USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 609 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 55 ASN : amide:sc= -0.307 K(o=-0.29,f=-0.91) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -175:sc= 0.0193 (180deg=0.0176) USER MOD Set 2.1: A 13 SER OG : rot 114:sc= -1.82! USER MOD Set 2.2: A 16 GLN : amide:sc= -0.524 K(o=-2.3,f=-7.8!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= -0.306 (180deg=-1.55!) USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= 0.603 (180deg=0.478) USER MOD Single : A 5 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.051) USER MOD Single : A 10 THR OG1 : rot -119:sc= 0.322 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.39 K(o=-2.4,f=-4.1!) USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.588 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.7!) USER MOD Single : A 45 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.36 K(o=-1.4,f=-3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.366 USER MOD Single : A 63 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.76) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.5) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.514 -0.659 -2.302 1.00 0.00 N ATOM 2 CA GLY A 1 2.721 -0.256 -1.604 1.00 0.00 C ATOM 3 C GLY A 1 3.155 1.151 -1.961 1.00 0.00 C ATOM 4 O GLY A 1 2.990 2.091 -1.184 1.00 0.00 O ATOM 0 H1 GLY A 1 0.806 -0.982 -1.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.135 0.149 -2.835 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.735 -1.434 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.553 -0.319 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.525 -0.952 -1.843 1.00 0.00 H new ATOM 8 N PRO A 2 3.726 1.310 -3.165 1.00 0.00 N ATOM 9 CA PRO A 2 4.198 2.610 -3.651 1.00 0.00 C ATOM 10 C PRO A 2 3.050 3.565 -3.960 1.00 0.00 C ATOM 11 O PRO A 2 2.695 3.769 -5.121 1.00 0.00 O ATOM 12 CB PRO A 2 4.958 2.255 -4.931 1.00 0.00 C ATOM 13 CG PRO A 2 4.349 0.975 -5.390 1.00 0.00 C ATOM 14 CD PRO A 2 3.954 0.234 -4.143 1.00 0.00 C ATOM 0 HA PRO A 2 4.805 3.127 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.852 3.036 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.025 2.140 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.482 1.161 -6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.058 0.395 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.056 -0.365 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.739 -0.448 -3.815 1.00 0.00 H new ATOM 22 N ARG A 3 2.474 4.149 -2.914 1.00 0.00 N ATOM 23 CA ARG A 3 1.366 5.082 -3.075 1.00 0.00 C ATOM 24 C ARG A 3 0.901 5.613 -1.721 1.00 0.00 C ATOM 25 O ARG A 3 0.762 4.856 -0.760 1.00 0.00 O ATOM 26 CB ARG A 3 0.200 4.403 -3.796 1.00 0.00 C ATOM 27 CG ARG A 3 -0.105 3.006 -3.280 1.00 0.00 C ATOM 28 CD ARG A 3 -1.446 2.504 -3.790 1.00 0.00 C ATOM 29 NE ARG A 3 -1.803 1.211 -3.212 1.00 0.00 N ATOM 30 CZ ARG A 3 -2.949 0.587 -3.458 1.00 0.00 C ATOM 31 NH1 ARG A 3 -3.845 1.135 -4.267 1.00 0.00 N ATOM 32 NH2 ARG A 3 -3.201 -0.587 -2.894 1.00 0.00 N ATOM 0 H ARG A 3 2.757 3.992 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 3 1.716 5.922 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.691 5.022 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.426 4.347 -4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.684 2.321 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.108 3.012 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.220 3.233 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.412 2.418 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.135 0.763 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.655 2.038 -4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.725 0.654 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.514 -1.011 -2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.082 -1.065 -3.084 1.00 0.00 H new ATOM 46 N LYS A 4 0.664 6.918 -1.653 1.00 0.00 N ATOM 47 CA LYS A 4 0.214 7.552 -0.419 1.00 0.00 C ATOM 48 C LYS A 4 -1.285 7.828 -0.464 1.00 0.00 C ATOM 49 O LYS A 4 -1.937 7.937 0.574 1.00 0.00 O ATOM 50 CB LYS A 4 0.977 8.857 -0.185 1.00 0.00 C ATOM 51 CG LYS A 4 0.881 9.370 1.242 1.00 0.00 C ATOM 52 CD LYS A 4 -0.219 10.408 1.388 1.00 0.00 C ATOM 53 CE LYS A 4 0.138 11.455 2.432 1.00 0.00 C ATOM 54 NZ LYS A 4 0.931 12.572 1.847 1.00 0.00 N ATOM 0 H LYS A 4 0.776 7.559 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 4 0.415 6.868 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.026 8.705 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.593 9.619 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.688 8.536 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.835 9.806 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.392 10.894 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.150 9.916 1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.775 11.851 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.707 10.988 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.423 13.084 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.630 12.189 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.295 13.224 1.346 1.00 0.00 H new ATOM 68 N ASN A 5 -1.826 7.938 -1.673 1.00 0.00 N ATOM 69 CA ASN A 5 -3.250 8.200 -1.853 1.00 0.00 C ATOM 70 C ASN A 5 -3.834 7.306 -2.941 1.00 0.00 C ATOM 71 O ASN A 5 -4.656 6.432 -2.666 1.00 0.00 O ATOM 72 CB ASN A 5 -3.478 9.671 -2.208 1.00 0.00 C ATOM 73 CG ASN A 5 -3.578 10.554 -0.979 1.00 0.00 C ATOM 74 OD1 ASN A 5 -2.887 11.567 -0.871 1.00 0.00 O ATOM 75 ND2 ASN A 5 -4.441 10.171 -0.045 1.00 0.00 N ATOM 0 H ASN A 5 -1.300 7.850 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.757 7.977 -0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.660 10.021 -2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.393 9.763 -2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.552 10.724 0.805 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.993 9.324 -0.177 1.00 0.00 H new ATOM 82 N ARG A 6 -3.405 7.531 -4.179 1.00 0.00 N ATOM 83 CA ARG A 6 -3.886 6.747 -5.309 1.00 0.00 C ATOM 84 C ARG A 6 -3.018 6.980 -6.542 1.00 0.00 C ATOM 85 O ARG A 6 -2.746 6.055 -7.307 1.00 0.00 O ATOM 86 CB ARG A 6 -5.340 7.102 -5.622 1.00 0.00 C ATOM 87 CG ARG A 6 -5.577 8.592 -5.807 1.00 0.00 C ATOM 88 CD ARG A 6 -6.731 9.084 -4.948 1.00 0.00 C ATOM 89 NE ARG A 6 -7.398 10.242 -5.537 1.00 0.00 N ATOM 90 CZ ARG A 6 -8.489 10.801 -5.026 1.00 0.00 C ATOM 91 NH1 ARG A 6 -9.033 10.311 -3.921 1.00 0.00 N ATOM 92 NH2 ARG A 6 -9.037 11.853 -5.620 1.00 0.00 N ATOM 0 H ARG A 6 -2.725 8.250 -4.424 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.827 5.693 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.646 6.579 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.976 6.739 -4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.671 9.140 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.788 8.800 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.453 8.278 -4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.359 9.345 -3.957 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.004 10.644 -6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.614 9.503 -3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.871 10.742 -3.531 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.620 12.233 -6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.875 12.282 -5.227 1.00 0.00 H new ATOM 106 N ARG A 7 -2.586 8.224 -6.729 1.00 0.00 N ATOM 107 CA ARG A 7 -1.751 8.579 -7.869 1.00 0.00 C ATOM 108 C ARG A 7 -0.341 8.020 -7.706 1.00 0.00 C ATOM 109 O ARG A 7 0.061 7.635 -6.608 1.00 0.00 O ATOM 110 CB ARG A 7 -1.692 10.100 -8.031 1.00 0.00 C ATOM 111 CG ARG A 7 -2.034 10.576 -9.433 1.00 0.00 C ATOM 112 CD ARG A 7 -2.368 12.060 -9.451 1.00 0.00 C ATOM 113 NE ARG A 7 -3.767 12.302 -9.794 1.00 0.00 N ATOM 114 CZ ARG A 7 -4.261 12.143 -11.017 1.00 0.00 C ATOM 115 NH1 ARG A 7 -3.475 11.744 -12.007 1.00 0.00 N ATOM 116 NH2 ARG A 7 -5.545 12.384 -11.251 1.00 0.00 N ATOM 0 H ARG A 7 -2.801 9.002 -6.105 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.196 8.141 -8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.381 10.560 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.691 10.446 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.193 10.383 -10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.881 10.006 -9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.155 12.491 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.725 12.568 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.399 12.610 -9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.488 11.558 -11.831 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.858 11.623 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.153 12.691 -10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.924 12.262 -12.190 1.00 0.00 H new ATOM 130 N GLU A 8 0.405 7.978 -8.806 1.00 0.00 N ATOM 131 CA GLU A 8 1.769 7.464 -8.784 1.00 0.00 C ATOM 132 C GLU A 8 2.414 7.573 -10.162 1.00 0.00 C ATOM 133 O GLU A 8 1.740 7.849 -11.155 1.00 0.00 O ATOM 134 CB GLU A 8 1.782 6.007 -8.317 1.00 0.00 C ATOM 135 CG GLU A 8 0.610 5.191 -8.836 1.00 0.00 C ATOM 136 CD GLU A 8 0.635 3.756 -8.347 1.00 0.00 C ATOM 137 OE1 GLU A 8 1.345 3.480 -7.357 1.00 0.00 O ATOM 138 OE2 GLU A 8 -0.055 2.910 -8.952 1.00 0.00 O ATOM 0 H GLU A 8 0.088 8.294 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 8 2.345 8.068 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.712 5.539 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.776 5.983 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.322 5.661 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.621 5.200 -9.926 1.00 0.00 H new ATOM 145 N ARG A 9 3.724 7.355 -10.215 1.00 0.00 N ATOM 146 CA ARG A 9 4.461 7.431 -11.471 1.00 0.00 C ATOM 147 C ARG A 9 3.880 6.467 -12.501 1.00 0.00 C ATOM 148 O ARG A 9 3.988 6.690 -13.707 1.00 0.00 O ATOM 149 CB ARG A 9 5.940 7.116 -11.238 1.00 0.00 C ATOM 150 CG ARG A 9 6.853 7.629 -12.340 1.00 0.00 C ATOM 151 CD ARG A 9 6.984 6.620 -13.470 1.00 0.00 C ATOM 152 NE ARG A 9 6.949 7.260 -14.782 1.00 0.00 N ATOM 153 CZ ARG A 9 7.077 6.598 -15.927 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.246 5.283 -15.920 1.00 0.00 N ATOM 155 NH2 ARG A 9 7.034 7.251 -17.081 1.00 0.00 N ATOM 0 H ARG A 9 4.297 7.124 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 9 4.369 8.446 -11.857 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.250 7.552 -10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.063 6.037 -11.149 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.460 8.567 -12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.838 7.844 -11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.919 6.071 -13.359 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.177 5.891 -13.401 1.00 0.00 H new ATOM 0 HE ARG A 9 6.819 8.271 -14.822 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.278 4.778 -15.035 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.344 4.777 -16.800 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.903 8.262 -17.090 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.132 6.742 -17.959 1.00 0.00 H new ATOM 169 N THR A 10 3.265 5.392 -12.017 1.00 0.00 N ATOM 170 CA THR A 10 2.669 4.393 -12.895 1.00 0.00 C ATOM 171 C THR A 10 1.942 3.320 -12.093 1.00 0.00 C ATOM 172 O THR A 10 1.770 3.445 -10.880 1.00 0.00 O ATOM 173 CB THR A 10 3.731 3.721 -13.785 1.00 0.00 C ATOM 174 OG1 THR A 10 3.098 3.029 -14.866 1.00 0.00 O ATOM 175 CG2 THR A 10 4.576 2.747 -12.978 1.00 0.00 C ATOM 0 H THR A 10 3.167 5.191 -11.022 1.00 0.00 H new ATOM 0 HA THR A 10 1.953 4.917 -13.529 1.00 0.00 H new ATOM 0 HB THR A 10 4.383 4.498 -14.184 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.313 2.074 -14.814 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.319 2.285 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.080 3.283 -12.174 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.935 1.975 -12.553 1.00 0.00 H new ATOM 183 N THR A 11 1.517 2.262 -12.777 1.00 0.00 N ATOM 184 CA THR A 11 0.808 1.166 -12.128 1.00 0.00 C ATOM 185 C THR A 11 1.533 0.715 -10.865 1.00 0.00 C ATOM 186 O THR A 11 0.942 0.656 -9.786 1.00 0.00 O ATOM 187 CB THR A 11 0.650 -0.039 -13.074 1.00 0.00 C ATOM 188 OG1 THR A 11 1.935 -0.481 -13.523 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.215 0.324 -14.272 1.00 0.00 C ATOM 0 H THR A 11 1.652 2.141 -13.781 1.00 0.00 H new ATOM 0 HA THR A 11 -0.180 1.541 -11.862 1.00 0.00 H new ATOM 0 HB THR A 11 0.162 -0.844 -12.524 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.826 -1.248 -14.123 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.313 -0.542 -14.926 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.202 0.632 -13.928 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.249 1.143 -14.821 1.00 0.00 H new ATOM 197 N TYR A 12 2.815 0.397 -11.006 1.00 0.00 N ATOM 198 CA TYR A 12 3.620 -0.051 -9.876 1.00 0.00 C ATOM 199 C TYR A 12 5.109 0.076 -10.183 1.00 0.00 C ATOM 200 O TYR A 12 5.658 -0.688 -10.976 1.00 0.00 O ATOM 201 CB TYR A 12 3.282 -1.502 -9.526 1.00 0.00 C ATOM 202 CG TYR A 12 2.157 -1.637 -8.525 1.00 0.00 C ATOM 203 CD1 TYR A 12 2.336 -1.276 -7.195 1.00 0.00 C ATOM 204 CD2 TYR A 12 0.914 -2.125 -8.909 1.00 0.00 C ATOM 205 CE1 TYR A 12 1.311 -1.399 -6.277 1.00 0.00 C ATOM 206 CE2 TYR A 12 -0.117 -2.250 -7.999 1.00 0.00 C ATOM 207 CZ TYR A 12 0.086 -1.886 -6.684 1.00 0.00 C ATOM 208 OH TYR A 12 -0.938 -2.009 -5.773 1.00 0.00 O ATOM 0 H TYR A 12 3.319 0.441 -11.892 1.00 0.00 H new ATOM 0 HA TYR A 12 3.388 0.586 -9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.011 -2.033 -10.438 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.173 -1.988 -9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.293 -0.893 -6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.751 -2.412 -9.937 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.468 -1.116 -5.247 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.077 -2.631 -8.315 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.733 -2.366 -6.221 1.00 0.00 H new ATOM 218 N SER A 13 5.756 1.048 -9.547 1.00 0.00 N ATOM 219 CA SER A 13 7.181 1.279 -9.753 1.00 0.00 C ATOM 220 C SER A 13 7.882 1.565 -8.429 1.00 0.00 C ATOM 221 O SER A 13 7.243 1.933 -7.442 1.00 0.00 O ATOM 222 CB SER A 13 7.395 2.445 -10.719 1.00 0.00 C ATOM 223 OG SER A 13 6.297 3.341 -10.690 1.00 0.00 O ATOM 0 H SER A 13 5.316 1.688 -8.885 1.00 0.00 H new ATOM 0 HA SER A 13 7.612 0.375 -10.184 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.309 2.977 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.530 2.063 -11.731 1.00 0.00 H new ATOM 0 HG SER A 13 6.588 4.203 -10.325 1.00 0.00 H new ATOM 229 N ARG A 14 9.200 1.395 -8.415 1.00 0.00 N ATOM 230 CA ARG A 14 9.989 1.634 -7.213 1.00 0.00 C ATOM 231 C ARG A 14 10.265 3.123 -7.031 1.00 0.00 C ATOM 232 O ARG A 14 10.597 3.573 -5.934 1.00 0.00 O ATOM 233 CB ARG A 14 11.309 0.864 -7.282 1.00 0.00 C ATOM 234 CG ARG A 14 12.181 1.255 -8.463 1.00 0.00 C ATOM 235 CD ARG A 14 12.051 0.259 -9.605 1.00 0.00 C ATOM 236 NE ARG A 14 13.305 0.097 -10.336 1.00 0.00 N ATOM 237 CZ ARG A 14 14.329 -0.621 -9.889 1.00 0.00 C ATOM 238 NH1 ARG A 14 14.248 -1.241 -8.719 1.00 0.00 N ATOM 239 NH2 ARG A 14 15.438 -0.720 -10.611 1.00 0.00 N ATOM 0 H ARG A 14 9.744 1.092 -9.223 1.00 0.00 H new ATOM 0 HA ARG A 14 9.415 1.281 -6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.865 1.030 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.095 -0.203 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.899 2.249 -8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.222 1.312 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.735 -0.706 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.272 0.593 -10.291 1.00 0.00 H new ATOM 0 HE ARG A 14 13.400 0.561 -11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.398 -1.167 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.036 -1.792 -8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.505 -0.244 -11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 14 16.223 -1.272 -10.266 1.00 0.00 H new ATOM 253 N GLN A 15 10.127 3.882 -8.114 1.00 0.00 N ATOM 254 CA GLN A 15 10.364 5.320 -8.073 1.00 0.00 C ATOM 255 C GLN A 15 9.594 5.966 -6.926 1.00 0.00 C ATOM 256 O GLN A 15 10.157 6.728 -6.141 1.00 0.00 O ATOM 257 CB GLN A 15 9.958 5.962 -9.401 1.00 0.00 C ATOM 258 CG GLN A 15 10.827 5.536 -10.573 1.00 0.00 C ATOM 259 CD GLN A 15 10.251 4.354 -11.328 1.00 0.00 C ATOM 260 OE1 GLN A 15 9.281 4.492 -12.073 1.00 0.00 O ATOM 261 NE2 GLN A 15 10.848 3.183 -11.138 1.00 0.00 N ATOM 0 H GLN A 15 9.853 3.525 -9.029 1.00 0.00 H new ATOM 0 HA GLN A 15 11.429 5.483 -7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.921 5.706 -9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.004 7.046 -9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.945 6.376 -11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.822 5.279 -10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.650 3.115 -10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.505 2.352 -11.619 1.00 0.00 H new ATOM 270 N GLN A 16 8.304 5.657 -6.837 1.00 0.00 N ATOM 271 CA GLN A 16 7.458 6.209 -5.787 1.00 0.00 C ATOM 272 C GLN A 16 8.046 5.926 -4.408 1.00 0.00 C ATOM 273 O GLN A 16 7.904 6.728 -3.484 1.00 0.00 O ATOM 274 CB GLN A 16 6.046 5.628 -5.881 1.00 0.00 C ATOM 275 CG GLN A 16 5.300 6.044 -7.138 1.00 0.00 C ATOM 276 CD GLN A 16 5.614 5.155 -8.325 1.00 0.00 C ATOM 277 OE1 GLN A 16 6.633 5.330 -8.994 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.738 4.193 -8.594 1.00 0.00 N ATOM 0 H GLN A 16 7.823 5.028 -7.479 1.00 0.00 H new ATOM 0 HA GLN A 16 7.409 7.289 -5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.107 4.540 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.474 5.942 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.228 6.019 -6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.556 7.075 -7.383 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.907 4.083 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.897 3.564 -9.381 1.00 0.00 H new ATOM 287 N LEU A 17 8.706 4.781 -4.277 1.00 0.00 N ATOM 288 CA LEU A 17 9.316 4.391 -3.010 1.00 0.00 C ATOM 289 C LEU A 17 10.751 4.901 -2.917 1.00 0.00 C ATOM 290 O LEU A 17 11.369 4.852 -1.854 1.00 0.00 O ATOM 291 CB LEU A 17 9.294 2.869 -2.858 1.00 0.00 C ATOM 292 CG LEU A 17 7.910 2.225 -2.755 1.00 0.00 C ATOM 293 CD1 LEU A 17 7.898 0.873 -3.450 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.497 2.082 -1.297 1.00 0.00 C ATOM 0 H LEU A 17 8.833 4.107 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 17 8.737 4.840 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.814 2.431 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.863 2.604 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 17 7.190 2.873 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.906 0.430 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.150 1.003 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.630 0.216 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.510 1.622 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.219 1.455 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.465 3.066 -0.830 1.00 0.00 H new ATOM 306 N GLU A 18 11.272 5.394 -4.036 1.00 0.00 N ATOM 307 CA GLU A 18 12.634 5.915 -4.079 1.00 0.00 C ATOM 308 C GLU A 18 12.724 7.261 -3.366 1.00 0.00 C ATOM 309 O GLU A 18 13.685 7.530 -2.644 1.00 0.00 O ATOM 310 CB GLU A 18 13.102 6.060 -5.528 1.00 0.00 C ATOM 311 CG GLU A 18 13.425 4.736 -6.200 1.00 0.00 C ATOM 312 CD GLU A 18 14.892 4.368 -6.087 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.271 3.747 -5.072 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.660 4.700 -7.014 1.00 0.00 O ATOM 0 H GLU A 18 10.773 5.444 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 18 13.284 5.207 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.328 6.569 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.987 6.696 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.821 3.948 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.148 4.790 -7.253 1.00 0.00 H new ATOM 321 N ILE A 19 11.717 8.102 -3.574 1.00 0.00 N ATOM 322 CA ILE A 19 11.682 9.420 -2.952 1.00 0.00 C ATOM 323 C ILE A 19 12.086 9.345 -1.483 1.00 0.00 C ATOM 324 O ILE A 19 12.783 10.224 -0.974 1.00 0.00 O ATOM 325 CB ILE A 19 10.282 10.055 -3.056 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.798 10.039 -4.507 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.304 11.476 -2.514 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.601 9.143 -4.735 1.00 0.00 C ATOM 0 H ILE A 19 10.914 7.894 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 19 12.395 10.043 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 19 9.587 9.469 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.543 11.055 -4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.615 9.711 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.308 11.911 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.611 11.462 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.009 12.075 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.313 9.181 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.857 8.118 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.769 9.483 -4.118 1.00 0.00 H new ATOM 340 N LEU A 20 11.645 8.289 -0.807 1.00 0.00 N ATOM 341 CA LEU A 20 11.962 8.097 0.603 1.00 0.00 C ATOM 342 C LEU A 20 13.199 7.220 0.769 1.00 0.00 C ATOM 343 O LEU A 20 14.216 7.660 1.306 1.00 0.00 O ATOM 344 CB LEU A 20 10.775 7.467 1.332 1.00 0.00 C ATOM 345 CG LEU A 20 9.405 7.668 0.683 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.203 9.127 0.303 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.257 6.772 -0.538 1.00 0.00 C ATOM 0 H LEU A 20 11.067 7.553 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 20 12.171 9.074 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.958 6.396 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.739 7.872 2.343 1.00 0.00 H new ATOM 0 HG LEU A 20 8.638 7.393 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.223 9.251 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.265 9.748 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.976 9.429 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.276 6.928 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.032 7.016 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.357 5.729 -0.238 1.00 0.00 H new ATOM 359 N GLU A 21 13.105 5.979 0.303 1.00 0.00 N ATOM 360 CA GLU A 21 14.218 5.041 0.399 1.00 0.00 C ATOM 361 C GLU A 21 15.534 5.718 0.026 1.00 0.00 C ATOM 362 O GLU A 21 16.600 5.341 0.513 1.00 0.00 O ATOM 363 CB GLU A 21 13.977 3.835 -0.510 1.00 0.00 C ATOM 364 CG GLU A 21 14.388 2.511 0.113 1.00 0.00 C ATOM 365 CD GLU A 21 14.682 1.445 -0.924 1.00 0.00 C ATOM 366 OE1 GLU A 21 14.203 1.581 -2.069 1.00 0.00 O ATOM 367 OE2 GLU A 21 15.392 0.473 -0.590 1.00 0.00 O ATOM 0 H GLU A 21 12.271 5.600 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 21 14.285 4.701 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.919 3.792 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.528 3.976 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.272 2.664 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.593 2.162 0.772 1.00 0.00 H new ATOM 374 N THR A 22 15.451 6.721 -0.844 1.00 0.00 N ATOM 375 CA THR A 22 16.634 7.450 -1.284 1.00 0.00 C ATOM 376 C THR A 22 16.892 8.665 -0.401 1.00 0.00 C ATOM 377 O THR A 22 17.993 8.843 0.121 1.00 0.00 O ATOM 378 CB THR A 22 16.495 7.913 -2.747 1.00 0.00 C ATOM 379 OG1 THR A 22 16.149 6.802 -3.582 1.00 0.00 O ATOM 380 CG2 THR A 22 17.790 8.540 -3.241 1.00 0.00 C ATOM 0 H THR A 22 14.577 7.046 -1.257 1.00 0.00 H new ATOM 0 HA THR A 22 17.476 6.763 -1.206 1.00 0.00 H new ATOM 0 HB THR A 22 15.705 8.663 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.192 6.610 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.668 8.859 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.036 9.403 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.595 7.808 -3.180 1.00 0.00 H new ATOM 388 N LEU A 23 15.870 9.498 -0.236 1.00 0.00 N ATOM 389 CA LEU A 23 15.986 10.697 0.586 1.00 0.00 C ATOM 390 C LEU A 23 16.032 10.339 2.068 1.00 0.00 C ATOM 391 O LEU A 23 17.039 10.560 2.741 1.00 0.00 O ATOM 392 CB LEU A 23 14.814 11.642 0.314 1.00 0.00 C ATOM 393 CG LEU A 23 14.954 13.061 0.864 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.997 14.006 0.154 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.706 13.078 2.366 1.00 0.00 C ATOM 0 H LEU A 23 14.952 9.365 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 23 16.917 11.199 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.667 11.705 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.911 11.199 0.734 1.00 0.00 H new ATOM 0 HG LEU A 23 15.973 13.402 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.111 15.011 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.221 14.017 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.972 13.668 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.810 14.096 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.699 12.716 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.432 12.433 2.862 1.00 0.00 H new ATOM 407 N PHE A 24 14.934 9.784 2.572 1.00 0.00 N ATOM 408 CA PHE A 24 14.849 9.393 3.974 1.00 0.00 C ATOM 409 C PHE A 24 16.121 8.678 4.418 1.00 0.00 C ATOM 410 O PHE A 24 16.591 8.863 5.539 1.00 0.00 O ATOM 411 CB PHE A 24 13.636 8.489 4.201 1.00 0.00 C ATOM 412 CG PHE A 24 13.581 7.894 5.579 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.292 8.685 6.679 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.820 6.543 5.774 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.240 8.141 7.948 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.770 5.993 7.041 1.00 0.00 C ATOM 417 CZ PHE A 24 13.480 6.793 8.129 1.00 0.00 C ATOM 0 H PHE A 24 14.091 9.595 2.030 1.00 0.00 H new ATOM 0 HA PHE A 24 14.735 10.298 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.727 9.064 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.651 7.684 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.105 9.740 6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.048 5.913 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.012 8.769 8.797 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.958 4.939 7.180 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.441 6.365 9.120 1.00 0.00 H new ATOM 427 N ASN A 25 16.673 7.858 3.528 1.00 0.00 N ATOM 428 CA ASN A 25 17.890 7.113 3.828 1.00 0.00 C ATOM 429 C ASN A 25 19.121 8.006 3.697 1.00 0.00 C ATOM 430 O ASN A 25 20.033 7.946 4.521 1.00 0.00 O ATOM 431 CB ASN A 25 18.019 5.909 2.893 1.00 0.00 C ATOM 432 CG ASN A 25 19.101 4.944 3.338 1.00 0.00 C ATOM 433 OD1 ASN A 25 20.212 4.953 2.807 1.00 0.00 O ATOM 434 ND2 ASN A 25 18.781 4.107 4.318 1.00 0.00 N ATOM 0 H ASN A 25 16.297 7.693 2.594 1.00 0.00 H new ATOM 0 HA ASN A 25 17.826 6.761 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.065 5.384 2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.240 6.258 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.469 3.436 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.848 4.135 4.729 1.00 0.00 H new ATOM 441 N GLU A 26 19.137 8.833 2.657 1.00 0.00 N ATOM 442 CA GLU A 26 20.256 9.738 2.419 1.00 0.00 C ATOM 443 C GLU A 26 20.547 10.581 3.657 1.00 0.00 C ATOM 444 O GLU A 26 21.697 10.709 4.079 1.00 0.00 O ATOM 445 CB GLU A 26 19.958 10.650 1.226 1.00 0.00 C ATOM 446 CG GLU A 26 20.567 10.164 -0.078 1.00 0.00 C ATOM 447 CD GLU A 26 22.001 10.624 -0.259 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.226 11.849 -0.339 1.00 0.00 O ATOM 449 OE2 GLU A 26 22.897 9.756 -0.321 1.00 0.00 O ATOM 0 H GLU A 26 18.389 8.895 1.966 1.00 0.00 H new ATOM 0 HA GLU A 26 21.136 9.135 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 26 18.878 10.734 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.333 11.651 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.532 9.075 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 26 19.966 10.525 -0.912 1.00 0.00 H new ATOM 456 N THR A 27 19.496 11.154 4.236 1.00 0.00 N ATOM 457 CA THR A 27 19.638 11.986 5.424 1.00 0.00 C ATOM 458 C THR A 27 18.284 12.505 5.896 1.00 0.00 C ATOM 459 O THR A 27 17.281 12.373 5.196 1.00 0.00 O ATOM 460 CB THR A 27 20.572 13.183 5.164 1.00 0.00 C ATOM 461 OG1 THR A 27 20.772 13.351 3.757 1.00 0.00 O ATOM 462 CG2 THR A 27 21.914 12.981 5.853 1.00 0.00 C ATOM 0 H THR A 27 18.537 11.057 3.901 1.00 0.00 H new ATOM 0 HA THR A 27 20.074 11.357 6.200 1.00 0.00 H new ATOM 0 HB THR A 27 20.103 14.078 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.366 14.115 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.557 13.839 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.760 12.883 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.387 12.077 5.470 1.00 0.00 H new ATOM 470 N GLN A 28 18.265 13.096 7.087 1.00 0.00 N ATOM 471 CA GLN A 28 17.034 13.635 7.651 1.00 0.00 C ATOM 472 C GLN A 28 16.948 15.142 7.432 1.00 0.00 C ATOM 473 O GLN A 28 16.604 15.894 8.344 1.00 0.00 O ATOM 474 CB GLN A 28 16.952 13.320 9.146 1.00 0.00 C ATOM 475 CG GLN A 28 17.006 11.833 9.458 1.00 0.00 C ATOM 476 CD GLN A 28 16.719 11.532 10.915 1.00 0.00 C ATOM 477 OE1 GLN A 28 17.619 11.178 11.677 1.00 0.00 O ATOM 478 NE2 GLN A 28 15.459 11.671 11.312 1.00 0.00 N ATOM 0 H GLN A 28 19.087 13.213 7.679 1.00 0.00 H new ATOM 0 HA GLN A 28 16.194 13.164 7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.773 13.821 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.026 13.733 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.283 11.308 8.833 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.992 11.447 9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.744 11.967 10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.206 11.482 12.282 1.00 0.00 H new ATOM 487 N TYR A 29 17.264 15.577 6.217 1.00 0.00 N ATOM 488 CA TYR A 29 17.226 16.995 5.879 1.00 0.00 C ATOM 489 C TYR A 29 16.121 17.284 4.868 1.00 0.00 C ATOM 490 O TYR A 29 16.368 17.472 3.676 1.00 0.00 O ATOM 491 CB TYR A 29 18.576 17.443 5.318 1.00 0.00 C ATOM 492 CG TYR A 29 19.646 17.608 6.374 1.00 0.00 C ATOM 493 CD1 TYR A 29 20.061 16.529 7.145 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.244 18.842 6.599 1.00 0.00 C ATOM 495 CE1 TYR A 29 21.038 16.675 8.111 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.222 18.997 7.562 1.00 0.00 C ATOM 497 CZ TYR A 29 21.615 17.911 8.315 1.00 0.00 C ATOM 498 OH TYR A 29 22.589 18.060 9.276 1.00 0.00 O ATOM 0 H TYR A 29 17.549 14.968 5.450 1.00 0.00 H new ATOM 0 HA TYR A 29 17.015 17.555 6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.914 16.714 4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.446 18.390 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 29 19.612 15.560 6.986 1.00 0.00 H new ATOM 0 HD2 TYR A 29 19.939 19.695 6.011 1.00 0.00 H new ATOM 0 HE1 TYR A 29 21.348 15.826 8.703 1.00 0.00 H new ATOM 0 HE2 TYR A 29 21.676 19.963 7.724 1.00 0.00 H new ATOM 0 HH TYR A 29 22.893 18.992 9.292 1.00 0.00 H new ATOM 508 N PRO A 30 14.871 17.321 5.353 1.00 0.00 N ATOM 509 CA PRO A 30 13.702 17.588 4.510 1.00 0.00 C ATOM 510 C PRO A 30 13.659 19.031 4.018 1.00 0.00 C ATOM 511 O PRO A 30 12.919 19.857 4.553 1.00 0.00 O ATOM 512 CB PRO A 30 12.521 17.305 5.442 1.00 0.00 C ATOM 513 CG PRO A 30 13.059 17.524 6.813 1.00 0.00 C ATOM 514 CD PRO A 30 14.503 17.107 6.763 1.00 0.00 C ATOM 0 HA PRO A 30 13.704 16.980 3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.684 17.972 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.155 16.286 5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.965 18.569 7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.508 16.936 7.547 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.118 17.706 7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.631 16.066 7.058 1.00 0.00 H new ATOM 522 N ASP A 31 14.456 19.327 2.998 1.00 0.00 N ATOM 523 CA ASP A 31 14.508 20.671 2.433 1.00 0.00 C ATOM 524 C ASP A 31 14.382 20.626 0.913 1.00 0.00 C ATOM 525 O ASP A 31 14.317 19.551 0.316 1.00 0.00 O ATOM 526 CB ASP A 31 15.812 21.364 2.829 1.00 0.00 C ATOM 527 CG ASP A 31 15.656 22.867 2.951 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.537 23.368 2.713 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.651 23.541 3.286 1.00 0.00 O ATOM 0 H ASP A 31 15.075 18.655 2.545 1.00 0.00 H new ATOM 0 HA ASP A 31 13.668 21.240 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.161 20.960 3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.579 21.140 2.087 1.00 0.00 H new ATOM 534 N VAL A 32 14.346 21.801 0.293 1.00 0.00 N ATOM 535 CA VAL A 32 14.227 21.897 -1.157 1.00 0.00 C ATOM 536 C VAL A 32 15.289 21.053 -1.852 1.00 0.00 C ATOM 537 O VAL A 32 15.002 20.345 -2.818 1.00 0.00 O ATOM 538 CB VAL A 32 14.352 23.356 -1.636 1.00 0.00 C ATOM 539 CG1 VAL A 32 13.111 24.150 -1.258 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.604 24.000 -1.058 1.00 0.00 C ATOM 0 H VAL A 32 14.398 22.700 0.772 1.00 0.00 H new ATOM 0 HA VAL A 32 13.238 21.520 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 32 14.438 23.358 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.217 25.178 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.235 23.699 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.990 24.143 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.677 25.030 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.550 23.988 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.483 23.444 -1.384 1.00 0.00 H new ATOM 550 N PHE A 33 16.519 21.131 -1.354 1.00 0.00 N ATOM 551 CA PHE A 33 17.626 20.374 -1.928 1.00 0.00 C ATOM 552 C PHE A 33 17.304 18.883 -1.963 1.00 0.00 C ATOM 553 O PHE A 33 17.866 18.135 -2.762 1.00 0.00 O ATOM 554 CB PHE A 33 18.905 20.613 -1.124 1.00 0.00 C ATOM 555 CG PHE A 33 19.869 21.550 -1.794 1.00 0.00 C ATOM 556 CD1 PHE A 33 19.751 22.920 -1.630 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.893 21.059 -2.589 1.00 0.00 C ATOM 558 CE1 PHE A 33 20.636 23.784 -2.247 1.00 0.00 C ATOM 559 CE2 PHE A 33 21.781 21.918 -3.208 1.00 0.00 C ATOM 560 CZ PHE A 33 21.653 23.283 -3.036 1.00 0.00 C ATOM 0 H PHE A 33 16.774 21.711 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 33 17.779 20.719 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.640 21.015 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.400 19.657 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.959 23.318 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 33 20.998 19.993 -2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 33 20.532 24.851 -2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 33 22.574 21.523 -3.825 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.347 23.957 -3.517 1.00 0.00 H new ATOM 570 N ALA A 34 16.397 18.459 -1.089 1.00 0.00 N ATOM 571 CA ALA A 34 16.000 17.058 -1.021 1.00 0.00 C ATOM 572 C ALA A 34 14.869 16.760 -1.999 1.00 0.00 C ATOM 573 O ALA A 34 15.038 15.983 -2.940 1.00 0.00 O ATOM 574 CB ALA A 34 15.582 16.697 0.397 1.00 0.00 C ATOM 0 H ALA A 34 15.924 19.065 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 34 16.859 16.448 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.288 15.648 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.418 16.864 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.740 17.321 0.698 1.00 0.00 H new ATOM 580 N ARG A 35 13.716 17.380 -1.771 1.00 0.00 N ATOM 581 CA ARG A 35 12.557 17.179 -2.632 1.00 0.00 C ATOM 582 C ARG A 35 12.900 17.487 -4.087 1.00 0.00 C ATOM 583 O ARG A 35 12.538 16.736 -4.992 1.00 0.00 O ATOM 584 CB ARG A 35 11.395 18.062 -2.173 1.00 0.00 C ATOM 585 CG ARG A 35 11.752 19.536 -2.075 1.00 0.00 C ATOM 586 CD ARG A 35 10.614 20.346 -1.473 1.00 0.00 C ATOM 587 NE ARG A 35 11.055 21.142 -0.330 1.00 0.00 N ATOM 588 CZ ARG A 35 10.400 22.206 0.121 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.280 22.599 -0.471 1.00 0.00 N ATOM 590 NH2 ARG A 35 10.863 22.878 1.167 1.00 0.00 N ATOM 0 H ARG A 35 13.560 18.026 -0.997 1.00 0.00 H new ATOM 0 HA ARG A 35 12.260 16.133 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.563 17.944 -2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.049 17.715 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.647 19.655 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.989 19.921 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.196 21.005 -2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.816 19.673 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 35 11.913 20.866 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.920 22.084 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.779 23.416 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.723 22.578 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.359 23.695 1.512 1.00 0.00 H new ATOM 604 N GLU A 36 13.599 18.597 -4.302 1.00 0.00 N ATOM 605 CA GLU A 36 13.989 19.004 -5.647 1.00 0.00 C ATOM 606 C GLU A 36 14.919 17.972 -6.279 1.00 0.00 C ATOM 607 O GLU A 36 14.999 17.861 -7.503 1.00 0.00 O ATOM 608 CB GLU A 36 14.676 20.371 -5.611 1.00 0.00 C ATOM 609 CG GLU A 36 14.994 20.929 -6.988 1.00 0.00 C ATOM 610 CD GLU A 36 15.299 22.414 -6.960 1.00 0.00 C ATOM 611 OE1 GLU A 36 14.818 23.100 -6.034 1.00 0.00 O ATOM 612 OE2 GLU A 36 16.019 22.890 -7.862 1.00 0.00 O ATOM 0 H GLU A 36 13.906 19.230 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 36 13.086 19.075 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.035 21.076 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.600 20.289 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.848 20.394 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.150 20.748 -7.653 1.00 0.00 H new ATOM 619 N ARG A 37 15.620 17.221 -5.437 1.00 0.00 N ATOM 620 CA ARG A 37 16.545 16.199 -5.912 1.00 0.00 C ATOM 621 C ARG A 37 15.792 14.952 -6.365 1.00 0.00 C ATOM 622 O ARG A 37 15.829 14.583 -7.539 1.00 0.00 O ATOM 623 CB ARG A 37 17.544 15.834 -4.813 1.00 0.00 C ATOM 624 CG ARG A 37 18.559 14.785 -5.236 1.00 0.00 C ATOM 625 CD ARG A 37 18.948 13.886 -4.073 1.00 0.00 C ATOM 626 NE ARG A 37 20.172 13.137 -4.346 1.00 0.00 N ATOM 627 CZ ARG A 37 21.376 13.694 -4.409 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.518 14.998 -4.219 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.442 12.945 -4.662 1.00 0.00 N ATOM 0 H ARG A 37 15.565 17.301 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 37 17.087 16.605 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.073 16.734 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.997 15.469 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.144 14.180 -6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.448 15.276 -5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.086 14.491 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.136 13.190 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 37 20.098 12.131 -4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.701 15.577 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.444 15.423 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.337 11.941 -4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.366 13.373 -4.710 1.00 0.00 H new ATOM 643 N VAL A 38 15.110 14.305 -5.425 1.00 0.00 N ATOM 644 CA VAL A 38 14.347 13.099 -5.727 1.00 0.00 C ATOM 645 C VAL A 38 13.374 13.338 -6.876 1.00 0.00 C ATOM 646 O VAL A 38 13.002 12.408 -7.591 1.00 0.00 O ATOM 647 CB VAL A 38 13.562 12.609 -4.496 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.487 11.898 -3.521 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.853 13.773 -3.819 1.00 0.00 C ATOM 0 H VAL A 38 15.070 14.596 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 38 15.066 12.333 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 38 12.807 11.896 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.914 11.559 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.944 11.040 -4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.267 12.585 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.303 13.409 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.589 14.511 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.159 14.234 -4.521 1.00 0.00 H new ATOM 659 N ALA A 39 12.965 14.590 -7.047 1.00 0.00 N ATOM 660 CA ALA A 39 12.036 14.952 -8.111 1.00 0.00 C ATOM 661 C ALA A 39 12.578 14.541 -9.476 1.00 0.00 C ATOM 662 O ALA A 39 11.814 14.249 -10.395 1.00 0.00 O ATOM 663 CB ALA A 39 11.755 16.447 -8.081 1.00 0.00 C ATOM 0 H ALA A 39 13.262 15.371 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 39 11.103 14.415 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.060 16.703 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.317 16.716 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.687 16.995 -8.221 1.00 0.00 H new ATOM 669 N ASP A 40 13.901 14.522 -9.601 1.00 0.00 N ATOM 670 CA ASP A 40 14.545 14.147 -10.854 1.00 0.00 C ATOM 671 C ASP A 40 14.694 12.632 -10.956 1.00 0.00 C ATOM 672 O ASP A 40 14.931 12.095 -12.037 1.00 0.00 O ATOM 673 CB ASP A 40 15.916 14.816 -10.967 1.00 0.00 C ATOM 674 CG ASP A 40 16.410 14.884 -12.399 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.806 15.627 -13.201 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.401 14.195 -12.718 1.00 0.00 O ATOM 0 H ASP A 40 14.548 14.762 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 40 13.914 14.488 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.860 15.824 -10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.637 14.265 -10.363 1.00 0.00 H new ATOM 681 N GLN A 41 14.555 11.952 -9.823 1.00 0.00 N ATOM 682 CA GLN A 41 14.676 10.499 -9.786 1.00 0.00 C ATOM 683 C GLN A 41 13.399 9.833 -10.287 1.00 0.00 C ATOM 684 O GLN A 41 13.440 8.980 -11.174 1.00 0.00 O ATOM 685 CB GLN A 41 14.986 10.028 -8.364 1.00 0.00 C ATOM 686 CG GLN A 41 16.386 10.390 -7.895 1.00 0.00 C ATOM 687 CD GLN A 41 17.448 9.468 -8.460 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.137 8.468 -9.108 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.711 9.799 -8.218 1.00 0.00 N ATOM 0 H GLN A 41 14.359 12.383 -8.919 1.00 0.00 H new ATOM 0 HA GLN A 41 15.496 10.212 -10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.258 10.464 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.863 8.946 -8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.609 11.416 -8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.421 10.354 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.924 10.637 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.468 9.216 -8.574 1.00 0.00 H new ATOM 698 N ILE A 42 12.267 10.228 -9.714 1.00 0.00 N ATOM 699 CA ILE A 42 10.979 9.670 -10.104 1.00 0.00 C ATOM 700 C ILE A 42 10.344 10.484 -11.226 1.00 0.00 C ATOM 701 O ILE A 42 9.295 10.117 -11.756 1.00 0.00 O ATOM 702 CB ILE A 42 10.006 9.613 -8.911 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.399 10.994 -8.655 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.720 9.103 -7.669 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.313 10.991 -7.601 1.00 0.00 C ATOM 0 H ILE A 42 12.216 10.932 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 42 11.168 8.656 -10.457 1.00 0.00 H new ATOM 0 HB ILE A 42 9.199 8.921 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.190 11.678 -8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.988 11.380 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.019 9.069 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.109 8.102 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.544 9.772 -7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.929 12.003 -7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.503 10.332 -7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.724 10.636 -6.656 1.00 0.00 H new ATOM 717 N ARG A 43 10.987 11.590 -11.584 1.00 0.00 N ATOM 718 CA ARG A 43 10.486 12.457 -12.644 1.00 0.00 C ATOM 719 C ARG A 43 9.176 13.121 -12.229 1.00 0.00 C ATOM 720 O ARG A 43 8.138 12.919 -12.861 1.00 0.00 O ATOM 721 CB ARG A 43 10.279 11.656 -13.931 1.00 0.00 C ATOM 722 CG ARG A 43 10.147 12.523 -15.173 1.00 0.00 C ATOM 723 CD ARG A 43 11.440 13.263 -15.475 1.00 0.00 C ATOM 724 NE ARG A 43 12.145 12.689 -16.619 1.00 0.00 N ATOM 725 CZ ARG A 43 13.292 13.165 -17.089 1.00 0.00 C ATOM 726 NH1 ARG A 43 13.862 14.217 -16.518 1.00 0.00 N ATOM 727 NH2 ARG A 43 13.872 12.588 -18.134 1.00 0.00 N ATOM 0 H ARG A 43 11.857 11.907 -11.156 1.00 0.00 H new ATOM 0 HA ARG A 43 11.227 13.236 -12.824 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.118 10.973 -14.063 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.383 11.044 -13.828 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.875 11.901 -16.025 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.339 13.242 -15.032 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.219 14.312 -15.674 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.087 13.234 -14.599 1.00 0.00 H new ATOM 0 HE ARG A 43 11.734 11.878 -17.082 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.419 14.664 -15.715 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.743 14.580 -16.882 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.437 11.779 -18.576 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.753 12.954 -18.495 1.00 0.00 H new ATOM 741 N LEU A 44 9.232 13.913 -11.164 1.00 0.00 N ATOM 742 CA LEU A 44 8.050 14.607 -10.664 1.00 0.00 C ATOM 743 C LEU A 44 8.410 16.001 -10.161 1.00 0.00 C ATOM 744 O LEU A 44 9.583 16.318 -9.969 1.00 0.00 O ATOM 745 CB LEU A 44 7.397 13.799 -9.541 1.00 0.00 C ATOM 746 CG LEU A 44 5.997 14.246 -9.120 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.063 14.276 -10.320 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.447 13.328 -8.037 1.00 0.00 C ATOM 0 H LEU A 44 10.083 14.091 -10.630 1.00 0.00 H new ATOM 0 HA LEU A 44 7.343 14.709 -11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.345 12.756 -9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.047 13.838 -8.667 1.00 0.00 H new ATOM 0 HG LEU A 44 6.066 15.255 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.071 14.596 -10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.448 14.974 -11.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.999 13.279 -10.757 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.450 13.661 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.393 12.308 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.104 13.357 -7.168 1.00 0.00 H new ATOM 760 N GLN A 45 7.391 16.828 -9.947 1.00 0.00 N ATOM 761 CA GLN A 45 7.601 18.188 -9.465 1.00 0.00 C ATOM 762 C GLN A 45 8.356 18.186 -8.140 1.00 0.00 C ATOM 763 O GLN A 45 8.234 17.252 -7.348 1.00 0.00 O ATOM 764 CB GLN A 45 6.260 18.906 -9.300 1.00 0.00 C ATOM 765 CG GLN A 45 6.065 20.061 -10.268 1.00 0.00 C ATOM 766 CD GLN A 45 6.911 21.268 -9.916 1.00 0.00 C ATOM 767 OE1 GLN A 45 7.799 21.661 -10.674 1.00 0.00 O ATOM 768 NE2 GLN A 45 6.641 21.864 -8.761 1.00 0.00 N ATOM 0 H GLN A 45 6.413 16.580 -10.100 1.00 0.00 H new ATOM 0 HA GLN A 45 8.201 18.719 -10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.453 18.187 -9.438 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.181 19.281 -8.280 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.313 19.730 -11.277 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.014 20.349 -10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.896 21.505 -8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.178 22.681 -8.471 1.00 0.00 H new ATOM 777 N GLU A 46 9.137 19.236 -7.907 1.00 0.00 N ATOM 778 CA GLU A 46 9.913 19.353 -6.678 1.00 0.00 C ATOM 779 C GLU A 46 8.999 19.575 -5.476 1.00 0.00 C ATOM 780 O GLU A 46 9.184 18.969 -4.421 1.00 0.00 O ATOM 781 CB GLU A 46 10.916 20.503 -6.789 1.00 0.00 C ATOM 782 CG GLU A 46 10.275 21.839 -7.128 1.00 0.00 C ATOM 783 CD GLU A 46 11.158 22.702 -8.008 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.526 22.246 -9.111 1.00 0.00 O ATOM 785 OE2 GLU A 46 11.481 23.835 -7.593 1.00 0.00 O ATOM 0 H GLU A 46 9.249 20.018 -8.553 1.00 0.00 H new ATOM 0 HA GLU A 46 10.456 18.419 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.454 20.597 -5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.653 20.259 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.325 21.664 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.052 22.375 -6.206 1.00 0.00 H new ATOM 792 N SER A 47 8.012 20.449 -5.645 1.00 0.00 N ATOM 793 CA SER A 47 7.071 20.756 -4.574 1.00 0.00 C ATOM 794 C SER A 47 5.994 19.680 -4.472 1.00 0.00 C ATOM 795 O SER A 47 5.362 19.516 -3.429 1.00 0.00 O ATOM 796 CB SER A 47 6.423 22.121 -4.811 1.00 0.00 C ATOM 797 OG SER A 47 5.260 22.279 -4.016 1.00 0.00 O ATOM 0 H SER A 47 7.843 20.957 -6.513 1.00 0.00 H new ATOM 0 HA SER A 47 7.624 20.783 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.137 22.911 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.164 22.226 -5.865 1.00 0.00 H new ATOM 0 HG SER A 47 4.866 23.160 -4.185 1.00 0.00 H new ATOM 803 N ARG A 48 5.792 18.949 -5.564 1.00 0.00 N ATOM 804 CA ARG A 48 4.791 17.889 -5.599 1.00 0.00 C ATOM 805 C ARG A 48 5.312 16.627 -4.918 1.00 0.00 C ATOM 806 O ARG A 48 4.613 16.011 -4.113 1.00 0.00 O ATOM 807 CB ARG A 48 4.399 17.577 -7.044 1.00 0.00 C ATOM 808 CG ARG A 48 3.282 16.553 -7.165 1.00 0.00 C ATOM 809 CD ARG A 48 2.050 17.149 -7.829 1.00 0.00 C ATOM 810 NE ARG A 48 1.088 17.647 -6.850 1.00 0.00 N ATOM 811 CZ ARG A 48 -0.155 18.003 -7.157 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.583 17.915 -8.409 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.972 18.447 -6.211 1.00 0.00 N ATOM 0 H ARG A 48 6.308 19.071 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 48 3.911 18.236 -5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.089 18.500 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.276 17.211 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.631 15.698 -7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.019 16.181 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.351 17.963 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.573 16.393 -8.454 1.00 0.00 H new ATOM 0 HE ARG A 48 1.386 17.726 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.042 17.573 -9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.538 18.189 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.646 18.515 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.926 18.720 -6.448 1.00 0.00 H new ATOM 827 N ILE A 49 6.543 16.249 -5.246 1.00 0.00 N ATOM 828 CA ILE A 49 7.156 15.061 -4.666 1.00 0.00 C ATOM 829 C ILE A 49 7.097 15.100 -3.142 1.00 0.00 C ATOM 830 O ILE A 49 7.166 14.064 -2.482 1.00 0.00 O ATOM 831 CB ILE A 49 8.624 14.913 -5.107 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.973 13.436 -5.306 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.552 15.549 -4.083 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.376 13.212 -5.826 1.00 0.00 C ATOM 0 H ILE A 49 7.135 16.748 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 49 6.588 14.204 -5.028 1.00 0.00 H new ATOM 0 HB ILE A 49 8.756 15.430 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.858 12.913 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.261 12.993 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.586 15.436 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.316 16.609 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.420 15.059 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.554 12.143 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.490 13.707 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.096 13.625 -5.119 1.00 0.00 H new ATOM 846 N GLN A 50 6.968 16.303 -2.591 1.00 0.00 N ATOM 847 CA GLN A 50 6.898 16.476 -1.145 1.00 0.00 C ATOM 848 C GLN A 50 5.701 15.729 -0.564 1.00 0.00 C ATOM 849 O GLN A 50 5.737 15.272 0.578 1.00 0.00 O ATOM 850 CB GLN A 50 6.807 17.962 -0.793 1.00 0.00 C ATOM 851 CG GLN A 50 7.882 18.424 0.177 1.00 0.00 C ATOM 852 CD GLN A 50 7.817 19.913 0.455 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.237 20.676 -0.319 1.00 0.00 O ATOM 854 NE2 GLN A 50 8.412 20.335 1.565 1.00 0.00 N ATOM 0 H GLN A 50 6.910 17.171 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 50 7.807 16.061 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.879 18.549 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.827 18.165 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.778 17.878 1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.863 18.177 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.881 19.668 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.400 21.326 1.805 1.00 0.00 H new ATOM 863 N VAL A 51 4.642 15.609 -1.359 1.00 0.00 N ATOM 864 CA VAL A 51 3.435 14.917 -0.924 1.00 0.00 C ATOM 865 C VAL A 51 3.652 13.409 -0.878 1.00 0.00 C ATOM 866 O VAL A 51 3.098 12.717 -0.024 1.00 0.00 O ATOM 867 CB VAL A 51 2.246 15.225 -1.853 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.172 16.715 -2.150 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.354 14.422 -3.140 1.00 0.00 C ATOM 0 H VAL A 51 4.596 15.982 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 51 3.207 15.279 0.079 1.00 0.00 H new ATOM 0 HB VAL A 51 1.326 14.934 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.326 16.913 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.044 17.266 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.093 17.035 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.506 14.652 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.280 14.680 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.354 13.357 -2.906 1.00 0.00 H new ATOM 879 N TRP A 52 4.463 12.906 -1.802 1.00 0.00 N ATOM 880 CA TRP A 52 4.754 11.478 -1.867 1.00 0.00 C ATOM 881 C TRP A 52 5.898 11.113 -0.928 1.00 0.00 C ATOM 882 O TRP A 52 6.089 9.944 -0.591 1.00 0.00 O ATOM 883 CB TRP A 52 5.105 11.073 -3.300 1.00 0.00 C ATOM 884 CG TRP A 52 4.060 11.463 -4.300 1.00 0.00 C ATOM 885 CD1 TRP A 52 4.181 12.397 -5.290 1.00 0.00 C ATOM 886 CD2 TRP A 52 2.734 10.933 -4.407 1.00 0.00 C ATOM 887 NE1 TRP A 52 3.010 12.478 -6.005 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.108 11.590 -5.484 1.00 0.00 C ATOM 889 CE3 TRP A 52 2.017 9.965 -3.699 1.00 0.00 C ATOM 890 CZ2 TRP A 52 0.799 11.309 -5.866 1.00 0.00 C ATOM 891 CZ3 TRP A 52 0.717 9.688 -4.079 1.00 0.00 C ATOM 892 CH2 TRP A 52 0.119 10.358 -5.155 1.00 0.00 C ATOM 0 H TRP A 52 4.930 13.465 -2.516 1.00 0.00 H new ATOM 0 HA TRP A 52 3.863 10.936 -1.552 1.00 0.00 H new ATOM 0 HB2 TRP A 52 6.053 11.533 -3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.251 9.993 -3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.066 12.985 -5.482 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.841 13.099 -6.796 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.470 9.442 -2.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.336 11.824 -6.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.153 8.943 -3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.898 10.119 -5.428 1.00 0.00 H new ATOM 903 N PHE A 53 6.658 12.119 -0.508 1.00 0.00 N ATOM 904 CA PHE A 53 7.784 11.903 0.393 1.00 0.00 C ATOM 905 C PHE A 53 7.330 11.214 1.676 1.00 0.00 C ATOM 906 O PHE A 53 8.134 10.619 2.394 1.00 0.00 O ATOM 907 CB PHE A 53 8.460 13.234 0.727 1.00 0.00 C ATOM 908 CG PHE A 53 9.514 13.121 1.791 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.589 12.262 1.632 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.428 13.874 2.952 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.559 12.156 2.611 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.396 13.772 3.934 1.00 0.00 C ATOM 913 CZ PHE A 53 11.463 12.912 3.762 1.00 0.00 C ATOM 0 H PHE A 53 6.514 13.092 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 53 8.501 11.256 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.911 13.640 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.701 13.946 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.670 11.669 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.595 14.548 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.392 11.482 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.318 14.364 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.221 12.831 4.527 1.00 0.00 H new ATOM 923 N LYS A 54 6.034 11.300 1.960 1.00 0.00 N ATOM 924 CA LYS A 54 5.470 10.685 3.156 1.00 0.00 C ATOM 925 C LYS A 54 5.054 9.243 2.882 1.00 0.00 C ATOM 926 O LYS A 54 4.848 8.461 3.808 1.00 0.00 O ATOM 927 CB LYS A 54 4.265 11.490 3.648 1.00 0.00 C ATOM 928 CG LYS A 54 4.214 11.647 5.158 1.00 0.00 C ATOM 929 CD LYS A 54 2.806 11.442 5.692 1.00 0.00 C ATOM 930 CE LYS A 54 2.798 11.316 7.208 1.00 0.00 C ATOM 931 NZ LYS A 54 2.805 12.647 7.875 1.00 0.00 N ATOM 0 H LYS A 54 5.355 11.790 1.378 1.00 0.00 H new ATOM 0 HA LYS A 54 6.238 10.682 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.287 12.478 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.350 11.002 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.889 10.928 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.568 12.640 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.176 12.280 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.375 10.544 5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.916 10.757 7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.668 10.744 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.799 12.518 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.659 13.171 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.961 13.183 7.588 1.00 0.00 H new ATOM 945 N ASN A 55 4.935 8.899 1.604 1.00 0.00 N ATOM 946 CA ASN A 55 4.544 7.551 1.209 1.00 0.00 C ATOM 947 C ASN A 55 5.211 6.508 2.101 1.00 0.00 C ATOM 948 O ASN A 55 4.552 5.857 2.912 1.00 0.00 O ATOM 949 CB ASN A 55 4.914 7.298 -0.254 1.00 0.00 C ATOM 950 CG ASN A 55 4.780 5.838 -0.641 1.00 0.00 C ATOM 951 OD1 ASN A 55 3.804 5.178 -0.286 1.00 0.00 O ATOM 952 ND2 ASN A 55 5.763 5.327 -1.373 1.00 0.00 N ATOM 0 H ASN A 55 5.104 9.535 0.824 1.00 0.00 H new ATOM 0 HA ASN A 55 3.464 7.465 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.274 7.902 -0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.939 7.624 -0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.728 4.350 -1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.554 5.912 -1.645 1.00 0.00 H new ATOM 959 N ARG A 56 6.522 6.356 1.945 1.00 0.00 N ATOM 960 CA ARG A 56 7.279 5.392 2.736 1.00 0.00 C ATOM 961 C ARG A 56 7.714 6.002 4.065 1.00 0.00 C ATOM 962 O ARG A 56 7.672 5.343 5.104 1.00 0.00 O ATOM 963 CB ARG A 56 8.504 4.911 1.957 1.00 0.00 C ATOM 964 CG ARG A 56 8.944 3.503 2.322 1.00 0.00 C ATOM 965 CD ARG A 56 10.358 3.488 2.881 1.00 0.00 C ATOM 966 NE ARG A 56 10.589 2.339 3.752 1.00 0.00 N ATOM 967 CZ ARG A 56 11.759 2.073 4.324 1.00 0.00 C ATOM 968 NH1 ARG A 56 12.798 2.871 4.117 1.00 0.00 N ATOM 969 NH2 ARG A 56 11.891 1.009 5.104 1.00 0.00 N ATOM 0 H ARG A 56 7.082 6.888 1.279 1.00 0.00 H new ATOM 0 HA ARG A 56 6.631 4.540 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.283 4.948 0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.331 5.599 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.257 3.085 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.894 2.865 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.073 3.469 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.537 4.407 3.438 1.00 0.00 H new ATOM 0 HE ARG A 56 9.810 1.706 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.700 3.691 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.695 2.665 4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.094 0.393 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.789 0.806 5.542 1.00 0.00 H new ATOM 983 N ARG A 57 8.132 7.262 4.023 1.00 0.00 N ATOM 984 CA ARG A 57 8.577 7.960 5.223 1.00 0.00 C ATOM 985 C ARG A 57 7.564 7.799 6.353 1.00 0.00 C ATOM 986 O ARG A 57 7.927 7.788 7.529 1.00 0.00 O ATOM 987 CB ARG A 57 8.792 9.445 4.926 1.00 0.00 C ATOM 988 CG ARG A 57 9.145 10.268 6.154 1.00 0.00 C ATOM 989 CD ARG A 57 7.932 11.004 6.699 1.00 0.00 C ATOM 990 NE ARG A 57 7.975 11.129 8.154 1.00 0.00 N ATOM 991 CZ ARG A 57 8.707 12.035 8.792 1.00 0.00 C ATOM 992 NH1 ARG A 57 9.453 12.892 8.108 1.00 0.00 N ATOM 993 NH2 ARG A 57 8.694 12.086 10.118 1.00 0.00 N ATOM 0 H ARG A 57 8.172 7.821 3.171 1.00 0.00 H new ATOM 0 HA ARG A 57 9.522 7.519 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.589 9.548 4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.887 9.851 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.553 9.615 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.924 10.987 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.879 11.996 6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.025 10.474 6.407 1.00 0.00 H new ATOM 0 HE ARG A 57 7.412 10.485 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.466 12.857 7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.014 13.587 8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.121 11.429 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.257 12.782 10.607 1.00 0.00 H new ATOM 1007 N ALA A 58 6.292 7.673 5.987 1.00 0.00 N ATOM 1008 CA ALA A 58 5.227 7.511 6.969 1.00 0.00 C ATOM 1009 C ALA A 58 5.011 6.039 7.306 1.00 0.00 C ATOM 1010 O ALA A 58 4.660 5.695 8.435 1.00 0.00 O ATOM 1011 CB ALA A 58 3.937 8.132 6.456 1.00 0.00 C ATOM 0 H ALA A 58 5.975 7.680 5.018 1.00 0.00 H new ATOM 0 HA ALA A 58 5.527 8.026 7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.150 8.004 7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.093 9.195 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.642 7.643 5.528 1.00 0.00 H new ATOM 1017 N LYS A 59 5.223 5.174 6.320 1.00 0.00 N ATOM 1018 CA LYS A 59 5.052 3.739 6.511 1.00 0.00 C ATOM 1019 C LYS A 59 5.936 3.232 7.645 1.00 0.00 C ATOM 1020 O LYS A 59 5.672 2.180 8.229 1.00 0.00 O ATOM 1021 CB LYS A 59 5.381 2.988 5.219 1.00 0.00 C ATOM 1022 CG LYS A 59 4.162 2.404 4.527 1.00 0.00 C ATOM 1023 CD LYS A 59 3.114 3.469 4.250 1.00 0.00 C ATOM 1024 CE LYS A 59 2.612 3.398 2.816 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.740 4.555 2.476 1.00 0.00 N ATOM 0 H LYS A 59 5.514 5.442 5.380 1.00 0.00 H new ATOM 0 HA LYS A 59 4.011 3.555 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.887 3.667 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.080 2.183 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.464 1.937 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.730 1.620 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.276 3.344 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.537 4.455 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.462 3.371 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.058 2.471 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.350 4.427 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.961 4.616 3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.299 5.432 2.508 1.00 0.00 H new ATOM 1039 N TYR A 60 6.985 3.986 7.954 1.00 0.00 N ATOM 1040 CA TYR A 60 7.909 3.612 9.018 1.00 0.00 C ATOM 1041 C TYR A 60 7.154 3.254 10.294 1.00 0.00 C ATOM 1042 O TYR A 60 7.615 2.441 11.095 1.00 0.00 O ATOM 1043 CB TYR A 60 8.890 4.753 9.295 1.00 0.00 C ATOM 1044 CG TYR A 60 8.383 5.754 10.308 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.283 6.557 10.030 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.003 5.898 11.543 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.816 7.473 10.953 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.543 6.811 12.472 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.449 7.596 12.172 1.00 0.00 C ATOM 1050 OH TYR A 60 6.989 8.508 13.094 1.00 0.00 O ATOM 0 H TYR A 60 7.217 4.860 7.482 1.00 0.00 H new ATOM 0 HA TYR A 60 8.466 2.735 8.689 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.831 4.334 9.651 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.105 5.271 8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.785 6.463 9.076 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.860 5.285 11.781 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.960 8.089 10.721 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.037 6.910 13.427 1.00 0.00 H new ATOM 0 HH TYR A 60 7.545 8.467 13.900 1.00 0.00 H new ATOM 1060 N ARG A 61 5.989 3.867 10.476 1.00 0.00 N ATOM 1061 CA ARG A 61 5.168 3.615 11.655 1.00 0.00 C ATOM 1062 C ARG A 61 4.408 2.299 11.516 1.00 0.00 C ATOM 1063 O ARG A 61 4.282 1.539 12.477 1.00 0.00 O ATOM 1064 CB ARG A 61 4.183 4.765 11.872 1.00 0.00 C ATOM 1065 CG ARG A 61 3.778 4.954 13.325 1.00 0.00 C ATOM 1066 CD ARG A 61 3.060 6.277 13.536 1.00 0.00 C ATOM 1067 NE ARG A 61 3.895 7.418 13.166 1.00 0.00 N ATOM 1068 CZ ARG A 61 3.440 8.663 13.079 1.00 0.00 C ATOM 1069 NH1 ARG A 61 2.166 8.927 13.333 1.00 0.00 N ATOM 1070 NH2 ARG A 61 4.262 9.647 12.737 1.00 0.00 N ATOM 0 H ARG A 61 5.592 4.542 9.822 1.00 0.00 H new ATOM 0 HA ARG A 61 5.829 3.544 12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.630 5.689 11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.289 4.584 11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.129 4.134 13.633 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.664 4.915 13.959 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.144 6.291 12.945 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.766 6.367 14.582 1.00 0.00 H new ATOM 0 HE ARG A 61 4.880 7.249 12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.532 8.173 13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.820 9.884 13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.243 9.447 12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.913 10.603 12.670 1.00 0.00 H new ATOM 1084 N LEU A 62 3.903 2.037 10.316 1.00 0.00 N ATOM 1085 CA LEU A 62 3.154 0.813 10.051 1.00 0.00 C ATOM 1086 C LEU A 62 4.047 -0.414 10.202 1.00 0.00 C ATOM 1087 O LEU A 62 3.692 -1.370 10.892 1.00 0.00 O ATOM 1088 CB LEU A 62 2.555 0.853 8.645 1.00 0.00 C ATOM 1089 CG LEU A 62 1.261 0.063 8.444 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.496 -1.418 8.695 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.165 0.594 9.357 1.00 0.00 C ATOM 0 H LEU A 62 3.998 2.656 9.511 1.00 0.00 H new ATOM 0 HA LEU A 62 2.347 0.744 10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.366 1.894 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.300 0.477 7.944 1.00 0.00 H new ATOM 0 HG LEU A 62 0.938 0.188 7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.564 -1.964 8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.249 -1.790 8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.843 -1.563 9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.749 0.020 9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.480 0.499 10.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.022 1.643 9.129 1.00 0.00 H new ATOM 1103 N GLN A 63 5.207 -0.379 9.553 1.00 0.00 N ATOM 1104 CA GLN A 63 6.150 -1.489 9.617 1.00 0.00 C ATOM 1105 C GLN A 63 6.559 -1.775 11.058 1.00 0.00 C ATOM 1106 O GLN A 63 6.902 -2.905 11.403 1.00 0.00 O ATOM 1107 CB GLN A 63 7.389 -1.181 8.774 1.00 0.00 C ATOM 1108 CG GLN A 63 8.134 0.067 9.220 1.00 0.00 C ATOM 1109 CD GLN A 63 9.497 0.198 8.570 1.00 0.00 C ATOM 1110 OE1 GLN A 63 9.609 0.265 7.345 1.00 0.00 O ATOM 1111 NE2 GLN A 63 10.542 0.235 9.388 1.00 0.00 N ATOM 0 H GLN A 63 5.516 0.405 8.978 1.00 0.00 H new ATOM 0 HA GLN A 63 5.657 -2.375 9.217 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.067 -2.033 8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.089 -1.062 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.536 0.947 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.253 0.047 10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.402 0.176 10.397 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.484 0.322 9.008 1.00 0.00 H new ATOM 1120 N GLU A 64 6.521 -0.742 11.895 1.00 0.00 N ATOM 1121 CA GLU A 64 6.889 -0.883 13.298 1.00 0.00 C ATOM 1122 C GLU A 64 5.883 -1.760 14.039 1.00 0.00 C ATOM 1123 O GLU A 64 6.247 -2.772 14.639 1.00 0.00 O ATOM 1124 CB GLU A 64 6.973 0.491 13.967 1.00 0.00 C ATOM 1125 CG GLU A 64 7.932 0.536 15.145 1.00 0.00 C ATOM 1126 CD GLU A 64 7.751 1.778 15.996 1.00 0.00 C ATOM 1127 OE1 GLU A 64 6.604 2.257 16.110 1.00 0.00 O ATOM 1128 OE2 GLU A 64 8.757 2.270 16.549 1.00 0.00 O ATOM 0 H GLU A 64 6.239 0.200 11.625 1.00 0.00 H new ATOM 0 HA GLU A 64 7.867 -1.362 13.344 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.285 1.228 13.227 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.979 0.782 14.307 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.784 -0.349 15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.957 0.499 14.776 1.00 0.00 H new ATOM 1135 N LYS A 65 4.615 -1.364 13.993 1.00 0.00 N ATOM 1136 CA LYS A 65 3.555 -2.113 14.658 1.00 0.00 C ATOM 1137 C LYS A 65 3.204 -3.373 13.873 1.00 0.00 C ATOM 1138 O LYS A 65 2.467 -4.231 14.357 1.00 0.00 O ATOM 1139 CB LYS A 65 2.310 -1.238 14.821 1.00 0.00 C ATOM 1140 CG LYS A 65 1.732 -0.751 13.504 1.00 0.00 C ATOM 1141 CD LYS A 65 0.596 -1.643 13.030 1.00 0.00 C ATOM 1142 CE LYS A 65 -0.741 -1.192 13.598 1.00 0.00 C ATOM 1143 NZ LYS A 65 -1.723 -2.310 13.661 1.00 0.00 N ATOM 0 H LYS A 65 4.297 -0.529 13.502 1.00 0.00 H new ATOM 0 HA LYS A 65 3.916 -2.409 15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.547 -1.803 15.356 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.561 -0.376 15.439 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.370 0.270 13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.517 -0.727 12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.553 -1.631 11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.791 -2.673 13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.592 -0.783 14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.145 -0.388 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.621 -1.962 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.885 -2.684 12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.349 -3.066 14.269 1.00 0.00 H new ATOM 1157 N GLN A 66 3.739 -3.477 12.660 1.00 0.00 N ATOM 1158 CA GLN A 66 3.482 -4.634 11.810 1.00 0.00 C ATOM 1159 C GLN A 66 4.512 -5.730 12.057 1.00 0.00 C ATOM 1160 O GLN A 66 4.170 -6.835 12.479 1.00 0.00 O ATOM 1161 CB GLN A 66 3.499 -4.223 10.336 1.00 0.00 C ATOM 1162 CG GLN A 66 3.765 -5.380 9.386 1.00 0.00 C ATOM 1163 CD GLN A 66 3.022 -5.237 8.072 1.00 0.00 C ATOM 1164 OE1 GLN A 66 2.863 -4.133 7.552 1.00 0.00 O ATOM 1165 NE2 GLN A 66 2.562 -6.358 7.528 1.00 0.00 N ATOM 0 H GLN A 66 4.352 -2.775 12.245 1.00 0.00 H new ATOM 0 HA GLN A 66 2.496 -5.026 12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.541 -3.768 10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.263 -3.460 10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.835 -5.445 9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.472 -6.314 9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.717 -7.252 7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.054 -6.325 6.644 1.00 0.00 H new ATOM 1174 N LYS A 67 5.776 -5.419 11.790 1.00 0.00 N ATOM 1175 CA LYS A 67 6.858 -6.377 11.984 1.00 0.00 C ATOM 1176 C LYS A 67 7.107 -6.624 13.468 1.00 0.00 C ATOM 1177 O LYS A 67 6.770 -5.805 14.323 1.00 0.00 O ATOM 1178 CB LYS A 67 8.140 -5.871 11.318 1.00 0.00 C ATOM 1179 CG LYS A 67 8.142 -6.025 9.807 1.00 0.00 C ATOM 1180 CD LYS A 67 8.271 -7.482 9.395 1.00 0.00 C ATOM 1181 CE LYS A 67 7.961 -7.673 7.919 1.00 0.00 C ATOM 1182 NZ LYS A 67 8.833 -6.829 7.055 1.00 0.00 N ATOM 0 H LYS A 67 6.076 -4.510 11.438 1.00 0.00 H new ATOM 0 HA LYS A 67 6.563 -7.319 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.278 -4.819 11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.992 -6.411 11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.221 -5.610 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.966 -5.452 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.282 -7.832 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.593 -8.092 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.092 -8.722 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.916 -7.425 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.686 -7.086 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.593 -5.827 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.829 -6.985 7.310 1.00 0.00 H new ATOM 1196 N PRO A 68 7.713 -7.779 13.783 1.00 0.00 N ATOM 1197 CA PRO A 68 8.022 -8.159 15.164 1.00 0.00 C ATOM 1198 C PRO A 68 9.128 -7.300 15.768 1.00 0.00 C ATOM 1199 O PRO A 68 9.396 -6.195 15.297 1.00 0.00 O ATOM 1200 CB PRO A 68 8.483 -9.613 15.037 1.00 0.00 C ATOM 1201 CG PRO A 68 8.990 -9.729 13.641 1.00 0.00 C ATOM 1202 CD PRO A 68 8.143 -8.801 12.815 1.00 0.00 C ATOM 0 HA PRO A 68 7.166 -8.025 15.825 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.263 -9.846 15.762 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.662 -10.306 15.219 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.043 -9.452 13.584 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.910 -10.755 13.281 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.710 -8.363 11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.292 -9.320 12.374 1.00 0.00 H new TER 1210 PRO A 68