USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 351 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 126 GLN : amide:sc= -0.098 K(o=-0.098,f=-0.91) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -0.769 K(o=-0.77,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -8.76! C(o=-8.8!,f=-9.4!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -55:sc= 1.21 USER MOD Single : A 159 THR OG1 : rot -26:sc= -0.863! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -10.862 13.373 -8.835 1.00 0.00 N ATOM 2 CA GLN A 126 -10.047 13.944 -9.940 1.00 0.00 C ATOM 3 C GLN A 126 -9.401 12.842 -10.775 1.00 0.00 C ATOM 4 O GLN A 126 -9.584 12.781 -11.990 1.00 0.00 O ATOM 5 CB GLN A 126 -8.972 14.849 -9.333 1.00 0.00 C ATOM 6 CG GLN A 126 -8.895 16.222 -9.984 1.00 0.00 C ATOM 7 CD GLN A 126 -7.480 16.607 -10.370 1.00 0.00 C ATOM 8 OE1 GLN A 126 -6.513 16.174 -9.743 1.00 0.00 O ATOM 9 NE2 GLN A 126 -7.352 17.426 -11.408 1.00 0.00 N ATOM 0 HA GLN A 126 -10.693 14.520 -10.603 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -9.170 14.971 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -8.003 14.359 -9.422 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -9.526 16.234 -10.873 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -9.296 16.968 -9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -8.181 17.761 -11.899 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.425 17.720 -11.714 1.00 0.00 H new ATOM 20 N ASN A 127 -8.645 11.972 -10.113 1.00 0.00 N ATOM 21 CA ASN A 127 -7.972 10.871 -10.792 1.00 0.00 C ATOM 22 C ASN A 127 -8.158 9.566 -10.030 1.00 0.00 C ATOM 23 O ASN A 127 -8.837 8.651 -10.496 1.00 0.00 O ATOM 24 CB ASN A 127 -6.481 11.176 -10.949 1.00 0.00 C ATOM 25 CG ASN A 127 -5.924 10.676 -12.268 1.00 0.00 C ATOM 26 OD1 ASN A 127 -5.518 9.520 -12.386 1.00 0.00 O ATOM 27 ND2 ASN A 127 -5.902 11.549 -13.270 1.00 0.00 N ATOM 0 H ASN A 127 -8.483 12.008 -9.107 1.00 0.00 H new ATOM 0 HA ASN A 127 -8.419 10.760 -11.780 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -6.323 12.252 -10.876 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.931 10.717 -10.128 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -5.538 11.270 -14.181 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.249 12.498 -13.128 1.00 0.00 H new ATOM 34 N ASN A 128 -7.550 9.490 -8.854 1.00 0.00 N ATOM 35 CA ASN A 128 -7.644 8.299 -8.017 1.00 0.00 C ATOM 36 C ASN A 128 -7.091 8.571 -6.622 1.00 0.00 C ATOM 37 O ASN A 128 -6.047 9.206 -6.470 1.00 0.00 O ATOM 38 CB ASN A 128 -6.888 7.137 -8.662 1.00 0.00 C ATOM 39 CG ASN A 128 -7.273 5.797 -8.066 1.00 0.00 C ATOM 40 OD1 ASN A 128 -8.110 5.079 -8.613 1.00 0.00 O ATOM 41 ND2 ASN A 128 -6.663 5.452 -6.938 1.00 0.00 N ATOM 0 H ASN A 128 -6.985 10.240 -8.456 1.00 0.00 H new ATOM 0 HA ASN A 128 -8.696 8.031 -7.925 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -7.088 7.126 -9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.816 7.292 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -6.882 4.562 -6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -5.975 6.077 -6.518 1.00 0.00 H new ATOM 48 N ASP A 129 -7.798 8.085 -5.607 1.00 0.00 N ATOM 49 CA ASP A 129 -7.377 8.275 -4.223 1.00 0.00 C ATOM 50 C ASP A 129 -7.303 6.940 -3.490 1.00 0.00 C ATOM 51 O ASP A 129 -8.187 6.604 -2.702 1.00 0.00 O ATOM 52 CB ASP A 129 -8.343 9.216 -3.500 1.00 0.00 C ATOM 53 CG ASP A 129 -7.653 10.046 -2.436 1.00 0.00 C ATOM 54 OD1 ASP A 129 -6.779 9.499 -1.730 1.00 0.00 O ATOM 55 OD2 ASP A 129 -7.985 11.243 -2.309 1.00 0.00 O ATOM 0 H ASP A 129 -8.664 7.557 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 129 -6.382 8.721 -4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -8.812 9.879 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.140 8.631 -3.041 1.00 0.00 H new ATOM 60 N ALA A 130 -6.244 6.182 -3.756 1.00 0.00 N ATOM 61 CA ALA A 130 -6.055 4.883 -3.121 1.00 0.00 C ATOM 62 C ALA A 130 -4.854 4.899 -2.181 1.00 0.00 C ATOM 63 O ALA A 130 -4.829 4.183 -1.180 1.00 0.00 O ATOM 64 CB ALA A 130 -5.886 3.801 -4.178 1.00 0.00 C ATOM 0 H ALA A 130 -5.504 6.445 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 130 -6.943 4.663 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.746 2.836 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.776 3.764 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.015 4.027 -4.794 1.00 0.00 H new ATOM 70 N LEU A 131 -3.860 5.718 -2.510 1.00 0.00 N ATOM 71 CA LEU A 131 -2.656 5.824 -1.697 1.00 0.00 C ATOM 72 C LEU A 131 -2.921 6.629 -0.427 1.00 0.00 C ATOM 73 O LEU A 131 -3.842 7.444 -0.379 1.00 0.00 O ATOM 74 CB LEU A 131 -1.531 6.479 -2.502 1.00 0.00 C ATOM 75 CG LEU A 131 -0.741 5.528 -3.402 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.131 6.284 -4.572 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.341 4.816 -2.604 1.00 0.00 C ATOM 0 H LEU A 131 -3.866 6.318 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.354 4.817 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.959 7.268 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.839 6.957 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.427 4.779 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.427 5.591 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.924 6.748 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.541 7.055 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.894 4.143 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 131 1.024 5.552 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.119 4.242 -1.799 1.00 0.00 H new ATOM 89 N SER A 132 -2.107 6.392 0.596 1.00 0.00 N ATOM 90 CA SER A 132 -2.251 7.095 1.867 1.00 0.00 C ATOM 91 C SER A 132 -1.042 7.990 2.132 1.00 0.00 C ATOM 92 O SER A 132 0.029 7.784 1.561 1.00 0.00 O ATOM 93 CB SER A 132 -2.421 6.094 3.011 1.00 0.00 C ATOM 94 OG SER A 132 -3.791 5.834 3.262 1.00 0.00 O ATOM 0 H SER A 132 -1.341 5.719 0.571 1.00 0.00 H new ATOM 0 HA SER A 132 -3.140 7.723 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.911 5.163 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.951 6.485 3.913 1.00 0.00 H new ATOM 0 HG SER A 132 -3.873 5.190 3.996 1.00 0.00 H new ATOM 100 N PRO A 133 -1.198 9.002 3.004 1.00 0.00 N ATOM 101 CA PRO A 133 -0.113 9.930 3.339 1.00 0.00 C ATOM 102 C PRO A 133 1.124 9.209 3.867 1.00 0.00 C ATOM 103 O PRO A 133 2.220 9.363 3.329 1.00 0.00 O ATOM 104 CB PRO A 133 -0.719 10.817 4.432 1.00 0.00 C ATOM 105 CG PRO A 133 -2.193 10.711 4.238 1.00 0.00 C ATOM 106 CD PRO A 133 -2.442 9.321 3.726 1.00 0.00 C ATOM 0 HA PRO A 133 0.229 10.484 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.426 10.476 5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.381 11.849 4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.724 10.883 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.548 11.458 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.627 8.619 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.311 9.283 3.068 1.00 0.00 H new ATOM 114 N ALA A 134 0.941 8.423 4.923 1.00 0.00 N ATOM 115 CA ALA A 134 2.040 7.680 5.523 1.00 0.00 C ATOM 116 C ALA A 134 2.493 6.541 4.616 1.00 0.00 C ATOM 117 O ALA A 134 3.691 6.357 4.376 1.00 0.00 O ATOM 118 CB ALA A 134 1.630 7.143 6.885 1.00 0.00 C ATOM 0 H ALA A 134 0.040 8.285 5.381 1.00 0.00 H new ATOM 0 HA ALA A 134 2.881 8.362 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.461 6.589 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.363 7.974 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.772 6.480 6.772 1.00 0.00 H new ATOM 124 N ILE A 135 1.532 5.774 4.111 1.00 0.00 N ATOM 125 CA ILE A 135 1.848 4.659 3.234 1.00 0.00 C ATOM 126 C ILE A 135 2.657 5.126 2.036 1.00 0.00 C ATOM 127 O ILE A 135 3.643 4.500 1.672 1.00 0.00 O ATOM 128 CB ILE A 135 0.585 3.935 2.730 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.262 3.460 3.913 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.975 2.761 1.837 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.495 2.685 3.502 1.00 0.00 C ATOM 0 H ILE A 135 0.537 5.905 4.294 1.00 0.00 H new ATOM 0 HA ILE A 135 2.434 3.958 3.828 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.012 4.632 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.352 2.834 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.566 4.325 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.075 2.256 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.542 3.127 0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.587 2.060 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.047 2.380 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.130 3.315 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.198 1.800 2.939 1.00 0.00 H new ATOM 143 N ARG A 136 2.242 6.232 1.425 1.00 0.00 N ATOM 144 CA ARG A 136 2.955 6.761 0.267 1.00 0.00 C ATOM 145 C ARG A 136 4.443 6.857 0.572 1.00 0.00 C ATOM 146 O ARG A 136 5.285 6.627 -0.297 1.00 0.00 O ATOM 147 CB ARG A 136 2.403 8.132 -0.130 1.00 0.00 C ATOM 148 CG ARG A 136 1.369 8.071 -1.243 1.00 0.00 C ATOM 149 CD ARG A 136 1.698 9.043 -2.366 1.00 0.00 C ATOM 150 NE ARG A 136 2.403 8.389 -3.467 1.00 0.00 N ATOM 151 CZ ARG A 136 3.118 9.042 -4.380 1.00 0.00 C ATOM 152 NH1 ARG A 136 3.224 10.365 -4.330 1.00 0.00 N ATOM 153 NH2 ARG A 136 3.728 8.372 -5.348 1.00 0.00 N ATOM 0 H ARG A 136 1.425 6.774 1.708 1.00 0.00 H new ATOM 0 HA ARG A 136 2.808 6.080 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.955 8.602 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.229 8.769 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.321 7.057 -1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.384 8.302 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.777 9.490 -2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.311 9.855 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 136 2.343 7.373 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.756 10.886 -3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 136 3.774 10.860 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.649 7.356 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 136 4.276 8.873 -6.048 1.00 0.00 H new ATOM 167 N ARG A 137 4.758 7.163 1.823 1.00 0.00 N ATOM 168 CA ARG A 137 6.142 7.248 2.254 1.00 0.00 C ATOM 169 C ARG A 137 6.724 5.845 2.319 1.00 0.00 C ATOM 170 O ARG A 137 7.861 5.607 1.908 1.00 0.00 O ATOM 171 CB ARG A 137 6.238 7.922 3.623 1.00 0.00 C ATOM 172 CG ARG A 137 7.665 8.219 4.056 1.00 0.00 C ATOM 173 CD ARG A 137 7.708 8.844 5.442 1.00 0.00 C ATOM 174 NE ARG A 137 9.065 9.225 5.827 1.00 0.00 N ATOM 175 CZ ARG A 137 9.343 10.089 6.801 1.00 0.00 C ATOM 176 NH1 ARG A 137 8.365 10.660 7.492 1.00 0.00 N ATOM 177 NH2 ARG A 137 10.605 10.381 7.087 1.00 0.00 N ATOM 0 H ARG A 137 4.074 7.356 2.554 1.00 0.00 H new ATOM 0 HA ARG A 137 6.706 7.849 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.673 8.854 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.767 7.281 4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 137 8.247 7.297 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.132 8.893 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.064 9.723 5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.309 8.139 6.171 1.00 0.00 H new ATOM 0 HE ARG A 137 9.844 8.805 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.393 10.438 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.585 11.321 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 137 11.362 9.944 6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 137 10.819 11.043 7.833 1.00 0.00 H new ATOM 191 N LEU A 138 5.922 4.916 2.832 1.00 0.00 N ATOM 192 CA LEU A 138 6.339 3.524 2.944 1.00 0.00 C ATOM 193 C LEU A 138 6.616 2.927 1.565 1.00 0.00 C ATOM 194 O LEU A 138 7.693 2.386 1.321 1.00 0.00 O ATOM 195 CB LEU A 138 5.267 2.702 3.660 1.00 0.00 C ATOM 196 CG LEU A 138 5.618 1.228 3.859 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.805 1.086 4.799 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.421 0.456 4.391 1.00 0.00 C ATOM 0 H LEU A 138 4.980 5.103 3.176 1.00 0.00 H new ATOM 0 HA LEU A 138 7.259 3.493 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.076 3.150 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.339 2.767 3.092 1.00 0.00 H new ATOM 0 HG LEU A 138 5.891 0.808 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.041 0.030 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.667 1.601 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.558 1.525 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.694 -0.591 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.113 0.876 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.597 0.528 3.681 1.00 0.00 H new ATOM 210 N LEU A 139 5.644 3.040 0.662 1.00 0.00 N ATOM 211 CA LEU A 139 5.794 2.521 -0.691 1.00 0.00 C ATOM 212 C LEU A 139 6.975 3.190 -1.372 1.00 0.00 C ATOM 213 O LEU A 139 7.725 2.555 -2.114 1.00 0.00 O ATOM 214 CB LEU A 139 4.518 2.759 -1.500 1.00 0.00 C ATOM 215 CG LEU A 139 3.372 1.789 -1.207 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.041 2.396 -1.625 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.603 0.464 -1.918 1.00 0.00 C ATOM 0 H LEU A 139 4.745 3.487 0.845 1.00 0.00 H new ATOM 0 HA LEU A 139 5.974 1.447 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.171 3.775 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.762 2.698 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 139 3.342 1.603 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.237 1.693 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.873 3.320 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.059 2.611 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.779 -0.215 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.658 0.633 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.538 0.023 -1.571 1.00 0.00 H new ATOM 229 N ALA A 140 7.137 4.478 -1.099 1.00 0.00 N ATOM 230 CA ALA A 140 8.237 5.243 -1.669 1.00 0.00 C ATOM 231 C ALA A 140 9.572 4.652 -1.232 1.00 0.00 C ATOM 232 O ALA A 140 10.525 4.593 -2.010 1.00 0.00 O ATOM 233 CB ALA A 140 8.138 6.704 -1.255 1.00 0.00 C ATOM 0 H ALA A 140 6.521 5.014 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 140 8.174 5.189 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.967 7.262 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.195 7.120 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.180 6.778 -0.168 1.00 0.00 H new ATOM 239 N GLU A 141 9.625 4.208 0.020 1.00 0.00 N ATOM 240 CA GLU A 141 10.831 3.608 0.570 1.00 0.00 C ATOM 241 C GLU A 141 11.043 2.212 -0.001 1.00 0.00 C ATOM 242 O GLU A 141 12.137 1.870 -0.451 1.00 0.00 O ATOM 243 CB GLU A 141 10.743 3.540 2.097 1.00 0.00 C ATOM 244 CG GLU A 141 10.500 4.891 2.752 1.00 0.00 C ATOM 245 CD GLU A 141 11.544 5.229 3.798 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.647 5.671 3.416 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.257 5.052 5.001 1.00 0.00 O ATOM 0 H GLU A 141 8.843 4.254 0.673 1.00 0.00 H new ATOM 0 HA GLU A 141 11.681 4.232 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.939 2.860 2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.668 3.117 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.495 5.666 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.513 4.894 3.215 1.00 0.00 H new ATOM 254 N HIS A 142 9.983 1.413 0.018 1.00 0.00 N ATOM 255 CA HIS A 142 10.038 0.051 -0.502 1.00 0.00 C ATOM 256 C HIS A 142 10.162 0.052 -2.025 1.00 0.00 C ATOM 257 O HIS A 142 10.507 -0.964 -2.628 1.00 0.00 O ATOM 258 CB HIS A 142 8.789 -0.729 -0.086 1.00 0.00 C ATOM 259 CG HIS A 142 8.752 -1.084 1.368 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.260 -2.265 1.869 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.252 -0.413 2.432 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.072 -2.303 3.177 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.465 -1.191 3.543 1.00 0.00 N ATOM 0 H HIS A 142 9.073 1.685 0.389 1.00 0.00 H new ATOM 0 HA HIS A 142 10.920 -0.433 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.906 -0.138 -0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.731 -1.644 -0.675 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.710 -2.995 1.317 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.774 0.555 2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.366 -3.108 3.834 1.00 0.00 H new ATOM 272 N ASN A 143 9.872 1.197 -2.642 1.00 0.00 N ATOM 273 CA ASN A 143 9.946 1.327 -4.093 1.00 0.00 C ATOM 274 C ASN A 143 8.939 0.403 -4.772 1.00 0.00 C ATOM 275 O ASN A 143 9.301 -0.412 -5.621 1.00 0.00 O ATOM 276 CB ASN A 143 11.362 1.017 -4.586 1.00 0.00 C ATOM 277 CG ASN A 143 12.287 2.214 -4.475 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.342 2.878 -3.441 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.021 2.494 -5.546 1.00 0.00 N ATOM 0 H ASN A 143 9.584 2.047 -2.158 1.00 0.00 H new ATOM 0 HA ASN A 143 9.700 2.356 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.772 0.189 -4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.319 0.690 -5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.662 3.287 -5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.943 1.916 -6.383 1.00 0.00 H new ATOM 286 N LEU A 144 7.672 0.538 -4.390 1.00 0.00 N ATOM 287 CA LEU A 144 6.610 -0.286 -4.961 1.00 0.00 C ATOM 288 C LEU A 144 5.490 0.577 -5.529 1.00 0.00 C ATOM 289 O LEU A 144 5.538 1.805 -5.458 1.00 0.00 O ATOM 290 CB LEU A 144 6.040 -1.234 -3.905 1.00 0.00 C ATOM 291 CG LEU A 144 7.067 -1.816 -2.934 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.372 -2.568 -1.811 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.036 -2.726 -3.671 1.00 0.00 C ATOM 0 H LEU A 144 7.356 1.208 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 144 7.045 -0.870 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.282 -0.700 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.535 -2.057 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 144 7.633 -0.995 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.119 -2.975 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.718 -1.887 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.780 -3.382 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.761 -3.133 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.485 -3.543 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.558 -2.156 -4.440 1.00 0.00 H new ATOM 305 N ASP A 145 4.483 -0.081 -6.090 1.00 0.00 N ATOM 306 CA ASP A 145 3.339 0.613 -6.670 1.00 0.00 C ATOM 307 C ASP A 145 2.038 0.112 -6.056 1.00 0.00 C ATOM 308 O ASP A 145 1.750 -1.085 -6.077 1.00 0.00 O ATOM 309 CB ASP A 145 3.312 0.415 -8.187 1.00 0.00 C ATOM 310 CG ASP A 145 2.455 1.449 -8.890 1.00 0.00 C ATOM 311 OD1 ASP A 145 1.216 1.401 -8.732 1.00 0.00 O ATOM 312 OD2 ASP A 145 3.022 2.308 -9.599 1.00 0.00 O ATOM 0 H ASP A 145 4.435 -1.098 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 145 3.438 1.677 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.329 0.466 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.933 -0.582 -8.414 1.00 0.00 H new ATOM 317 N ALA A 146 1.254 1.034 -5.504 1.00 0.00 N ATOM 318 CA ALA A 146 -0.018 0.685 -4.877 1.00 0.00 C ATOM 319 C ALA A 146 -0.856 -0.216 -5.778 1.00 0.00 C ATOM 320 O ALA A 146 -1.392 -1.232 -5.333 1.00 0.00 O ATOM 321 CB ALA A 146 -0.792 1.947 -4.522 1.00 0.00 C ATOM 0 H ALA A 146 1.477 2.029 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 146 0.199 0.131 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.738 1.674 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.206 2.550 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.986 2.521 -5.428 1.00 0.00 H new ATOM 327 N SER A 147 -0.965 0.162 -7.046 1.00 0.00 N ATOM 328 CA SER A 147 -1.737 -0.611 -8.013 1.00 0.00 C ATOM 329 C SER A 147 -1.208 -2.040 -8.128 1.00 0.00 C ATOM 330 O SER A 147 -1.915 -2.935 -8.589 1.00 0.00 O ATOM 331 CB SER A 147 -1.701 0.068 -9.383 1.00 0.00 C ATOM 332 OG SER A 147 -2.886 -0.195 -10.114 1.00 0.00 O ATOM 0 H SER A 147 -0.528 1.000 -7.430 1.00 0.00 H new ATOM 0 HA SER A 147 -2.767 -0.655 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.580 1.144 -9.256 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.837 -0.286 -9.945 1.00 0.00 H new ATOM 0 HG SER A 147 -2.839 0.251 -10.985 1.00 0.00 H new ATOM 338 N ALA A 148 0.039 -2.248 -7.710 1.00 0.00 N ATOM 339 CA ALA A 148 0.653 -3.569 -7.773 1.00 0.00 C ATOM 340 C ALA A 148 0.414 -4.357 -6.489 1.00 0.00 C ATOM 341 O ALA A 148 0.459 -5.587 -6.490 1.00 0.00 O ATOM 342 CB ALA A 148 2.145 -3.441 -8.044 1.00 0.00 C ATOM 0 H ALA A 148 0.641 -1.520 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 148 0.187 -4.117 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.593 -4.434 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.300 -2.930 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.612 -2.868 -7.243 1.00 0.00 H new ATOM 348 N ILE A 149 0.162 -3.645 -5.394 1.00 0.00 N ATOM 349 CA ILE A 149 -0.079 -4.288 -4.107 1.00 0.00 C ATOM 350 C ILE A 149 -1.561 -4.249 -3.743 1.00 0.00 C ATOM 351 O ILE A 149 -2.351 -3.561 -4.391 1.00 0.00 O ATOM 352 CB ILE A 149 0.748 -3.627 -2.979 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.087 -3.120 -3.529 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.970 -4.614 -1.838 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.042 -2.630 -2.461 1.00 0.00 C ATOM 0 H ILE A 149 0.120 -2.626 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 149 0.236 -5.327 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 149 0.193 -2.774 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.566 -3.923 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.896 -2.309 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.553 -4.135 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.007 -4.928 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.509 -5.485 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.966 -2.288 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.585 -1.805 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.264 -3.444 -1.771 1.00 0.00 H new ATOM 367 N LYS A 150 -1.935 -5.001 -2.710 1.00 0.00 N ATOM 368 CA LYS A 150 -3.325 -5.068 -2.264 1.00 0.00 C ATOM 369 C LYS A 150 -3.924 -3.676 -2.075 1.00 0.00 C ATOM 370 O LYS A 150 -3.236 -2.667 -2.211 1.00 0.00 O ATOM 371 CB LYS A 150 -3.422 -5.862 -0.958 1.00 0.00 C ATOM 372 CG LYS A 150 -4.124 -7.202 -1.114 1.00 0.00 C ATOM 373 CD LYS A 150 -3.218 -8.359 -0.718 1.00 0.00 C ATOM 374 CE LYS A 150 -2.532 -8.968 -1.930 1.00 0.00 C ATOM 375 NZ LYS A 150 -2.176 -10.397 -1.707 1.00 0.00 N ATOM 0 H LYS A 150 -1.292 -5.575 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.898 -5.575 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.418 -6.030 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.955 -5.265 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.023 -7.216 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.444 -7.327 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.466 -8.009 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.804 -9.123 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.188 -8.888 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.630 -8.401 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.710 -10.775 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -1.530 -10.471 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.039 -10.944 -1.513 1.00 0.00 H new ATOM 389 N GLY A 151 -5.216 -3.638 -1.766 1.00 0.00 N ATOM 390 CA GLY A 151 -5.902 -2.376 -1.565 1.00 0.00 C ATOM 391 C GLY A 151 -7.388 -2.567 -1.327 1.00 0.00 C ATOM 392 O GLY A 151 -8.153 -2.755 -2.274 1.00 0.00 O ATOM 0 H GLY A 151 -5.803 -4.464 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.463 -1.856 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.754 -1.740 -2.438 1.00 0.00 H new ATOM 396 N THR A 152 -7.800 -2.529 -0.063 1.00 0.00 N ATOM 397 CA THR A 152 -9.205 -2.708 0.285 1.00 0.00 C ATOM 398 C THR A 152 -9.614 -1.799 1.440 1.00 0.00 C ATOM 399 O THR A 152 -10.463 -2.163 2.255 1.00 0.00 O ATOM 400 CB THR A 152 -9.473 -4.168 0.654 1.00 0.00 C ATOM 401 OG1 THR A 152 -10.810 -4.337 1.090 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.564 -4.684 1.748 1.00 0.00 C ATOM 0 H THR A 152 -7.183 -2.376 0.735 1.00 0.00 H new ATOM 0 HA THR A 152 -9.801 -2.437 -0.586 1.00 0.00 H new ATOM 0 HB THR A 152 -9.280 -4.737 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.993 -3.721 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.807 -5.725 1.962 1.00 0.00 H new ATOM 0 HG22 THR A 152 -7.526 -4.613 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.704 -4.087 2.649 1.00 0.00 H new ATOM 410 N GLY A 153 -9.012 -0.616 1.506 1.00 0.00 N ATOM 411 CA GLY A 153 -9.337 0.322 2.566 1.00 0.00 C ATOM 412 C GLY A 153 -10.719 0.925 2.405 1.00 0.00 C ATOM 413 O GLY A 153 -10.860 2.137 2.247 1.00 0.00 O ATOM 0 H GLY A 153 -8.306 -0.290 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.276 -0.187 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.595 1.121 2.580 1.00 0.00 H new ATOM 417 N VAL A 154 -11.741 0.079 2.447 1.00 0.00 N ATOM 418 CA VAL A 154 -13.118 0.537 2.305 1.00 0.00 C ATOM 419 C VAL A 154 -13.331 1.235 0.963 1.00 0.00 C ATOM 420 O VAL A 154 -13.692 2.412 0.913 1.00 0.00 O ATOM 421 CB VAL A 154 -13.509 1.500 3.442 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.003 1.784 3.413 1.00 0.00 C ATOM 423 CG2 VAL A 154 -13.094 0.930 4.791 1.00 0.00 C ATOM 0 H VAL A 154 -11.643 -0.928 2.578 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.753 -0.348 2.355 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.981 2.442 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.260 2.466 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.268 2.239 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.553 0.851 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.378 1.624 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.592 -0.026 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -12.014 0.784 4.807 1.00 0.00 H new ATOM 433 N GLY A 155 -13.110 0.502 -0.124 1.00 0.00 N ATOM 434 CA GLY A 155 -13.286 1.068 -1.449 1.00 0.00 C ATOM 435 C GLY A 155 -12.008 1.062 -2.266 1.00 0.00 C ATOM 436 O GLY A 155 -11.700 2.036 -2.954 1.00 0.00 O ATOM 0 H GLY A 155 -12.812 -0.473 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.054 0.506 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.648 2.092 -1.356 1.00 0.00 H new ATOM 440 N GLY A 156 -11.264 -0.037 -2.194 1.00 0.00 N ATOM 441 CA GLY A 156 -10.024 -0.142 -2.941 1.00 0.00 C ATOM 442 C GLY A 156 -9.016 0.921 -2.551 1.00 0.00 C ATOM 443 O GLY A 156 -8.915 1.960 -3.205 1.00 0.00 O ATOM 0 H GLY A 156 -11.497 -0.856 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.588 -1.128 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.238 -0.061 -4.007 1.00 0.00 H new ATOM 447 N ARG A 157 -8.270 0.661 -1.482 1.00 0.00 N ATOM 448 CA ARG A 157 -7.262 1.603 -1.002 1.00 0.00 C ATOM 449 C ARG A 157 -6.074 0.863 -0.395 1.00 0.00 C ATOM 450 O ARG A 157 -6.246 -0.096 0.356 1.00 0.00 O ATOM 451 CB ARG A 157 -7.855 2.550 0.048 1.00 0.00 C ATOM 452 CG ARG A 157 -9.308 2.925 -0.192 1.00 0.00 C ATOM 453 CD ARG A 157 -9.433 4.051 -1.206 1.00 0.00 C ATOM 454 NE ARG A 157 -9.064 5.344 -0.634 1.00 0.00 N ATOM 455 CZ ARG A 157 -9.774 5.971 0.301 1.00 0.00 C ATOM 456 NH1 ARG A 157 -10.895 5.432 0.766 1.00 0.00 N ATOM 457 NH2 ARG A 157 -9.364 7.142 0.770 1.00 0.00 N ATOM 0 H ARG A 157 -8.344 -0.194 -0.931 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.923 2.185 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.771 2.083 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.257 3.461 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.856 2.052 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.767 3.229 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.796 3.839 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.458 4.096 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.212 5.792 -0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -11.216 4.533 0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.435 5.917 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.505 7.561 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.908 7.623 1.487 1.00 0.00 H new ATOM 471 N LEU A 158 -4.868 1.323 -0.716 1.00 0.00 N ATOM 472 CA LEU A 158 -3.653 0.710 -0.191 1.00 0.00 C ATOM 473 C LEU A 158 -3.560 0.925 1.317 1.00 0.00 C ATOM 474 O LEU A 158 -3.631 2.057 1.797 1.00 0.00 O ATOM 475 CB LEU A 158 -2.422 1.304 -0.883 1.00 0.00 C ATOM 476 CG LEU A 158 -1.172 0.420 -0.873 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.866 -0.065 0.535 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.341 -0.761 -1.817 1.00 0.00 C ATOM 0 H LEU A 158 -4.707 2.117 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.689 -0.361 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.680 1.527 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.179 2.252 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.331 1.020 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.026 -0.691 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.695 0.792 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.709 -0.644 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.442 -1.376 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.197 -1.358 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.506 -0.396 -2.831 1.00 0.00 H new ATOM 490 N THR A 159 -3.406 -0.165 2.062 1.00 0.00 N ATOM 491 CA THR A 159 -3.310 -0.087 3.516 1.00 0.00 C ATOM 492 C THR A 159 -2.046 -0.775 4.022 1.00 0.00 C ATOM 493 O THR A 159 -1.443 -1.591 3.321 1.00 0.00 O ATOM 494 CB THR A 159 -4.543 -0.722 4.163 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.119 -1.689 3.304 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.620 0.283 4.511 1.00 0.00 C ATOM 0 H THR A 159 -3.345 -1.111 1.684 1.00 0.00 H new ATOM 0 HA THR A 159 -3.261 0.966 3.793 1.00 0.00 H new ATOM 0 HB THR A 159 -4.183 -1.178 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.900 -1.472 2.374 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.466 -0.233 4.966 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.221 1.015 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.950 0.791 3.605 1.00 0.00 H new ATOM 504 N ARG A 160 -1.653 -0.445 5.252 1.00 0.00 N ATOM 505 CA ARG A 160 -0.462 -1.033 5.856 1.00 0.00 C ATOM 506 C ARG A 160 -0.561 -2.553 5.847 1.00 0.00 C ATOM 507 O ARG A 160 0.428 -3.250 5.617 1.00 0.00 O ATOM 508 CB ARG A 160 -0.288 -0.527 7.288 1.00 0.00 C ATOM 509 CG ARG A 160 1.054 -0.890 7.902 1.00 0.00 C ATOM 510 CD ARG A 160 2.031 0.273 7.834 1.00 0.00 C ATOM 511 NE ARG A 160 3.050 0.195 8.878 1.00 0.00 N ATOM 512 CZ ARG A 160 4.072 -0.658 8.855 1.00 0.00 C ATOM 513 NH1 ARG A 160 4.215 -1.506 7.843 1.00 0.00 N ATOM 514 NH2 ARG A 160 4.954 -0.662 9.844 1.00 0.00 N ATOM 0 H ARG A 160 -2.142 0.224 5.847 1.00 0.00 H new ATOM 0 HA ARG A 160 0.407 -0.734 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.401 0.557 7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -1.085 -0.937 7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 160 0.912 -1.186 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.473 -1.750 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.514 0.284 6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.485 1.211 7.930 1.00 0.00 H new ATOM 0 HE ARG A 160 2.974 0.832 9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.540 -1.506 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.000 -2.157 7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.850 -0.012 10.623 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.737 -1.315 9.826 1.00 0.00 H new ATOM 528 N GLU A 161 -1.767 -3.060 6.078 1.00 0.00 N ATOM 529 CA GLU A 161 -2.000 -4.496 6.074 1.00 0.00 C ATOM 530 C GLU A 161 -1.673 -5.067 4.701 1.00 0.00 C ATOM 531 O GLU A 161 -1.132 -6.167 4.582 1.00 0.00 O ATOM 532 CB GLU A 161 -3.453 -4.803 6.439 1.00 0.00 C ATOM 533 CG GLU A 161 -3.844 -4.328 7.830 1.00 0.00 C ATOM 534 CD GLU A 161 -3.231 -5.174 8.928 1.00 0.00 C ATOM 535 OE1 GLU A 161 -2.942 -6.362 8.672 1.00 0.00 O ATOM 536 OE2 GLU A 161 -3.041 -4.648 10.045 1.00 0.00 O ATOM 0 H GLU A 161 -2.596 -2.497 6.270 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.352 -4.959 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.110 -4.335 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.616 -5.879 6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.531 -3.292 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.930 -4.347 7.925 1.00 0.00 H new ATOM 543 N ASP A 162 -1.994 -4.298 3.663 1.00 0.00 N ATOM 544 CA ASP A 162 -1.727 -4.712 2.295 1.00 0.00 C ATOM 545 C ASP A 162 -0.228 -4.837 2.067 1.00 0.00 C ATOM 546 O ASP A 162 0.256 -5.863 1.590 1.00 0.00 O ATOM 547 CB ASP A 162 -2.328 -3.708 1.311 1.00 0.00 C ATOM 548 CG ASP A 162 -3.821 -3.530 1.511 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.453 -4.434 2.099 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.357 -2.489 1.082 1.00 0.00 O ATOM 0 H ASP A 162 -2.440 -3.384 3.747 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.190 -5.685 2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.831 -2.745 1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.138 -4.043 0.291 1.00 0.00 H new ATOM 555 N VAL A 163 0.507 -3.787 2.425 1.00 0.00 N ATOM 556 CA VAL A 163 1.957 -3.789 2.271 1.00 0.00 C ATOM 557 C VAL A 163 2.574 -4.941 3.055 1.00 0.00 C ATOM 558 O VAL A 163 3.608 -5.485 2.669 1.00 0.00 O ATOM 559 CB VAL A 163 2.582 -2.464 2.748 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.076 -2.442 2.462 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.891 -1.280 2.089 1.00 0.00 C ATOM 0 H VAL A 163 0.124 -2.929 2.822 1.00 0.00 H new ATOM 0 HA VAL A 163 2.167 -3.910 1.208 1.00 0.00 H new ATOM 0 HB VAL A 163 2.441 -2.386 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.498 -1.498 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.559 -3.268 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.243 -2.544 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.346 -0.353 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.999 -1.352 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.833 -1.285 2.349 1.00 0.00 H new ATOM 571 N GLU A 164 1.926 -5.312 4.156 1.00 0.00 N ATOM 572 CA GLU A 164 2.404 -6.406 4.990 1.00 0.00 C ATOM 573 C GLU A 164 2.303 -7.730 4.240 1.00 0.00 C ATOM 574 O GLU A 164 3.258 -8.506 4.198 1.00 0.00 O ATOM 575 CB GLU A 164 1.600 -6.478 6.290 1.00 0.00 C ATOM 576 CG GLU A 164 2.046 -5.470 7.338 1.00 0.00 C ATOM 577 CD GLU A 164 1.579 -5.835 8.733 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.248 -6.662 9.386 1.00 0.00 O ATOM 579 OE2 GLU A 164 0.541 -5.293 9.171 1.00 0.00 O ATOM 0 H GLU A 164 1.069 -4.870 4.490 1.00 0.00 H new ATOM 0 HA GLU A 164 3.450 -6.220 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.546 -6.314 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.685 -7.482 6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.134 -5.400 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.661 -4.484 7.076 1.00 0.00 H new ATOM 586 N LYS A 165 1.141 -7.978 3.641 1.00 0.00 N ATOM 587 CA LYS A 165 0.920 -9.205 2.884 1.00 0.00 C ATOM 588 C LYS A 165 1.915 -9.311 1.734 1.00 0.00 C ATOM 589 O LYS A 165 2.478 -10.378 1.481 1.00 0.00 O ATOM 590 CB LYS A 165 -0.510 -9.246 2.341 1.00 0.00 C ATOM 591 CG LYS A 165 -1.578 -9.199 3.423 1.00 0.00 C ATOM 592 CD LYS A 165 -1.377 -10.297 4.454 1.00 0.00 C ATOM 593 CE LYS A 165 -2.485 -10.293 5.494 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.236 -11.283 6.578 1.00 0.00 N ATOM 0 H LYS A 165 0.340 -7.347 3.665 1.00 0.00 H new ATOM 0 HA LYS A 165 1.068 -10.051 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.656 -8.405 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.640 -10.155 1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.555 -8.227 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.563 -9.302 2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -1.348 -11.266 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.414 -10.164 4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.573 -9.296 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.436 -10.516 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.015 -11.248 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -2.178 -12.238 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -1.341 -11.056 7.057 1.00 0.00 H new ATOM 608 N TRP A 166 2.133 -8.196 1.044 1.00 0.00 N ATOM 609 CA TRP A 166 3.063 -8.154 -0.076 1.00 0.00 C ATOM 610 C TRP A 166 4.501 -8.302 0.415 1.00 0.00 C ATOM 611 O TRP A 166 5.290 -9.054 -0.156 1.00 0.00 O ATOM 612 CB TRP A 166 2.897 -6.840 -0.844 1.00 0.00 C ATOM 613 CG TRP A 166 3.893 -6.657 -1.949 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.699 -6.894 -3.280 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.241 -6.195 -1.818 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.848 -6.614 -3.982 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.808 -6.184 -3.106 1.00 0.00 C ATOM 618 CE3 TRP A 166 6.022 -5.792 -0.734 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.121 -5.786 -3.337 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.326 -5.396 -0.965 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.865 -5.396 -2.258 1.00 0.00 C ATOM 0 H TRP A 166 1.675 -7.306 1.243 1.00 0.00 H new ATOM 0 HA TRP A 166 2.842 -8.986 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.892 -6.799 -1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.986 -6.008 -0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.778 -7.249 -3.717 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.966 -6.711 -4.991 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.615 -5.790 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.538 -5.785 -4.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.940 -5.081 -0.134 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.888 -5.082 -2.405 1.00 0.00 H new ATOM 632 N LEU A 167 4.829 -7.578 1.480 1.00 0.00 N ATOM 633 CA LEU A 167 6.169 -7.626 2.055 1.00 0.00 C ATOM 634 C LEU A 167 6.501 -9.032 2.538 1.00 0.00 C ATOM 635 O LEU A 167 7.638 -9.488 2.425 1.00 0.00 O ATOM 636 CB LEU A 167 6.285 -6.635 3.215 1.00 0.00 C ATOM 637 CG LEU A 167 6.661 -5.209 2.813 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.438 -4.247 3.971 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.106 -5.153 2.343 1.00 0.00 C ATOM 0 H LEU A 167 4.185 -6.951 1.963 1.00 0.00 H new ATOM 0 HA LEU A 167 6.882 -7.349 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.333 -6.608 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.031 -7.007 3.917 1.00 0.00 H new ATOM 0 HG LEU A 167 6.017 -4.904 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.712 -3.238 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.388 -4.265 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.055 -4.548 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.357 -4.131 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.764 -5.479 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.234 -5.809 1.482 1.00 0.00 H new ATOM 651 N ALA A 168 5.498 -9.714 3.078 1.00 0.00 N ATOM 652 CA ALA A 168 5.677 -11.071 3.580 1.00 0.00 C ATOM 653 C ALA A 168 5.779 -12.073 2.435 1.00 0.00 C ATOM 654 O ALA A 168 6.454 -13.095 2.549 1.00 0.00 O ATOM 655 CB ALA A 168 4.532 -11.444 4.510 1.00 0.00 C ATOM 0 H ALA A 168 4.551 -9.349 3.180 1.00 0.00 H new ATOM 0 HA ALA A 168 6.612 -11.104 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.678 -12.460 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.508 -10.753 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.589 -11.387 3.967 1.00 0.00 H new ATOM 661 N LYS A 169 5.103 -11.772 1.330 1.00 0.00 N ATOM 662 CA LYS A 169 5.118 -12.646 0.163 1.00 0.00 C ATOM 663 C LYS A 169 5.039 -11.832 -1.126 1.00 0.00 C ATOM 664 O LYS A 169 3.956 -11.618 -1.670 1.00 0.00 O ATOM 665 CB LYS A 169 3.957 -13.641 0.231 1.00 0.00 C ATOM 666 CG LYS A 169 4.397 -15.094 0.160 1.00 0.00 C ATOM 667 CD LYS A 169 4.476 -15.582 -1.279 1.00 0.00 C ATOM 668 CE LYS A 169 5.809 -15.227 -1.915 1.00 0.00 C ATOM 669 NZ LYS A 169 5.897 -15.701 -3.324 1.00 0.00 N ATOM 0 H LYS A 169 4.538 -10.930 1.219 1.00 0.00 H new ATOM 0 HA LYS A 169 6.058 -13.199 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.406 -13.482 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.267 -13.438 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 169 5.371 -15.204 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.697 -15.715 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 169 4.335 -16.663 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 169 3.666 -15.140 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 169 5.948 -14.146 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 169 6.618 -15.668 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 6.822 -15.439 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 5.790 -16.735 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 5.141 -15.261 -3.886 1.00 0.00 H new ATOM 683 N ALA A 170 6.193 -11.384 -1.608 1.00 0.00 N ATOM 684 CA ALA A 170 6.255 -10.596 -2.832 1.00 0.00 C ATOM 685 C ALA A 170 7.086 -11.302 -3.899 1.00 0.00 C ATOM 686 O ALA A 170 8.318 -11.101 -3.918 1.00 0.00 O ATOM 687 CB ALA A 170 6.829 -9.217 -2.542 1.00 0.00 C ATOM 688 OXT ALA A 170 6.496 -12.052 -4.705 1.00 0.00 O ATOM 0 H ALA A 170 7.098 -11.553 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 170 5.240 -10.484 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 170 6.870 -8.638 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.195 -8.703 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.834 -9.320 -2.133 1.00 0.00 H new TER 694 ALA A 170