USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 124 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 51 HIS : no HE2:sc= 0.194 K(o=0.36,f=-2.1) USER MOD Set 1.2: A 55 GLN : amide:sc= 0.165 K(o=0.36,f=-1.2) USER MOD Set 2.1: A 21 TYR OH : rot 30:sc= 0.473 USER MOD Set 2.2: A 49 LYS NZ :NH3+ -165:sc= 0.51 (180deg=0) USER MOD Set 3.1: A 5 LYS NZ :NH3+ 179:sc= 0.528 (180deg=0) USER MOD Set 3.2: A 11 GLN : amide:sc= 0.411 K(o=0.94,f=-6.5!) USER MOD Single : A 1 ALA N :NH3+ 143:sc= 0.0211 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -160:sc= -0.0672 (180deg=-0.555) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 78:sc= 0.465 USER MOD Single : A 25 SER OG : rot 90:sc= -1.36 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 76:sc= 0.673 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.044) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.447 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0015 X(o=-0.0015,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 54.474 -4.398 -25.456 1.00 0.00 N ATOM 2 CA ALA A 1 54.347 -4.093 -24.020 1.00 0.00 C ATOM 3 C ALA A 1 53.108 -4.716 -23.463 1.00 0.00 C ATOM 4 O ALA A 1 52.050 -4.715 -24.100 1.00 0.00 O ATOM 5 CB ALA A 1 54.280 -2.571 -23.794 1.00 0.00 C ATOM 0 H1 ALA A 1 54.867 -3.573 -25.953 1.00 0.00 H new ATOM 0 H2 ALA A 1 55.108 -5.213 -25.583 1.00 0.00 H new ATOM 0 H3 ALA A 1 53.537 -4.624 -25.847 1.00 0.00 H new ATOM 0 HA ALA A 1 55.223 -4.499 -23.513 1.00 0.00 H new ATOM 0 HB1 ALA A 1 54.186 -2.365 -22.728 1.00 0.00 H new ATOM 0 HB2 ALA A 1 55.189 -2.106 -24.175 1.00 0.00 H new ATOM 0 HB3 ALA A 1 53.417 -2.163 -24.319 1.00 0.00 H new ATOM 9 N SER A 2 53.264 -5.304 -22.257 1.00 0.00 N ATOM 10 CA SER A 2 52.200 -5.957 -21.543 1.00 0.00 C ATOM 11 C SER A 2 51.299 -4.928 -20.914 1.00 0.00 C ATOM 12 O SER A 2 51.769 -3.973 -20.287 1.00 0.00 O ATOM 13 CB SER A 2 52.730 -6.905 -20.440 1.00 0.00 C ATOM 14 OG SER A 2 51.673 -7.493 -19.694 1.00 0.00 O ATOM 0 H SER A 2 54.156 -5.326 -21.763 1.00 0.00 H new ATOM 0 HA SER A 2 51.648 -6.557 -22.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 53.334 -7.690 -20.895 1.00 0.00 H new ATOM 0 HB3 SER A 2 53.384 -6.350 -19.768 1.00 0.00 H new ATOM 0 HG SER A 2 52.047 -8.086 -19.009 1.00 0.00 H new ATOM 17 N MET A 3 49.972 -5.110 -21.099 1.00 0.00 N ATOM 18 CA MET A 3 49.005 -4.217 -20.529 1.00 0.00 C ATOM 19 C MET A 3 48.408 -4.966 -19.382 1.00 0.00 C ATOM 20 O MET A 3 47.864 -6.064 -19.547 1.00 0.00 O ATOM 21 CB MET A 3 47.876 -3.789 -21.491 1.00 0.00 C ATOM 22 CG MET A 3 48.358 -3.040 -22.739 1.00 0.00 C ATOM 23 SD MET A 3 49.158 -1.437 -22.413 1.00 0.00 S ATOM 24 CE MET A 3 47.692 -0.563 -21.790 1.00 0.00 C ATOM 0 H MET A 3 49.572 -5.875 -21.643 1.00 0.00 H new ATOM 0 HA MET A 3 49.505 -3.289 -20.252 1.00 0.00 H new ATOM 0 HB2 MET A 3 47.326 -4.676 -21.804 1.00 0.00 H new ATOM 0 HB3 MET A 3 47.175 -3.154 -20.949 1.00 0.00 H new ATOM 0 HG2 MET A 3 49.060 -3.676 -23.278 1.00 0.00 H new ATOM 0 HG3 MET A 3 47.505 -2.876 -23.398 1.00 0.00 H new ATOM 0 HE1 MET A 3 47.852 0.513 -21.861 1.00 0.00 H new ATOM 0 HE2 MET A 3 46.822 -0.841 -22.386 1.00 0.00 H new ATOM 0 HE3 MET A 3 47.521 -0.836 -20.749 1.00 0.00 H new ATOM 26 N GLY A 4 48.549 -4.390 -18.172 1.00 0.00 N ATOM 27 CA GLY A 4 48.048 -4.997 -16.972 1.00 0.00 C ATOM 28 C GLY A 4 49.083 -5.909 -16.380 1.00 0.00 C ATOM 29 O GLY A 4 50.150 -6.140 -16.959 1.00 0.00 O ATOM 0 H GLY A 4 49.015 -3.495 -18.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 47.778 -4.225 -16.251 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.141 -5.559 -17.192 1.00 0.00 H new ATOM 31 N LYS A 5 48.762 -6.437 -15.179 1.00 0.00 N ATOM 32 CA LYS A 5 49.637 -7.322 -14.466 1.00 0.00 C ATOM 33 C LYS A 5 48.906 -8.525 -13.928 1.00 0.00 C ATOM 34 O LYS A 5 47.711 -8.470 -13.627 1.00 0.00 O ATOM 35 CB LYS A 5 50.333 -6.640 -13.255 1.00 0.00 C ATOM 36 CG LYS A 5 49.402 -6.043 -12.180 1.00 0.00 C ATOM 37 CD LYS A 5 50.135 -5.447 -10.975 1.00 0.00 C ATOM 38 CE LYS A 5 49.209 -4.915 -9.877 1.00 0.00 C ATOM 39 NZ LYS A 5 50.015 -4.421 -8.741 1.00 0.00 N ATOM 0 H LYS A 5 47.883 -6.246 -14.697 1.00 0.00 H new ATOM 0 HA LYS A 5 50.383 -7.619 -15.203 1.00 0.00 H new ATOM 0 HB2 LYS A 5 50.983 -7.373 -12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 5 50.974 -5.844 -13.633 1.00 0.00 H new ATOM 0 HG2 LYS A 5 48.788 -5.267 -12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 5 48.724 -6.821 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 5 50.787 -6.209 -10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 5 50.776 -4.635 -11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 5 48.587 -4.111 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 5 48.536 -5.704 -9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 49.384 -4.045 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 50.578 -5.203 -8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 50.652 -3.667 -9.069 1.00 0.00 H new ATOM 44 N SER A 6 49.635 -9.661 -13.855 1.00 0.00 N ATOM 45 CA SER A 6 49.162 -10.909 -13.314 1.00 0.00 C ATOM 46 C SER A 6 49.501 -10.926 -11.834 1.00 0.00 C ATOM 47 O SER A 6 50.271 -10.078 -11.372 1.00 0.00 O ATOM 48 CB SER A 6 49.751 -12.140 -14.042 1.00 0.00 C ATOM 49 OG SER A 6 51.156 -12.247 -13.855 1.00 0.00 O ATOM 0 H SER A 6 50.598 -9.713 -14.188 1.00 0.00 H new ATOM 0 HA SER A 6 48.084 -10.978 -13.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.266 -13.045 -13.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.531 -12.071 -15.107 1.00 0.00 H new ATOM 0 HG SER A 6 51.490 -13.037 -14.329 1.00 0.00 H new ATOM 52 N LYS A 7 48.933 -11.899 -11.064 1.00 0.00 N ATOM 53 CA LYS A 7 49.155 -12.055 -9.638 1.00 0.00 C ATOM 54 C LYS A 7 48.773 -10.829 -8.847 1.00 0.00 C ATOM 55 O LYS A 7 49.597 -10.195 -8.184 1.00 0.00 O ATOM 56 CB LYS A 7 50.585 -12.528 -9.251 1.00 0.00 C ATOM 57 CG LYS A 7 51.039 -13.864 -9.843 1.00 0.00 C ATOM 58 CD LYS A 7 50.241 -15.080 -9.372 1.00 0.00 C ATOM 59 CE LYS A 7 50.764 -16.390 -9.958 1.00 0.00 C ATOM 60 NZ LYS A 7 49.910 -17.512 -9.526 1.00 0.00 N ATOM 0 H LYS A 7 48.299 -12.600 -11.448 1.00 0.00 H new ATOM 0 HA LYS A 7 48.480 -12.865 -9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 7 51.294 -11.759 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 7 50.640 -12.598 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 7 50.975 -13.804 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 7 52.089 -14.018 -9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 7 50.276 -15.134 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 7 49.195 -14.954 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 7 50.778 -16.331 -11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 7 51.791 -16.558 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 50.273 -18.400 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 49.918 -17.574 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 48.936 -17.354 -9.856 1.00 0.00 H new ATOM 65 N GLU A 8 47.479 -10.461 -8.946 1.00 0.00 N ATOM 66 CA GLU A 8 46.907 -9.315 -8.287 1.00 0.00 C ATOM 67 C GLU A 8 46.457 -9.593 -6.867 1.00 0.00 C ATOM 68 O GLU A 8 45.864 -8.720 -6.233 1.00 0.00 O ATOM 69 CB GLU A 8 45.711 -8.715 -9.061 1.00 0.00 C ATOM 70 CG GLU A 8 46.069 -8.090 -10.421 1.00 0.00 C ATOM 71 CD GLU A 8 44.842 -7.479 -11.116 1.00 0.00 C ATOM 72 OE1 GLU A 8 43.718 -7.455 -10.544 1.00 0.00 O ATOM 73 OE2 GLU A 8 45.028 -7.013 -12.270 1.00 0.00 O ATOM 0 H GLU A 8 46.802 -10.980 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 8 47.726 -8.596 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 8 44.970 -9.499 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 8 45.240 -7.953 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 8 46.826 -7.319 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 8 46.509 -8.851 -11.065 1.00 0.00 H new ATOM 75 N ILE A 9 46.760 -10.798 -6.321 1.00 0.00 N ATOM 76 CA ILE A 9 46.376 -11.232 -4.989 1.00 0.00 C ATOM 77 C ILE A 9 46.914 -10.286 -3.923 1.00 0.00 C ATOM 78 O ILE A 9 46.185 -9.939 -2.990 1.00 0.00 O ATOM 79 CB ILE A 9 46.854 -12.664 -4.741 1.00 0.00 C ATOM 80 CG1 ILE A 9 46.084 -13.622 -5.678 1.00 0.00 C ATOM 81 CG2 ILE A 9 46.660 -13.087 -3.264 1.00 0.00 C ATOM 82 CD1 ILE A 9 46.646 -15.043 -5.747 1.00 0.00 C ATOM 0 H ILE A 9 47.296 -11.504 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 9 45.288 -11.213 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 9 47.922 -12.713 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 9 45.046 -13.673 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 9 46.080 -13.199 -6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 9 47.012 -14.110 -3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 9 47.229 -12.420 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 9 45.603 -13.030 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 9 46.041 -15.641 -6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 9 47.674 -15.011 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 9 46.624 -15.491 -4.754 1.00 0.00 H new ATOM 84 N SER A 10 48.175 -9.816 -4.070 1.00 0.00 N ATOM 85 CA SER A 10 48.813 -8.911 -3.141 1.00 0.00 C ATOM 86 C SER A 10 48.156 -7.553 -3.135 1.00 0.00 C ATOM 87 O SER A 10 47.965 -6.941 -2.080 1.00 0.00 O ATOM 88 CB SER A 10 50.317 -8.750 -3.464 1.00 0.00 C ATOM 89 OG SER A 10 50.503 -8.190 -4.760 1.00 0.00 O ATOM 0 H SER A 10 48.771 -10.072 -4.858 1.00 0.00 H new ATOM 0 HA SER A 10 48.701 -9.353 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 10 50.787 -8.111 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 10 50.810 -9.720 -3.409 1.00 0.00 H new ATOM 0 HG SER A 10 51.461 -8.096 -4.941 1.00 0.00 H new ATOM 92 N GLN A 11 47.761 -7.096 -4.344 1.00 0.00 N ATOM 93 CA GLN A 11 47.133 -5.834 -4.593 1.00 0.00 C ATOM 94 C GLN A 11 45.758 -5.791 -3.985 1.00 0.00 C ATOM 95 O GLN A 11 45.350 -4.723 -3.541 1.00 0.00 O ATOM 96 CB GLN A 11 47.048 -5.529 -6.109 1.00 0.00 C ATOM 97 CG GLN A 11 46.632 -4.097 -6.492 1.00 0.00 C ATOM 98 CD GLN A 11 47.668 -3.083 -5.999 1.00 0.00 C ATOM 99 OE1 GLN A 11 48.864 -3.188 -6.275 1.00 0.00 O ATOM 100 NE2 GLN A 11 47.197 -2.076 -5.219 1.00 0.00 N ATOM 0 H GLN A 11 47.890 -7.643 -5.195 1.00 0.00 H new ATOM 0 HA GLN A 11 47.752 -5.068 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 11 48.021 -5.734 -6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.339 -6.224 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 11 46.527 -4.020 -7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 11 45.658 -3.868 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 11 46.201 -2.017 -5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 11 47.840 -1.379 -4.843 1.00 0.00 H new ATOM 104 N ASP A 12 45.041 -6.943 -3.913 1.00 0.00 N ATOM 105 CA ASP A 12 43.703 -7.028 -3.365 1.00 0.00 C ATOM 106 C ASP A 12 43.632 -6.604 -1.925 1.00 0.00 C ATOM 107 O ASP A 12 42.690 -5.904 -1.549 1.00 0.00 O ATOM 108 CB ASP A 12 43.099 -8.446 -3.468 1.00 0.00 C ATOM 109 CG ASP A 12 42.703 -8.797 -4.906 1.00 0.00 C ATOM 110 OD1 ASP A 12 42.618 -7.904 -5.793 1.00 0.00 O ATOM 111 OD2 ASP A 12 42.481 -10.015 -5.134 1.00 0.00 O ATOM 0 H ASP A 12 45.400 -7.839 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 12 43.123 -6.338 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 12 43.822 -9.176 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 12 42.223 -8.515 -2.823 1.00 0.00 H new ATOM 113 N LEU A 13 44.639 -6.980 -1.098 1.00 0.00 N ATOM 114 CA LEU A 13 44.687 -6.617 0.301 1.00 0.00 C ATOM 115 C LEU A 13 44.909 -5.135 0.428 1.00 0.00 C ATOM 116 O LEU A 13 44.272 -4.481 1.257 1.00 0.00 O ATOM 117 CB LEU A 13 45.814 -7.339 1.066 1.00 0.00 C ATOM 118 CG LEU A 13 45.591 -8.855 1.245 1.00 0.00 C ATOM 119 CD1 LEU A 13 46.841 -9.523 1.838 1.00 0.00 C ATOM 120 CD2 LEU A 13 44.316 -9.160 2.055 1.00 0.00 C ATOM 0 H LEU A 13 45.432 -7.544 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 13 43.734 -6.917 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 13 46.754 -7.182 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 13 45.921 -6.881 2.049 1.00 0.00 H new ATOM 0 HG LEU A 13 45.429 -9.289 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 46.661 -10.592 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 13 47.688 -9.369 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 13 47.062 -9.083 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 13 44.199 -10.239 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 44.397 -8.709 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 13 43.449 -8.748 1.538 1.00 0.00 H new ATOM 122 N ARG A 14 45.783 -4.576 -0.447 1.00 0.00 N ATOM 123 CA ARG A 14 46.098 -3.172 -0.464 1.00 0.00 C ATOM 124 C ARG A 14 44.876 -2.384 -0.847 1.00 0.00 C ATOM 125 O ARG A 14 44.614 -1.350 -0.236 1.00 0.00 O ATOM 126 CB ARG A 14 47.197 -2.804 -1.471 1.00 0.00 C ATOM 127 CG ARG A 14 48.600 -3.282 -1.096 1.00 0.00 C ATOM 128 CD ARG A 14 49.631 -3.010 -2.194 1.00 0.00 C ATOM 129 NE ARG A 14 49.786 -1.529 -2.326 1.00 0.00 N ATOM 130 CZ ARG A 14 50.350 -0.952 -3.433 1.00 0.00 C ATOM 131 NH1 ARG A 14 50.778 -1.692 -4.501 1.00 0.00 N ATOM 132 NH2 ARG A 14 50.480 0.406 -3.469 1.00 0.00 N ATOM 0 H ARG A 14 46.280 -5.114 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 14 46.451 -2.935 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 14 46.934 -3.222 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 14 47.217 -1.720 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 14 48.915 -2.787 -0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 14 48.571 -4.351 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 14 50.586 -3.472 -1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 14 49.305 -3.445 -3.139 1.00 0.00 H new ATOM 0 HE ARG A 14 49.461 -0.929 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 14 50.682 -2.707 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 14 51.193 -1.228 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 14 50.160 0.970 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 14 50.897 0.857 -4.283 1.00 0.00 H new ATOM 139 N LYS A 15 44.076 -2.895 -1.821 1.00 0.00 N ATOM 140 CA LYS A 15 42.869 -2.268 -2.306 1.00 0.00 C ATOM 141 C LYS A 15 41.871 -2.208 -1.196 1.00 0.00 C ATOM 142 O LYS A 15 41.215 -1.181 -1.047 1.00 0.00 O ATOM 143 CB LYS A 15 42.177 -3.033 -3.454 1.00 0.00 C ATOM 144 CG LYS A 15 42.899 -3.009 -4.802 1.00 0.00 C ATOM 145 CD LYS A 15 42.165 -3.822 -5.871 1.00 0.00 C ATOM 146 CE LYS A 15 42.887 -3.888 -7.217 1.00 0.00 C ATOM 147 NZ LYS A 15 42.125 -4.729 -8.160 1.00 0.00 N ATOM 0 H LYS A 15 44.280 -3.779 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 15 43.178 -1.290 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 15 42.052 -4.072 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 15 41.178 -2.618 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 15 42.999 -1.977 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 15 43.908 -3.403 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 15 42.017 -4.837 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 15 41.176 -3.391 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 15 43.004 -2.884 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 15 43.889 -4.296 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 42.624 -4.768 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 42.035 -5.690 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 41.178 -4.323 -8.300 1.00 0.00 H new ATOM 152 N ARG A 16 41.774 -3.285 -0.373 1.00 0.00 N ATOM 153 CA ARG A 16 40.864 -3.346 0.743 1.00 0.00 C ATOM 154 C ARG A 16 41.203 -2.309 1.767 1.00 0.00 C ATOM 155 O ARG A 16 40.286 -1.697 2.308 1.00 0.00 O ATOM 156 CB ARG A 16 40.870 -4.681 1.514 1.00 0.00 C ATOM 157 CG ARG A 16 40.263 -5.894 0.815 1.00 0.00 C ATOM 158 CD ARG A 16 40.336 -7.137 1.710 1.00 0.00 C ATOM 159 NE ARG A 16 39.760 -8.312 0.987 1.00 0.00 N ATOM 160 CZ ARG A 16 38.414 -8.581 0.976 1.00 0.00 C ATOM 161 NH1 ARG A 16 37.512 -7.806 1.653 1.00 0.00 N ATOM 162 NH2 ARG A 16 37.963 -9.669 0.289 1.00 0.00 N ATOM 0 H ARG A 16 42.339 -4.127 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 16 39.889 -3.198 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 16 41.903 -4.920 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 16 40.337 -4.531 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 16 39.224 -5.688 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 16 40.792 -6.082 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 16 41.371 -7.339 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 16 39.788 -6.963 2.636 1.00 0.00 H new ATOM 0 HE ARG A 16 40.390 -8.936 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 16 37.833 -6.999 2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 16 36.519 -8.035 1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 16 38.623 -10.269 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 16 36.966 -9.883 0.271 1.00 0.00 H new ATOM 169 N ILE A 17 42.513 -2.064 2.026 1.00 0.00 N ATOM 170 CA ILE A 17 42.938 -1.091 3.013 1.00 0.00 C ATOM 171 C ILE A 17 42.570 0.301 2.545 1.00 0.00 C ATOM 172 O ILE A 17 41.976 1.062 3.310 1.00 0.00 O ATOM 173 CB ILE A 17 44.443 -1.173 3.285 1.00 0.00 C ATOM 174 CG1 ILE A 17 44.765 -2.521 3.957 1.00 0.00 C ATOM 175 CG2 ILE A 17 44.927 0.003 4.174 1.00 0.00 C ATOM 176 CD1 ILE A 17 46.258 -2.843 4.022 1.00 0.00 C ATOM 0 H ILE A 17 43.281 -2.540 1.552 1.00 0.00 H new ATOM 0 HA ILE A 17 42.424 -1.315 3.948 1.00 0.00 H new ATOM 0 HB ILE A 17 44.971 -1.100 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 17 44.360 -2.516 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 17 44.256 -3.317 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 17 45.999 -0.088 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 17 44.719 0.948 3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 17 44.403 -0.023 5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 17 46.401 -3.808 4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 17 46.666 -2.882 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 17 46.773 -2.069 4.592 1.00 0.00 H new ATOM 178 N VAL A 18 42.843 0.611 1.255 1.00 0.00 N ATOM 179 CA VAL A 18 42.591 1.901 0.643 1.00 0.00 C ATOM 180 C VAL A 18 41.118 2.215 0.614 1.00 0.00 C ATOM 181 O VAL A 18 40.720 3.314 1.011 1.00 0.00 O ATOM 182 CB VAL A 18 43.097 1.926 -0.800 1.00 0.00 C ATOM 183 CG1 VAL A 18 42.672 3.196 -1.564 1.00 0.00 C ATOM 184 CG2 VAL A 18 44.620 1.770 -0.790 1.00 0.00 C ATOM 0 H VAL A 18 43.256 -0.061 0.608 1.00 0.00 H new ATOM 0 HA VAL A 18 43.118 2.641 1.245 1.00 0.00 H new ATOM 0 HB VAL A 18 42.639 1.094 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 18 43.061 3.156 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 18 41.584 3.256 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 18 43.070 4.075 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.994 1.786 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 18 45.066 2.590 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 18 44.886 0.822 -0.322 1.00 0.00 H new ATOM 186 N ASP A 19 40.295 1.228 0.194 1.00 0.00 N ATOM 187 CA ASP A 19 38.870 1.373 0.067 1.00 0.00 C ATOM 188 C ASP A 19 38.223 1.592 1.389 1.00 0.00 C ATOM 189 O ASP A 19 37.363 2.466 1.489 1.00 0.00 O ATOM 190 CB ASP A 19 38.179 0.159 -0.597 1.00 0.00 C ATOM 191 CG ASP A 19 38.448 0.103 -2.106 1.00 0.00 C ATOM 192 OD1 ASP A 19 38.933 1.097 -2.713 1.00 0.00 O ATOM 193 OD2 ASP A 19 38.156 -0.977 -2.683 1.00 0.00 O ATOM 0 H ASP A 19 40.632 0.301 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 19 38.741 2.243 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 19 38.533 -0.760 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.105 0.212 -0.421 1.00 0.00 H new ATOM 195 N LEU A 20 38.657 0.845 2.435 1.00 0.00 N ATOM 196 CA LEU A 20 38.111 0.985 3.761 1.00 0.00 C ATOM 197 C LEU A 20 38.446 2.329 4.327 1.00 0.00 C ATOM 198 O LEU A 20 37.583 2.947 4.954 1.00 0.00 O ATOM 199 CB LEU A 20 38.622 -0.044 4.797 1.00 0.00 C ATOM 200 CG LEU A 20 38.140 -1.499 4.626 1.00 0.00 C ATOM 201 CD1 LEU A 20 38.883 -2.428 5.601 1.00 0.00 C ATOM 202 CD2 LEU A 20 36.614 -1.623 4.750 1.00 0.00 C ATOM 0 H LEU A 20 39.391 0.140 2.359 1.00 0.00 H new ATOM 0 HA LEU A 20 37.042 0.829 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.712 -0.041 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.327 0.297 5.789 1.00 0.00 H new ATOM 0 HG LEU A 20 38.383 -1.817 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 20 38.532 -3.451 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 20 39.954 -2.383 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 20 38.691 -2.109 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 20 36.322 -2.665 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 20 36.300 -1.276 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 20 36.136 -1.016 3.981 1.00 0.00 H new ATOM 204 N TYR A 21 39.684 2.829 4.063 1.00 0.00 N ATOM 205 CA TYR A 21 40.141 4.102 4.566 1.00 0.00 C ATOM 206 C TYR A 21 39.267 5.219 4.059 1.00 0.00 C ATOM 207 O TYR A 21 38.830 6.047 4.862 1.00 0.00 O ATOM 208 CB TYR A 21 41.639 4.363 4.217 1.00 0.00 C ATOM 209 CG TYR A 21 42.116 5.699 4.709 1.00 0.00 C ATOM 210 CD1 TYR A 21 42.395 5.910 6.065 1.00 0.00 C ATOM 211 CD2 TYR A 21 42.319 6.750 3.804 1.00 0.00 C ATOM 212 CE1 TYR A 21 42.835 7.158 6.517 1.00 0.00 C ATOM 213 CE2 TYR A 21 42.760 7.995 4.252 1.00 0.00 C ATOM 214 CZ TYR A 21 43.017 8.205 5.609 1.00 0.00 C ATOM 215 OH TYR A 21 43.460 9.469 6.059 1.00 0.00 O ATOM 0 H TYR A 21 40.374 2.341 3.493 1.00 0.00 H new ATOM 0 HA TYR A 21 40.065 4.070 5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 21 42.254 3.577 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 21 41.773 4.308 3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 21 42.269 5.101 6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 21 42.132 6.594 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 21 43.034 7.313 7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 21 42.903 8.800 3.547 1.00 0.00 H new ATOM 0 HH TYR A 21 44.026 9.354 6.851 1.00 0.00 H new ATOM 218 N LYS A 22 38.950 5.196 2.745 1.00 0.00 N ATOM 219 CA LYS A 22 38.134 6.178 2.077 1.00 0.00 C ATOM 220 C LYS A 22 36.704 6.116 2.539 1.00 0.00 C ATOM 221 O LYS A 22 36.068 7.160 2.698 1.00 0.00 O ATOM 222 CB LYS A 22 38.080 5.950 0.554 1.00 0.00 C ATOM 223 CG LYS A 22 39.366 6.225 -0.226 1.00 0.00 C ATOM 224 CD LYS A 22 39.173 5.930 -1.714 1.00 0.00 C ATOM 225 CE LYS A 22 40.420 6.093 -2.580 1.00 0.00 C ATOM 226 NZ LYS A 22 40.094 5.708 -3.968 1.00 0.00 N ATOM 0 H LYS A 22 39.277 4.460 2.119 1.00 0.00 H new ATOM 0 HA LYS A 22 38.596 7.136 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 22 37.788 4.915 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 22 37.291 6.580 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 22 39.662 7.266 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 22 40.175 5.610 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 22 38.808 4.908 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.395 6.588 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 22 40.769 7.125 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 22 41.229 5.471 -2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 40.938 5.816 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 39.780 4.717 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 39.334 6.320 -4.329 1.00 0.00 H new ATOM 231 N SER A 23 36.185 4.883 2.777 1.00 0.00 N ATOM 232 CA SER A 23 34.828 4.644 3.208 1.00 0.00 C ATOM 233 C SER A 23 34.583 5.100 4.618 1.00 0.00 C ATOM 234 O SER A 23 33.461 5.494 4.945 1.00 0.00 O ATOM 235 CB SER A 23 34.427 3.159 3.127 1.00 0.00 C ATOM 236 OG SER A 23 34.415 2.725 1.773 1.00 0.00 O ATOM 0 H SER A 23 36.728 4.027 2.666 1.00 0.00 H new ATOM 0 HA SER A 23 34.220 5.227 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 23 35.127 2.554 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 23 33.442 3.016 3.571 1.00 0.00 H new ATOM 0 HG SER A 23 35.334 2.561 1.474 1.00 0.00 H new ATOM 239 N GLY A 24 35.634 5.091 5.468 1.00 0.00 N ATOM 240 CA GLY A 24 35.507 5.518 6.830 1.00 0.00 C ATOM 241 C GLY A 24 35.926 4.412 7.723 1.00 0.00 C ATOM 242 O GLY A 24 35.105 3.687 8.287 1.00 0.00 O ATOM 0 H GLY A 24 36.572 4.787 5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 24 36.123 6.399 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 24 34.476 5.802 7.041 1.00 0.00 H new ATOM 244 N SER A 25 37.255 4.262 7.836 1.00 0.00 N ATOM 245 CA SER A 25 37.865 3.276 8.673 1.00 0.00 C ATOM 246 C SER A 25 38.236 3.869 10.004 1.00 0.00 C ATOM 247 O SER A 25 38.380 3.133 10.987 1.00 0.00 O ATOM 248 CB SER A 25 39.127 2.711 8.011 1.00 0.00 C ATOM 249 OG SER A 25 40.073 3.750 7.804 1.00 0.00 O ATOM 0 H SER A 25 37.926 4.842 7.332 1.00 0.00 H new ATOM 0 HA SER A 25 37.143 2.473 8.821 1.00 0.00 H new ATOM 0 HB2 SER A 25 39.560 1.933 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 25 38.871 2.246 7.059 1.00 0.00 H new ATOM 0 HG SER A 25 40.653 3.826 8.590 1.00 0.00 H new ATOM 252 N SER A 26 38.351 5.231 10.051 1.00 0.00 N ATOM 253 CA SER A 26 38.738 6.012 11.197 1.00 0.00 C ATOM 254 C SER A 26 40.102 5.488 11.587 1.00 0.00 C ATOM 255 O SER A 26 41.037 5.633 10.792 1.00 0.00 O ATOM 256 CB SER A 26 37.669 6.024 12.327 1.00 0.00 C ATOM 257 OG SER A 26 37.968 7.021 13.293 1.00 0.00 O ATOM 0 H SER A 26 38.160 5.812 9.235 1.00 0.00 H new ATOM 0 HA SER A 26 38.803 7.076 10.970 1.00 0.00 H new ATOM 0 HB2 SER A 26 36.684 6.209 11.900 1.00 0.00 H new ATOM 0 HB3 SER A 26 37.630 5.046 12.807 1.00 0.00 H new ATOM 0 HG SER A 26 37.283 7.013 13.994 1.00 0.00 H new ATOM 260 N LEU A 27 40.274 4.945 12.814 1.00 0.00 N ATOM 261 CA LEU A 27 41.534 4.383 13.206 1.00 0.00 C ATOM 262 C LEU A 27 41.346 2.951 13.617 1.00 0.00 C ATOM 263 O LEU A 27 42.225 2.126 13.372 1.00 0.00 O ATOM 264 CB LEU A 27 42.181 5.082 14.424 1.00 0.00 C ATOM 265 CG LEU A 27 42.519 6.579 14.262 1.00 0.00 C ATOM 266 CD1 LEU A 27 43.009 7.163 15.593 1.00 0.00 C ATOM 267 CD2 LEU A 27 43.523 6.827 13.119 1.00 0.00 C ATOM 0 H LEU A 27 39.546 4.896 13.527 1.00 0.00 H new ATOM 0 HA LEU A 27 42.180 4.504 12.336 1.00 0.00 H new ATOM 0 HB2 LEU A 27 41.509 4.975 15.275 1.00 0.00 H new ATOM 0 HB3 LEU A 27 43.099 4.550 14.674 1.00 0.00 H new ATOM 0 HG LEU A 27 41.604 7.100 13.981 1.00 0.00 H new ATOM 0 HD11 LEU A 27 43.243 8.219 15.462 1.00 0.00 H new ATOM 0 HD12 LEU A 27 42.229 7.055 16.347 1.00 0.00 H new ATOM 0 HD13 LEU A 27 43.903 6.630 15.917 1.00 0.00 H new ATOM 0 HD21 LEU A 27 43.731 7.894 13.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 44.449 6.291 13.326 1.00 0.00 H new ATOM 0 HD23 LEU A 27 43.100 6.472 12.179 1.00 0.00 H new ATOM 269 N GLY A 28 40.160 2.623 14.191 1.00 0.00 N ATOM 270 CA GLY A 28 39.832 1.318 14.701 1.00 0.00 C ATOM 271 C GLY A 28 39.710 0.196 13.724 1.00 0.00 C ATOM 272 O GLY A 28 40.190 -0.899 14.023 1.00 0.00 O ATOM 0 H GLY A 28 39.402 3.296 14.302 1.00 0.00 H new ATOM 0 HA2 GLY A 28 40.593 1.044 15.432 1.00 0.00 H new ATOM 0 HA3 GLY A 28 38.887 1.397 15.239 1.00 0.00 H new ATOM 274 N ALA A 29 39.104 0.438 12.536 1.00 0.00 N ATOM 275 CA ALA A 29 38.935 -0.607 11.556 1.00 0.00 C ATOM 276 C ALA A 29 40.257 -1.032 10.992 1.00 0.00 C ATOM 277 O ALA A 29 40.498 -2.236 10.867 1.00 0.00 O ATOM 278 CB ALA A 29 38.024 -0.207 10.383 1.00 0.00 C ATOM 0 H ALA A 29 38.735 1.347 12.256 1.00 0.00 H new ATOM 0 HA ALA A 29 38.459 -1.427 12.094 1.00 0.00 H new ATOM 0 HB1 ALA A 29 37.942 -1.040 9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 29 37.034 0.048 10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 29 38.449 0.655 9.870 1.00 0.00 H new ATOM 280 N ILE A 30 41.160 -0.054 10.706 1.00 0.00 N ATOM 281 CA ILE A 30 42.471 -0.351 10.179 1.00 0.00 C ATOM 282 C ILE A 30 43.254 -1.067 11.247 1.00 0.00 C ATOM 283 O ILE A 30 43.901 -2.058 10.921 1.00 0.00 O ATOM 284 CB ILE A 30 43.261 0.853 9.641 1.00 0.00 C ATOM 285 CG1 ILE A 30 42.585 1.399 8.374 1.00 0.00 C ATOM 286 CG2 ILE A 30 44.740 0.497 9.336 1.00 0.00 C ATOM 287 CD1 ILE A 30 43.166 2.733 7.902 1.00 0.00 C ATOM 0 H ILE A 30 40.979 0.941 10.841 1.00 0.00 H new ATOM 0 HA ILE A 30 42.318 -0.975 9.298 1.00 0.00 H new ATOM 0 HB ILE A 30 43.262 1.616 10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 30 42.683 0.665 7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 30 41.519 1.523 8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 30 45.256 1.380 8.959 1.00 0.00 H new ATOM 0 HG22 ILE A 30 45.227 0.154 10.249 1.00 0.00 H new ATOM 0 HG23 ILE A 30 44.777 -0.293 8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 30 42.643 3.060 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 30 43.044 3.481 8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 30 44.226 2.610 7.680 1.00 0.00 H new ATOM 289 N SER A 31 43.140 -0.642 12.533 1.00 0.00 N ATOM 290 CA SER A 31 43.857 -1.250 13.633 1.00 0.00 C ATOM 291 C SER A 31 43.497 -2.694 13.827 1.00 0.00 C ATOM 292 O SER A 31 44.380 -3.495 14.136 1.00 0.00 O ATOM 293 CB SER A 31 43.660 -0.525 14.976 1.00 0.00 C ATOM 294 OG SER A 31 44.256 0.763 14.929 1.00 0.00 O ATOM 0 H SER A 31 42.541 0.135 12.813 1.00 0.00 H new ATOM 0 HA SER A 31 44.903 -1.164 13.340 1.00 0.00 H new ATOM 0 HB2 SER A 31 42.596 -0.434 15.196 1.00 0.00 H new ATOM 0 HB3 SER A 31 44.103 -1.110 15.782 1.00 0.00 H new ATOM 0 HG SER A 31 43.689 1.367 14.406 1.00 0.00 H new ATOM 297 N LYS A 32 42.206 -3.061 13.624 1.00 0.00 N ATOM 298 CA LYS A 32 41.778 -4.428 13.769 1.00 0.00 C ATOM 299 C LYS A 32 42.394 -5.300 12.711 1.00 0.00 C ATOM 300 O LYS A 32 42.809 -6.419 13.020 1.00 0.00 O ATOM 301 CB LYS A 32 40.254 -4.628 13.697 1.00 0.00 C ATOM 302 CG LYS A 32 39.494 -4.098 14.911 1.00 0.00 C ATOM 303 CD LYS A 32 37.994 -4.364 14.828 1.00 0.00 C ATOM 304 CE LYS A 32 37.201 -3.817 16.013 1.00 0.00 C ATOM 305 NZ LYS A 32 35.782 -4.181 15.861 1.00 0.00 N ATOM 0 H LYS A 32 41.464 -2.413 13.361 1.00 0.00 H new ATOM 0 HA LYS A 32 42.111 -4.709 14.768 1.00 0.00 H new ATOM 0 HB2 LYS A 32 39.876 -4.134 12.802 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.043 -5.692 13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 32 39.892 -4.561 15.814 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.664 -3.025 15.001 1.00 0.00 H new ATOM 0 HD2 LYS A 32 37.607 -3.922 13.910 1.00 0.00 H new ATOM 0 HD3 LYS A 32 37.829 -5.439 14.759 1.00 0.00 H new ATOM 0 HE2 LYS A 32 37.594 -4.222 16.946 1.00 0.00 H new ATOM 0 HE3 LYS A 32 37.306 -2.733 16.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 35.240 -3.809 16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 35.412 -3.775 14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 35.691 -5.217 15.830 1.00 0.00 H new ATOM 310 N ARG A 33 42.486 -4.795 11.453 1.00 0.00 N ATOM 311 CA ARG A 33 43.056 -5.552 10.368 1.00 0.00 C ATOM 312 C ARG A 33 44.557 -5.676 10.506 1.00 0.00 C ATOM 313 O ARG A 33 45.070 -6.795 10.494 1.00 0.00 O ATOM 314 CB ARG A 33 42.705 -4.928 8.997 1.00 0.00 C ATOM 315 CG ARG A 33 43.129 -5.753 7.772 1.00 0.00 C ATOM 316 CD ARG A 33 42.770 -5.109 6.426 1.00 0.00 C ATOM 317 NE ARG A 33 41.280 -5.069 6.272 1.00 0.00 N ATOM 318 CZ ARG A 33 40.551 -6.143 5.829 1.00 0.00 C ATOM 319 NH1 ARG A 33 41.142 -7.320 5.457 1.00 0.00 N ATOM 320 NH2 ARG A 33 39.194 -6.032 5.740 1.00 0.00 N ATOM 0 H ARG A 33 42.165 -3.863 11.191 1.00 0.00 H new ATOM 0 HA ARG A 33 42.620 -6.550 10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 33 41.627 -4.771 8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 33 43.173 -3.946 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 33 44.207 -5.912 7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 33 42.660 -6.735 7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 33 43.179 -4.100 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 33 43.215 -5.677 5.609 1.00 0.00 H new ATOM 0 HE ARG A 33 40.787 -4.207 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 33 42.156 -7.419 5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 33 40.568 -8.098 5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 33 38.735 -5.159 6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 33 38.638 -6.822 5.412 1.00 0.00 H new ATOM 327 N LEU A 34 45.284 -4.542 10.679 1.00 0.00 N ATOM 328 CA LEU A 34 46.722 -4.539 10.821 1.00 0.00 C ATOM 329 C LEU A 34 47.075 -3.494 11.837 1.00 0.00 C ATOM 330 O LEU A 34 46.894 -2.296 11.597 1.00 0.00 O ATOM 331 CB LEU A 34 47.518 -4.168 9.539 1.00 0.00 C ATOM 332 CG LEU A 34 47.428 -5.132 8.334 1.00 0.00 C ATOM 333 CD1 LEU A 34 48.076 -4.502 7.092 1.00 0.00 C ATOM 334 CD2 LEU A 34 48.003 -6.524 8.647 1.00 0.00 C ATOM 0 H LEU A 34 44.866 -3.612 10.721 1.00 0.00 H new ATOM 0 HA LEU A 34 46.993 -5.560 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 34 47.182 -3.185 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 34 48.569 -4.070 9.813 1.00 0.00 H new ATOM 0 HG LEU A 34 46.372 -5.291 8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 48.004 -5.194 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 34 47.560 -3.575 6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.125 -4.289 7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 34 47.914 -7.161 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.053 -6.430 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 34 47.449 -6.969 9.474 1.00 0.00 H new ATOM 336 N ALA A 35 47.541 -3.943 13.023 1.00 0.00 N ATOM 337 CA ALA A 35 47.918 -3.038 14.076 1.00 0.00 C ATOM 338 C ALA A 35 49.389 -2.753 14.141 1.00 0.00 C ATOM 339 O ALA A 35 49.788 -1.589 14.198 1.00 0.00 O ATOM 340 CB ALA A 35 47.478 -3.536 15.464 1.00 0.00 C ATOM 0 H ALA A 35 47.657 -4.930 13.253 1.00 0.00 H new ATOM 0 HA ALA A 35 47.395 -2.117 13.818 1.00 0.00 H new ATOM 0 HB1 ALA A 35 47.787 -2.817 16.223 1.00 0.00 H new ATOM 0 HB2 ALA A 35 46.393 -3.643 15.485 1.00 0.00 H new ATOM 0 HB3 ALA A 35 47.942 -4.501 15.668 1.00 0.00 H new ATOM 342 N VAL A 36 50.229 -3.818 14.132 1.00 0.00 N ATOM 343 CA VAL A 36 51.665 -3.676 14.224 1.00 0.00 C ATOM 344 C VAL A 36 52.290 -3.147 12.939 1.00 0.00 C ATOM 345 O VAL A 36 52.992 -2.139 13.066 1.00 0.00 O ATOM 346 CB VAL A 36 52.347 -4.939 14.767 1.00 0.00 C ATOM 347 CG1 VAL A 36 53.889 -4.852 14.709 1.00 0.00 C ATOM 348 CG2 VAL A 36 51.826 -5.190 16.195 1.00 0.00 C ATOM 0 H VAL A 36 49.912 -4.785 14.060 1.00 0.00 H new ATOM 0 HA VAL A 36 51.852 -2.903 14.969 1.00 0.00 H new ATOM 0 HB VAL A 36 52.092 -5.788 14.132 1.00 0.00 H new ATOM 0 HG11 VAL A 36 54.320 -5.771 15.105 1.00 0.00 H new ATOM 0 HG12 VAL A 36 54.207 -4.718 13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 36 54.228 -4.005 15.306 1.00 0.00 H new ATOM 0 HG21 VAL A 36 52.298 -6.084 16.602 1.00 0.00 H new ATOM 0 HG22 VAL A 36 52.066 -4.334 16.826 1.00 0.00 H new ATOM 0 HG23 VAL A 36 50.745 -5.330 16.169 1.00 0.00 H new ATOM 350 N PRO A 37 52.093 -3.685 11.723 1.00 0.00 N ATOM 351 CA PRO A 37 52.714 -3.168 10.519 1.00 0.00 C ATOM 352 C PRO A 37 51.967 -1.976 9.960 1.00 0.00 C ATOM 353 O PRO A 37 51.217 -2.134 8.993 1.00 0.00 O ATOM 354 CB PRO A 37 52.791 -4.373 9.571 1.00 0.00 C ATOM 355 CG PRO A 37 51.569 -5.221 9.958 1.00 0.00 C ATOM 356 CD PRO A 37 51.403 -4.953 11.459 1.00 0.00 C ATOM 0 HA PRO A 37 53.710 -2.763 10.698 1.00 0.00 H new ATOM 0 HB2 PRO A 37 52.749 -4.064 8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 37 53.720 -4.927 9.702 1.00 0.00 H new ATOM 0 HG2 PRO A 37 50.682 -4.925 9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 37 51.735 -6.279 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 37 50.349 -4.887 11.729 1.00 0.00 H new ATOM 0 HD3 PRO A 37 51.834 -5.762 12.050 1.00 0.00 H new ATOM 357 N ARG A 38 52.120 -0.791 10.593 1.00 0.00 N ATOM 358 CA ARG A 38 51.502 0.426 10.122 1.00 0.00 C ATOM 359 C ARG A 38 52.343 1.279 9.221 1.00 0.00 C ATOM 360 O ARG A 38 51.796 2.179 8.584 1.00 0.00 O ATOM 361 CB ARG A 38 51.014 1.373 11.242 1.00 0.00 C ATOM 362 CG ARG A 38 49.887 0.845 12.127 1.00 0.00 C ATOM 363 CD ARG A 38 48.501 0.762 11.460 1.00 0.00 C ATOM 364 NE ARG A 38 48.047 2.129 11.039 1.00 0.00 N ATOM 365 CZ ARG A 38 47.377 2.976 11.887 1.00 0.00 C ATOM 366 NH1 ARG A 38 47.118 2.637 13.187 1.00 0.00 N ATOM 367 NH2 ARG A 38 46.954 4.190 11.425 1.00 0.00 N ATOM 0 H ARG A 38 52.677 -0.673 11.439 1.00 0.00 H new ATOM 0 HA ARG A 38 50.666 0.005 9.564 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.864 1.617 11.879 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.682 2.304 10.783 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.161 -0.149 12.479 1.00 0.00 H new ATOM 0 HG3 ARG A 38 49.810 1.484 13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 38 48.545 0.102 10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 38 47.781 0.329 12.154 1.00 0.00 H new ATOM 0 HE ARG A 38 48.243 2.440 10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 38 47.425 1.734 13.550 1.00 0.00 H new ATOM 0 HH12 ARG A 38 46.618 3.287 13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 38 47.137 4.460 10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 38 46.455 4.827 12.047 1.00 0.00 H new ATOM 374 N SER A 39 53.661 0.992 9.091 1.00 0.00 N ATOM 375 CA SER A 39 54.570 1.786 8.292 1.00 0.00 C ATOM 376 C SER A 39 54.210 1.837 6.831 1.00 0.00 C ATOM 377 O SER A 39 54.235 2.911 6.225 1.00 0.00 O ATOM 378 CB SER A 39 56.016 1.273 8.401 1.00 0.00 C ATOM 379 OG SER A 39 56.491 1.436 9.730 1.00 0.00 O ATOM 0 H SER A 39 54.106 0.196 9.547 1.00 0.00 H new ATOM 0 HA SER A 39 54.484 2.791 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 39 56.060 0.222 8.117 1.00 0.00 H new ATOM 0 HB3 SER A 39 56.657 1.818 7.708 1.00 0.00 H new ATOM 0 HG SER A 39 57.412 1.105 9.791 1.00 0.00 H new ATOM 382 N SER A 40 53.836 0.675 6.254 1.00 0.00 N ATOM 383 CA SER A 40 53.447 0.558 4.875 1.00 0.00 C ATOM 384 C SER A 40 52.096 1.178 4.642 1.00 0.00 C ATOM 385 O SER A 40 51.900 1.882 3.650 1.00 0.00 O ATOM 386 CB SER A 40 53.437 -0.918 4.415 1.00 0.00 C ATOM 387 OG SER A 40 52.504 -1.685 5.168 1.00 0.00 O ATOM 0 H SER A 40 53.803 -0.209 6.761 1.00 0.00 H new ATOM 0 HA SER A 40 54.187 1.097 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 40 53.184 -0.970 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 40 54.435 -1.343 4.526 1.00 0.00 H new ATOM 0 HG SER A 40 52.517 -2.614 4.856 1.00 0.00 H new ATOM 390 N VAL A 41 51.171 0.978 5.612 1.00 0.00 N ATOM 391 CA VAL A 41 49.809 1.454 5.579 1.00 0.00 C ATOM 392 C VAL A 41 49.781 2.960 5.539 1.00 0.00 C ATOM 393 O VAL A 41 49.005 3.512 4.762 1.00 0.00 O ATOM 394 CB VAL A 41 48.994 0.915 6.757 1.00 0.00 C ATOM 395 CG1 VAL A 41 47.588 1.551 6.858 1.00 0.00 C ATOM 396 CG2 VAL A 41 48.918 -0.620 6.627 1.00 0.00 C ATOM 0 H VAL A 41 51.384 0.458 6.463 1.00 0.00 H new ATOM 0 HA VAL A 41 49.342 1.077 4.669 1.00 0.00 H new ATOM 0 HB VAL A 41 49.495 1.188 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 41 47.058 1.129 7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 41 47.685 2.629 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 41 47.029 1.344 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 41 48.341 -1.027 7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 41 48.435 -0.882 5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 41 49.925 -1.037 6.646 1.00 0.00 H new ATOM 398 N GLN A 42 50.666 3.646 6.304 1.00 0.00 N ATOM 399 CA GLN A 42 50.723 5.090 6.364 1.00 0.00 C ATOM 400 C GLN A 42 51.059 5.692 5.031 1.00 0.00 C ATOM 401 O GLN A 42 50.502 6.728 4.670 1.00 0.00 O ATOM 402 CB GLN A 42 51.804 5.632 7.329 1.00 0.00 C ATOM 403 CG GLN A 42 51.602 5.366 8.827 1.00 0.00 C ATOM 404 CD GLN A 42 50.323 6.004 9.361 1.00 0.00 C ATOM 405 OE1 GLN A 42 49.987 7.161 9.109 1.00 0.00 O ATOM 406 NE2 GLN A 42 49.576 5.197 10.158 1.00 0.00 N ATOM 0 H GLN A 42 51.359 3.188 6.895 1.00 0.00 H new ATOM 0 HA GLN A 42 49.727 5.368 6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 42 52.763 5.205 7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 42 51.877 6.710 7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 42 51.569 4.291 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 42 52.457 5.753 9.381 1.00 0.00 H new ATOM 0 HE21 GLN A 42 49.882 4.243 10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 42 48.709 5.545 10.567 1.00 0.00 H new ATOM 410 N THR A 43 51.969 5.037 4.275 1.00 0.00 N ATOM 411 CA THR A 43 52.415 5.491 2.985 1.00 0.00 C ATOM 412 C THR A 43 51.317 5.325 1.953 1.00 0.00 C ATOM 413 O THR A 43 51.016 6.265 1.214 1.00 0.00 O ATOM 414 CB THR A 43 53.650 4.707 2.575 1.00 0.00 C ATOM 415 OG1 THR A 43 54.681 4.914 3.533 1.00 0.00 O ATOM 416 CG2 THR A 43 54.170 5.168 1.198 1.00 0.00 C ATOM 0 H THR A 43 52.408 4.165 4.570 1.00 0.00 H new ATOM 0 HA THR A 43 52.664 6.550 3.046 1.00 0.00 H new ATOM 0 HB THR A 43 53.377 3.653 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 43 55.478 4.407 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 43 55.054 4.589 0.931 1.00 0.00 H new ATOM 0 HG22 THR A 43 53.395 5.015 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 43 54.428 6.226 1.242 1.00 0.00 H new ATOM 419 N ILE A 44 50.654 4.143 1.954 1.00 0.00 N ATOM 420 CA ILE A 44 49.611 3.780 1.022 1.00 0.00 C ATOM 421 C ILE A 44 48.397 4.667 1.172 1.00 0.00 C ATOM 422 O ILE A 44 47.875 5.155 0.164 1.00 0.00 O ATOM 423 CB ILE A 44 49.261 2.297 1.194 1.00 0.00 C ATOM 424 CG1 ILE A 44 50.452 1.428 0.738 1.00 0.00 C ATOM 425 CG2 ILE A 44 47.976 1.900 0.445 1.00 0.00 C ATOM 426 CD1 ILE A 44 50.331 -0.051 1.117 1.00 0.00 C ATOM 0 H ILE A 44 50.852 3.408 2.633 1.00 0.00 H new ATOM 0 HA ILE A 44 49.978 3.933 0.007 1.00 0.00 H new ATOM 0 HB ILE A 44 49.065 2.124 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 44 50.552 1.507 -0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 44 51.368 1.829 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.776 0.840 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 44 47.139 2.487 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 44 48.102 2.092 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.208 -0.591 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.264 -0.145 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.435 -0.472 0.660 1.00 0.00 H new ATOM 428 N VAL A 45 47.969 4.951 2.425 1.00 0.00 N ATOM 429 CA VAL A 45 46.800 5.762 2.659 1.00 0.00 C ATOM 430 C VAL A 45 46.964 7.177 2.203 1.00 0.00 C ATOM 431 O VAL A 45 46.009 7.729 1.665 1.00 0.00 O ATOM 432 CB VAL A 45 46.216 5.722 4.067 1.00 0.00 C ATOM 433 CG1 VAL A 45 45.783 4.277 4.373 1.00 0.00 C ATOM 434 CG2 VAL A 45 47.170 6.318 5.122 1.00 0.00 C ATOM 0 H VAL A 45 48.430 4.621 3.273 1.00 0.00 H new ATOM 0 HA VAL A 45 46.059 5.269 2.030 1.00 0.00 H new ATOM 0 HB VAL A 45 45.337 6.364 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 45 45.362 4.228 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 45 45.032 3.961 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 45 46.648 3.617 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 45 46.704 6.264 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 45 48.102 5.753 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 45 47.379 7.359 4.876 1.00 0.00 H new ATOM 436 N ARG A 46 48.168 7.779 2.352 1.00 0.00 N ATOM 437 CA ARG A 46 48.381 9.145 1.945 1.00 0.00 C ATOM 438 C ARG A 46 48.336 9.347 0.459 1.00 0.00 C ATOM 439 O ARG A 46 47.654 10.263 -0.007 1.00 0.00 O ATOM 440 CB ARG A 46 49.693 9.743 2.489 1.00 0.00 C ATOM 441 CG ARG A 46 49.627 10.060 3.988 1.00 0.00 C ATOM 442 CD ARG A 46 50.781 10.925 4.511 1.00 0.00 C ATOM 443 NE ARG A 46 52.043 10.119 4.500 1.00 0.00 N ATOM 444 CZ ARG A 46 52.422 9.345 5.567 1.00 0.00 C ATOM 445 NH1 ARG A 46 51.691 9.297 6.723 1.00 0.00 N ATOM 446 NH2 ARG A 46 53.564 8.605 5.473 1.00 0.00 N ATOM 0 H ARG A 46 48.989 7.324 2.751 1.00 0.00 H new ATOM 0 HA ARG A 46 47.539 9.676 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 46 50.509 9.043 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 46 49.926 10.655 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 46 48.686 10.569 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 46 49.613 9.122 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 46 50.897 11.813 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 46 50.564 11.270 5.522 1.00 0.00 H new ATOM 0 HE ARG A 46 52.639 10.146 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 46 50.837 9.847 6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 46 52.001 8.711 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 46 54.121 8.633 4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 46 53.861 8.024 6.257 1.00 0.00 H new ATOM 453 N LYS A 47 48.996 8.453 -0.314 1.00 0.00 N ATOM 454 CA LYS A 47 49.055 8.547 -1.754 1.00 0.00 C ATOM 455 C LYS A 47 47.710 8.323 -2.372 1.00 0.00 C ATOM 456 O LYS A 47 47.275 9.105 -3.221 1.00 0.00 O ATOM 457 CB LYS A 47 50.012 7.498 -2.347 1.00 0.00 C ATOM 458 CG LYS A 47 51.476 7.783 -2.021 1.00 0.00 C ATOM 459 CD LYS A 47 52.444 6.737 -2.562 1.00 0.00 C ATOM 460 CE LYS A 47 53.890 7.017 -2.160 1.00 0.00 C ATOM 461 NZ LYS A 47 54.772 5.946 -2.657 1.00 0.00 N ATOM 0 H LYS A 47 49.498 7.650 0.065 1.00 0.00 H new ATOM 0 HA LYS A 47 49.411 9.553 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 47 49.745 6.512 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 47 49.885 7.467 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 47 51.745 8.758 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 47 51.592 7.846 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 47 52.152 5.753 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 47 52.372 6.707 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 47 54.208 7.978 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 47 53.967 7.087 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 55.753 6.147 -2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 54.476 5.036 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 54.710 5.899 -3.694 1.00 0.00 H new ATOM 466 N TYR A 48 46.998 7.278 -1.898 1.00 0.00 N ATOM 467 CA TYR A 48 45.701 6.931 -2.403 1.00 0.00 C ATOM 468 C TYR A 48 44.629 7.912 -2.043 1.00 0.00 C ATOM 469 O TYR A 48 43.694 8.088 -2.824 1.00 0.00 O ATOM 470 CB TYR A 48 45.299 5.497 -2.055 1.00 0.00 C ATOM 471 CG TYR A 48 46.042 4.584 -2.988 1.00 0.00 C ATOM 472 CD1 TYR A 48 47.197 3.918 -2.563 1.00 0.00 C ATOM 473 CD2 TYR A 48 45.591 4.364 -4.296 1.00 0.00 C ATOM 474 CE1 TYR A 48 47.896 3.060 -3.412 1.00 0.00 C ATOM 475 CE2 TYR A 48 46.284 3.505 -5.157 1.00 0.00 C ATOM 476 CZ TYR A 48 47.438 2.852 -4.712 1.00 0.00 C ATOM 477 OH TYR A 48 48.140 1.983 -5.575 1.00 0.00 O ATOM 0 H TYR A 48 47.329 6.665 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 48 45.800 6.984 -3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 48 45.546 5.270 -1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 48 44.223 5.363 -2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 48 47.555 4.072 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 48 44.699 4.863 -4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 48 48.787 2.559 -3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 48 45.928 3.347 -6.164 1.00 0.00 H new ATOM 0 HH TYR A 48 47.688 1.949 -6.444 1.00 0.00 H new ATOM 480 N LYS A 49 44.745 8.591 -0.872 1.00 0.00 N ATOM 481 CA LYS A 49 43.785 9.572 -0.424 1.00 0.00 C ATOM 482 C LYS A 49 43.815 10.736 -1.372 1.00 0.00 C ATOM 483 O LYS A 49 42.753 11.238 -1.737 1.00 0.00 O ATOM 484 CB LYS A 49 44.072 10.093 0.999 1.00 0.00 C ATOM 485 CG LYS A 49 43.024 11.032 1.606 1.00 0.00 C ATOM 486 CD LYS A 49 43.337 11.341 3.067 1.00 0.00 C ATOM 487 CE LYS A 49 42.303 12.199 3.790 1.00 0.00 C ATOM 488 NZ LYS A 49 42.672 12.289 5.217 1.00 0.00 N ATOM 0 H LYS A 49 45.521 8.455 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 49 42.809 9.086 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 49 44.185 9.234 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 49 45.030 10.613 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.990 11.960 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.037 10.575 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 49 43.443 10.399 3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 49 44.302 11.846 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 49 42.263 13.194 3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.310 11.762 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 41.862 12.646 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 42.937 11.346 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 43.477 12.938 5.327 1.00 0.00 H new ATOM 493 N HIS A 50 45.027 11.137 -1.837 1.00 0.00 N ATOM 494 CA HIS A 50 45.209 12.228 -2.758 1.00 0.00 C ATOM 495 C HIS A 50 44.537 11.909 -4.066 1.00 0.00 C ATOM 496 O HIS A 50 43.897 12.787 -4.645 1.00 0.00 O ATOM 497 CB HIS A 50 46.706 12.537 -3.022 1.00 0.00 C ATOM 498 CG HIS A 50 46.948 13.651 -4.007 1.00 0.00 C ATOM 499 ND1 HIS A 50 46.659 14.975 -3.764 1.00 0.00 N ATOM 500 CD2 HIS A 50 47.442 13.607 -5.278 1.00 0.00 C ATOM 501 CE1 HIS A 50 46.987 15.661 -4.888 1.00 0.00 C ATOM 502 NE2 HIS A 50 47.465 14.874 -5.834 1.00 0.00 N ATOM 0 H HIS A 50 45.901 10.688 -1.563 1.00 0.00 H new ATOM 0 HA HIS A 50 44.760 13.110 -2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 50 47.183 12.795 -2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 50 47.192 11.633 -3.388 1.00 0.00 H new ATOM 0 HD2 HIS A 50 47.769 12.709 -5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 50 46.870 16.729 -4.996 1.00 0.00 H new ATOM 0 HE2 HIS A 50 47.781 15.140 -6.767 1.00 0.00 H new ATOM 504 N HIS A 51 44.637 10.641 -4.534 1.00 0.00 N ATOM 505 CA HIS A 51 44.035 10.230 -5.774 1.00 0.00 C ATOM 506 C HIS A 51 42.536 10.196 -5.685 1.00 0.00 C ATOM 507 O HIS A 51 41.874 10.613 -6.633 1.00 0.00 O ATOM 508 CB HIS A 51 44.518 8.848 -6.264 1.00 0.00 C ATOM 509 CG HIS A 51 45.938 8.861 -6.752 1.00 0.00 C ATOM 510 ND1 HIS A 51 46.384 9.634 -7.800 1.00 0.00 N ATOM 511 CD2 HIS A 51 47.030 8.181 -6.304 1.00 0.00 C ATOM 512 CE1 HIS A 51 47.712 9.390 -7.932 1.00 0.00 C ATOM 513 NE2 HIS A 51 48.150 8.514 -7.046 1.00 0.00 N ATOM 0 H HIS A 51 45.139 9.898 -4.048 1.00 0.00 H new ATOM 0 HA HIS A 51 44.353 10.984 -6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 51 44.426 8.128 -5.451 1.00 0.00 H new ATOM 0 HB3 HIS A 51 43.867 8.506 -7.068 1.00 0.00 H new ATOM 0 HD1 HIS A 51 45.823 10.269 -8.369 1.00 0.00 H new ATOM 0 HD2 HIS A 51 47.023 7.479 -5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 51 48.339 9.858 -8.676 1.00 0.00 H new ATOM 515 N GLY A 52 41.973 9.750 -4.533 1.00 0.00 N ATOM 516 CA GLY A 52 40.547 9.665 -4.337 1.00 0.00 C ATOM 517 C GLY A 52 39.878 10.995 -4.167 1.00 0.00 C ATOM 518 O GLY A 52 38.722 11.155 -4.564 1.00 0.00 O ATOM 0 H GLY A 52 42.517 9.444 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 52 40.103 9.152 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 52 40.347 9.053 -3.457 1.00 0.00 H new ATOM 520 N THR A 53 40.585 11.968 -3.551 1.00 0.00 N ATOM 521 CA THR A 53 40.042 13.276 -3.316 1.00 0.00 C ATOM 522 C THR A 53 40.156 14.157 -4.539 1.00 0.00 C ATOM 523 O THR A 53 39.167 14.769 -4.949 1.00 0.00 O ATOM 524 CB THR A 53 40.743 13.932 -2.135 1.00 0.00 C ATOM 525 OG1 THR A 53 40.587 13.115 -0.982 1.00 0.00 O ATOM 526 CG2 THR A 53 40.141 15.317 -1.822 1.00 0.00 C ATOM 0 H THR A 53 41.540 11.846 -3.214 1.00 0.00 H new ATOM 0 HA THR A 53 38.983 13.157 -3.088 1.00 0.00 H new ATOM 0 HB THR A 53 41.795 14.050 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.235 12.380 -1.012 1.00 0.00 H new ATOM 0 HG21 THR A 53 40.664 15.758 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 53 40.249 15.965 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.084 15.208 -1.579 1.00 0.00 H new ATOM 529 N THR A 54 41.355 14.199 -5.162 1.00 0.00 N ATOM 530 CA THR A 54 41.609 15.071 -6.274 1.00 0.00 C ATOM 531 C THR A 54 41.545 14.523 -7.678 1.00 0.00 C ATOM 532 O THR A 54 40.814 15.094 -8.481 1.00 0.00 O ATOM 533 CB THR A 54 42.962 15.744 -6.041 1.00 0.00 C ATOM 534 OG1 THR A 54 42.912 16.461 -4.814 1.00 0.00 O ATOM 535 CG2 THR A 54 43.338 16.750 -7.154 1.00 0.00 C ATOM 0 H THR A 54 42.153 13.624 -4.892 1.00 0.00 H new ATOM 0 HA THR A 54 40.757 15.750 -6.269 1.00 0.00 H new ATOM 0 HB THR A 54 43.712 14.953 -6.031 1.00 0.00 H new ATOM 0 HG1 THR A 54 43.776 16.895 -4.654 1.00 0.00 H new ATOM 0 HG21 THR A 54 44.308 17.194 -6.931 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.388 16.231 -8.111 1.00 0.00 H new ATOM 0 HG23 THR A 54 42.583 17.535 -7.205 1.00 0.00 H new ATOM 538 N GLN A 55 42.266 13.423 -8.007 1.00 0.00 N ATOM 539 CA GLN A 55 42.319 12.955 -9.377 1.00 0.00 C ATOM 540 C GLN A 55 41.242 12.101 -9.991 1.00 0.00 C ATOM 541 O GLN A 55 40.686 12.478 -11.025 1.00 0.00 O ATOM 542 CB GLN A 55 43.650 12.236 -9.675 1.00 0.00 C ATOM 543 CG GLN A 55 44.873 13.165 -9.658 1.00 0.00 C ATOM 544 CD GLN A 55 46.173 12.379 -9.853 1.00 0.00 C ATOM 545 OE1 GLN A 55 46.223 11.211 -10.239 1.00 0.00 O ATOM 546 NE2 GLN A 55 47.305 13.062 -9.546 1.00 0.00 N ATOM 0 H GLN A 55 42.803 12.866 -7.343 1.00 0.00 H new ATOM 0 HA GLN A 55 42.167 13.926 -9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 55 43.797 11.444 -8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 55 43.583 11.757 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 55 44.776 13.912 -10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 55 44.910 13.704 -8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 55 47.247 14.029 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 55 48.214 12.608 -9.634 1.00 0.00 H new ATOM 550 N HIS A 56 40.928 10.946 -9.368 1.00 0.00 N ATOM 551 CA HIS A 56 39.966 9.980 -9.843 1.00 0.00 C ATOM 552 C HIS A 56 38.551 10.373 -9.577 1.00 0.00 C ATOM 553 O HIS A 56 38.249 10.999 -8.558 1.00 0.00 O ATOM 554 CB HIS A 56 40.201 8.583 -9.226 1.00 0.00 C ATOM 555 CG HIS A 56 41.483 7.920 -9.660 1.00 0.00 C ATOM 556 ND1 HIS A 56 42.035 6.844 -8.999 1.00 0.00 N ATOM 557 CD2 HIS A 56 42.340 8.199 -10.684 1.00 0.00 C ATOM 558 CE1 HIS A 56 43.188 6.533 -9.644 1.00 0.00 C ATOM 559 NE2 HIS A 56 43.415 7.328 -10.673 1.00 0.00 N ATOM 0 H HIS A 56 41.364 10.668 -8.489 1.00 0.00 H new ATOM 0 HA HIS A 56 40.120 9.946 -10.922 1.00 0.00 H new ATOM 0 HB2 HIS A 56 40.203 8.674 -8.140 1.00 0.00 H new ATOM 0 HB3 HIS A 56 39.364 7.937 -9.490 1.00 0.00 H new ATOM 0 HD2 HIS A 56 42.199 8.991 -11.404 1.00 0.00 H new ATOM 0 HE1 HIS A 56 43.844 5.728 -9.349 1.00 0.00 H new ATOM 0 HE2 HIS A 56 44.206 7.305 -11.316 1.00 0.00 H new ATOM 561 N HIS A 57 37.654 10.013 -10.527 1.00 0.00 N ATOM 562 CA HIS A 57 36.255 10.311 -10.412 1.00 0.00 C ATOM 563 C HIS A 57 35.513 9.056 -10.859 1.00 0.00 C ATOM 564 O HIS A 57 35.745 8.584 -12.003 1.00 0.00 O ATOM 565 CB HIS A 57 35.804 11.485 -11.307 1.00 0.00 C ATOM 566 CG HIS A 57 36.132 12.828 -10.718 1.00 0.00 C ATOM 567 ND1 HIS A 57 35.380 13.449 -9.745 1.00 0.00 N ATOM 568 CD2 HIS A 57 37.179 13.663 -10.966 1.00 0.00 C ATOM 569 CE1 HIS A 57 36.004 14.617 -9.454 1.00 0.00 C ATOM 570 NE2 HIS A 57 37.101 14.791 -10.168 1.00 0.00 N ATOM 571 OXT HIS A 57 34.703 8.540 -10.046 1.00 0.00 O ATOM 0 H HIS A 57 37.905 9.512 -11.379 1.00 0.00 H new ATOM 0 HA HIS A 57 36.043 10.603 -9.383 1.00 0.00 H new ATOM 0 HB2 HIS A 57 36.281 11.395 -12.283 1.00 0.00 H new ATOM 0 HB3 HIS A 57 34.728 11.418 -11.471 1.00 0.00 H new ATOM 0 HD2 HIS A 57 37.961 13.471 -11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 57 35.645 15.325 -8.721 1.00 0.00 H new ATOM 0 HE2 HIS A 57 37.747 15.580 -10.138 1.00 0.00 H new TER 573 HIS A 57