USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 359 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 ALA N :NH3+ -113:sc= 0.0723 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 100:sc= -4.54! USER MOD Single : A 16 ASN : amide:sc= -0.0909 K(o=-0.091,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.22) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= -3.25! (180deg=-3.29!) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.35! C(o=-8.2!,f=-2.3!) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -2.19! (180deg=-4.29!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 135:sc= 1.96 USER MOD Single : A 53 ASN : amide:sc= -1.65 K(o=-1.7,f=-9.1!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 111:sc= 1.14 USER MOD Single : A 59 ASN : amide:sc= 0.22 K(o=0.22,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.188 -14.226 -4.596 1.00 0.00 N ATOM 2 CA ALA A 1 3.394 -13.858 -3.396 1.00 0.00 C ATOM 3 C ALA A 1 1.979 -13.423 -3.782 1.00 0.00 C ATOM 4 O ALA A 1 1.702 -13.152 -4.951 1.00 0.00 O ATOM 5 CB ALA A 1 4.092 -12.748 -2.619 1.00 0.00 C ATOM 0 H1 ALA A 1 4.391 -15.246 -4.578 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.647 -13.996 -5.454 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.082 -13.695 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 1 3.316 -14.740 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.498 -12.489 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.077 -13.090 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.200 -11.870 -3.256 1.00 0.00 H new ATOM 13 N PRO A 2 1.067 -13.350 -2.796 1.00 0.00 N ATOM 14 CA PRO A 2 -0.330 -12.940 -3.020 1.00 0.00 C ATOM 15 C PRO A 2 -0.428 -11.582 -3.703 1.00 0.00 C ATOM 16 O PRO A 2 0.549 -10.845 -3.794 1.00 0.00 O ATOM 17 CB PRO A 2 -0.923 -12.950 -1.591 1.00 0.00 C ATOM 18 CG PRO A 2 0.255 -12.855 -0.688 1.00 0.00 C ATOM 19 CD PRO A 2 1.323 -13.648 -1.376 1.00 0.00 C ATOM 0 HA PRO A 2 -0.872 -13.597 -3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.605 -12.113 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.491 -13.862 -1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.561 -11.819 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.032 -13.262 0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.322 -13.338 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.240 -14.714 -1.162 1.00 0.00 H new ATOM 24 N TRP A 3 -1.609 -11.274 -4.201 1.00 0.00 N ATOM 25 CA TRP A 3 -1.844 -10.032 -4.924 1.00 0.00 C ATOM 26 C TRP A 3 -3.114 -9.361 -4.433 1.00 0.00 C ATOM 27 O TRP A 3 -3.986 -9.997 -3.841 1.00 0.00 O ATOM 28 CB TRP A 3 -1.935 -10.350 -6.415 1.00 0.00 C ATOM 29 CG TRP A 3 -3.181 -11.068 -6.775 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.421 -12.410 -6.769 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.368 -10.442 -7.184 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.718 -12.648 -7.160 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.321 -11.440 -7.427 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.703 -9.117 -7.365 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.611 -11.133 -7.853 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.957 -8.806 -7.781 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.911 -9.805 -8.025 1.00 0.00 C ATOM 0 H TRP A 3 -2.431 -11.872 -4.119 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.021 -9.339 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.879 -9.422 -6.984 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.076 -10.955 -6.706 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.703 -13.170 -6.499 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.158 -13.565 -7.239 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.978 -8.338 -7.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.342 -11.905 -8.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.225 -7.770 -7.927 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.900 -9.524 -8.354 1.00 0.00 H new ATOM 47 N ALA A 4 -3.204 -8.057 -4.691 1.00 0.00 N ATOM 48 CA ALA A 4 -4.362 -7.306 -4.252 1.00 0.00 C ATOM 49 C ALA A 4 -4.729 -6.157 -5.177 1.00 0.00 C ATOM 50 O ALA A 4 -3.922 -5.705 -5.990 1.00 0.00 O ATOM 51 CB ALA A 4 -4.144 -6.752 -2.851 1.00 0.00 C ATOM 0 H ALA A 4 -2.501 -7.514 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.189 -8.015 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.026 -6.191 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.974 -7.575 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.276 -6.093 -2.851 1.00 0.00 H new ATOM 57 N THR A 5 -5.957 -5.699 -5.037 1.00 0.00 N ATOM 58 CA THR A 5 -6.451 -4.571 -5.798 1.00 0.00 C ATOM 59 C THR A 5 -6.846 -3.507 -4.820 1.00 0.00 C ATOM 60 O THR A 5 -7.452 -3.801 -3.790 1.00 0.00 O ATOM 61 CB THR A 5 -7.673 -4.897 -6.678 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.494 -6.159 -7.327 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.887 -3.804 -7.723 1.00 0.00 C ATOM 0 H THR A 5 -6.639 -6.099 -4.393 1.00 0.00 H new ATOM 0 HA THR A 5 -5.655 -4.259 -6.474 1.00 0.00 H new ATOM 0 HB THR A 5 -8.553 -4.948 -6.037 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.278 -6.356 -7.882 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.754 -4.051 -8.335 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.056 -2.850 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.004 -3.730 -8.358 1.00 0.00 H new ATOM 71 N ALA A 6 -6.518 -2.276 -5.117 1.00 0.00 N ATOM 72 CA ALA A 6 -6.854 -1.190 -4.238 1.00 0.00 C ATOM 73 C ALA A 6 -8.363 -0.973 -4.178 1.00 0.00 C ATOM 74 O ALA A 6 -9.122 -1.453 -5.018 1.00 0.00 O ATOM 75 CB ALA A 6 -6.114 0.070 -4.660 1.00 0.00 C ATOM 0 H ALA A 6 -6.018 -2.002 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.535 -1.446 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.375 0.888 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.039 -0.107 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.397 0.334 -5.679 1.00 0.00 H new ATOM 81 N GLU A 7 -8.763 -0.263 -3.153 1.00 0.00 N ATOM 82 CA GLU A 7 -10.176 0.048 -2.929 1.00 0.00 C ATOM 83 C GLU A 7 -10.420 1.557 -2.810 1.00 0.00 C ATOM 84 O GLU A 7 -11.556 2.027 -2.880 1.00 0.00 O ATOM 85 CB GLU A 7 -10.675 -0.634 -1.655 1.00 0.00 C ATOM 86 CG GLU A 7 -10.747 -2.148 -1.768 1.00 0.00 C ATOM 87 CD GLU A 7 -11.361 -2.796 -0.543 1.00 0.00 C ATOM 88 OE1 GLU A 7 -11.279 -2.199 0.550 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.925 -3.903 -0.678 1.00 0.00 O ATOM 0 H GLU A 7 -8.133 0.119 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.724 -0.324 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.015 -0.370 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.664 -0.248 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.332 -2.415 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.743 -2.545 -1.920 1.00 0.00 H new ATOM 94 N TYR A 8 -9.334 2.299 -2.628 1.00 0.00 N ATOM 95 CA TYR A 8 -9.363 3.744 -2.485 1.00 0.00 C ATOM 96 C TYR A 8 -8.101 4.331 -3.066 1.00 0.00 C ATOM 97 O TYR A 8 -7.033 3.732 -2.943 1.00 0.00 O ATOM 98 CB TYR A 8 -9.410 4.076 -1.010 1.00 0.00 C ATOM 99 CG TYR A 8 -10.650 3.579 -0.358 1.00 0.00 C ATOM 100 CD1 TYR A 8 -10.719 2.282 0.099 1.00 0.00 C ATOM 101 CD2 TYR A 8 -11.748 4.404 -0.202 1.00 0.00 C ATOM 102 CE1 TYR A 8 -11.852 1.807 0.696 1.00 0.00 C ATOM 103 CE2 TYR A 8 -12.892 3.944 0.398 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.946 2.638 0.849 1.00 0.00 C ATOM 105 OH TYR A 8 -14.090 2.167 1.454 1.00 0.00 O ATOM 0 H TYR A 8 -8.395 1.904 -2.575 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.232 4.151 -3.002 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.542 3.641 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.342 5.156 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.865 1.631 -0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.704 5.423 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.893 0.786 1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.744 4.597 0.517 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.762 2.880 1.482 1.00 0.00 H new ATOM 114 N ASP A 9 -8.196 5.487 -3.703 1.00 0.00 N ATOM 115 CA ASP A 9 -7.037 6.165 -4.255 1.00 0.00 C ATOM 116 C ASP A 9 -6.087 6.462 -3.105 1.00 0.00 C ATOM 117 O ASP A 9 -6.106 7.550 -2.533 1.00 0.00 O ATOM 118 CB ASP A 9 -7.502 7.457 -4.918 1.00 0.00 C ATOM 119 CG ASP A 9 -7.943 7.247 -6.352 1.00 0.00 C ATOM 120 OD1 ASP A 9 -8.146 6.078 -6.746 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.087 8.250 -7.083 1.00 0.00 O ATOM 0 H ASP A 9 -9.077 5.980 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.528 5.553 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.328 7.879 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.692 8.186 -4.893 1.00 0.00 H new ATOM 125 N TYR A 10 -5.244 5.487 -2.776 1.00 0.00 N ATOM 126 CA TYR A 10 -4.331 5.628 -1.648 1.00 0.00 C ATOM 127 C TYR A 10 -3.141 6.496 -2.001 1.00 0.00 C ATOM 128 O TYR A 10 -2.477 6.272 -3.011 1.00 0.00 O ATOM 129 CB TYR A 10 -3.862 4.260 -1.151 1.00 0.00 C ATOM 130 CG TYR A 10 -2.879 4.344 -0.016 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.045 5.276 0.999 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.780 3.500 0.037 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.142 5.363 2.036 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.874 3.579 1.072 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.059 4.511 2.068 1.00 0.00 C ATOM 136 OH TYR A 10 -0.146 4.597 3.093 1.00 0.00 O ATOM 0 H TYR A 10 -5.175 4.598 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.880 6.120 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.728 3.681 -0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.405 3.718 -1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.894 5.943 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.632 2.770 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.282 6.094 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.024 2.914 1.102 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.333 3.901 3.757 1.00 0.00 H new ATOM 145 N ASP A 11 -2.896 7.504 -1.173 1.00 0.00 N ATOM 146 CA ASP A 11 -1.773 8.389 -1.416 1.00 0.00 C ATOM 147 C ASP A 11 -0.740 8.357 -0.268 1.00 0.00 C ATOM 148 O ASP A 11 -0.527 9.363 0.406 1.00 0.00 O ATOM 149 CB ASP A 11 -2.348 9.795 -1.581 1.00 0.00 C ATOM 150 CG ASP A 11 -1.296 10.888 -1.601 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.120 10.575 -1.884 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.649 12.056 -1.336 1.00 0.00 O ATOM 0 H ASP A 11 -3.449 7.723 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.237 8.067 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.920 9.837 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.046 9.990 -0.767 1.00 0.00 H new ATOM 156 N ALA A 12 -0.122 7.179 -0.057 1.00 0.00 N ATOM 157 CA ALA A 12 0.934 6.953 0.959 1.00 0.00 C ATOM 158 C ALA A 12 1.083 8.089 1.982 1.00 0.00 C ATOM 159 O ALA A 12 1.782 9.073 1.736 1.00 0.00 O ATOM 160 CB ALA A 12 2.250 6.720 0.239 1.00 0.00 C ATOM 0 H ALA A 12 -0.344 6.341 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 12 0.637 6.081 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.040 6.552 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.162 5.847 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.494 7.594 -0.364 1.00 0.00 H new ATOM 166 N ALA A 13 0.422 7.940 3.120 1.00 0.00 N ATOM 167 CA ALA A 13 0.460 8.927 4.203 1.00 0.00 C ATOM 168 C ALA A 13 1.846 9.103 4.887 1.00 0.00 C ATOM 169 O ALA A 13 2.119 10.189 5.397 1.00 0.00 O ATOM 170 CB ALA A 13 -0.557 8.538 5.250 1.00 0.00 C ATOM 0 H ALA A 13 -0.161 7.128 3.325 1.00 0.00 H new ATOM 0 HA ALA A 13 0.235 9.888 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.539 9.265 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.551 8.518 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.316 7.550 5.642 1.00 0.00 H new ATOM 176 N GLU A 14 2.720 8.093 4.918 1.00 0.00 N ATOM 177 CA GLU A 14 4.012 8.237 5.643 1.00 0.00 C ATOM 178 C GLU A 14 5.310 8.259 4.816 1.00 0.00 C ATOM 179 O GLU A 14 6.382 8.375 5.408 1.00 0.00 O ATOM 180 CB GLU A 14 4.191 7.096 6.644 1.00 0.00 C ATOM 181 CG GLU A 14 3.389 7.280 7.922 1.00 0.00 C ATOM 182 CD GLU A 14 4.055 8.231 8.897 1.00 0.00 C ATOM 183 OE1 GLU A 14 4.940 7.782 9.654 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.690 9.426 8.903 1.00 0.00 O ATOM 0 H GLU A 14 2.576 7.189 4.469 1.00 0.00 H new ATOM 0 HA GLU A 14 3.902 9.228 6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.897 6.159 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.248 7.007 6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.397 7.657 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.251 6.311 8.402 1.00 0.00 H new ATOM 189 N ASP A 15 5.232 8.126 3.500 1.00 0.00 N ATOM 190 CA ASP A 15 6.417 8.148 2.610 1.00 0.00 C ATOM 191 C ASP A 15 6.756 6.716 2.243 1.00 0.00 C ATOM 192 O ASP A 15 6.655 6.362 1.066 1.00 0.00 O ATOM 193 CB ASP A 15 7.626 8.892 3.195 1.00 0.00 C ATOM 194 CG ASP A 15 7.259 10.262 3.729 1.00 0.00 C ATOM 195 OD1 ASP A 15 6.070 10.634 3.641 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.161 10.964 4.234 1.00 0.00 O ATOM 0 H ASP A 15 4.350 7.999 3.004 1.00 0.00 H new ATOM 0 HA ASP A 15 6.162 8.720 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.062 8.297 3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.391 8.998 2.426 1.00 0.00 H new ATOM 200 N ASN A 16 7.159 5.864 3.210 1.00 0.00 N ATOM 201 CA ASN A 16 7.434 4.502 2.768 1.00 0.00 C ATOM 202 C ASN A 16 6.180 3.672 2.975 1.00 0.00 C ATOM 203 O ASN A 16 6.168 2.670 3.694 1.00 0.00 O ATOM 204 CB ASN A 16 8.464 4.006 3.797 1.00 0.00 C ATOM 205 CG ASN A 16 9.600 3.239 3.159 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.521 2.832 2.001 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.667 3.040 3.920 1.00 0.00 N ATOM 0 H ASN A 16 7.288 6.072 4.200 1.00 0.00 H new ATOM 0 HA ASN A 16 7.757 4.441 1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.868 4.859 4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.965 3.369 4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.469 2.530 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.686 3.397 4.875 1.00 0.00 H new ATOM 213 N GLU A 17 5.131 4.089 2.322 1.00 0.00 N ATOM 214 CA GLU A 17 3.934 3.341 2.142 1.00 0.00 C ATOM 215 C GLU A 17 3.834 3.110 0.647 1.00 0.00 C ATOM 216 O GLU A 17 4.598 3.717 -0.106 1.00 0.00 O ATOM 217 CB GLU A 17 2.753 4.101 2.727 1.00 0.00 C ATOM 218 CG GLU A 17 2.809 4.090 4.252 1.00 0.00 C ATOM 219 CD GLU A 17 1.773 4.973 4.912 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.396 5.993 4.311 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.355 4.653 6.045 1.00 0.00 O ATOM 0 H GLU A 17 5.094 5.008 1.881 1.00 0.00 H new ATOM 0 HA GLU A 17 3.935 2.384 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.760 5.129 2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.820 3.650 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.676 3.067 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.801 4.410 4.571 1.00 0.00 H new ATOM 226 N LEU A 18 2.945 2.279 0.181 1.00 0.00 N ATOM 227 CA LEU A 18 2.779 2.140 -1.252 1.00 0.00 C ATOM 228 C LEU A 18 1.695 3.124 -1.612 1.00 0.00 C ATOM 229 O LEU A 18 1.094 3.749 -0.739 1.00 0.00 O ATOM 230 CB LEU A 18 2.386 0.724 -1.653 1.00 0.00 C ATOM 231 CG LEU A 18 3.249 0.121 -2.759 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.495 -1.346 -2.485 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.597 0.315 -4.119 1.00 0.00 C ATOM 0 H LEU A 18 2.333 1.696 0.751 1.00 0.00 H new ATOM 0 HA LEU A 18 3.713 2.336 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.441 0.082 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.346 0.727 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 18 4.209 0.638 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.111 -1.766 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.009 -1.457 -1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.542 -1.874 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.230 -0.122 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.623 -0.173 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.471 1.380 -4.313 1.00 0.00 H new ATOM 244 N THR A 19 1.443 3.262 -2.898 1.00 0.00 N ATOM 245 CA THR A 19 0.492 4.255 -3.342 1.00 0.00 C ATOM 246 C THR A 19 -0.227 3.750 -4.566 1.00 0.00 C ATOM 247 O THR A 19 0.403 3.373 -5.555 1.00 0.00 O ATOM 248 CB THR A 19 1.188 5.590 -3.655 1.00 0.00 C ATOM 249 OG1 THR A 19 2.593 5.486 -3.392 1.00 0.00 O ATOM 250 CG2 THR A 19 0.595 6.705 -2.821 1.00 0.00 C ATOM 0 H THR A 19 1.875 2.710 -3.639 1.00 0.00 H new ATOM 0 HA THR A 19 -0.225 4.430 -2.540 1.00 0.00 H new ATOM 0 HB THR A 19 1.035 5.819 -4.710 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.028 6.340 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.099 7.642 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.468 6.800 -3.043 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.726 6.477 -1.763 1.00 0.00 H new ATOM 258 N PHE A 20 -1.537 3.739 -4.508 1.00 0.00 N ATOM 259 CA PHE A 20 -2.304 3.197 -5.614 1.00 0.00 C ATOM 260 C PHE A 20 -3.705 3.781 -5.708 1.00 0.00 C ATOM 261 O PHE A 20 -4.120 4.632 -4.920 1.00 0.00 O ATOM 262 CB PHE A 20 -2.394 1.673 -5.471 1.00 0.00 C ATOM 263 CG PHE A 20 -2.343 1.220 -4.042 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.360 1.558 -3.169 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.264 0.496 -3.565 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.302 1.184 -1.845 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.204 0.113 -2.241 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.226 0.461 -1.381 1.00 0.00 C ATOM 0 H PHE A 20 -2.089 4.090 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.782 3.470 -6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.321 1.324 -5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.575 1.212 -6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.208 2.121 -3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.461 0.228 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.100 1.458 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.361 -0.457 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.182 0.166 -0.343 1.00 0.00 H new ATOM 277 N VAL A 21 -4.405 3.280 -6.707 1.00 0.00 N ATOM 278 CA VAL A 21 -5.791 3.616 -6.964 1.00 0.00 C ATOM 279 C VAL A 21 -6.602 2.325 -6.934 1.00 0.00 C ATOM 280 O VAL A 21 -6.080 1.263 -7.239 1.00 0.00 O ATOM 281 CB VAL A 21 -5.957 4.361 -8.304 1.00 0.00 C ATOM 282 CG1 VAL A 21 -5.757 5.856 -8.111 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.993 3.819 -9.348 1.00 0.00 C ATOM 0 H VAL A 21 -4.018 2.614 -7.376 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.154 4.298 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.972 4.194 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.878 6.366 -9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.495 6.233 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.755 6.042 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.129 4.360 -10.284 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.968 3.949 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.190 2.759 -9.509 1.00 0.00 H new ATOM 293 N GLU A 22 -7.870 2.406 -6.554 1.00 0.00 N ATOM 294 CA GLU A 22 -8.761 1.245 -6.422 1.00 0.00 C ATOM 295 C GLU A 22 -8.642 0.207 -7.538 1.00 0.00 C ATOM 296 O GLU A 22 -8.903 -0.981 -7.362 1.00 0.00 O ATOM 297 CB GLU A 22 -10.206 1.760 -6.316 1.00 0.00 C ATOM 298 CG GLU A 22 -11.264 1.003 -7.127 1.00 0.00 C ATOM 299 CD GLU A 22 -11.594 -0.354 -6.538 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.160 -0.396 -5.426 1.00 0.00 O ATOM 301 OE2 GLU A 22 -11.290 -1.375 -7.191 1.00 0.00 O ATOM 0 H GLU A 22 -8.322 3.291 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.455 0.711 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.500 1.737 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.220 2.804 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.173 1.602 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.908 0.874 -8.149 1.00 0.00 H new ATOM 306 N ASN A 23 -8.251 0.696 -8.651 1.00 0.00 N ATOM 307 CA ASN A 23 -8.145 -0.168 -9.831 1.00 0.00 C ATOM 308 C ASN A 23 -6.694 -0.534 -10.153 1.00 0.00 C ATOM 309 O ASN A 23 -6.406 -1.074 -11.221 1.00 0.00 O ATOM 310 CB ASN A 23 -8.841 0.460 -11.046 1.00 0.00 C ATOM 311 CG ASN A 23 -9.387 1.857 -10.794 1.00 0.00 C ATOM 312 OD1 ASN A 23 -10.561 2.027 -10.464 1.00 0.00 O ATOM 313 ND2 ASN A 23 -8.535 2.863 -10.947 1.00 0.00 N ATOM 0 H ASN A 23 -7.995 1.672 -8.802 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.661 -1.097 -9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.134 0.502 -11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.660 -0.188 -11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.845 3.822 -10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.570 2.677 -11.222 1.00 0.00 H new ATOM 319 N ASP A 24 -5.787 -0.237 -9.230 1.00 0.00 N ATOM 320 CA ASP A 24 -4.380 -0.584 -9.408 1.00 0.00 C ATOM 321 C ASP A 24 -4.146 -2.017 -8.953 1.00 0.00 C ATOM 322 O ASP A 24 -4.610 -2.436 -7.894 1.00 0.00 O ATOM 323 CB ASP A 24 -3.473 0.412 -8.656 1.00 0.00 C ATOM 324 CG ASP A 24 -2.405 -0.217 -7.763 1.00 0.00 C ATOM 325 OD1 ASP A 24 -2.765 -1.041 -6.896 1.00 0.00 O ATOM 326 OD2 ASP A 24 -1.217 0.126 -7.924 1.00 0.00 O ATOM 0 H ASP A 24 -5.998 0.241 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.122 -0.516 -10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.979 1.051 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.102 1.057 -8.042 1.00 0.00 H new ATOM 330 N LYS A 25 -3.417 -2.753 -9.771 1.00 0.00 N ATOM 331 CA LYS A 25 -3.107 -4.124 -9.473 1.00 0.00 C ATOM 332 C LYS A 25 -1.873 -4.182 -8.571 1.00 0.00 C ATOM 333 O LYS A 25 -0.881 -3.502 -8.830 1.00 0.00 O ATOM 334 CB LYS A 25 -2.856 -4.857 -10.790 1.00 0.00 C ATOM 335 CG LYS A 25 -2.275 -6.232 -10.627 1.00 0.00 C ATOM 336 CD LYS A 25 -3.346 -7.259 -10.317 1.00 0.00 C ATOM 337 CE LYS A 25 -2.738 -8.496 -9.703 1.00 0.00 C ATOM 338 NZ LYS A 25 -1.770 -9.157 -10.623 1.00 0.00 N ATOM 0 H LYS A 25 -3.030 -2.414 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.934 -4.602 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.797 -4.934 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.181 -4.260 -11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.751 -6.516 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.537 -6.223 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.080 -6.831 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.878 -7.524 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.232 -8.229 -8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.530 -9.199 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.414 -10.030 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.245 -9.389 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.974 -8.514 -10.810 1.00 0.00 H new ATOM 348 N ILE A 26 -1.929 -4.991 -7.512 1.00 0.00 N ATOM 349 CA ILE A 26 -0.801 -5.136 -6.596 1.00 0.00 C ATOM 350 C ILE A 26 -0.404 -6.610 -6.544 1.00 0.00 C ATOM 351 O ILE A 26 -1.258 -7.481 -6.420 1.00 0.00 O ATOM 352 CB ILE A 26 -1.178 -4.655 -5.175 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.580 -3.179 -5.201 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.020 -4.867 -4.211 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.511 -2.776 -4.077 1.00 0.00 C ATOM 0 H ILE A 26 -2.744 -5.555 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 26 0.029 -4.527 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.027 -5.244 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.680 -2.567 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.061 -2.961 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.306 -4.522 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.229 -5.927 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.847 -4.304 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.750 -1.716 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.429 -3.361 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.026 -2.961 -3.119 1.00 0.00 H new ATOM 366 N ILE A 27 0.891 -6.876 -6.621 1.00 0.00 N ATOM 367 CA ILE A 27 1.376 -8.255 -6.639 1.00 0.00 C ATOM 368 C ILE A 27 2.605 -8.436 -5.764 1.00 0.00 C ATOM 369 O ILE A 27 3.184 -7.473 -5.262 1.00 0.00 O ATOM 370 CB ILE A 27 1.640 -8.713 -8.089 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.602 -7.770 -8.809 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.332 -8.815 -8.855 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.426 -8.460 -9.870 1.00 0.00 C ATOM 0 H ILE A 27 1.622 -6.166 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 27 0.597 -8.889 -6.217 1.00 0.00 H new ATOM 0 HB ILE A 27 2.107 -9.697 -8.047 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.033 -6.962 -9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.270 -7.315 -8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.533 -9.139 -9.876 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.320 -9.539 -8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.156 -7.841 -8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.089 -7.736 -10.344 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.020 -9.251 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.764 -8.892 -10.621 1.00 0.00 H new ATOM 384 N ASN A 28 2.989 -9.697 -5.595 1.00 0.00 N ATOM 385 CA ASN A 28 4.108 -10.062 -4.757 1.00 0.00 C ATOM 386 C ASN A 28 3.865 -9.542 -3.365 1.00 0.00 C ATOM 387 O ASN A 28 4.747 -8.970 -2.724 1.00 0.00 O ATOM 388 CB ASN A 28 5.442 -9.549 -5.290 1.00 0.00 C ATOM 389 CG ASN A 28 5.697 -9.968 -6.716 1.00 0.00 C ATOM 390 OD1 ASN A 28 5.034 -9.295 -7.637 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.477 -10.882 -6.984 1.00 0.00 N flip ATOM 0 H ASN A 28 2.527 -10.491 -6.039 1.00 0.00 H new ATOM 0 HA ASN A 28 4.179 -11.150 -4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.460 -8.461 -5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.248 -9.919 -4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.966 -11.372 -6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.635 -11.150 -7.956 1.00 0.00 H new ATOM 397 N ILE A 29 2.640 -9.756 -2.910 1.00 0.00 N ATOM 398 CA ILE A 29 2.240 -9.290 -1.610 1.00 0.00 C ATOM 399 C ILE A 29 2.914 -10.116 -0.532 1.00 0.00 C ATOM 400 O ILE A 29 3.051 -11.329 -0.639 1.00 0.00 O ATOM 401 CB ILE A 29 0.696 -9.310 -1.426 1.00 0.00 C ATOM 402 CG1 ILE A 29 0.051 -8.252 -2.331 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.307 -9.065 0.031 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.439 -8.065 -2.104 1.00 0.00 C ATOM 0 H ILE A 29 1.913 -10.250 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 29 2.558 -8.251 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 29 0.332 -10.298 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.554 -7.298 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.217 -8.530 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.779 -9.085 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.741 -9.843 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.681 -8.092 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.817 -7.300 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.957 -9.006 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.614 -7.754 -1.074 1.00 0.00 H new ATOM 415 N GLU A 30 3.308 -9.438 0.512 1.00 0.00 N ATOM 416 CA GLU A 30 3.924 -10.117 1.629 1.00 0.00 C ATOM 417 C GLU A 30 3.394 -9.549 2.916 1.00 0.00 C ATOM 418 O GLU A 30 2.851 -8.459 2.923 1.00 0.00 O ATOM 419 CB GLU A 30 5.452 -10.070 1.542 1.00 0.00 C ATOM 420 CG GLU A 30 5.983 -10.189 0.118 1.00 0.00 C ATOM 421 CD GLU A 30 7.293 -10.948 0.048 1.00 0.00 C ATOM 422 OE1 GLU A 30 7.256 -12.196 0.019 1.00 0.00 O ATOM 423 OE2 GLU A 30 8.357 -10.294 0.021 1.00 0.00 O ATOM 0 H GLU A 30 3.217 -8.427 0.616 1.00 0.00 H new ATOM 0 HA GLU A 30 3.660 -11.174 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.804 -9.134 1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.868 -10.877 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.241 -10.693 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.122 -9.192 -0.299 1.00 0.00 H new ATOM 428 N PHE A 31 3.632 -10.236 4.016 1.00 0.00 N ATOM 429 CA PHE A 31 3.088 -9.756 5.276 1.00 0.00 C ATOM 430 C PHE A 31 4.149 -9.190 6.203 1.00 0.00 C ATOM 431 O PHE A 31 4.405 -9.709 7.289 1.00 0.00 O ATOM 432 CB PHE A 31 2.262 -10.863 5.929 1.00 0.00 C ATOM 433 CG PHE A 31 1.174 -11.365 5.009 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.075 -10.568 4.702 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.258 -12.622 4.431 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.910 -11.014 3.841 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.273 -13.075 3.571 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.812 -12.269 3.274 1.00 0.00 C ATOM 0 H PHE A 31 4.177 -11.097 4.068 1.00 0.00 H new ATOM 0 HA PHE A 31 2.430 -8.913 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.916 -11.690 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.816 -10.489 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.009 -9.586 5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.103 -13.256 4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.755 -10.382 3.612 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.351 -14.058 3.131 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.580 -12.621 2.601 1.00 0.00 H new ATOM 447 N VAL A 32 4.757 -8.109 5.736 1.00 0.00 N ATOM 448 CA VAL A 32 5.760 -7.379 6.490 1.00 0.00 C ATOM 449 C VAL A 32 5.173 -6.970 7.841 1.00 0.00 C ATOM 450 O VAL A 32 5.863 -7.023 8.859 1.00 0.00 O ATOM 451 CB VAL A 32 6.183 -6.113 5.693 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.100 -6.493 4.541 1.00 0.00 C ATOM 453 CG2 VAL A 32 4.955 -5.372 5.176 1.00 0.00 C ATOM 0 H VAL A 32 4.565 -7.713 4.816 1.00 0.00 H new ATOM 0 HA VAL A 32 6.634 -8.010 6.652 1.00 0.00 H new ATOM 0 HB VAL A 32 6.728 -5.449 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.387 -5.595 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.993 -6.980 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.578 -7.176 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.270 -4.489 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.383 -6.028 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.332 -5.068 6.017 1.00 0.00 H new ATOM 463 N ASP A 33 3.911 -6.567 7.859 1.00 0.00 N ATOM 464 CA ASP A 33 3.230 -6.218 9.099 1.00 0.00 C ATOM 465 C ASP A 33 1.814 -6.793 9.074 1.00 0.00 C ATOM 466 O ASP A 33 1.242 -6.972 8.006 1.00 0.00 O ATOM 467 CB ASP A 33 3.210 -4.700 9.295 1.00 0.00 C ATOM 468 CG ASP A 33 2.209 -4.271 10.353 1.00 0.00 C ATOM 469 OD1 ASP A 33 2.291 -4.784 11.488 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.347 -3.422 10.044 1.00 0.00 O ATOM 0 H ASP A 33 3.334 -6.473 7.023 1.00 0.00 H new ATOM 0 HA ASP A 33 3.769 -6.647 9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.205 -4.359 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.966 -4.216 8.349 1.00 0.00 H new ATOM 474 N ASP A 34 1.247 -7.081 10.244 1.00 0.00 N ATOM 475 CA ASP A 34 -0.122 -7.594 10.307 1.00 0.00 C ATOM 476 C ASP A 34 -1.038 -6.636 9.559 1.00 0.00 C ATOM 477 O ASP A 34 -1.854 -7.034 8.728 1.00 0.00 O ATOM 478 CB ASP A 34 -0.578 -7.729 11.761 1.00 0.00 C ATOM 479 CG ASP A 34 0.256 -8.726 12.538 1.00 0.00 C ATOM 480 OD1 ASP A 34 1.345 -9.097 12.051 1.00 0.00 O ATOM 481 OD2 ASP A 34 -0.179 -9.140 13.634 1.00 0.00 O ATOM 0 H ASP A 34 1.705 -6.971 11.149 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.161 -8.581 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.523 -6.755 12.248 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.623 -8.038 11.784 1.00 0.00 H new ATOM 485 N ASP A 35 -0.874 -5.362 9.886 1.00 0.00 N ATOM 486 CA ASP A 35 -1.718 -4.306 9.349 1.00 0.00 C ATOM 487 C ASP A 35 -1.263 -3.739 8.011 1.00 0.00 C ATOM 488 O ASP A 35 -2.098 -3.435 7.159 1.00 0.00 O ATOM 489 CB ASP A 35 -1.824 -3.168 10.364 1.00 0.00 C ATOM 490 CG ASP A 35 -2.832 -3.462 11.458 1.00 0.00 C ATOM 491 OD1 ASP A 35 -4.007 -3.725 11.127 1.00 0.00 O ATOM 492 OD2 ASP A 35 -2.445 -3.429 12.646 1.00 0.00 O ATOM 0 H ASP A 35 -0.154 -5.033 10.529 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.685 -4.773 9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.846 -2.992 10.812 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.108 -2.250 9.849 1.00 0.00 H new ATOM 496 N TRP A 36 0.043 -3.588 7.803 1.00 0.00 N ATOM 497 CA TRP A 36 0.511 -3.159 6.486 1.00 0.00 C ATOM 498 C TRP A 36 1.326 -4.261 5.846 1.00 0.00 C ATOM 499 O TRP A 36 2.387 -4.614 6.352 1.00 0.00 O ATOM 500 CB TRP A 36 1.335 -1.876 6.564 1.00 0.00 C ATOM 501 CG TRP A 36 0.501 -0.710 6.935 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.224 -0.617 8.059 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.270 0.494 6.193 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.885 0.579 8.107 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.607 1.281 6.964 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.720 0.989 4.965 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -1.045 2.532 6.553 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.278 2.236 4.553 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.598 2.992 5.350 1.00 0.00 C ATOM 0 H TRP A 36 0.772 -3.749 8.498 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.366 -2.949 5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.133 -2.000 7.296 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.812 -1.691 5.601 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.278 -1.381 8.821 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.486 0.896 8.868 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.397 0.412 4.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.715 3.119 7.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.612 2.633 3.605 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.925 3.960 5.001 1.00 0.00 H new ATOM 519 N TRP A 37 0.867 -4.818 4.732 1.00 0.00 N ATOM 520 CA TRP A 37 1.570 -5.865 4.028 1.00 0.00 C ATOM 521 C TRP A 37 2.407 -5.192 2.969 1.00 0.00 C ATOM 522 O TRP A 37 2.231 -4.002 2.715 1.00 0.00 O ATOM 523 CB TRP A 37 0.552 -6.849 3.431 1.00 0.00 C ATOM 524 CG TRP A 37 -0.656 -7.072 4.277 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.680 -7.342 5.609 1.00 0.00 C ATOM 526 CD2 TRP A 37 -2.017 -7.061 3.843 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.970 -7.513 6.034 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.813 -7.342 4.967 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.641 -6.842 2.613 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.196 -7.413 4.897 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -4.017 -6.907 2.544 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.784 -7.193 3.680 1.00 0.00 C ATOM 0 H TRP A 37 -0.013 -4.548 4.293 1.00 0.00 H new ATOM 0 HA TRP A 37 2.218 -6.444 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.235 -6.478 2.456 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.045 -7.806 3.263 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.193 -7.412 6.241 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.257 -7.732 6.988 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.056 -6.626 1.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.789 -7.634 5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.511 -6.735 1.599 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.860 -7.241 3.595 1.00 0.00 H new ATOM 542 N LEU A 38 3.313 -5.916 2.338 1.00 0.00 N ATOM 543 CA LEU A 38 4.158 -5.310 1.341 1.00 0.00 C ATOM 544 C LEU A 38 3.730 -5.736 -0.041 1.00 0.00 C ATOM 545 O LEU A 38 3.147 -6.793 -0.225 1.00 0.00 O ATOM 546 CB LEU A 38 5.634 -5.663 1.631 1.00 0.00 C ATOM 547 CG LEU A 38 6.328 -6.588 0.613 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.571 -5.844 -0.689 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.635 -7.123 1.180 1.00 0.00 C ATOM 0 H LEU A 38 3.477 -6.910 2.499 1.00 0.00 H new ATOM 0 HA LEU A 38 4.059 -4.225 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.202 -4.735 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.686 -6.134 2.613 1.00 0.00 H new ATOM 0 HG LEU A 38 5.675 -7.437 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.062 -6.507 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.618 -5.511 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.207 -4.979 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.110 -7.774 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.299 -6.290 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.433 -7.688 2.090 1.00 0.00 H new ATOM 560 N GLY A 39 4.020 -4.878 -0.996 1.00 0.00 N ATOM 561 CA GLY A 39 3.616 -5.210 -2.338 1.00 0.00 C ATOM 562 C GLY A 39 4.662 -5.061 -3.417 1.00 0.00 C ATOM 563 O GLY A 39 5.858 -4.900 -3.175 1.00 0.00 O ATOM 0 H GLY A 39 4.509 -3.991 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.267 -6.243 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.764 -4.584 -2.602 1.00 0.00 H new ATOM 567 N GLU A 40 4.129 -5.117 -4.622 1.00 0.00 N ATOM 568 CA GLU A 40 4.850 -4.962 -5.865 1.00 0.00 C ATOM 569 C GLU A 40 3.768 -4.691 -6.898 1.00 0.00 C ATOM 570 O GLU A 40 2.923 -5.541 -7.115 1.00 0.00 O ATOM 571 CB GLU A 40 5.663 -6.206 -6.189 1.00 0.00 C ATOM 572 CG GLU A 40 6.974 -5.889 -6.875 1.00 0.00 C ATOM 573 CD GLU A 40 7.971 -7.027 -6.789 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.049 -7.669 -5.721 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.674 -7.278 -7.791 1.00 0.00 O ATOM 0 H GLU A 40 3.132 -5.280 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 40 5.581 -4.154 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.863 -6.753 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.073 -6.863 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.784 -5.657 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.408 -4.997 -6.424 1.00 0.00 H new ATOM 580 N LEU A 41 3.754 -3.536 -7.522 1.00 0.00 N ATOM 581 CA LEU A 41 2.681 -3.273 -8.472 1.00 0.00 C ATOM 582 C LEU A 41 2.911 -3.952 -9.804 1.00 0.00 C ATOM 583 O LEU A 41 3.925 -3.769 -10.448 1.00 0.00 O ATOM 584 CB LEU A 41 2.416 -1.776 -8.651 1.00 0.00 C ATOM 585 CG LEU A 41 2.062 -1.021 -7.372 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.024 0.479 -7.629 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.727 -1.501 -6.830 1.00 0.00 C ATOM 0 H LEU A 41 4.438 -2.788 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 41 1.782 -3.711 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.301 -1.317 -9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.602 -1.650 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 41 2.832 -1.221 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.770 1.000 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.001 0.813 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.273 0.699 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.487 -0.954 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.051 -1.327 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.786 -2.567 -6.609 1.00 0.00 H new ATOM 598 N GLU A 42 1.983 -4.804 -10.186 1.00 0.00 N ATOM 599 CA GLU A 42 2.090 -5.491 -11.454 1.00 0.00 C ATOM 600 C GLU A 42 2.200 -4.467 -12.580 1.00 0.00 C ATOM 601 O GLU A 42 2.910 -4.680 -13.563 1.00 0.00 O ATOM 602 CB GLU A 42 0.871 -6.398 -11.653 1.00 0.00 C ATOM 603 CG GLU A 42 0.540 -6.713 -13.104 1.00 0.00 C ATOM 604 CD GLU A 42 1.609 -7.549 -13.779 1.00 0.00 C ATOM 605 OE1 GLU A 42 2.011 -8.580 -13.201 1.00 0.00 O ATOM 606 OE2 GLU A 42 2.044 -7.173 -14.889 1.00 0.00 O ATOM 0 H GLU A 42 1.153 -5.036 -9.641 1.00 0.00 H new ATOM 0 HA GLU A 42 2.985 -6.113 -11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.042 -7.335 -11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.004 -5.924 -11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.412 -7.242 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.412 -5.781 -13.654 1.00 0.00 H new ATOM 611 N LYS A 43 1.489 -3.353 -12.424 1.00 0.00 N ATOM 612 CA LYS A 43 1.485 -2.320 -13.444 1.00 0.00 C ATOM 613 C LYS A 43 2.821 -1.556 -13.529 1.00 0.00 C ATOM 614 O LYS A 43 3.308 -1.306 -14.632 1.00 0.00 O ATOM 615 CB LYS A 43 0.279 -1.381 -13.262 1.00 0.00 C ATOM 616 CG LYS A 43 0.573 -0.081 -12.526 1.00 0.00 C ATOM 617 CD LYS A 43 -0.603 0.347 -11.664 1.00 0.00 C ATOM 618 CE LYS A 43 -0.144 0.746 -10.274 1.00 0.00 C ATOM 619 NZ LYS A 43 1.046 1.640 -10.315 1.00 0.00 N ATOM 0 H LYS A 43 0.914 -3.148 -11.607 1.00 0.00 H new ATOM 0 HA LYS A 43 1.377 -2.816 -14.408 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.124 -1.140 -14.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.500 -1.918 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.457 -0.207 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.802 0.703 -13.247 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.117 1.185 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.322 -0.469 -11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.959 1.250 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.095 -0.149 -9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.050 2.252 -9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.912 1.065 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.008 2.229 -11.171 1.00 0.00 H new ATOM 629 N ASP A 44 3.422 -1.182 -12.393 1.00 0.00 N ATOM 630 CA ASP A 44 4.682 -0.413 -12.439 1.00 0.00 C ATOM 631 C ASP A 44 5.829 -1.041 -11.639 1.00 0.00 C ATOM 632 O ASP A 44 6.978 -0.611 -11.750 1.00 0.00 O ATOM 633 CB ASP A 44 4.469 1.024 -11.960 1.00 0.00 C ATOM 634 CG ASP A 44 5.562 1.961 -12.434 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.419 2.531 -13.537 1.00 0.00 O ATOM 636 OD2 ASP A 44 6.561 2.128 -11.702 1.00 0.00 O ATOM 0 H ASP A 44 3.074 -1.388 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 44 4.978 -0.424 -13.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.505 1.384 -12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.429 1.039 -10.871 1.00 0.00 H new ATOM 640 N GLY A 45 5.520 -2.047 -10.844 1.00 0.00 N ATOM 641 CA GLY A 45 6.548 -2.705 -10.047 1.00 0.00 C ATOM 642 C GLY A 45 6.947 -1.964 -8.781 1.00 0.00 C ATOM 643 O GLY A 45 8.097 -2.061 -8.350 1.00 0.00 O ATOM 0 H GLY A 45 4.580 -2.426 -10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.194 -3.699 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.435 -2.842 -10.666 1.00 0.00 H new ATOM 647 N SER A 46 6.024 -1.225 -8.174 1.00 0.00 N ATOM 648 CA SER A 46 6.354 -0.494 -6.948 1.00 0.00 C ATOM 649 C SER A 46 6.133 -1.373 -5.718 1.00 0.00 C ATOM 650 O SER A 46 5.119 -2.057 -5.616 1.00 0.00 O ATOM 651 CB SER A 46 5.515 0.782 -6.842 1.00 0.00 C ATOM 652 OG SER A 46 6.023 1.798 -7.690 1.00 0.00 O ATOM 0 H SER A 46 5.063 -1.115 -8.498 1.00 0.00 H new ATOM 0 HA SER A 46 7.408 -0.218 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.481 0.564 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.511 1.134 -5.810 1.00 0.00 H new ATOM 0 HG SER A 46 5.469 2.602 -7.605 1.00 0.00 H new ATOM 657 N LYS A 47 7.061 -1.295 -4.755 1.00 0.00 N ATOM 658 CA LYS A 47 6.974 -2.097 -3.530 1.00 0.00 C ATOM 659 C LYS A 47 6.963 -1.218 -2.288 1.00 0.00 C ATOM 660 O LYS A 47 7.563 -0.143 -2.275 1.00 0.00 O ATOM 661 CB LYS A 47 8.136 -3.084 -3.404 1.00 0.00 C ATOM 662 CG LYS A 47 8.594 -3.652 -4.739 1.00 0.00 C ATOM 663 CD LYS A 47 9.965 -3.126 -5.132 1.00 0.00 C ATOM 664 CE LYS A 47 10.436 -3.725 -6.448 1.00 0.00 C ATOM 665 NZ LYS A 47 11.691 -3.086 -6.932 1.00 0.00 N ATOM 0 H LYS A 47 7.878 -0.686 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 47 6.038 -2.650 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.977 -2.584 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.837 -3.905 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.624 -4.740 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.870 -3.394 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.928 -2.040 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.684 -3.359 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.599 -4.795 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.656 -3.608 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.978 -3.523 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.529 -2.069 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.443 -3.220 -6.226 1.00 0.00 H new ATOM 675 N GLY A 48 6.279 -1.672 -1.241 1.00 0.00 N ATOM 676 CA GLY A 48 6.236 -0.937 0.012 1.00 0.00 C ATOM 677 C GLY A 48 5.174 -1.463 0.959 1.00 0.00 C ATOM 678 O GLY A 48 4.262 -2.172 0.534 1.00 0.00 O ATOM 0 H GLY A 48 5.749 -2.544 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.211 -0.994 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.044 0.116 -0.195 1.00 0.00 H new ATOM 682 N LEU A 49 5.283 -1.131 2.245 1.00 0.00 N ATOM 683 CA LEU A 49 4.286 -1.580 3.198 1.00 0.00 C ATOM 684 C LEU A 49 3.043 -0.769 2.927 1.00 0.00 C ATOM 685 O LEU A 49 3.089 0.459 2.921 1.00 0.00 O ATOM 686 CB LEU A 49 4.765 -1.407 4.647 1.00 0.00 C ATOM 687 CG LEU A 49 6.212 -1.837 4.937 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.631 -3.003 4.050 1.00 0.00 C ATOM 689 CD2 LEU A 49 7.166 -0.660 4.771 1.00 0.00 C ATOM 0 H LEU A 49 6.036 -0.566 2.638 1.00 0.00 H new ATOM 0 HA LEU A 49 4.091 -2.646 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.658 -0.357 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.101 -1.976 5.298 1.00 0.00 H new ATOM 0 HG LEU A 49 6.260 -2.175 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.659 -3.283 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.974 -3.853 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.560 -2.708 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.185 -0.985 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.108 -0.286 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.889 0.134 5.464 1.00 0.00 H new ATOM 700 N PHE A 50 1.930 -1.438 2.705 1.00 0.00 N ATOM 701 CA PHE A 50 0.711 -0.757 2.331 1.00 0.00 C ATOM 702 C PHE A 50 -0.432 -1.062 3.269 1.00 0.00 C ATOM 703 O PHE A 50 -0.437 -2.079 3.954 1.00 0.00 O ATOM 704 CB PHE A 50 0.322 -1.114 0.889 1.00 0.00 C ATOM 705 CG PHE A 50 -0.053 -2.558 0.682 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.912 -3.512 0.382 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.376 -2.956 0.772 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.557 -4.836 0.179 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.732 -4.276 0.570 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.764 -5.214 0.275 1.00 0.00 C ATOM 0 H PHE A 50 1.846 -2.452 2.777 1.00 0.00 H new ATOM 0 HA PHE A 50 0.908 0.313 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.517 -0.487 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.156 -0.870 0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.949 -3.219 0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.138 -2.227 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.314 -5.570 -0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.768 -4.573 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.042 -6.246 0.119 1.00 0.00 H new ATOM 719 N PRO A 51 -1.432 -0.177 3.282 1.00 0.00 N ATOM 720 CA PRO A 51 -2.588 -0.316 4.133 1.00 0.00 C ATOM 721 C PRO A 51 -3.402 -1.553 3.819 1.00 0.00 C ATOM 722 O PRO A 51 -3.078 -2.354 2.943 1.00 0.00 O ATOM 723 CB PRO A 51 -3.453 0.924 3.886 1.00 0.00 C ATOM 724 CG PRO A 51 -2.639 1.836 3.032 1.00 0.00 C ATOM 725 CD PRO A 51 -1.533 1.016 2.418 1.00 0.00 C ATOM 0 HA PRO A 51 -2.263 -0.412 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.386 0.655 3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.720 1.406 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.257 2.288 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.227 2.651 3.626 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.767 0.742 1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.594 1.570 2.395 1.00 0.00 H new ATOM 730 N SER A 52 -4.461 -1.664 4.592 1.00 0.00 N ATOM 731 CA SER A 52 -5.336 -2.798 4.301 1.00 0.00 C ATOM 732 C SER A 52 -6.789 -2.434 4.159 1.00 0.00 C ATOM 733 O SER A 52 -7.579 -3.180 3.580 1.00 0.00 O ATOM 734 CB SER A 52 -5.085 -3.936 5.289 1.00 0.00 C ATOM 735 OG SER A 52 -6.022 -4.984 5.112 1.00 0.00 O ATOM 0 H SER A 52 -4.729 -1.050 5.361 1.00 0.00 H new ATOM 0 HA SER A 52 -5.068 -3.159 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.074 -4.322 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.148 -3.556 6.309 1.00 0.00 H new ATOM 0 HG SER A 52 -5.555 -5.846 5.123 1.00 0.00 H new ATOM 740 N ASN A 53 -7.139 -1.277 4.694 1.00 0.00 N ATOM 741 CA ASN A 53 -8.469 -0.744 4.588 1.00 0.00 C ATOM 742 C ASN A 53 -8.618 0.015 3.267 1.00 0.00 C ATOM 743 O ASN A 53 -9.722 0.138 2.735 1.00 0.00 O ATOM 744 CB ASN A 53 -8.759 0.171 5.778 1.00 0.00 C ATOM 745 CG ASN A 53 -7.930 1.439 5.747 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.902 1.506 5.074 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.372 2.454 6.482 1.00 0.00 N ATOM 0 H ASN A 53 -6.496 -0.683 5.217 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.190 -1.561 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.817 0.432 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.559 -0.368 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.854 3.332 6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.230 2.355 7.025 1.00 0.00 H new ATOM 753 N TYR A 54 -7.485 0.529 2.734 1.00 0.00 N ATOM 754 CA TYR A 54 -7.481 1.268 1.472 1.00 0.00 C ATOM 755 C TYR A 54 -7.479 0.279 0.274 1.00 0.00 C ATOM 756 O TYR A 54 -7.722 0.680 -0.864 1.00 0.00 O ATOM 757 CB TYR A 54 -6.259 2.224 1.363 1.00 0.00 C ATOM 758 CG TYR A 54 -6.497 3.681 1.727 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.721 4.047 3.046 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.433 4.699 0.771 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.875 5.372 3.403 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.595 6.020 1.123 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.811 6.354 2.436 1.00 0.00 C ATOM 764 OH TYR A 54 -6.953 7.676 2.781 1.00 0.00 O ATOM 0 H TYR A 54 -6.566 0.440 3.167 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.385 1.876 1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.467 1.838 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.887 2.185 0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.776 3.283 3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.253 4.444 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.045 5.639 4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.552 6.791 0.368 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.880 8.233 1.978 1.00 0.00 H new ATOM 773 N VAL A 55 -7.199 -1.027 0.549 1.00 0.00 N ATOM 774 CA VAL A 55 -7.115 -2.063 -0.514 1.00 0.00 C ATOM 775 C VAL A 55 -7.700 -3.420 -0.108 1.00 0.00 C ATOM 776 O VAL A 55 -7.835 -3.729 1.076 1.00 0.00 O ATOM 777 CB VAL A 55 -5.662 -2.380 -0.917 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.951 -1.142 -1.413 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.904 -3.035 0.227 1.00 0.00 C ATOM 0 H VAL A 55 -7.030 -1.382 1.490 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.687 -1.616 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.693 -3.093 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.928 -1.396 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.475 -0.746 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.937 -0.390 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.882 -3.247 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.888 -2.363 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.398 -3.966 0.505 1.00 0.00 H new ATOM 789 N SER A 56 -8.041 -4.212 -1.118 1.00 0.00 N ATOM 790 CA SER A 56 -8.576 -5.555 -0.931 1.00 0.00 C ATOM 791 C SER A 56 -7.634 -6.598 -1.555 1.00 0.00 C ATOM 792 O SER A 56 -7.098 -6.381 -2.638 1.00 0.00 O ATOM 793 CB SER A 56 -9.942 -5.653 -1.585 1.00 0.00 C ATOM 794 OG SER A 56 -10.915 -6.144 -0.680 1.00 0.00 O ATOM 0 H SER A 56 -7.953 -3.938 -2.097 1.00 0.00 H new ATOM 0 HA SER A 56 -8.664 -5.753 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.244 -4.671 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.885 -6.311 -2.452 1.00 0.00 H new ATOM 0 HG SER A 56 -11.549 -5.429 -0.462 1.00 0.00 H new ATOM 799 N LEU A 57 -7.480 -7.748 -0.887 1.00 0.00 N ATOM 800 CA LEU A 57 -6.590 -8.804 -1.395 1.00 0.00 C ATOM 801 C LEU A 57 -7.289 -9.690 -2.417 1.00 0.00 C ATOM 802 O LEU A 57 -8.404 -10.161 -2.194 1.00 0.00 O ATOM 803 CB LEU A 57 -6.074 -9.692 -0.260 1.00 0.00 C ATOM 804 CG LEU A 57 -5.157 -9.011 0.754 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.821 -9.964 1.895 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.879 -8.529 0.081 1.00 0.00 C ATOM 0 H LEU A 57 -7.950 -7.971 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.754 -8.293 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.932 -10.103 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.538 -10.534 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.682 -8.148 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.167 -9.462 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.739 -10.268 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.316 -10.844 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.239 -8.047 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.354 -9.379 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.128 -7.816 -0.704 1.00 0.00 H new ATOM 817 N GLY A 58 -6.618 -9.906 -3.539 1.00 0.00 N ATOM 818 CA GLY A 58 -7.168 -10.732 -4.593 1.00 0.00 C ATOM 819 C GLY A 58 -6.953 -12.217 -4.337 1.00 0.00 C ATOM 820 O GLY A 58 -7.265 -13.047 -5.191 1.00 0.00 O ATOM 0 H GLY A 58 -5.695 -9.520 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.236 -10.533 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.708 -10.459 -5.543 1.00 0.00 H new ATOM 824 N ASN A 59 -6.427 -12.556 -3.157 1.00 0.00 N ATOM 825 CA ASN A 59 -6.170 -13.948 -2.803 1.00 0.00 C ATOM 826 C ASN A 59 -5.585 -14.055 -1.393 1.00 0.00 C ATOM 827 O ASN A 59 -6.068 -14.837 -0.577 1.00 0.00 O ATOM 828 CB ASN A 59 -5.248 -14.612 -3.847 1.00 0.00 C ATOM 829 CG ASN A 59 -3.765 -14.496 -3.531 1.00 0.00 C ATOM 830 OD1 ASN A 59 -3.215 -13.397 -3.460 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.115 -15.639 -3.338 1.00 0.00 N ATOM 0 H ASN A 59 -6.172 -11.884 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.119 -14.484 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.510 -15.667 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.437 -14.161 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.118 -15.629 -3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.613 -16.527 -3.407 1.00 0.00 H new