407 1.00 0.00 C ATOM 470 O ASN A 33 -8.594 -4.963 1.551 1.00 0.00 O ATOM 471 CB ASN A 33 -9.323 -2.140 2.960 1.00 0.00 C ATOM 472 CG ASN A 33 -10.424 -3.110 3.393 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.367 -3.724 4.446 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.425 -3.215 2.525 1.00 0.00 N ATOM 0 H ASN A 33 -7.239 -1.142 1.784 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.727 -3.487 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.133 -1.421 3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.655 -1.572 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.208 -3.838 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.410 -2.672 1.662 1.00 0.00 H new ATOM 481 N ARG A 34 -8.197 -3.166 0.236 1.00 0.00 N ATOM 482 CA ARG A 34 -8.426 -3.886 -1.006 1.00 0.00 C ATOM 483 C ARG A 34 -7.372 -4.979 -1.189 1.00 0.00 C ATOM 484 O ARG A 34 -7.596 -5.948 -1.913 1.00 0.00 O ATOM 485 CB ARG A 34 -8.383 -2.939 -2.207 1.00 0.00 C ATOM 486 CG ARG A 34 -9.405 -3.352 -3.268 1.00 0.00 C ATOM 487 CD ARG A 34 -9.373 -4.863 -3.501 1.00 0.00 C ATOM 488 NE ARG A 34 -10.342 -5.233 -4.556 1.00 0.00 N ATOM 489 CZ ARG A 34 -10.365 -6.424 -5.171 1.00 0.00 C ATOM 490 NH1 ARG A 34 -9.473 -7.367 -4.839 1.00 0.00 N ATOM 491 NH2 ARG A 34 -11.281 -6.672 -6.118 1.00 0.00 N ATOM 0 H ARG A 34 -7.956 -2.182 0.120 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.416 -4.338 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.586 -1.920 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.383 -2.941 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.404 -3.050 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.195 -2.832 -4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.370 -5.173 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.612 -5.387 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.036 -4.539 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.776 -7.179 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.491 -8.273 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.960 -5.954 -6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.298 -7.578 -6.586 1.00 0.00 H new ATOM 505 N GLY A 35 -6.244 -4.787 -0.520 1.00 0.00 N ATOM 506 CA GLY A 35 -5.154 -5.745 -0.600 1.00 0.00 C ATOM 507 C GLY A 35 -3.874 -5.077 -1.105 1.00 0.00 C ATOM 508 O GLY A 35 -3.446 -5.320 -2.233 1.00 0.00 O ATOM 0 H GLY A 35 -6.062 -3.982 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.977 -6.183 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.430 -6.561 -1.268 1.00 0.00 H new ATOM 512 N CYS A 36 -3.298 -4.249 -0.246 1.00 0.00 N ATOM 513 CA CYS A 36 -2.074 -3.545 -0.591 1.00 0.00 C ATOM 514 C CYS A 36 -1.739 -2.579 0.547 1.00 0.00 C ATOM 515 O CYS A 36 -2.154 -2.787 1.686 1.00 0.00 O ATOM 516 CB CYS A 36 -2.196 -2.824 -1.935 1.00 0.00 C ATOM 517 SG CYS A 36 -0.759 -3.027 -3.048 1.00 0.00 S ATOM 0 H CYS A 36 -3.656 -4.050 0.688 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.261 -4.261 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.088 -3.187 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.346 -1.761 -1.749 1.00 0.00 H new ATOM 522 N CYS A 37 -0.991 -1.542 0.199 1.00 0.00 N ATOM 523 CA CYS A 37 -0.595 -0.543 1.177 1.00 0.00 C ATOM 524 C CYS A 37 -0.910 0.841 0.605 1.00 0.00 C ATOM 525 O CYS A 37 -0.891 1.033 -0.610 1.00 0.00 O ATOM 526 CB CYS A 37 0.879 -0.680 1.561 1.00 0.00 C ATOM 527 SG CYS A 37 1.218 -1.902 2.881 1.00 0.00 S ATOM 0 H CYS A 37 -0.649 -1.372 -0.747 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.157 -0.690 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.447 -0.958 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.248 0.294 1.883 1.00 0.00 H new ATOM 532 N PHE A 38 -1.192 1.769 1.507 1.00 0.00 N ATOM 533 CA PHE A 38 -1.510 3.129 1.107 1.00 0.00 C ATOM 534 C PHE A 38 -0.456 4.112 1.620 1.00 0.00 C ATOM 535 O PHE A 38 0.458 3.725 2.346 1.00 0.00 O ATOM 536 CB PHE A 38 -2.861 3.476 1.736 1.00 0.00 C ATOM 537 CG PHE A 38 -3.274 4.938 1.556 1.00 0.00 C ATOM 538 CD1 PHE A 38 -2.897 5.869 2.473 1.00 0.00 C ATOM 539 CD2 PHE A 38 -4.019 5.307 0.479 1.00 0.00 C ATOM 540 CE1 PHE A 38 -3.280 7.226 2.306 1.00 0.00 C ATOM 541 CE2 PHE A 38 -4.402 6.664 0.312 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.025 7.595 1.229 1.00 0.00 C ATOM 0 H PHE A 38 -1.207 1.606 2.514 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.537 3.200 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.628 2.836 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.823 3.248 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.306 5.576 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.319 4.568 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.980 7.965 3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.993 6.957 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.317 8.627 1.102 1.00 0.00 H new ATOM 552 N ASP A 39 -0.617 5.365 1.221 1.00 0.00 N ATOM 553 CA ASP A 39 0.309 6.407 1.630 1.00 0.00 C ATOM 554 C ASP A 39 -0.141 7.745 1.041 1.00 0.00 C ATOM 555 O ASP A 39 -0.620 7.799 -0.090 1.00 0.00 O ATOM 556 CB ASP A 39 1.723 6.118 1.121 1.00 0.00 C ATOM 557 CG ASP A 39 2.697 7.294 1.215 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.310 7.438 2.295 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.806 8.022 0.205 1.00 0.00 O ATOM 0 H ASP A 39 -1.376 5.682 0.618 1.00 0.00 H new ATOM 0 HA ASP A 39 0.317 6.441 2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.132 5.281 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.660 5.800 0.080 1.00 0.00 H new ATOM 564 N SER A 40 0.028 8.792 1.835 1.00 0.00 N ATOM 565 CA SER A 40 -0.355 10.126 1.407 1.00 0.00 C ATOM 566 C SER A 40 0.759 11.122 1.736 1.00 0.00 C ATOM 567 O SER A 40 0.533 12.331 1.744 1.00 0.00 O ATOM 568 CB SER A 40 -1.667 10.561 2.064 1.00 0.00 C ATOM 569 OG SER A 40 -1.543 10.673 3.479 1.00 0.00 O ATOM 0 H SER A 40 0.425 8.743 2.773 1.00 0.00 H new ATOM 0 HA SER A 40 -0.510 10.107 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.979 11.520 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.449 9.840 1.824 1.00 0.00 H new ATOM 0 HG SER A 40 -2.400 10.954 3.861 1.00 0.00 H new ATOM 575 N ARG A 41 1.937 10.577 2.000 1.00 0.00 N ATOM 576 CA ARG A 41 3.087 11.402 2.329 1.00 0.00 C ATOM 577 C ARG A 41 3.481 12.267 1.130 1.00 0.00 C ATOM 578 O ARG A 41 3.768 13.453 1.283 1.00 0.00 O ATOM 579 CB ARG A 41 4.282 10.541 2.743 1.00 0.00 C ATOM 580 CG ARG A 41 5.101 11.230 3.836 1.00 0.00 C ATOM 581 CD ARG A 41 6.255 10.339 4.301 1.00 0.00 C ATOM 582 NE ARG A 41 6.488 10.527 5.751 1.00 0.00 N ATOM 583 CZ ARG A 41 7.346 9.796 6.475 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.059 8.824 5.889 1.00 0.00 N ATOM 585 NH2 ARG A 41 7.493 10.038 7.785 1.00 0.00 N ATOM 0 H ARG A 41 2.120 9.574 1.993 1.00 0.00 H new ATOM 0 HA ARG A 41 2.807 12.042 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.931 9.574 3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.914 10.349 1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.495 12.174 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.457 11.468 4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.025 9.294 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.160 10.582 3.744 1.00 0.00 H new ATOM 0 HE ARG A 41 5.962 11.259 6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.948 8.641 4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.712 8.268 6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.952 10.779 8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.146 9.481 8.336 1.00 0.00 H new ATOM 599 N ILE A 42 3.481 11.639 -0.037 1.00 0.00 N ATOM 600 CA ILE A 42 3.835 12.336 -1.262 1.00 0.00 C ATOM 601 C ILE A 42 3.037 11.747 -2.427 1.00 0.00 C ATOM 602 O ILE A 42 2.964 10.529 -2.582 1.00 0.00 O ATOM 603 CB ILE A 42 5.350 12.307 -1.477 1.00 0.00 C ATOM 604 CG1 ILE A 42 5.988 11.137 -0.725 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.983 13.646 -1.096 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.446 9.798 -1.232 1.00 0.00 C ATOM 0 H ILE A 42 3.241 10.655 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 42 3.567 13.390 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 42 5.542 12.150 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.070 11.166 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.788 11.234 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.060 13.599 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.558 14.438 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.783 13.857 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.916 8.983 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.367 9.762 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.669 9.694 -2.294 1.00 0.00 H new ATOM 618 N PRO A 43 2.444 12.663 -3.238 1.00 0.00 N ATOM 619 CA PRO A 43 1.654 12.248 -4.385 1.00 0.00 C ATOM 620 C PRO A 43 2.554 11.769 -5.526 1.00 0.00 C ATOM 621 O PRO A 43 2.221 10.813 -6.225 1.00 0.00 O ATOM 622 CB PRO A 43 0.825 13.467 -4.754 1.00 0.00 C ATOM 623 CG PRO A 43 1.514 14.654 -4.101 1.00 0.00 C ATOM 624 CD PRO A 43 2.509 14.114 -3.086 1.00 0.00 C ATOM 0 HA PRO A 43 1.010 11.397 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.774 13.592 -5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.200 13.365 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.024 15.259 -4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.783 15.299 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.514 14.488 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.246 14.418 -2.073 1.00 0.00 H new ATOM 632 N GLY A 44 3.677 12.456 -5.679 1.00 0.00 N ATOM 633 CA GLY A 44 4.627 12.113 -6.724 1.00 0.00 C ATOM 634 C GLY A 44 4.809 10.597 -6.823 1.00 0.00 C ATOM 635 O GLY A 44 5.097 10.071 -7.897 1.00 0.00 O ATOM 0 H GLY A 44 3.950 13.248 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.279 12.504 -7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.587 12.585 -6.517 1.00 0.00 H new ATOM 639 N VAL A 45 4.634 9.936 -5.688 1.00 0.00 N ATOM 640 CA VAL A 45 4.775 8.491 -5.633 1.00 0.00 C ATOM 641 C VAL A 45 3.388 7.846 -5.648 1.00 0.00 C ATOM 642 O VAL A 45 2.379 8.533 -5.496 1.00 0.00 O ATOM 643 CB VAL A 45 5.607 8.092 -4.412 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.594 9.199 -4.036 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.706 7.735 -3.229 1.00 0.00 C ATOM 0 H VAL A 45 4.396 10.375 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 45 5.312 8.127 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 45 6.183 7.205 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.173 8.890 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.268 9.385 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.046 10.111 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.322 7.455 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.091 8.596 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.062 6.899 -3.502 1.00 0.00 H new ATOM 655 N PRO A 46 3.382 6.500 -5.838 1.00 0.00 N ATOM 656 CA PRO A 46 2.135 5.754 -5.875 1.00 0.00 C ATOM 657 C PRO A 46 1.550 5.594 -4.470 1.00 0.00 C ATOM 658 O PRO A 46 1.818 4.604 -3.791 1.00 0.00 O ATOM 659 CB PRO A 46 2.489 4.427 -6.526 1.00 0.00 C ATOM 660 CG PRO A 46 3.998 4.294 -6.406 1.00 0.00 C ATOM 661 CD PRO A 46 4.557 5.654 -6.021 1.00 0.00 C ATOM 0 HA PRO A 46 1.356 6.265 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.983 3.600 -6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.177 4.409 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.257 3.548 -5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.428 3.958 -7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.148 5.595 -5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.211 6.048 -6.799 1.00 0.00 H new ATOM 669 N TRP A 47 0.763 6.584 -4.075 1.00 0.00 N ATOM 670 CA TRP A 47 0.138 6.565 -2.763 1.00 0.00 C ATOM 671 C TRP A 47 -0.097 5.105 -2.372 1.00 0.00 C ATOM 672 O TRP A 47 0.308 4.674 -1.294 1.00 0.00 O ATOM 673 CB TRP A 47 -1.144 7.400 -2.755 1.00 0.00 C ATOM 674 CG TRP A 47 -0.925 8.875 -2.412 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.175 9.614 -2.614 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.878 9.765 -1.795 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.001 10.910 -2.174 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.287 11.005 -1.660 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.196 9.531 -1.364 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.939 12.108 -1.095 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.834 10.643 -0.802 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.253 11.898 -0.659 1.00 0.00 C ATOM 0 H TRP A 47 0.544 7.404 -4.640 1.00 0.00 H new ATOM 0 HA TRP A 47 0.789 7.024 -2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.616 7.332 -3.735 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.841 6.970 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.083 9.242 -3.065 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.691 11.660 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.678 8.569 -1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.455 13.069 -1.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.849 10.517 -0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.813 12.707 -0.214 1.00 0.00 H new ATOM 693 N CYS A 48 -0.751 4.383 -3.271 1.00 0.00 N ATOM 694 CA CYS A 48 -1.044 2.980 -3.033 1.00 0.00 C ATOM 695 C CYS A 48 0.067 2.142 -3.669 1.00 0.00 C ATOM 696 O CYS A 48 0.308 2.234 -4.871 1.00 0.00 O ATOM 697 CB CYS A 48 -2.426 2.593 -3.565 1.00 0.00 C ATOM 698 SG CYS A 48 -3.177 1.131 -2.759 1.00 0.00 S ATOM 0 H CYS A 48 -1.086 4.743 -4.165 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.073 2.789 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.098 3.443 -3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.347 2.400 -4.635 1.00 0.00 H new ATOM 703 N PHE A 49 0.715 1.344 -2.832 1.00 0.00 N ATOM 704 CA PHE A 49 1.795 0.491 -3.298 1.00 0.00 C ATOM 705 C PHE A 49 1.797 -0.846 -2.553 1.00 0.00 C ATOM 706 O PHE A 49 1.151 -0.984 -1.516 1.00 0.00 O ATOM 707 CB PHE A 49 3.104 1.226 -3.004 1.00 0.00 C ATOM 708 CG PHE A 49 3.187 1.810 -1.592 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.315 0.982 -0.521 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.133 3.156 -1.409 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.392 1.524 0.790 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.210 3.698 -0.099 1.00 0.00 C ATOM 713 CZ PHE A 49 3.338 2.870 0.973 1.00 0.00 C ATOM 0 H PHE A 49 0.513 1.271 -1.835 1.00 0.00 H new ATOM 0 HA PHE A 49 1.674 0.285 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.936 0.537 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.226 2.032 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.358 -0.087 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.032 3.813 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.493 0.867 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.167 4.767 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.397 3.282 1.970 1.00 0.00 H new ATOM 723 N LYS A 50 2.530 -1.797 -3.113 1.00 0.00 N ATOM 724 CA LYS A 50 2.625 -3.118 -2.515 1.00 0.00 C ATOM 725 C LYS A 50 3.440 -3.032 -1.223 1.00 0.00 C ATOM 726 O LYS A 50 4.131 -2.042 -0.986 1.00 0.00 O ATOM 727 CB LYS A 50 3.179 -4.125 -3.525 1.00 0.00 C ATOM 728 CG LYS A 50 2.466 -3.998 -4.873 1.00 0.00 C ATOM 729 CD LYS A 50 2.825 -5.165 -5.795 1.00 0.00 C ATOM 730 CE LYS A 50 1.923 -6.371 -5.531 1.00 0.00 C ATOM 731 NZ LYS A 50 1.811 -7.211 -6.745 1.00 0.00 N ATOM 0 H LYS A 50 3.064 -1.679 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 50 1.635 -3.485 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.248 -3.961 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.057 -5.137 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.388 -3.972 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.743 -3.057 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.727 -4.854 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.867 -5.446 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.327 -6.962 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.934 -6.032 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.195 -8.025 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.405 -6.649 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.755 -7.550 -7.021 1.00 0.00 H new ATOM 745 N PRO A 51 3.329 -4.109 -0.400 1.00 0.00 N ATOM 746 CA PRO A 51 4.048 -4.164 0.862 1.00 0.00 C ATOM 747 C PRO A 51 5.534 -4.447 0.634 1.00 0.00 C ATOM 748 O PRO A 51 5.890 -5.425 -0.020 1.00 0.00 O ATOM 749 CB PRO A 51 3.352 -5.252 1.663 1.00 0.00 C ATOM 750 CG PRO A 51 2.574 -6.080 0.654 1.00 0.00 C ATOM 751 CD PRO A 51 2.520 -5.299 -0.648 1.00 0.00 C ATOM 0 HA PRO A 51 4.027 -3.216 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.076 -5.867 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.686 -4.821 2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.056 -7.046 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.567 -6.281 1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.919 -5.883 -1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.495 -5.034 -0.909 1.00 0.00 H new ATOM 759 N LEU A 52 6.361 -3.573 1.188 1.00 0.00 N ATOM 760 CA LEU A 52 7.801 -3.716 1.054 1.00 0.00 C ATOM 761 C LEU A 52 8.164 -5.202 1.065 1.00 0.00 C ATOM 762 O LEU A 52 7.605 -5.976 1.841 1.00 0.00 O ATOM 763 CB LEU A 52 8.523 -2.899 2.127 1.00 0.00 C ATOM 764 CG LEU A 52 10.031 -3.131 2.246 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.672 -2.101 3.178 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.332 -4.566 2.683 1.00 0.00 C ATOM 0 H LEU A 52 6.062 -2.763 1.731 1.00 0.00 H new ATOM 0 HA LEU A 52 8.137 -3.312 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.353 -1.841 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.065 -3.118 3.092 1.00 0.00 H new ATOM 0 HG LEU A 52 10.477 -2.995 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.744 -2.288 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.503 -1.099 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.227 -2.181 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.410 -4.704 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.872 -4.755 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.928 -5.262 1.948 1.00 0.00 H new ATOM 778 N GLN A 53 9.099 -5.557 0.195 1.00 0.00 N ATOM 779 CA GLN A 53 9.543 -6.937 0.095 1.00 0.00 C ATOM 780 C GLN A 53 10.104 -7.412 1.437 1.00 0.00 C ATOM 781 O GLN A 53 11.315 -7.393 1.650 1.00 0.00 O ATOM 782 CB GLN A 53 10.578 -7.100 -1.020 1.00 0.00 C ATOM 783 CG GLN A 53 9.923 -7.612 -2.305 1.00 0.00 C ATOM 784 CD GLN A 53 8.710 -6.757 -2.680 1.00 0.00 C ATOM 785 OE1 GLN A 53 7.653 -7.254 -3.032 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.921 -5.447 -2.585 1.00 0.00 N ATOM 0 H GLN A 53 9.561 -4.913 -0.447 1.00 0.00 H new ATOM 0 HA GLN A 53 8.684 -7.558 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.065 -6.144 -1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.355 -7.795 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.649 -7.597 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.615 -8.649 -2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.831 -5.097 -2.284 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.173 -4.792 -2.813 1.00 0.00 H new ATOM 795 N GLU A 54 9.195 -7.828 2.307 1.00 0.00 N ATOM 796 CA GLU A 54 9.584 -8.308 3.623 1.00 0.00 C ATOM 797 C GLU A 54 10.616 -9.431 3.495 1.00 0.00 C ATOM 798 O GLU A 54 10.266 -10.567 3.179 1.00 0.00 O ATOM 799 CB GLU A 54 8.363 -8.774 4.419 1.00 0.00 C ATOM 800 CG GLU A 54 7.789 -10.067 3.837 1.00 0.00 C ATOM 801 CD GLU A 54 8.215 -11.279 4.667 1.00 0.00 C ATOM 802 OE1 GLU A 54 8.109 -11.182 5.909 1.00 0.00 O ATOM 803 OE2 GLU A 54 8.637 -12.275 4.042 1.00 0.00 O ATOM 0 H GLU A 54 8.191 -7.843 2.127 1.00 0.00 H new ATOM 0 HA GLU A 54 10.040 -7.482 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.643 -8.933 5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.599 -7.996 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.701 -10.006 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.128 -10.189 2.808 1.00 0.00 H new ATOM 810 N ALA A 55 11.866 -9.073 3.747 1.00 0.00 N ATOM 811 CA ALA A 55 12.951 -10.036 3.664 1.00 0.00 C ATOM 812 C ALA A 55 13.973 -9.743 4.764 1.00 0.00 C ATOM 813 O ALA A 55 14.298 -10.620 5.564 1.00 0.00 O ATOM 814 CB ALA A 55 13.571 -9.988 2.266 1.00 0.00 C ATOM 0 H ALA A 55 12.152 -8.130 4.009 1.00 0.00 H new ATOM 0 HA ALA A 55 12.578 -11.048 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.385 -10.710 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.812 -10.232 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.959 -8.987 2.074 1.00 0.00 H new ATOM 820 N GLU A 56 14.451 -8.507 4.770 1.00 0.00 N ATOM 821 CA GLU A 56 15.429 -8.088 5.760 1.00 0.00 C ATOM 822 C GLU A 56 14.745 -7.824 7.103 1.00 0.00 C ATOM 823 O GLU A 56 14.558 -6.672 7.492 1.00 0.00 O ATOM 824 CB GLU A 56 16.196 -6.853 5.283 1.00 0.00 C ATOM 825 CG GLU A 56 17.440 -7.254 4.487 1.00 0.00 C ATOM 826 CD GLU A 56 18.298 -6.030 4.157 1.00 0.00 C ATOM 827 OE1 GLU A 56 17.844 -5.231 3.310 1.00 0.00 O ATOM 828 OE2 GLU A 56 19.388 -5.922 4.759 1.00 0.00 O ATOM 0 H GLU A 56 14.179 -7.783 4.105 1.00 0.00 H new ATOM 0 HA GLU A 56 16.150 -8.894 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.547 -6.234 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.488 -6.248 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.028 -7.971 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.141 -7.752 3.565 1.00 0.00 H new ATOM 835 N CYS A 57 14.392 -8.910 7.774 1.00 0.00 N ATOM 836 CA CYS A 57 13.733 -8.810 9.066 1.00 0.00 C ATOM 837 C CYS A 57 13.330 -10.218 9.509 1.00 0.00 C ATOM 838 O CYS A 57 13.707 -10.663 10.592 1.00 0.00 O ATOM 839 CB CYS A 57 12.534 -7.862 9.017 1.00 0.00 C ATOM 840 SG CYS A 57 12.485 -6.617 10.358 1.00 0.00 S ATOM 0 H CYS A 57 14.550 -9.864 7.448 1.00 0.00 H new ATOM 0 HA CYS A 57 14.420 -8.383 9.796 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.538 -7.343 8.058 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.619 -8.453 9.056 1.00 0.00 H new ATOM 0 HG CYS A 57 11.432 -5.868 10.217 1.00 0.00 H new ATOM 845 N THR A 58 12.569 -10.879 8.650 1.00 0.00 N ATOM 846 CA THR A 58 12.110 -12.227 8.940 1.00 0.00 C ATOM 847 C THR A 58 11.566 -12.889 7.673 1.00 0.00 C ATOM 848 O THR A 58 11.263 -12.209 6.694 1.00 0.00 O ATOM 849 CB THR A 58 11.084 -12.145 10.071 1.00 0.00 C ATOM 850 OG1 THR A 58 10.807 -13.506 10.389 1.00 0.00 O ATOM 851 CG2 THR A 58 9.737 -11.590 9.601 1.00 0.00 C ATOM 0 H THR A 58 12.258 -10.506 7.753 1.00 0.00 H new ATOM 0 HA THR A 58 12.932 -12.861 9.273 1.00 0.00 H new ATOM 0 HB THR A 58 11.476 -11.517 10.871 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.151 -13.545 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.045 -11.553 10.443 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.877 -10.586 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.329 -12.236 8.824 1.00 0.00 H new ATOM 859 N PHE A 59 11.458 -14.209 7.732 1.00 0.00 N ATOM 860 CA PHE A 59 10.956 -14.970 6.602 1.00 0.00 C ATOM 861 C PHE A 59 9.821 -14.223 5.898 1.00 0.00 C ATOM 862 O PHE A 59 8.919 -14.843 5.337 1.00 0.00 O ATOM 863 CB PHE A 59 10.415 -16.290 7.156 1.00 0.00 C ATOM 864 CG PHE A 59 11.393 -17.460 7.042 1.00 0.00 C ATOM 865 CD1 PHE A 59 12.387 -17.607 7.958 1.00 0.00 C ATOM 866 CD2 PHE A 59 11.268 -18.354 6.025 1.00 0.00 C ATOM 867 CE1 PHE A 59 13.295 -18.694 7.853 1.00 0.00 C ATOM 868 CE2 PHE A 59 12.176 -19.441 5.919 1.00 0.00 C ATOM 869 CZ PHE A 59 13.171 -19.588 6.835 1.00 0.00 C ATOM 0 H PHE A 59 11.710 -14.770 8.546 1.00 0.00 H new ATOM 0 HA PHE A 59 11.754 -15.130 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.151 -16.151 8.204 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.496 -16.545 6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.486 -16.897 8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.478 -18.237 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.084 -18.811 8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 59 12.077 -20.151 5.111 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.862 -20.414 6.754 1.00 0.00 H new TER 879 PHE A 59