USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 795 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 33 SER OG : rot 180:sc= 0.811 USER MOD Set 1.2: A 36 THR OG1 : rot 88:sc= 0.932 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.00453 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.744 X(o=-0.74,f=-0.85) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 21:sc= -1.4 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -140:sc= 0.145 USER MOD Single : A 19 THR OG1 : rot -136:sc= -1.07 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-7.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -82:sc= 0.945 USER MOD Single : A 49 ASN : amide:sc= -0.874 K(o=-0.87,f=0.57) USER MOD Single : A 54 ASN : amide:sc= -0.0555 X(o=-0.056,f=-0.25) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.42! C(o=-6.4!,f=-11!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.174 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.826 1.324 -1.430 1.00 62.53 C ATOM 4 O MET A 1 2.257 2.395 -1.221 1.00 12.13 O ATOM 5 CB MET A 1 1.169 -0.259 -2.434 1.00 12.00 C ATOM 6 CG MET A 1 0.880 -1.732 -2.671 1.00 64.52 C ATOM 7 SD MET A 1 -0.858 -2.147 -2.435 1.00 14.22 S ATOM 8 CE MET A 1 -0.871 -3.862 -2.951 1.00 10.11 C ATOM 0 H1 MET A 1 0.405 -0.450 -0.160 1.00 0.00 H new ATOM 0 H2 MET A 1 1.850 -0.528 0.729 1.00 0.00 H new ATOM 0 H3 MET A 1 1.186 0.980 0.319 1.00 0.00 H new ATOM 0 HA MET A 1 2.832 -0.800 -1.184 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.227 0.266 -2.274 1.00 12.00 H new ATOM 0 HB3 MET A 1 1.621 0.163 -3.332 1.00 12.00 H new ATOM 0 HG2 MET A 1 1.178 -1.998 -3.685 1.00 64.52 H new ATOM 0 HG3 MET A 1 1.488 -2.331 -1.993 1.00 64.52 H new ATOM 0 HE1 MET A 1 -1.881 -4.261 -2.862 1.00 10.11 H new ATOM 0 HE2 MET A 1 -0.543 -3.932 -3.988 1.00 10.11 H new ATOM 0 HE3 MET A 1 -0.196 -4.438 -2.318 1.00 10.11 H new ATOM 18 N HIS A 2 4.093 1.243 -1.826 1.00 74.43 N ATOM 19 CA HIS A 2 4.904 2.435 -2.043 1.00 14.53 C ATOM 20 C HIS A 2 5.598 2.381 -3.400 1.00 4.10 C ATOM 21 O HIS A 2 6.745 2.808 -3.539 1.00 30.52 O ATOM 22 CB HIS A 2 5.943 2.580 -0.930 1.00 54.24 C ATOM 23 CG HIS A 2 5.359 2.999 0.384 1.00 52.44 C ATOM 24 ND1 HIS A 2 4.508 2.201 1.118 1.00 32.21 N ATOM 25 CD2 HIS A 2 5.509 4.141 1.095 1.00 22.25 C ATOM 26 CE1 HIS A 2 4.159 2.834 2.224 1.00 74.40 C ATOM 27 NE2 HIS A 2 4.753 4.013 2.235 1.00 62.03 N ATOM 0 H HIS A 2 4.579 0.364 -2.003 1.00 74.43 H new ATOM 0 HA HIS A 2 4.243 3.302 -2.028 1.00 14.53 H new ATOM 0 HB2 HIS A 2 6.461 1.629 -0.802 1.00 54.24 H new ATOM 0 HB3 HIS A 2 6.691 3.312 -1.236 1.00 54.24 H new ATOM 0 HD2 HIS A 2 6.111 4.994 0.818 1.00 22.25 H new ATOM 0 HE1 HIS A 2 3.500 2.452 2.989 1.00 74.40 H new ATOM 0 HE2 HIS A 2 4.665 4.715 2.970 1.00 62.03 H new ATOM 35 N ASP A 3 4.897 1.854 -4.397 1.00 61.33 N ATOM 36 CA ASP A 3 5.446 1.744 -5.744 1.00 23.22 C ATOM 37 C ASP A 3 5.341 3.074 -6.484 1.00 32.32 C ATOM 38 O ASP A 3 6.199 3.411 -7.300 1.00 10.33 O ATOM 39 CB ASP A 3 4.718 0.651 -6.527 1.00 74.12 C ATOM 40 CG ASP A 3 5.002 -0.737 -5.986 1.00 52.52 C ATOM 41 OD1 ASP A 3 4.739 -0.972 -4.788 1.00 51.00 O ATOM 42 OD2 ASP A 3 5.486 -1.587 -6.761 1.00 64.21 O ATOM 0 H ASP A 3 3.947 1.496 -4.298 1.00 61.33 H new ATOM 0 HA ASP A 3 6.500 1.478 -5.660 1.00 23.22 H new ATOM 0 HB2 ASP A 3 3.645 0.838 -6.494 1.00 74.12 H new ATOM 0 HB3 ASP A 3 5.017 0.698 -7.574 1.00 74.12 H new ATOM 47 N TYR A 4 4.283 3.824 -6.194 1.00 64.54 N ATOM 48 CA TYR A 4 4.064 5.115 -6.835 1.00 33.21 C ATOM 49 C TYR A 4 4.893 6.205 -6.162 1.00 61.45 C ATOM 50 O TYR A 4 5.611 6.952 -6.827 1.00 3.30 O ATOM 51 CB TYR A 4 2.580 5.485 -6.788 1.00 4.30 C ATOM 52 CG TYR A 4 2.244 6.737 -7.566 1.00 1.52 C ATOM 53 CD1 TYR A 4 2.099 6.703 -8.947 1.00 61.54 C ATOM 54 CD2 TYR A 4 2.072 7.955 -6.920 1.00 3.41 C ATOM 55 CE1 TYR A 4 1.793 7.844 -9.663 1.00 15.15 C ATOM 56 CE2 TYR A 4 1.764 9.102 -7.627 1.00 22.44 C ATOM 57 CZ TYR A 4 1.626 9.041 -8.998 1.00 34.04 C ATOM 58 OH TYR A 4 1.320 10.181 -9.705 1.00 61.24 O ATOM 0 H TYR A 4 3.565 3.560 -5.520 1.00 64.54 H new ATOM 0 HA TYR A 4 4.379 5.034 -7.875 1.00 33.21 H new ATOM 0 HB2 TYR A 4 1.994 4.654 -7.182 1.00 4.30 H new ATOM 0 HB3 TYR A 4 2.281 5.622 -5.749 1.00 4.30 H new ATOM 0 HD1 TYR A 4 2.228 5.767 -9.471 1.00 61.54 H new ATOM 0 HD2 TYR A 4 2.181 8.006 -5.847 1.00 3.41 H new ATOM 0 HE1 TYR A 4 1.685 7.799 -10.737 1.00 15.15 H new ATOM 0 HE2 TYR A 4 1.632 10.040 -7.109 1.00 22.44 H new ATOM 0 HH TYR A 4 1.235 10.937 -9.087 1.00 61.24 H new ATOM 68 N ILE A 5 4.789 6.287 -4.841 1.00 14.45 N ATOM 69 CA ILE A 5 5.530 7.284 -4.077 1.00 73.40 C ATOM 70 C ILE A 5 7.029 7.168 -4.332 1.00 32.24 C ATOM 71 O ILE A 5 7.770 8.141 -4.194 1.00 64.13 O ATOM 72 CB ILE A 5 5.265 7.146 -2.566 1.00 51.31 C ATOM 73 CG1 ILE A 5 5.922 8.299 -1.804 1.00 53.33 C ATOM 74 CG2 ILE A 5 5.779 5.808 -2.058 1.00 31.42 C ATOM 75 CD1 ILE A 5 7.314 7.980 -1.307 1.00 60.50 C ATOM 0 H ILE A 5 4.199 5.676 -4.277 1.00 14.45 H new ATOM 0 HA ILE A 5 5.182 8.261 -4.411 1.00 73.40 H new ATOM 0 HB ILE A 5 4.189 7.188 -2.395 1.00 51.31 H new ATOM 0 HG12 ILE A 5 5.968 9.173 -2.454 1.00 53.33 H new ATOM 0 HG13 ILE A 5 5.294 8.566 -0.954 1.00 53.33 H new ATOM 0 HG21 ILE A 5 5.584 5.726 -0.989 1.00 31.42 H new ATOM 0 HG22 ILE A 5 5.270 5.000 -2.583 1.00 31.42 H new ATOM 0 HG23 ILE A 5 6.852 5.738 -2.238 1.00 31.42 H new ATOM 0 HD11 ILE A 5 7.718 8.843 -0.777 1.00 60.50 H new ATOM 0 HD12 ILE A 5 7.272 7.126 -0.632 1.00 60.50 H new ATOM 0 HD13 ILE A 5 7.957 7.742 -2.154 1.00 60.50 H new ATOM 87 N LYS A 6 7.469 5.971 -4.705 1.00 41.23 N ATOM 88 CA LYS A 6 8.879 5.727 -4.983 1.00 64.21 C ATOM 89 C LYS A 6 9.400 6.690 -6.046 1.00 35.43 C ATOM 90 O LYS A 6 10.593 6.986 -6.096 1.00 73.34 O ATOM 91 CB LYS A 6 9.087 4.282 -5.443 1.00 51.14 C ATOM 92 CG LYS A 6 9.010 4.107 -6.950 1.00 74.22 C ATOM 93 CD LYS A 6 10.377 4.246 -7.599 1.00 13.04 C ATOM 94 CE LYS A 6 10.687 3.064 -8.504 1.00 23.23 C ATOM 95 NZ LYS A 6 11.619 3.437 -9.604 1.00 13.20 N ATOM 0 H LYS A 6 6.869 5.155 -4.822 1.00 41.23 H new ATOM 0 HA LYS A 6 9.438 5.893 -4.062 1.00 64.21 H new ATOM 0 HB2 LYS A 6 10.060 3.935 -5.094 1.00 51.14 H new ATOM 0 HB3 LYS A 6 8.335 3.648 -4.973 1.00 51.14 H new ATOM 0 HG2 LYS A 6 8.594 3.127 -7.182 1.00 74.22 H new ATOM 0 HG3 LYS A 6 8.330 4.849 -7.369 1.00 74.22 H new ATOM 0 HD2 LYS A 6 10.414 5.169 -8.178 1.00 13.04 H new ATOM 0 HD3 LYS A 6 11.142 4.324 -6.826 1.00 13.04 H new ATOM 0 HE2 LYS A 6 11.126 2.260 -7.913 1.00 23.23 H new ATOM 0 HE3 LYS A 6 9.760 2.679 -8.928 1.00 23.23 H new ATOM 0 HZ1 LYS A 6 11.805 2.604 -10.198 1.00 13.20 H new ATOM 0 HZ2 LYS A 6 11.190 4.187 -10.183 1.00 13.20 H new ATOM 0 HZ3 LYS A 6 12.513 3.781 -9.200 1.00 13.20 H new ATOM 109 N GLU A 7 8.496 7.175 -6.891 1.00 12.50 N ATOM 110 CA GLU A 7 8.865 8.106 -7.951 1.00 61.35 C ATOM 111 C GLU A 7 8.916 9.537 -7.426 1.00 51.40 C ATOM 112 O GLU A 7 9.603 10.391 -7.986 1.00 41.54 O ATOM 113 CB GLU A 7 7.872 8.012 -9.112 1.00 32.54 C ATOM 114 CG GLU A 7 7.620 6.589 -9.583 1.00 41.34 C ATOM 115 CD GLU A 7 7.063 6.532 -10.993 1.00 5.12 C ATOM 116 OE1 GLU A 7 6.193 7.366 -11.320 1.00 62.15 O ATOM 117 OE2 GLU A 7 7.497 5.654 -11.768 1.00 4.44 O ATOM 0 H GLU A 7 7.504 6.939 -6.862 1.00 12.50 H new ATOM 0 HA GLU A 7 9.858 7.833 -8.308 1.00 61.35 H new ATOM 0 HB2 GLU A 7 6.925 8.458 -8.807 1.00 32.54 H new ATOM 0 HB3 GLU A 7 8.247 8.602 -9.949 1.00 32.54 H new ATOM 0 HG2 GLU A 7 8.552 6.026 -9.541 1.00 41.34 H new ATOM 0 HG3 GLU A 7 6.923 6.102 -8.901 1.00 41.34 H new ATOM 124 N ARG A 8 8.183 9.792 -6.347 1.00 22.22 N ATOM 125 CA ARG A 8 8.143 11.120 -5.746 1.00 72.43 C ATOM 126 C ARG A 8 9.550 11.613 -5.423 1.00 21.12 C ATOM 127 O ARG A 8 9.831 12.810 -5.487 1.00 53.42 O ATOM 128 CB ARG A 8 7.292 11.102 -4.475 1.00 2.01 C ATOM 129 CG ARG A 8 6.721 12.461 -4.105 1.00 42.33 C ATOM 130 CD ARG A 8 5.218 12.513 -4.328 1.00 52.22 C ATOM 131 NE ARG A 8 4.657 13.816 -3.979 1.00 64.12 N ATOM 132 CZ ARG A 8 4.540 14.255 -2.731 1.00 4.00 C ATOM 133 NH1 ARG A 8 4.943 13.500 -1.718 1.00 60.45 N ATOM 134 NH2 ARG A 8 4.020 15.452 -2.494 1.00 1.43 N ATOM 0 H ARG A 8 7.609 9.096 -5.871 1.00 22.22 H new ATOM 0 HA ARG A 8 7.694 11.804 -6.466 1.00 72.43 H new ATOM 0 HB2 ARG A 8 6.472 10.396 -4.607 1.00 2.01 H new ATOM 0 HB3 ARG A 8 7.898 10.734 -3.647 1.00 2.01 H new ATOM 0 HG2 ARG A 8 6.943 12.678 -3.060 1.00 42.33 H new ATOM 0 HG3 ARG A 8 7.205 13.235 -4.701 1.00 42.33 H new ATOM 0 HD2 ARG A 8 4.999 12.292 -5.373 1.00 52.22 H new ATOM 0 HD3 ARG A 8 4.736 11.739 -3.731 1.00 52.22 H new ATOM 0 HE ARG A 8 4.338 14.422 -4.735 1.00 64.12 H new ATOM 0 HH11 ARG A 8 5.344 12.579 -1.896 1.00 60.45 H new ATOM 0 HH12 ARG A 8 4.852 13.840 -0.761 1.00 60.45 H new ATOM 0 HH21 ARG A 8 3.710 16.036 -3.271 1.00 1.43 H new ATOM 0 HH22 ARG A 8 3.930 15.788 -1.535 1.00 1.43 H new ATOM 148 N THR A 9 10.433 10.682 -5.074 1.00 34.22 N ATOM 149 CA THR A 9 11.810 11.021 -4.739 1.00 14.35 C ATOM 150 C THR A 9 12.662 11.166 -5.994 1.00 55.43 C ATOM 151 O THR A 9 13.640 11.914 -6.009 1.00 22.53 O ATOM 152 CB THR A 9 12.443 9.958 -3.822 1.00 63.42 C ATOM 153 OG1 THR A 9 13.828 10.254 -3.612 1.00 2.54 O ATOM 154 CG2 THR A 9 12.303 8.569 -4.428 1.00 4.04 C ATOM 0 H THR A 9 10.218 9.687 -5.016 1.00 34.22 H new ATOM 0 HA THR A 9 11.781 11.974 -4.211 1.00 14.35 H new ATOM 0 HB THR A 9 11.919 9.976 -2.866 1.00 63.42 H new ATOM 0 HG1 THR A 9 13.992 11.202 -3.801 1.00 2.54 H new ATOM 0 HG21 THR A 9 12.757 7.834 -3.763 1.00 4.04 H new ATOM 0 HG22 THR A 9 11.247 8.335 -4.560 1.00 4.04 H new ATOM 0 HG23 THR A 9 12.805 8.542 -5.395 1.00 4.04 H new ATOM 162 N ILE A 10 12.283 10.449 -7.046 1.00 61.54 N ATOM 163 CA ILE A 10 13.012 10.500 -8.308 1.00 23.45 C ATOM 164 C ILE A 10 13.215 11.939 -8.767 1.00 50.25 C ATOM 165 O ILE A 10 14.323 12.339 -9.125 1.00 64.40 O ATOM 166 CB ILE A 10 12.279 9.717 -9.414 1.00 5.54 C ATOM 167 CG1 ILE A 10 12.286 8.220 -9.099 1.00 52.13 C ATOM 168 CG2 ILE A 10 12.924 9.983 -10.766 1.00 12.21 C ATOM 169 CD1 ILE A 10 13.672 7.617 -9.061 1.00 23.44 C ATOM 0 H ILE A 10 11.476 9.826 -7.050 1.00 61.54 H new ATOM 0 HA ILE A 10 13.983 10.038 -8.131 1.00 23.45 H new ATOM 0 HB ILE A 10 11.244 10.055 -9.454 1.00 5.54 H new ATOM 0 HG12 ILE A 10 11.801 8.057 -8.136 1.00 52.13 H new ATOM 0 HG13 ILE A 10 11.691 7.697 -9.848 1.00 52.13 H new ATOM 0 HG21 ILE A 10 12.396 9.423 -11.538 1.00 12.21 H new ATOM 0 HG22 ILE A 10 12.872 11.048 -10.991 1.00 12.21 H new ATOM 0 HG23 ILE A 10 13.967 9.668 -10.740 1.00 12.21 H new ATOM 0 HD11 ILE A 10 13.600 6.554 -8.832 1.00 23.44 H new ATOM 0 HD12 ILE A 10 14.152 7.748 -10.031 1.00 23.44 H new ATOM 0 HD13 ILE A 10 14.264 8.114 -8.293 1.00 23.44 H new ATOM 181 N LYS A 11 12.137 12.716 -8.754 1.00 41.03 N ATOM 182 CA LYS A 11 12.195 14.113 -9.167 1.00 2.32 C ATOM 183 C LYS A 11 13.219 14.883 -8.339 1.00 24.22 C ATOM 184 O LYS A 11 13.988 15.683 -8.873 1.00 12.20 O ATOM 185 CB LYS A 11 10.818 14.765 -9.028 1.00 13.32 C ATOM 186 CG LYS A 11 9.691 13.939 -9.624 1.00 50.51 C ATOM 187 CD LYS A 11 8.378 14.705 -9.625 1.00 4.04 C ATOM 188 CE LYS A 11 7.186 13.767 -9.731 1.00 30.23 C ATOM 189 NZ LYS A 11 6.590 13.780 -11.095 1.00 73.23 N ATOM 0 H LYS A 11 11.212 12.401 -8.462 1.00 41.03 H new ATOM 0 HA LYS A 11 12.501 14.144 -10.213 1.00 2.32 H new ATOM 0 HB2 LYS A 11 10.612 14.937 -7.972 1.00 13.32 H new ATOM 0 HB3 LYS A 11 10.837 15.741 -9.512 1.00 13.32 H new ATOM 0 HG2 LYS A 11 9.948 13.654 -10.644 1.00 50.51 H new ATOM 0 HG3 LYS A 11 9.575 13.017 -9.055 1.00 50.51 H new ATOM 0 HD2 LYS A 11 8.299 15.294 -8.711 1.00 4.04 H new ATOM 0 HD3 LYS A 11 8.366 15.407 -10.459 1.00 4.04 H new ATOM 0 HE2 LYS A 11 7.498 12.753 -9.481 1.00 30.23 H new ATOM 0 HE3 LYS A 11 6.430 14.057 -9.001 1.00 30.23 H new ATOM 0 HZ1 LYS A 11 5.780 13.128 -11.126 1.00 73.23 H new ATOM 0 HZ2 LYS A 11 6.269 14.742 -11.324 1.00 73.23 H new ATOM 0 HZ3 LYS A 11 7.304 13.479 -11.789 1.00 73.23 H new ATOM 203 N ILE A 12 13.225 14.634 -7.034 1.00 3.34 N ATOM 204 CA ILE A 12 14.157 15.302 -6.133 1.00 41.35 C ATOM 205 C ILE A 12 15.598 14.916 -6.448 1.00 62.23 C ATOM 206 O ILE A 12 16.436 15.774 -6.723 1.00 22.41 O ATOM 207 CB ILE A 12 13.857 14.965 -4.661 1.00 0.20 C ATOM 208 CG1 ILE A 12 12.424 15.365 -4.305 1.00 54.14 C ATOM 209 CG2 ILE A 12 14.850 15.664 -3.745 1.00 24.24 C ATOM 210 CD1 ILE A 12 12.018 14.976 -2.901 1.00 64.30 C ATOM 0 H ILE A 12 12.595 13.975 -6.577 1.00 3.34 H new ATOM 0 HA ILE A 12 14.029 16.374 -6.285 1.00 41.35 H new ATOM 0 HB ILE A 12 13.959 13.889 -4.522 1.00 0.20 H new ATOM 0 HG12 ILE A 12 12.318 16.444 -4.419 1.00 54.14 H new ATOM 0 HG13 ILE A 12 11.739 14.900 -5.014 1.00 54.14 H new ATOM 0 HG21 ILE A 12 14.625 15.416 -2.708 1.00 24.24 H new ATOM 0 HG22 ILE A 12 15.861 15.335 -3.986 1.00 24.24 H new ATOM 0 HG23 ILE A 12 14.777 16.743 -3.884 1.00 24.24 H new ATOM 0 HD11 ILE A 12 10.991 15.291 -2.719 1.00 64.30 H new ATOM 0 HD12 ILE A 12 12.091 13.894 -2.787 1.00 64.30 H new ATOM 0 HD13 ILE A 12 12.679 15.462 -2.183 1.00 64.30 H new ATOM 222 N GLY A 13 15.879 13.617 -6.408 1.00 63.21 N ATOM 223 CA GLY A 13 17.220 13.139 -6.693 1.00 34.32 C ATOM 224 C GLY A 13 17.743 13.639 -8.024 1.00 40.14 C ATOM 225 O GLY A 13 18.944 13.854 -8.187 1.00 64.11 O ATOM 0 H GLY A 13 15.203 12.887 -6.183 1.00 63.21 H new ATOM 0 HA2 GLY A 13 17.893 13.460 -5.898 1.00 34.32 H new ATOM 0 HA3 GLY A 13 17.222 12.049 -6.692 1.00 34.32 H new ATOM 229 N LYS A 14 16.840 13.824 -8.981 1.00 41.24 N ATOM 230 CA LYS A 14 17.216 14.302 -10.307 1.00 21.13 C ATOM 231 C LYS A 14 17.285 15.825 -10.337 1.00 13.44 C ATOM 232 O LYS A 14 17.981 16.409 -11.168 1.00 22.23 O ATOM 233 CB LYS A 14 16.216 13.805 -11.353 1.00 51.21 C ATOM 234 CG LYS A 14 16.088 12.293 -11.402 1.00 61.55 C ATOM 235 CD LYS A 14 16.620 11.730 -12.710 1.00 51.31 C ATOM 236 CE LYS A 14 16.060 10.344 -12.989 1.00 63.23 C ATOM 237 NZ LYS A 14 15.058 10.361 -14.091 1.00 5.41 N ATOM 0 H LYS A 14 15.842 13.650 -8.863 1.00 41.24 H new ATOM 0 HA LYS A 14 18.204 13.907 -10.542 1.00 21.13 H new ATOM 0 HB2 LYS A 14 15.238 14.237 -11.142 1.00 51.21 H new ATOM 0 HB3 LYS A 14 16.520 14.167 -12.335 1.00 51.21 H new ATOM 0 HG2 LYS A 14 16.634 11.854 -10.567 1.00 61.55 H new ATOM 0 HG3 LYS A 14 15.042 12.011 -11.282 1.00 61.55 H new ATOM 0 HD2 LYS A 14 16.359 12.401 -13.529 1.00 51.31 H new ATOM 0 HD3 LYS A 14 17.708 11.683 -12.671 1.00 51.31 H new ATOM 0 HE2 LYS A 14 16.875 9.669 -13.250 1.00 63.23 H new ATOM 0 HE3 LYS A 14 15.597 9.950 -12.084 1.00 63.23 H new ATOM 0 HZ1 LYS A 14 14.701 9.397 -14.250 1.00 5.41 H new ATOM 0 HZ2 LYS A 14 14.268 10.985 -13.832 1.00 5.41 H new ATOM 0 HZ3 LYS A 14 15.505 10.712 -14.962 1.00 5.41 H new ATOM 251 N TYR A 15 16.560 16.464 -9.425 1.00 34.41 N ATOM 252 CA TYR A 15 16.538 17.919 -9.348 1.00 12.52 C ATOM 253 C TYR A 15 17.780 18.446 -8.635 1.00 72.12 C ATOM 254 O TYR A 15 18.378 19.436 -9.057 1.00 62.12 O ATOM 255 CB TYR A 15 15.279 18.394 -8.620 1.00 31.21 C ATOM 256 CG TYR A 15 15.066 19.889 -8.690 1.00 3.23 C ATOM 257 CD1 TYR A 15 15.688 20.742 -7.786 1.00 23.22 C ATOM 258 CD2 TYR A 15 14.243 20.449 -9.658 1.00 50.44 C ATOM 259 CE1 TYR A 15 15.496 22.109 -7.845 1.00 65.31 C ATOM 260 CE2 TYR A 15 14.047 21.815 -9.726 1.00 54.12 C ATOM 261 CZ TYR A 15 14.675 22.640 -8.817 1.00 43.54 C ATOM 262 OH TYR A 15 14.481 24.001 -8.881 1.00 1.33 O ATOM 0 H TYR A 15 15.980 15.996 -8.729 1.00 34.41 H new ATOM 0 HA TYR A 15 16.531 18.311 -10.365 1.00 12.52 H new ATOM 0 HB2 TYR A 15 14.411 17.892 -9.047 1.00 31.21 H new ATOM 0 HB3 TYR A 15 15.339 18.093 -7.574 1.00 31.21 H new ATOM 0 HD1 TYR A 15 16.333 20.329 -7.024 1.00 23.22 H new ATOM 0 HD2 TYR A 15 13.748 19.806 -10.370 1.00 50.44 H new ATOM 0 HE1 TYR A 15 15.986 22.758 -7.134 1.00 65.31 H new ATOM 0 HE2 TYR A 15 13.405 22.234 -10.487 1.00 54.12 H new ATOM 0 HH TYR A 15 13.541 24.188 -9.087 1.00 1.33 H new ATOM 272 N ILE A 16 18.161 17.776 -7.553 1.00 3.11 N ATOM 273 CA ILE A 16 19.333 18.174 -6.782 1.00 54.31 C ATOM 274 C ILE A 16 20.565 18.288 -7.673 1.00 54.24 C ATOM 275 O ILE A 16 21.432 19.132 -7.448 1.00 13.44 O ATOM 276 CB ILE A 16 19.625 17.176 -5.646 1.00 40.13 C ATOM 277 CG1 ILE A 16 20.135 15.852 -6.220 1.00 13.41 C ATOM 278 CG2 ILE A 16 18.377 16.950 -4.806 1.00 3.04 C ATOM 279 CD1 ILE A 16 21.643 15.753 -6.261 1.00 25.41 C ATOM 0 H ILE A 16 17.676 16.955 -7.190 1.00 3.11 H new ATOM 0 HA ILE A 16 19.110 19.149 -6.349 1.00 54.31 H new ATOM 0 HB ILE A 16 20.400 17.595 -5.004 1.00 40.13 H new ATOM 0 HG12 ILE A 16 19.741 15.030 -5.622 1.00 13.41 H new ATOM 0 HG13 ILE A 16 19.743 15.728 -7.230 1.00 13.41 H new ATOM 0 HG21 ILE A 16 18.599 16.242 -4.007 1.00 3.04 H new ATOM 0 HG22 ILE A 16 18.054 17.896 -4.373 1.00 3.04 H new ATOM 0 HG23 ILE A 16 17.583 16.549 -5.435 1.00 3.04 H new ATOM 0 HD11 ILE A 16 21.933 14.789 -6.679 1.00 25.41 H new ATOM 0 HD12 ILE A 16 22.043 16.554 -6.883 1.00 25.41 H new ATOM 0 HD13 ILE A 16 22.041 15.845 -5.251 1.00 25.41 H new ATOM 291 N VAL A 17 20.635 17.433 -8.689 1.00 13.31 N ATOM 292 CA VAL A 17 21.759 17.439 -9.617 1.00 41.31 C ATOM 293 C VAL A 17 21.543 18.453 -10.735 1.00 4.30 C ATOM 294 O VAL A 17 22.500 18.990 -11.292 1.00 3.11 O ATOM 295 CB VAL A 17 21.982 16.047 -10.238 1.00 2.34 C ATOM 296 CG1 VAL A 17 20.766 15.622 -11.047 1.00 23.05 C ATOM 297 CG2 VAL A 17 23.235 16.044 -11.101 1.00 31.24 C ATOM 0 H VAL A 17 19.926 16.728 -8.890 1.00 13.31 H new ATOM 0 HA VAL A 17 22.642 17.718 -9.042 1.00 41.31 H new ATOM 0 HB VAL A 17 22.122 15.326 -9.432 1.00 2.34 H new ATOM 0 HG11 VAL A 17 20.942 14.636 -11.478 1.00 23.05 H new ATOM 0 HG12 VAL A 17 19.892 15.583 -10.397 1.00 23.05 H new ATOM 0 HG13 VAL A 17 20.591 16.342 -11.847 1.00 23.05 H new ATOM 0 HG21 VAL A 17 23.378 15.053 -11.532 1.00 31.24 H new ATOM 0 HG22 VAL A 17 23.127 16.776 -11.902 1.00 31.24 H new ATOM 0 HG23 VAL A 17 24.099 16.301 -10.489 1.00 31.24 H new ATOM 307 N GLU A 18 20.280 18.711 -11.057 1.00 74.44 N ATOM 308 CA GLU A 18 19.939 19.661 -12.110 1.00 33.41 C ATOM 309 C GLU A 18 20.289 21.086 -11.691 1.00 32.42 C ATOM 310 O GLU A 18 20.725 21.897 -12.508 1.00 63.44 O ATOM 311 CB GLU A 18 18.449 19.568 -12.448 1.00 44.13 C ATOM 312 CG GLU A 18 18.176 19.198 -13.896 1.00 61.53 C ATOM 313 CD GLU A 18 16.695 19.073 -14.197 1.00 41.21 C ATOM 314 OE1 GLU A 18 15.890 19.132 -13.244 1.00 52.32 O ATOM 315 OE2 GLU A 18 16.341 18.917 -15.384 1.00 63.43 O ATOM 0 H GLU A 18 19.476 18.276 -10.604 1.00 74.44 H new ATOM 0 HA GLU A 18 20.522 19.408 -12.996 1.00 33.41 H new ATOM 0 HB2 GLU A 18 17.983 18.827 -11.798 1.00 44.13 H new ATOM 0 HB3 GLU A 18 17.975 20.525 -12.231 1.00 44.13 H new ATOM 0 HG2 GLU A 18 18.613 19.954 -14.549 1.00 61.53 H new ATOM 0 HG3 GLU A 18 18.670 18.254 -14.125 1.00 61.53 H new ATOM 322 N THR A 19 20.094 21.385 -10.410 1.00 75.52 N ATOM 323 CA THR A 19 20.386 22.711 -9.882 1.00 22.23 C ATOM 324 C THR A 19 21.653 22.698 -9.034 1.00 31.43 C ATOM 325 O THR A 19 22.263 23.740 -8.793 1.00 73.22 O ATOM 326 CB THR A 19 19.219 23.247 -9.032 1.00 13.11 C ATOM 327 OG1 THR A 19 19.189 22.582 -7.764 1.00 62.44 O ATOM 328 CG2 THR A 19 17.891 23.046 -9.747 1.00 64.53 C ATOM 0 H THR A 19 19.735 20.726 -9.719 1.00 75.52 H new ATOM 0 HA THR A 19 20.532 23.367 -10.740 1.00 22.23 H new ATOM 0 HB THR A 19 19.373 24.315 -8.878 1.00 13.11 H new ATOM 0 HG1 THR A 19 18.265 22.340 -7.543 1.00 62.44 H new ATOM 0 HG21 THR A 19 17.082 23.432 -9.127 1.00 64.53 H new ATOM 0 HG22 THR A 19 17.906 23.578 -10.698 1.00 64.53 H new ATOM 0 HG23 THR A 19 17.733 21.983 -9.929 1.00 64.53 H new ATOM 336 N LYS A 20 22.045 21.511 -8.583 1.00 20.21 N ATOM 337 CA LYS A 20 23.241 21.360 -7.763 1.00 1.53 C ATOM 338 C LYS A 20 23.073 22.067 -6.421 1.00 61.50 C ATOM 339 O LYS A 20 24.053 22.364 -5.737 1.00 52.43 O ATOM 340 CB LYS A 20 24.462 21.921 -8.497 1.00 35.24 C ATOM 341 CG LYS A 20 24.590 21.428 -9.928 1.00 31.04 C ATOM 342 CD LYS A 20 24.895 19.940 -9.980 1.00 14.23 C ATOM 343 CE LYS A 20 26.231 19.622 -9.327 1.00 62.22 C ATOM 344 NZ LYS A 20 27.068 18.735 -10.182 1.00 4.22 N ATOM 0 H LYS A 20 21.551 20.639 -8.772 1.00 20.21 H new ATOM 0 HA LYS A 20 23.393 20.297 -7.578 1.00 1.53 H new ATOM 0 HB2 LYS A 20 24.405 23.010 -8.500 1.00 35.24 H new ATOM 0 HB3 LYS A 20 25.363 21.650 -7.946 1.00 35.24 H new ATOM 0 HG2 LYS A 20 23.665 21.630 -10.467 1.00 31.04 H new ATOM 0 HG3 LYS A 20 25.381 21.980 -10.435 1.00 31.04 H new ATOM 0 HD2 LYS A 20 24.102 19.387 -9.476 1.00 14.23 H new ATOM 0 HD3 LYS A 20 24.907 19.606 -11.018 1.00 14.23 H new ATOM 0 HE2 LYS A 20 26.769 20.549 -9.130 1.00 62.22 H new ATOM 0 HE3 LYS A 20 26.059 19.142 -8.364 1.00 62.22 H new ATOM 0 HZ1 LYS A 20 27.970 18.541 -9.702 1.00 4.22 H new ATOM 0 HZ2 LYS A 20 26.566 17.840 -10.350 1.00 4.22 H new ATOM 0 HZ3 LYS A 20 27.253 19.204 -11.092 1.00 4.22 H new ATOM 358 N LYS A 21 21.825 22.331 -6.049 1.00 23.32 N ATOM 359 CA LYS A 21 21.528 22.999 -4.788 1.00 12.14 C ATOM 360 C LYS A 21 21.424 21.990 -3.648 1.00 42.13 C ATOM 361 O LYS A 21 21.634 20.792 -3.844 1.00 51.51 O ATOM 362 CB LYS A 21 20.223 23.791 -4.902 1.00 3.12 C ATOM 363 CG LYS A 21 20.428 25.249 -5.277 1.00 74.45 C ATOM 364 CD LYS A 21 19.908 25.542 -6.675 1.00 3.20 C ATOM 365 CE LYS A 21 19.224 26.899 -6.742 1.00 30.14 C ATOM 366 NZ LYS A 21 20.191 28.017 -6.561 1.00 14.23 N ATOM 0 H LYS A 21 21.003 22.092 -6.603 1.00 23.32 H new ATOM 0 HA LYS A 21 22.346 23.686 -4.568 1.00 12.14 H new ATOM 0 HB2 LYS A 21 19.585 23.319 -5.649 1.00 3.12 H new ATOM 0 HB3 LYS A 21 19.692 23.740 -3.951 1.00 3.12 H new ATOM 0 HG2 LYS A 21 19.916 25.887 -4.556 1.00 74.45 H new ATOM 0 HG3 LYS A 21 21.489 25.494 -5.223 1.00 74.45 H new ATOM 0 HD2 LYS A 21 20.735 25.515 -7.385 1.00 3.20 H new ATOM 0 HD3 LYS A 21 19.205 24.764 -6.974 1.00 3.20 H new ATOM 0 HE2 LYS A 21 18.722 27.005 -7.703 1.00 30.14 H new ATOM 0 HE3 LYS A 21 18.454 26.956 -5.972 1.00 30.14 H new ATOM 0 HZ1 LYS A 21 19.686 28.925 -6.613 1.00 14.23 H new ATOM 0 HZ2 LYS A 21 20.652 27.930 -5.633 1.00 14.23 H new ATOM 0 HZ3 LYS A 21 20.911 27.978 -7.310 1.00 14.23 H new ATOM 380 N THR A 22 21.098 22.481 -2.457 1.00 11.13 N ATOM 381 CA THR A 22 20.966 21.623 -1.286 1.00 71.34 C ATOM 382 C THR A 22 19.522 21.176 -1.092 1.00 75.34 C ATOM 383 O THR A 22 18.601 21.740 -1.684 1.00 45.42 O ATOM 384 CB THR A 22 21.446 22.337 -0.009 1.00 24.32 C ATOM 385 OG1 THR A 22 20.479 23.309 0.402 1.00 31.13 O ATOM 386 CG2 THR A 22 22.788 23.015 -0.240 1.00 40.33 C ATOM 0 H THR A 22 20.920 23.469 -2.278 1.00 11.13 H new ATOM 0 HA THR A 22 21.594 20.749 -1.462 1.00 71.34 H new ATOM 0 HB THR A 22 21.565 21.590 0.776 1.00 24.32 H new ATOM 0 HG1 THR A 22 20.791 23.757 1.216 1.00 31.13 H new ATOM 0 HG21 THR A 22 23.107 23.513 0.676 1.00 40.33 H new ATOM 0 HG22 THR A 22 23.529 22.268 -0.524 1.00 40.33 H new ATOM 0 HG23 THR A 22 22.691 23.751 -1.038 1.00 40.33 H new ATOM 394 N VAL A 23 19.329 20.158 -0.259 1.00 15.31 N ATOM 395 CA VAL A 23 17.995 19.637 0.015 1.00 71.43 C ATOM 396 C VAL A 23 17.054 20.746 0.472 1.00 60.41 C ATOM 397 O VAL A 23 15.842 20.666 0.274 1.00 74.03 O ATOM 398 CB VAL A 23 18.033 18.535 1.090 1.00 30.24 C ATOM 399 CG1 VAL A 23 18.630 17.256 0.524 1.00 70.40 C ATOM 400 CG2 VAL A 23 18.816 19.005 2.307 1.00 40.42 C ATOM 0 H VAL A 23 20.080 19.678 0.238 1.00 15.31 H new ATOM 0 HA VAL A 23 17.624 19.212 -0.918 1.00 71.43 H new ATOM 0 HB VAL A 23 17.011 18.323 1.403 1.00 30.24 H new ATOM 0 HG11 VAL A 23 18.648 16.489 1.298 1.00 70.40 H new ATOM 0 HG12 VAL A 23 18.024 16.911 -0.314 1.00 70.40 H new ATOM 0 HG13 VAL A 23 19.646 17.450 0.181 1.00 70.40 H new ATOM 0 HG21 VAL A 23 18.833 18.214 3.057 1.00 40.42 H new ATOM 0 HG22 VAL A 23 19.837 19.247 2.012 1.00 40.42 H new ATOM 0 HG23 VAL A 23 18.340 19.892 2.726 1.00 40.42 H new ATOM 410 N ARG A 24 17.621 21.780 1.084 1.00 30.02 N ATOM 411 CA ARG A 24 16.833 22.906 1.570 1.00 34.25 C ATOM 412 C ARG A 24 16.184 23.656 0.411 1.00 14.11 C ATOM 413 O ARG A 24 15.133 24.277 0.570 1.00 13.34 O ATOM 414 CB ARG A 24 17.712 23.860 2.381 1.00 63.24 C ATOM 415 CG ARG A 24 17.022 25.165 2.743 1.00 23.44 C ATOM 416 CD ARG A 24 17.433 25.646 4.126 1.00 12.12 C ATOM 417 NE ARG A 24 18.874 25.858 4.226 1.00 3.14 N ATOM 418 CZ ARG A 24 19.494 26.170 5.359 1.00 23.21 C ATOM 419 NH1 ARG A 24 18.802 26.305 6.482 1.00 64.30 N ATOM 420 NH2 ARG A 24 20.809 26.347 5.370 1.00 23.21 N ATOM 0 H ARG A 24 18.623 21.861 1.255 1.00 30.02 H new ATOM 0 HA ARG A 24 16.045 22.514 2.213 1.00 34.25 H new ATOM 0 HB2 ARG A 24 18.028 23.360 3.296 1.00 63.24 H new ATOM 0 HB3 ARG A 24 18.614 24.082 1.811 1.00 63.24 H new ATOM 0 HG2 ARG A 24 17.269 25.926 2.003 1.00 23.44 H new ATOM 0 HG3 ARG A 24 15.941 25.028 2.710 1.00 23.44 H new ATOM 0 HD2 ARG A 24 16.913 26.576 4.356 1.00 12.12 H new ATOM 0 HD3 ARG A 24 17.122 24.914 4.872 1.00 12.12 H new ATOM 0 HE ARG A 24 19.435 25.761 3.380 1.00 3.14 H new ATOM 0 HH11 ARG A 24 17.791 26.169 6.478 1.00 64.30 H new ATOM 0 HH12 ARG A 24 19.281 26.545 7.350 1.00 64.30 H new ATOM 0 HH21 ARG A 24 21.345 26.244 4.508 1.00 23.21 H new ATOM 0 HH22 ARG A 24 21.284 26.587 6.240 1.00 23.21 H new ATOM 434 N VAL A 25 16.817 23.594 -0.756 1.00 3.42 N ATOM 435 CA VAL A 25 16.302 24.267 -1.942 1.00 51.22 C ATOM 436 C VAL A 25 15.269 23.404 -2.658 1.00 14.41 C ATOM 437 O VAL A 25 14.354 23.920 -3.301 1.00 74.52 O ATOM 438 CB VAL A 25 17.434 24.615 -2.927 1.00 3.25 C ATOM 439 CG1 VAL A 25 16.910 25.486 -4.058 1.00 74.42 C ATOM 440 CG2 VAL A 25 18.579 25.305 -2.199 1.00 73.22 C ATOM 0 H VAL A 25 17.688 23.084 -0.905 1.00 3.42 H new ATOM 0 HA VAL A 25 15.830 25.189 -1.602 1.00 51.22 H new ATOM 0 HB VAL A 25 17.813 23.689 -3.360 1.00 3.25 H new ATOM 0 HG11 VAL A 25 17.724 25.721 -4.743 1.00 74.42 H new ATOM 0 HG12 VAL A 25 16.126 24.952 -4.595 1.00 74.42 H new ATOM 0 HG13 VAL A 25 16.503 26.410 -3.647 1.00 74.42 H new ATOM 0 HG21 VAL A 25 19.370 25.544 -2.909 1.00 73.22 H new ATOM 0 HG22 VAL A 25 18.216 26.223 -1.738 1.00 73.22 H new ATOM 0 HG23 VAL A 25 18.972 24.642 -1.428 1.00 73.22 H new ATOM 450 N ILE A 26 15.421 22.090 -2.541 1.00 73.31 N ATOM 451 CA ILE A 26 14.500 21.155 -3.176 1.00 14.22 C ATOM 452 C ILE A 26 13.257 20.940 -2.318 1.00 41.13 C ATOM 453 O ILE A 26 12.164 20.713 -2.837 1.00 4.22 O ATOM 454 CB ILE A 26 15.170 19.794 -3.438 1.00 64.12 C ATOM 455 CG1 ILE A 26 16.296 19.945 -4.463 1.00 64.20 C ATOM 456 CG2 ILE A 26 14.142 18.781 -3.918 1.00 62.52 C ATOM 457 CD1 ILE A 26 17.670 20.059 -3.839 1.00 71.44 C ATOM 0 H ILE A 26 16.173 21.648 -2.012 1.00 73.31 H new ATOM 0 HA ILE A 26 14.210 21.597 -4.129 1.00 14.22 H new ATOM 0 HB ILE A 26 15.600 19.431 -2.504 1.00 64.12 H new ATOM 0 HG12 ILE A 26 16.281 19.088 -5.136 1.00 64.20 H new ATOM 0 HG13 ILE A 26 16.107 20.830 -5.071 1.00 64.20 H new ATOM 0 HG21 ILE A 26 14.631 17.824 -4.099 1.00 62.52 H new ATOM 0 HG22 ILE A 26 13.371 18.657 -3.157 1.00 62.52 H new ATOM 0 HG23 ILE A 26 13.686 19.136 -4.842 1.00 62.52 H new ATOM 0 HD11 ILE A 26 18.419 20.163 -4.624 1.00 71.44 H new ATOM 0 HD12 ILE A 26 17.703 20.933 -3.188 1.00 71.44 H new ATOM 0 HD13 ILE A 26 17.880 19.163 -3.254 1.00 71.44 H new ATOM 469 N ALA A 27 13.432 21.015 -1.003 1.00 63.01 N ATOM 470 CA ALA A 27 12.325 20.832 -0.073 1.00 52.42 C ATOM 471 C ALA A 27 11.336 21.990 -0.163 1.00 61.11 C ATOM 472 O ALA A 27 10.123 21.783 -0.194 1.00 32.01 O ATOM 473 CB ALA A 27 12.847 20.691 1.349 1.00 43.22 C ATOM 0 H ALA A 27 14.330 21.201 -0.558 1.00 63.01 H new ATOM 0 HA ALA A 27 11.800 19.917 -0.347 1.00 52.42 H new ATOM 0 HB1 ALA A 27 12.009 20.555 2.032 1.00 43.22 H new ATOM 0 HB2 ALA A 27 13.509 19.827 1.410 1.00 43.22 H new ATOM 0 HB3 ALA A 27 13.398 21.590 1.625 1.00 43.22 H new ATOM 479 N LYS A 28 11.862 23.209 -0.204 1.00 41.31 N ATOM 480 CA LYS A 28 11.027 24.401 -0.291 1.00 15.12 C ATOM 481 C LYS A 28 10.229 24.413 -1.591 1.00 30.10 C ATOM 482 O LYS A 28 9.125 24.952 -1.647 1.00 15.54 O ATOM 483 CB LYS A 28 11.889 25.662 -0.198 1.00 21.33 C ATOM 484 CG LYS A 28 13.009 25.709 -1.222 1.00 44.23 C ATOM 485 CD LYS A 28 12.539 26.313 -2.535 1.00 4.31 C ATOM 486 CE LYS A 28 13.098 27.714 -2.735 1.00 74.03 C ATOM 487 NZ LYS A 28 12.724 28.275 -4.063 1.00 43.12 N ATOM 0 H LYS A 28 12.864 23.398 -0.178 1.00 41.31 H new ATOM 0 HA LYS A 28 10.327 24.385 0.545 1.00 15.12 H new ATOM 0 HB2 LYS A 28 11.253 26.537 -0.327 1.00 21.33 H new ATOM 0 HB3 LYS A 28 12.319 25.725 0.802 1.00 21.33 H new ATOM 0 HG2 LYS A 28 13.839 26.295 -0.828 1.00 44.23 H new ATOM 0 HG3 LYS A 28 13.385 24.701 -1.398 1.00 44.23 H new ATOM 0 HD2 LYS A 28 12.849 25.675 -3.362 1.00 4.31 H new ATOM 0 HD3 LYS A 28 11.450 26.349 -2.551 1.00 4.31 H new ATOM 0 HE2 LYS A 28 12.728 28.369 -1.946 1.00 74.03 H new ATOM 0 HE3 LYS A 28 14.184 27.688 -2.644 1.00 74.03 H new ATOM 0 HZ1 LYS A 28 13.123 29.230 -4.161 1.00 43.12 H new ATOM 0 HZ2 LYS A 28 13.099 27.664 -4.816 1.00 43.12 H new ATOM 0 HZ3 LYS A 28 11.688 28.323 -4.140 1.00 43.12 H new ATOM 501 N GLU A 29 10.796 23.813 -2.633 1.00 52.33 N ATOM 502 CA GLU A 29 10.136 23.755 -3.932 1.00 52.22 C ATOM 503 C GLU A 29 8.969 22.772 -3.906 1.00 63.33 C ATOM 504 O GLU A 29 7.910 23.033 -4.477 1.00 32.24 O ATOM 505 CB GLU A 29 11.134 23.351 -5.019 1.00 22.32 C ATOM 506 CG GLU A 29 12.015 24.495 -5.493 1.00 31.44 C ATOM 507 CD GLU A 29 12.012 24.647 -7.001 1.00 61.23 C ATOM 508 OE1 GLU A 29 11.969 23.614 -7.702 1.00 51.43 O ATOM 509 OE2 GLU A 29 12.053 25.799 -7.481 1.00 12.42 O ATOM 0 H GLU A 29 11.710 23.361 -2.603 1.00 52.33 H new ATOM 0 HA GLU A 29 9.747 24.748 -4.158 1.00 52.22 H new ATOM 0 HB2 GLU A 29 11.767 22.549 -4.639 1.00 22.32 H new ATOM 0 HB3 GLU A 29 10.587 22.948 -5.871 1.00 22.32 H new ATOM 0 HG2 GLU A 29 11.674 25.424 -5.037 1.00 31.44 H new ATOM 0 HG3 GLU A 29 13.036 24.328 -5.150 1.00 31.44 H new ATOM 516 N PHE A 30 9.172 21.639 -3.241 1.00 44.41 N ATOM 517 CA PHE A 30 8.139 20.615 -3.142 1.00 2.23 C ATOM 518 C PHE A 30 7.114 20.979 -2.072 1.00 12.12 C ATOM 519 O PHE A 30 5.972 20.523 -2.110 1.00 21.32 O ATOM 520 CB PHE A 30 8.767 19.257 -2.822 1.00 33.14 C ATOM 521 CG PHE A 30 9.352 18.569 -4.022 1.00 0.31 C ATOM 522 CD1 PHE A 30 10.332 19.187 -4.782 1.00 10.44 C ATOM 523 CD2 PHE A 30 8.922 17.305 -4.391 1.00 33.14 C ATOM 524 CE1 PHE A 30 10.873 18.557 -5.887 1.00 10.35 C ATOM 525 CE2 PHE A 30 9.459 16.670 -5.494 1.00 63.31 C ATOM 526 CZ PHE A 30 10.435 17.297 -6.244 1.00 1.13 C ATOM 0 H PHE A 30 10.043 21.407 -2.763 1.00 44.41 H new ATOM 0 HA PHE A 30 7.629 20.554 -4.103 1.00 2.23 H new ATOM 0 HB2 PHE A 30 9.549 19.394 -2.075 1.00 33.14 H new ATOM 0 HB3 PHE A 30 8.010 18.612 -2.376 1.00 33.14 H new ATOM 0 HD1 PHE A 30 10.677 20.173 -4.508 1.00 10.44 H new ATOM 0 HD2 PHE A 30 8.158 16.810 -3.810 1.00 33.14 H new ATOM 0 HE1 PHE A 30 11.637 19.049 -6.470 1.00 10.35 H new ATOM 0 HE2 PHE A 30 9.116 15.684 -5.770 1.00 63.31 H new ATOM 0 HZ PHE A 30 10.855 16.803 -7.108 1.00 1.13 H new ATOM 536 N GLY A 31 7.531 21.805 -1.117 1.00 23.12 N ATOM 537 CA GLY A 31 6.638 22.216 -0.049 1.00 44.12 C ATOM 538 C GLY A 31 6.731 21.312 1.164 1.00 12.43 C ATOM 539 O GLY A 31 5.770 21.177 1.921 1.00 14.25 O ATOM 0 H GLY A 31 8.471 22.197 -1.064 1.00 23.12 H new ATOM 0 HA2 GLY A 31 6.874 23.239 0.245 1.00 44.12 H new ATOM 0 HA3 GLY A 31 5.612 22.219 -0.418 1.00 44.12 H new ATOM 543 N VAL A 32 7.891 20.690 1.350 1.00 73.02 N ATOM 544 CA VAL A 32 8.105 19.794 2.480 1.00 62.34 C ATOM 545 C VAL A 32 9.335 20.204 3.281 1.00 45.12 C ATOM 546 O VAL A 32 10.022 21.166 2.935 1.00 71.51 O ATOM 547 CB VAL A 32 8.272 18.335 2.015 1.00 60.33 C ATOM 548 CG1 VAL A 32 6.955 17.789 1.484 1.00 11.23 C ATOM 549 CG2 VAL A 32 9.364 18.234 0.960 1.00 32.53 C ATOM 0 H VAL A 32 8.697 20.790 0.733 1.00 73.02 H new ATOM 0 HA VAL A 32 7.221 19.867 3.114 1.00 62.34 H new ATOM 0 HB VAL A 32 8.569 17.731 2.872 1.00 60.33 H new ATOM 0 HG11 VAL A 32 7.093 16.757 1.160 1.00 11.23 H new ATOM 0 HG12 VAL A 32 6.202 17.825 2.272 1.00 11.23 H new ATOM 0 HG13 VAL A 32 6.625 18.393 0.639 1.00 11.23 H new ATOM 0 HG21 VAL A 32 9.469 17.196 0.643 1.00 32.53 H new ATOM 0 HG22 VAL A 32 9.099 18.851 0.101 1.00 32.53 H new ATOM 0 HG23 VAL A 32 10.308 18.582 1.379 1.00 32.53 H new ATOM 559 N SER A 33 9.609 19.468 4.353 1.00 11.35 N ATOM 560 CA SER A 33 10.755 19.757 5.207 1.00 45.52 C ATOM 561 C SER A 33 11.946 18.880 4.833 1.00 42.25 C ATOM 562 O SER A 33 11.781 17.737 4.405 1.00 11.42 O ATOM 563 CB SER A 33 10.391 19.542 6.677 1.00 50.10 C ATOM 564 OG SER A 33 9.941 18.218 6.902 1.00 75.50 O ATOM 0 H SER A 33 9.053 18.667 4.651 1.00 11.35 H new ATOM 0 HA SER A 33 11.033 20.800 5.058 1.00 45.52 H new ATOM 0 HB2 SER A 33 11.259 19.746 7.304 1.00 50.10 H new ATOM 0 HB3 SER A 33 9.614 20.248 6.970 1.00 50.10 H new ATOM 0 HG SER A 33 9.716 18.105 7.849 1.00 75.50 H new ATOM 570 N LYS A 34 13.148 19.423 4.996 1.00 13.42 N ATOM 571 CA LYS A 34 14.368 18.692 4.678 1.00 43.24 C ATOM 572 C LYS A 34 14.384 17.332 5.368 1.00 53.12 C ATOM 573 O LYS A 34 14.816 16.336 4.788 1.00 71.00 O ATOM 574 CB LYS A 34 15.597 19.503 5.097 1.00 71.42 C ATOM 575 CG LYS A 34 15.660 20.883 4.465 1.00 33.43 C ATOM 576 CD LYS A 34 15.322 21.971 5.470 1.00 3.41 C ATOM 577 CE LYS A 34 14.280 22.933 4.921 1.00 52.13 C ATOM 578 NZ LYS A 34 13.684 23.777 5.993 1.00 2.32 N ATOM 0 H LYS A 34 13.303 20.368 5.347 1.00 13.42 H new ATOM 0 HA LYS A 34 14.395 18.533 3.600 1.00 43.24 H new ATOM 0 HB2 LYS A 34 15.599 19.609 6.182 1.00 71.42 H new ATOM 0 HB3 LYS A 34 16.496 18.949 4.829 1.00 71.42 H new ATOM 0 HG2 LYS A 34 16.658 21.055 4.063 1.00 33.43 H new ATOM 0 HG3 LYS A 34 14.966 20.932 3.626 1.00 33.43 H new ATOM 0 HD2 LYS A 34 14.951 21.517 6.389 1.00 3.41 H new ATOM 0 HD3 LYS A 34 16.226 22.522 5.729 1.00 3.41 H new ATOM 0 HE2 LYS A 34 14.738 23.573 4.168 1.00 52.13 H new ATOM 0 HE3 LYS A 34 13.492 22.369 4.423 1.00 52.13 H new ATOM 0 HZ1 LYS A 34 12.979 24.419 5.578 1.00 2.32 H new ATOM 0 HZ2 LYS A 34 13.224 23.168 6.699 1.00 2.32 H new ATOM 0 HZ3 LYS A 34 14.432 24.335 6.452 1.00 2.32 H new ATOM 592 N SER A 35 13.908 17.298 6.609 1.00 61.34 N ATOM 593 CA SER A 35 13.870 16.060 7.378 1.00 34.14 C ATOM 594 C SER A 35 13.019 15.008 6.674 1.00 55.05 C ATOM 595 O SER A 35 13.275 13.808 6.783 1.00 12.55 O ATOM 596 CB SER A 35 13.317 16.324 8.780 1.00 30.55 C ATOM 597 OG SER A 35 13.431 15.172 9.599 1.00 43.05 O ATOM 0 H SER A 35 13.544 18.113 7.103 1.00 61.34 H new ATOM 0 HA SER A 35 14.889 15.681 7.461 1.00 34.14 H new ATOM 0 HB2 SER A 35 13.857 17.154 9.237 1.00 30.55 H new ATOM 0 HB3 SER A 35 12.271 16.623 8.711 1.00 30.55 H new ATOM 0 HG SER A 35 13.072 15.367 10.490 1.00 43.05 H new ATOM 603 N THR A 36 12.003 15.466 5.948 1.00 10.41 N ATOM 604 CA THR A 36 11.112 14.567 5.226 1.00 64.13 C ATOM 605 C THR A 36 11.730 14.126 3.904 1.00 64.21 C ATOM 606 O THR A 36 11.597 12.971 3.499 1.00 35.22 O ATOM 607 CB THR A 36 9.750 15.230 4.947 1.00 62.44 C ATOM 608 OG1 THR A 36 9.118 15.588 6.180 1.00 11.13 O ATOM 609 CG2 THR A 36 8.845 14.294 4.160 1.00 55.43 C ATOM 0 H THR A 36 11.777 16.455 5.845 1.00 10.41 H new ATOM 0 HA THR A 36 10.959 13.695 5.862 1.00 64.13 H new ATOM 0 HB THR A 36 9.922 16.128 4.354 1.00 62.44 H new ATOM 0 HG1 THR A 36 9.408 16.485 6.448 1.00 11.13 H new ATOM 0 HG21 THR A 36 7.889 14.783 3.974 1.00 55.43 H new ATOM 0 HG22 THR A 36 9.316 14.046 3.209 1.00 55.43 H new ATOM 0 HG23 THR A 36 8.680 13.381 4.732 1.00 55.43 H new ATOM 617 N VAL A 37 12.409 15.053 3.234 1.00 34.55 N ATOM 618 CA VAL A 37 13.049 14.758 1.958 1.00 5.33 C ATOM 619 C VAL A 37 14.262 13.854 2.148 1.00 70.21 C ATOM 620 O VAL A 37 14.317 12.749 1.607 1.00 75.21 O ATOM 621 CB VAL A 37 13.492 16.048 1.242 1.00 72.12 C ATOM 622 CG1 VAL A 37 14.175 15.719 -0.077 1.00 25.15 C ATOM 623 CG2 VAL A 37 12.301 16.968 1.019 1.00 3.54 C ATOM 0 H VAL A 37 12.530 16.014 3.554 1.00 34.55 H new ATOM 0 HA VAL A 37 12.309 14.245 1.343 1.00 5.33 H new ATOM 0 HB VAL A 37 14.210 16.567 1.876 1.00 72.12 H new ATOM 0 HG11 VAL A 37 14.481 16.642 -0.569 1.00 25.15 H new ATOM 0 HG12 VAL A 37 15.052 15.101 0.112 1.00 25.15 H new ATOM 0 HG13 VAL A 37 13.482 15.178 -0.721 1.00 25.15 H new ATOM 0 HG21 VAL A 37 12.631 17.875 0.512 1.00 3.54 H new ATOM 0 HG22 VAL A 37 11.558 16.459 0.405 1.00 3.54 H new ATOM 0 HG23 VAL A 37 11.859 17.230 1.980 1.00 3.54 H new ATOM 633 N HIS A 38 15.234 14.330 2.920 1.00 35.33 N ATOM 634 CA HIS A 38 16.446 13.563 3.183 1.00 44.23 C ATOM 635 C HIS A 38 16.106 12.160 3.674 1.00 23.54 C ATOM 636 O HIS A 38 16.875 11.218 3.478 1.00 73.13 O ATOM 637 CB HIS A 38 17.315 14.281 4.216 1.00 44.45 C ATOM 638 CG HIS A 38 18.564 14.876 3.639 1.00 75.51 C ATOM 639 ND1 HIS A 38 19.106 16.063 4.082 1.00 52.52 N ATOM 640 CD2 HIS A 38 19.378 14.438 2.650 1.00 35.41 C ATOM 641 CE1 HIS A 38 20.198 16.331 3.389 1.00 3.51 C ATOM 642 NE2 HIS A 38 20.386 15.360 2.514 1.00 13.01 N ATOM 0 H HIS A 38 15.206 15.243 3.374 1.00 35.33 H new ATOM 0 HA HIS A 38 17.001 13.477 2.249 1.00 44.23 H new ATOM 0 HB2 HIS A 38 16.729 15.071 4.685 1.00 44.45 H new ATOM 0 HB3 HIS A 38 17.587 13.577 5.002 1.00 44.45 H new ATOM 0 HD1 HIS A 38 18.724 16.644 4.828 1.00 52.52 H new ATOM 0 HD2 HIS A 38 19.257 13.532 2.075 1.00 35.41 H new ATOM 0 HE1 HIS A 38 20.830 17.197 3.516 1.00 3.51 H new ATOM 650 N LYS A 39 14.950 12.027 4.316 1.00 63.52 N ATOM 651 CA LYS A 39 14.507 10.738 4.836 1.00 50.52 C ATOM 652 C LYS A 39 14.342 9.724 3.708 1.00 2.25 C ATOM 653 O LYS A 39 14.781 8.579 3.822 1.00 55.32 O ATOM 654 CB LYS A 39 13.185 10.897 5.590 1.00 1.43 C ATOM 655 CG LYS A 39 12.543 9.576 5.977 1.00 54.53 C ATOM 656 CD LYS A 39 11.427 9.198 5.018 1.00 74.43 C ATOM 657 CE LYS A 39 10.096 9.051 5.741 1.00 65.53 C ATOM 658 NZ LYS A 39 9.246 7.993 5.127 1.00 13.43 N ATOM 0 H LYS A 39 14.303 12.796 4.489 1.00 63.52 H new ATOM 0 HA LYS A 39 15.269 10.370 5.523 1.00 50.52 H new ATOM 0 HB2 LYS A 39 13.359 11.485 6.491 1.00 1.43 H new ATOM 0 HB3 LYS A 39 12.489 11.462 4.970 1.00 1.43 H new ATOM 0 HG2 LYS A 39 13.299 8.791 5.985 1.00 54.53 H new ATOM 0 HG3 LYS A 39 12.146 9.646 6.990 1.00 54.53 H new ATOM 0 HD2 LYS A 39 11.339 9.959 4.243 1.00 74.43 H new ATOM 0 HD3 LYS A 39 11.676 8.262 4.519 1.00 74.43 H new ATOM 0 HE2 LYS A 39 10.276 8.810 6.789 1.00 65.53 H new ATOM 0 HE3 LYS A 39 9.564 10.002 5.720 1.00 65.53 H new ATOM 0 HZ1 LYS A 39 8.348 7.923 5.648 1.00 13.43 H new ATOM 0 HZ2 LYS A 39 9.053 8.236 4.134 1.00 13.43 H new ATOM 0 HZ3 LYS A 39 9.743 7.080 5.170 1.00 13.43 H new ATOM 672 N ASP A 40 13.709 10.152 2.622 1.00 45.23 N ATOM 673 CA ASP A 40 13.489 9.282 1.472 1.00 24.14 C ATOM 674 C ASP A 40 14.692 9.306 0.534 1.00 22.14 C ATOM 675 O ASP A 40 15.031 8.296 -0.084 1.00 23.22 O ATOM 676 CB ASP A 40 12.229 9.708 0.717 1.00 24.52 C ATOM 677 CG ASP A 40 10.980 9.033 1.249 1.00 62.44 C ATOM 678 OD1 ASP A 40 11.077 7.870 1.694 1.00 64.31 O ATOM 679 OD2 ASP A 40 9.905 9.668 1.220 1.00 65.41 O ATOM 0 H ASP A 40 13.339 11.096 2.513 1.00 45.23 H new ATOM 0 HA ASP A 40 13.357 8.264 1.838 1.00 24.14 H new ATOM 0 HB2 ASP A 40 12.113 10.789 0.790 1.00 24.52 H new ATOM 0 HB3 ASP A 40 12.345 9.470 -0.340 1.00 24.52 H new ATOM 684 N LEU A 41 15.333 10.465 0.432 1.00 10.10 N ATOM 685 CA LEU A 41 16.498 10.622 -0.432 1.00 20.42 C ATOM 686 C LEU A 41 17.626 9.691 0.002 1.00 43.22 C ATOM 687 O LEU A 41 18.554 9.423 -0.763 1.00 11.22 O ATOM 688 CB LEU A 41 16.982 12.073 -0.411 1.00 73.40 C ATOM 689 CG LEU A 41 16.323 13.014 -1.419 1.00 53.35 C ATOM 690 CD1 LEU A 41 17.075 12.992 -2.741 1.00 52.11 C ATOM 691 CD2 LEU A 41 14.863 12.636 -1.628 1.00 5.13 C ATOM 0 H LEU A 41 15.066 11.310 0.937 1.00 10.10 H new ATOM 0 HA LEU A 41 16.204 10.359 -1.448 1.00 20.42 H new ATOM 0 HB2 LEU A 41 16.821 12.474 0.590 1.00 73.40 H new ATOM 0 HB3 LEU A 41 18.058 12.079 -0.588 1.00 73.40 H new ATOM 0 HG LEU A 41 16.361 14.027 -1.019 1.00 53.35 H new ATOM 0 HD11 LEU A 41 16.591 13.668 -3.446 1.00 52.11 H new ATOM 0 HD12 LEU A 41 18.104 13.312 -2.579 1.00 52.11 H new ATOM 0 HD13 LEU A 41 17.069 11.980 -3.146 1.00 52.11 H new ATOM 0 HD21 LEU A 41 14.410 13.317 -2.349 1.00 5.13 H new ATOM 0 HD22 LEU A 41 14.802 11.615 -2.005 1.00 5.13 H new ATOM 0 HD23 LEU A 41 14.330 12.705 -0.680 1.00 5.13 H new ATOM 703 N THR A 42 17.540 9.199 1.234 1.00 62.23 N ATOM 704 CA THR A 42 18.553 8.298 1.769 1.00 33.32 C ATOM 705 C THR A 42 17.960 6.929 2.083 1.00 33.12 C ATOM 706 O THR A 42 18.650 6.046 2.590 1.00 30.45 O ATOM 707 CB THR A 42 19.196 8.871 3.046 1.00 63.22 C ATOM 708 OG1 THR A 42 18.252 8.851 4.122 1.00 71.00 O ATOM 709 CG2 THR A 42 19.680 10.294 2.816 1.00 45.45 C ATOM 0 H THR A 42 16.779 9.409 1.880 1.00 62.23 H new ATOM 0 HA THR A 42 19.319 8.192 1.001 1.00 33.32 H new ATOM 0 HB THR A 42 20.053 8.250 3.304 1.00 63.22 H new ATOM 0 HG1 THR A 42 17.666 9.634 4.058 1.00 71.00 H new ATOM 0 HG21 THR A 42 20.130 10.678 3.732 1.00 45.45 H new ATOM 0 HG22 THR A 42 20.421 10.302 2.016 1.00 45.45 H new ATOM 0 HG23 THR A 42 18.836 10.924 2.535 1.00 45.45 H new ATOM 717 N GLU A 43 16.677 6.760 1.777 1.00 10.45 N ATOM 718 CA GLU A 43 15.992 5.498 2.028 1.00 62.40 C ATOM 719 C GLU A 43 15.407 4.931 0.738 1.00 60.33 C ATOM 720 O GLU A 43 15.928 3.965 0.179 1.00 1.30 O ATOM 721 CB GLU A 43 14.882 5.691 3.063 1.00 72.41 C ATOM 722 CG GLU A 43 15.394 5.832 4.486 1.00 2.23 C ATOM 723 CD GLU A 43 14.275 6.004 5.495 1.00 40.22 C ATOM 724 OE1 GLU A 43 13.119 5.668 5.161 1.00 44.33 O ATOM 725 OE2 GLU A 43 14.554 6.474 6.617 1.00 2.53 O ATOM 0 H GLU A 43 16.092 7.481 1.355 1.00 10.45 H new ATOM 0 HA GLU A 43 16.722 4.789 2.418 1.00 62.40 H new ATOM 0 HB2 GLU A 43 14.306 6.579 2.804 1.00 72.41 H new ATOM 0 HB3 GLU A 43 14.200 4.842 3.014 1.00 72.41 H new ATOM 0 HG2 GLU A 43 15.980 4.951 4.746 1.00 2.23 H new ATOM 0 HG3 GLU A 43 16.065 6.689 4.543 1.00 2.23 H new ATOM 732 N ARG A 44 14.321 5.538 0.271 1.00 72.42 N ATOM 733 CA ARG A 44 13.663 5.093 -0.952 1.00 62.00 C ATOM 734 C ARG A 44 14.525 5.397 -2.174 1.00 70.51 C ATOM 735 O ARG A 44 14.760 4.526 -3.013 1.00 54.15 O ATOM 736 CB ARG A 44 12.298 5.768 -1.097 1.00 2.22 C ATOM 737 CG ARG A 44 11.252 5.242 -0.127 1.00 64.15 C ATOM 738 CD ARG A 44 10.466 4.088 -0.729 1.00 72.12 C ATOM 739 NE ARG A 44 10.217 3.028 0.245 1.00 41.44 N ATOM 740 CZ ARG A 44 9.580 1.899 -0.045 1.00 10.25 C ATOM 741 NH1 ARG A 44 9.130 1.684 -1.273 1.00 31.01 N ATOM 742 NH2 ARG A 44 9.392 0.982 0.896 1.00 3.31 N ATOM 0 H ARG A 44 13.878 6.339 0.721 1.00 72.42 H new ATOM 0 HA ARG A 44 13.522 4.014 -0.887 1.00 62.00 H new ATOM 0 HB2 ARG A 44 12.415 6.841 -0.945 1.00 2.22 H new ATOM 0 HB3 ARG A 44 11.939 5.627 -2.117 1.00 2.22 H new ATOM 0 HG2 ARG A 44 11.738 4.913 0.791 1.00 64.15 H new ATOM 0 HG3 ARG A 44 10.569 6.047 0.145 1.00 64.15 H new ATOM 0 HD2 ARG A 44 9.515 4.458 -1.113 1.00 72.12 H new ATOM 0 HD3 ARG A 44 11.015 3.679 -1.577 1.00 72.12 H new ATOM 0 HE ARG A 44 10.550 3.162 1.200 1.00 41.44 H new ATOM 0 HH11 ARG A 44 9.272 2.387 -1.999 1.00 31.01 H new ATOM 0 HH12 ARG A 44 8.641 0.816 -1.492 1.00 31.01 H new ATOM 0 HH21 ARG A 44 9.737 1.144 1.842 1.00 3.31 H new ATOM 0 HH22 ARG A 44 8.903 0.115 0.673 1.00 3.31 H new ATOM 756 N LEU A 45 14.993 6.636 -2.268 1.00 3.10 N ATOM 757 CA LEU A 45 15.829 7.055 -3.388 1.00 1.53 C ATOM 758 C LEU A 45 16.879 5.997 -3.709 1.00 45.34 C ATOM 759 O LEU A 45 16.947 5.473 -4.821 1.00 65.32 O ATOM 760 CB LEU A 45 16.511 8.387 -3.070 1.00 1.31 C ATOM 761 CG LEU A 45 17.860 8.630 -3.749 1.00 34.44 C ATOM 762 CD1 LEU A 45 17.760 8.367 -5.243 1.00 72.12 C ATOM 763 CD2 LEU A 45 18.342 10.049 -3.486 1.00 33.13 C ATOM 0 H LEU A 45 14.808 7.368 -1.583 1.00 3.10 H new ATOM 0 HA LEU A 45 15.188 7.181 -4.261 1.00 1.53 H new ATOM 0 HB2 LEU A 45 15.835 9.195 -3.351 1.00 1.31 H new ATOM 0 HB3 LEU A 45 16.653 8.451 -1.991 1.00 1.31 H new ATOM 0 HG LEU A 45 18.588 7.937 -3.327 1.00 34.44 H new ATOM 0 HD11 LEU A 45 18.729 8.545 -5.709 1.00 72.12 H new ATOM 0 HD12 LEU A 45 17.461 7.332 -5.411 1.00 72.12 H new ATOM 0 HD13 LEU A 45 17.018 9.035 -5.681 1.00 72.12 H new ATOM 0 HD21 LEU A 45 19.303 10.204 -3.977 1.00 33.13 H new ATOM 0 HD22 LEU A 45 17.615 10.759 -3.880 1.00 33.13 H new ATOM 0 HD23 LEU A 45 18.454 10.202 -2.413 1.00 33.13 H new ATOM 775 N PRO A 46 17.718 5.673 -2.714 1.00 12.32 N ATOM 776 CA PRO A 46 18.778 4.673 -2.866 1.00 23.22 C ATOM 777 C PRO A 46 18.226 3.257 -2.993 1.00 12.22 C ATOM 778 O PRO A 46 18.807 2.414 -3.674 1.00 63.42 O ATOM 779 CB PRO A 46 19.589 4.817 -1.576 1.00 22.44 C ATOM 780 CG PRO A 46 18.627 5.373 -0.583 1.00 62.15 C ATOM 781 CD PRO A 46 17.694 6.258 -1.363 1.00 5.43 C ATOM 0 HA PRO A 46 19.361 4.833 -3.773 1.00 23.22 H new ATOM 0 HB2 PRO A 46 19.985 3.856 -1.248 1.00 22.44 H new ATOM 0 HB3 PRO A 46 20.441 5.482 -1.716 1.00 22.44 H new ATOM 0 HG2 PRO A 46 18.080 4.575 -0.081 1.00 62.15 H new ATOM 0 HG3 PRO A 46 19.147 5.939 0.190 1.00 62.15 H new ATOM 0 HD2 PRO A 46 16.689 6.253 -0.941 1.00 5.43 H new ATOM 0 HD3 PRO A 46 18.033 7.294 -1.368 1.00 5.43 H new ATOM 789 N GLU A 47 17.100 3.005 -2.333 1.00 31.34 N ATOM 790 CA GLU A 47 16.470 1.690 -2.372 1.00 41.25 C ATOM 791 C GLU A 47 16.037 1.337 -3.792 1.00 55.54 C ATOM 792 O GLU A 47 16.236 0.213 -4.252 1.00 62.32 O ATOM 793 CB GLU A 47 15.262 1.650 -1.434 1.00 4.01 C ATOM 794 CG GLU A 47 15.586 1.116 -0.048 1.00 53.54 C ATOM 795 CD GLU A 47 15.453 -0.391 0.042 1.00 64.44 C ATOM 796 OE1 GLU A 47 16.446 -1.092 -0.250 1.00 14.21 O ATOM 797 OE2 GLU A 47 14.359 -0.871 0.403 1.00 74.01 O ATOM 0 H GLU A 47 16.606 3.693 -1.765 1.00 31.34 H new ATOM 0 HA GLU A 47 17.203 0.954 -2.040 1.00 41.25 H new ATOM 0 HB2 GLU A 47 14.852 2.655 -1.340 1.00 4.01 H new ATOM 0 HB3 GLU A 47 14.486 1.029 -1.881 1.00 4.01 H new ATOM 0 HG2 GLU A 47 16.603 1.404 0.220 1.00 53.54 H new ATOM 0 HG3 GLU A 47 14.921 1.580 0.681 1.00 53.54 H new ATOM 804 N ILE A 48 15.442 2.306 -4.481 1.00 1.11 N ATOM 805 CA ILE A 48 14.981 2.098 -5.848 1.00 12.51 C ATOM 806 C ILE A 48 16.069 2.455 -6.855 1.00 55.43 C ATOM 807 O ILE A 48 16.091 1.935 -7.970 1.00 1.31 O ATOM 808 CB ILE A 48 13.723 2.934 -6.150 1.00 74.44 C ATOM 809 CG1 ILE A 48 13.954 4.399 -5.775 1.00 32.33 C ATOM 810 CG2 ILE A 48 12.522 2.372 -5.403 1.00 2.52 C ATOM 811 CD1 ILE A 48 13.483 5.375 -6.830 1.00 35.31 C ATOM 0 H ILE A 48 15.268 3.242 -4.115 1.00 1.11 H new ATOM 0 HA ILE A 48 14.736 1.040 -5.942 1.00 12.51 H new ATOM 0 HB ILE A 48 13.518 2.882 -7.219 1.00 74.44 H new ATOM 0 HG12 ILE A 48 13.438 4.612 -4.839 1.00 32.33 H new ATOM 0 HG13 ILE A 48 15.018 4.556 -5.595 1.00 32.33 H new ATOM 0 HG21 ILE A 48 11.641 2.973 -5.626 1.00 2.52 H new ATOM 0 HG22 ILE A 48 12.348 1.343 -5.716 1.00 2.52 H new ATOM 0 HG23 ILE A 48 12.716 2.397 -4.331 1.00 2.52 H new ATOM 0 HD11 ILE A 48 13.679 6.394 -6.496 1.00 35.31 H new ATOM 0 HD12 ILE A 48 14.017 5.190 -7.762 1.00 35.31 H new ATOM 0 HD13 ILE A 48 12.413 5.246 -6.993 1.00 35.31 H new ATOM 823 N ASN A 49 16.970 3.346 -6.454 1.00 22.52 N ATOM 824 CA ASN A 49 18.062 3.772 -7.321 1.00 65.53 C ATOM 825 C ASN A 49 19.292 4.149 -6.501 1.00 45.45 C ATOM 826 O ASN A 49 19.395 5.251 -5.961 1.00 52.15 O ATOM 827 CB ASN A 49 17.625 4.959 -8.182 1.00 31.53 C ATOM 828 CG ASN A 49 17.317 4.554 -9.611 1.00 0.54 C ATOM 829 OD1 ASN A 49 16.488 3.677 -9.855 1.00 4.34 O ATOM 830 ND2 ASN A 49 17.985 5.194 -10.563 1.00 43.33 N ATOM 0 H ASN A 49 16.965 3.787 -5.534 1.00 22.52 H new ATOM 0 HA ASN A 49 18.323 2.937 -7.972 1.00 65.53 H new ATOM 0 HB2 ASN A 49 16.742 5.420 -7.739 1.00 31.53 H new ATOM 0 HB3 ASN A 49 18.412 5.713 -8.182 1.00 31.53 H new ATOM 0 HD21 ASN A 49 17.820 4.966 -11.543 1.00 43.33 H new ATOM 0 HD22 ASN A 49 18.663 5.914 -10.314 1.00 43.33 H new ATOM 837 N PRO A 50 20.250 3.215 -6.406 1.00 32.21 N ATOM 838 CA PRO A 50 21.491 3.427 -5.655 1.00 71.21 C ATOM 839 C PRO A 50 22.410 4.440 -6.329 1.00 22.40 C ATOM 840 O PRO A 50 23.041 5.260 -5.662 1.00 23.43 O ATOM 841 CB PRO A 50 22.140 2.040 -5.644 1.00 13.44 C ATOM 842 CG PRO A 50 21.594 1.357 -6.849 1.00 73.33 C ATOM 843 CD PRO A 50 20.195 1.879 -7.024 1.00 14.32 C ATOM 0 HA PRO A 50 21.302 3.832 -4.661 1.00 71.21 H new ATOM 0 HB2 PRO A 50 23.227 2.111 -5.688 1.00 13.44 H new ATOM 0 HB3 PRO A 50 21.893 1.494 -4.733 1.00 13.44 H new ATOM 0 HG2 PRO A 50 22.203 1.570 -7.728 1.00 73.33 H new ATOM 0 HG3 PRO A 50 21.593 0.275 -6.717 1.00 73.33 H new ATOM 0 HD2 PRO A 50 19.915 1.934 -8.076 1.00 14.32 H new ATOM 0 HD3 PRO A 50 19.463 1.239 -6.532 1.00 14.32 H new ATOM 851 N ASP A 51 22.481 4.377 -7.654 1.00 52.51 N ATOM 852 CA ASP A 51 23.322 5.291 -8.419 1.00 23.24 C ATOM 853 C ASP A 51 22.848 6.732 -8.256 1.00 21.51 C ATOM 854 O ASP A 51 23.642 7.629 -7.971 1.00 11.25 O ATOM 855 CB ASP A 51 23.319 4.904 -9.898 1.00 72.42 C ATOM 856 CG ASP A 51 23.996 3.571 -10.149 1.00 73.45 C ATOM 857 OD1 ASP A 51 23.443 2.535 -9.723 1.00 3.43 O ATOM 858 OD2 ASP A 51 25.079 3.563 -10.772 1.00 75.42 O ATOM 0 H ASP A 51 21.967 3.703 -8.221 1.00 52.51 H new ATOM 0 HA ASP A 51 24.339 5.217 -8.034 1.00 23.24 H new ATOM 0 HB2 ASP A 51 22.291 4.859 -10.257 1.00 72.42 H new ATOM 0 HB3 ASP A 51 23.824 5.679 -10.474 1.00 72.42 H new ATOM 863 N LEU A 52 21.550 6.946 -8.440 1.00 42.01 N ATOM 864 CA LEU A 52 20.970 8.278 -8.315 1.00 15.43 C ATOM 865 C LEU A 52 21.116 8.804 -6.890 1.00 50.45 C ATOM 866 O LEU A 52 21.161 10.014 -6.666 1.00 70.44 O ATOM 867 CB LEU A 52 19.492 8.252 -8.711 1.00 64.14 C ATOM 868 CG LEU A 52 19.066 9.259 -9.780 1.00 2.42 C ATOM 869 CD1 LEU A 52 17.613 9.039 -10.172 1.00 4.01 C ATOM 870 CD2 LEU A 52 19.277 10.683 -9.285 1.00 31.11 C ATOM 0 H LEU A 52 20.880 6.214 -8.676 1.00 42.01 H new ATOM 0 HA LEU A 52 21.509 8.946 -8.987 1.00 15.43 H new ATOM 0 HB2 LEU A 52 19.249 7.251 -9.066 1.00 64.14 H new ATOM 0 HB3 LEU A 52 18.894 8.427 -7.817 1.00 64.14 H new ATOM 0 HG LEU A 52 19.686 9.107 -10.663 1.00 2.42 H new ATOM 0 HD11 LEU A 52 17.328 9.765 -10.934 1.00 4.01 H new ATOM 0 HD12 LEU A 52 17.492 8.031 -10.568 1.00 4.01 H new ATOM 0 HD13 LEU A 52 16.977 9.164 -9.296 1.00 4.01 H new ATOM 0 HD21 LEU A 52 18.969 11.386 -10.058 1.00 31.11 H new ATOM 0 HD22 LEU A 52 18.682 10.848 -8.387 1.00 31.11 H new ATOM 0 HD23 LEU A 52 20.331 10.836 -9.055 1.00 31.11 H new ATOM 882 N ALA A 53 21.192 7.887 -5.931 1.00 51.54 N ATOM 883 CA ALA A 53 21.338 8.259 -4.529 1.00 72.35 C ATOM 884 C ALA A 53 22.692 8.911 -4.272 1.00 61.42 C ATOM 885 O ALA A 53 22.851 9.681 -3.327 1.00 12.34 O ATOM 886 CB ALA A 53 21.160 7.038 -3.639 1.00 32.10 C ATOM 0 H ALA A 53 21.155 6.882 -6.099 1.00 51.54 H new ATOM 0 HA ALA A 53 20.563 8.987 -4.289 1.00 72.35 H new ATOM 0 HB1 ALA A 53 21.271 7.330 -2.595 1.00 32.10 H new ATOM 0 HB2 ALA A 53 20.167 6.616 -3.794 1.00 32.10 H new ATOM 0 HB3 ALA A 53 21.914 6.292 -3.890 1.00 32.10 H new ATOM 892 N ASN A 54 23.666 8.595 -5.120 1.00 0.21 N ATOM 893 CA ASN A 54 25.008 9.150 -4.983 1.00 31.31 C ATOM 894 C ASN A 54 25.017 10.639 -5.312 1.00 42.32 C ATOM 895 O ASN A 54 25.752 11.415 -4.702 1.00 30.12 O ATOM 896 CB ASN A 54 25.985 8.408 -5.897 1.00 73.43 C ATOM 897 CG ASN A 54 27.004 7.598 -5.119 1.00 74.31 C ATOM 898 OD1 ASN A 54 27.559 8.068 -4.126 1.00 63.22 O ATOM 899 ND2 ASN A 54 27.254 6.373 -5.568 1.00 54.31 N ATOM 0 H ASN A 54 23.551 7.958 -5.908 1.00 0.21 H new ATOM 0 HA ASN A 54 25.323 9.023 -3.947 1.00 31.31 H new ATOM 0 HB2 ASN A 54 25.427 7.745 -6.559 1.00 73.43 H new ATOM 0 HB3 ASN A 54 26.504 9.128 -6.530 1.00 73.43 H new ATOM 0 HD21 ASN A 54 27.930 5.781 -5.085 1.00 54.31 H new ATOM 0 HD22 ASN A 54 26.770 6.025 -6.396 1.00 54.31 H new ATOM 906 N GLU A 55 24.195 11.031 -6.281 1.00 63.10 N ATOM 907 CA GLU A 55 24.110 12.428 -6.691 1.00 75.41 C ATOM 908 C GLU A 55 23.876 13.335 -5.487 1.00 35.24 C ATOM 909 O GLU A 55 24.656 14.249 -5.223 1.00 44.41 O ATOM 910 CB GLU A 55 22.984 12.615 -7.711 1.00 21.34 C ATOM 911 CG GLU A 55 23.033 11.623 -8.861 1.00 25.23 C ATOM 912 CD GLU A 55 22.097 11.996 -9.993 1.00 73.33 C ATOM 913 OE1 GLU A 55 21.368 13.000 -9.855 1.00 42.31 O ATOM 914 OE2 GLU A 55 22.093 11.282 -11.018 1.00 51.13 O ATOM 0 H GLU A 55 23.579 10.402 -6.796 1.00 63.10 H new ATOM 0 HA GLU A 55 25.058 12.703 -7.152 1.00 75.41 H new ATOM 0 HB2 GLU A 55 22.025 12.521 -7.202 1.00 21.34 H new ATOM 0 HB3 GLU A 55 23.034 13.627 -8.113 1.00 21.34 H new ATOM 0 HG2 GLU A 55 24.053 11.564 -9.242 1.00 25.23 H new ATOM 0 HG3 GLU A 55 22.773 10.631 -8.492 1.00 25.23 H new ATOM 921 N VAL A 56 22.794 13.075 -4.759 1.00 0.13 N ATOM 922 CA VAL A 56 22.456 13.867 -3.582 1.00 23.22 C ATOM 923 C VAL A 56 23.514 13.714 -2.495 1.00 4.51 C ATOM 924 O VAL A 56 23.703 14.606 -1.667 1.00 45.34 O ATOM 925 CB VAL A 56 21.085 13.463 -3.008 1.00 60.13 C ATOM 926 CG1 VAL A 56 21.119 12.029 -2.502 1.00 3.13 C ATOM 927 CG2 VAL A 56 20.669 14.419 -1.900 1.00 71.35 C ATOM 0 H VAL A 56 22.137 12.322 -4.964 1.00 0.13 H new ATOM 0 HA VAL A 56 22.415 14.908 -3.902 1.00 23.22 H new ATOM 0 HB VAL A 56 20.344 13.523 -3.806 1.00 60.13 H new ATOM 0 HG11 VAL A 56 20.142 11.762 -2.100 1.00 3.13 H new ATOM 0 HG12 VAL A 56 21.369 11.359 -3.324 1.00 3.13 H new ATOM 0 HG13 VAL A 56 21.871 11.937 -1.718 1.00 3.13 H new ATOM 0 HG21 VAL A 56 19.698 14.119 -1.506 1.00 71.35 H new ATOM 0 HG22 VAL A 56 21.409 14.393 -1.100 1.00 71.35 H new ATOM 0 HG23 VAL A 56 20.601 15.431 -2.299 1.00 71.35 H new ATOM 937 N LYS A 57 24.203 12.578 -2.503 1.00 2.34 N ATOM 938 CA LYS A 57 25.245 12.308 -1.519 1.00 32.12 C ATOM 939 C LYS A 57 26.503 13.114 -1.823 1.00 43.31 C ATOM 940 O LYS A 57 27.258 13.467 -0.918 1.00 44.50 O ATOM 941 CB LYS A 57 25.577 10.814 -1.495 1.00 11.22 C ATOM 942 CG LYS A 57 26.875 10.491 -0.775 1.00 14.15 C ATOM 943 CD LYS A 57 26.840 10.955 0.672 1.00 31.10 C ATOM 944 CE LYS A 57 25.841 10.152 1.491 1.00 71.10 C ATOM 945 NZ LYS A 57 26.518 9.252 2.465 1.00 2.23 N ATOM 0 H LYS A 57 24.059 11.829 -3.180 1.00 2.34 H new ATOM 0 HA LYS A 57 24.871 12.607 -0.540 1.00 32.12 H new ATOM 0 HB2 LYS A 57 24.760 10.277 -1.013 1.00 11.22 H new ATOM 0 HB3 LYS A 57 25.639 10.448 -2.520 1.00 11.22 H new ATOM 0 HG2 LYS A 57 27.054 9.416 -0.809 1.00 14.15 H new ATOM 0 HG3 LYS A 57 27.707 10.969 -1.291 1.00 14.15 H new ATOM 0 HD2 LYS A 57 27.833 10.858 1.110 1.00 31.10 H new ATOM 0 HD3 LYS A 57 26.577 12.012 0.710 1.00 31.10 H new ATOM 0 HE2 LYS A 57 25.179 10.833 2.026 1.00 71.10 H new ATOM 0 HE3 LYS A 57 25.216 9.559 0.823 1.00 71.10 H new ATOM 0 HZ1 LYS A 57 25.803 8.722 3.003 1.00 2.23 H new ATOM 0 HZ2 LYS A 57 27.131 8.585 1.954 1.00 2.23 H new ATOM 0 HZ3 LYS A 57 27.094 9.819 3.119 1.00 2.23 H new ATOM 959 N GLU A 58 26.721 13.403 -3.102 1.00 71.14 N ATOM 960 CA GLU A 58 27.888 14.169 -3.524 1.00 70.42 C ATOM 961 C GLU A 58 27.838 15.588 -2.967 1.00 12.31 C ATOM 962 O GLU A 58 28.783 16.048 -2.325 1.00 33.00 O ATOM 963 CB GLU A 58 27.973 14.211 -5.051 1.00 51.34 C ATOM 964 CG GLU A 58 28.446 12.907 -5.671 1.00 40.23 C ATOM 965 CD GLU A 58 29.085 13.106 -7.032 1.00 54.12 C ATOM 966 OE1 GLU A 58 28.392 13.603 -7.945 1.00 1.42 O ATOM 967 OE2 GLU A 58 30.276 12.765 -7.185 1.00 31.51 O ATOM 0 H GLU A 58 26.105 13.118 -3.864 1.00 71.14 H new ATOM 0 HA GLU A 58 28.777 13.675 -3.131 1.00 70.42 H new ATOM 0 HB2 GLU A 58 26.991 14.460 -5.454 1.00 51.34 H new ATOM 0 HB3 GLU A 58 28.652 15.011 -5.347 1.00 51.34 H new ATOM 0 HG2 GLU A 58 29.164 12.431 -5.003 1.00 40.23 H new ATOM 0 HG3 GLU A 58 27.600 12.227 -5.767 1.00 40.23 H new ATOM 974 N ILE A 59 26.730 16.277 -3.217 1.00 55.05 N ATOM 975 CA ILE A 59 26.556 17.643 -2.741 1.00 14.53 C ATOM 976 C ILE A 59 26.663 17.713 -1.221 1.00 53.32 C ATOM 977 O ILE A 59 27.105 18.719 -0.664 1.00 54.35 O ATOM 978 CB ILE A 59 25.196 18.223 -3.176 1.00 25.34 C ATOM 979 CG1 ILE A 59 24.054 17.352 -2.648 1.00 1.32 C ATOM 980 CG2 ILE A 59 25.128 18.334 -4.691 1.00 65.44 C ATOM 981 CD1 ILE A 59 22.680 17.896 -2.973 1.00 4.04 C ATOM 0 H ILE A 59 25.939 15.911 -3.747 1.00 55.05 H new ATOM 0 HA ILE A 59 27.354 18.236 -3.187 1.00 14.53 H new ATOM 0 HB ILE A 59 25.091 19.222 -2.753 1.00 25.34 H new ATOM 0 HG12 ILE A 59 24.148 16.350 -3.067 1.00 1.32 H new ATOM 0 HG13 ILE A 59 24.151 17.255 -1.567 1.00 1.32 H new ATOM 0 HG21 ILE A 59 24.162 18.745 -4.983 1.00 65.44 H new ATOM 0 HG22 ILE A 59 25.923 18.991 -5.044 1.00 65.44 H new ATOM 0 HG23 ILE A 59 25.250 17.346 -5.134 1.00 65.44 H new ATOM 0 HD11 ILE A 59 21.919 17.228 -2.569 1.00 4.04 H new ATOM 0 HD12 ILE A 59 22.567 18.886 -2.531 1.00 4.04 H new ATOM 0 HD13 ILE A 59 22.563 17.966 -4.054 1.00 4.04 H new ATOM 993 N LEU A 60 26.257 16.638 -0.555 1.00 61.12 N ATOM 994 CA LEU A 60 26.309 16.575 0.901 1.00 0.44 C ATOM 995 C LEU A 60 27.744 16.708 1.401 1.00 20.23 C ATOM 996 O LEU A 60 28.022 17.471 2.327 1.00 74.32 O ATOM 997 CB LEU A 60 25.703 15.261 1.397 1.00 25.00 C ATOM 998 CG LEU A 60 24.177 15.212 1.473 1.00 21.30 C ATOM 999 CD1 LEU A 60 23.710 13.846 1.953 1.00 43.22 C ATOM 1000 CD2 LEU A 60 23.653 16.309 2.389 1.00 60.55 C ATOM 0 H LEU A 60 25.888 15.798 -1.000 1.00 61.12 H new ATOM 0 HA LEU A 60 25.727 17.408 1.297 1.00 0.44 H new ATOM 0 HB2 LEU A 60 26.040 14.458 0.741 1.00 25.00 H new ATOM 0 HB3 LEU A 60 26.103 15.051 2.389 1.00 25.00 H new ATOM 0 HG LEU A 60 23.777 15.379 0.473 1.00 21.30 H new ATOM 0 HD11 LEU A 60 22.621 13.830 2.001 1.00 43.22 H new ATOM 0 HD12 LEU A 60 24.054 13.079 1.259 1.00 43.22 H new ATOM 0 HD13 LEU A 60 24.120 13.649 2.944 1.00 43.22 H new ATOM 0 HD21 LEU A 60 22.565 16.259 2.431 1.00 60.55 H new ATOM 0 HD22 LEU A 60 24.062 16.173 3.390 1.00 60.55 H new ATOM 0 HD23 LEU A 60 23.957 17.282 2.002 1.00 60.55 H new ATOM 1012 N ASP A 61 28.652 15.962 0.782 1.00 71.22 N ATOM 1013 CA ASP A 61 30.060 15.998 1.161 1.00 15.13 C ATOM 1014 C ASP A 61 30.624 17.408 1.021 1.00 11.43 C ATOM 1015 O ASP A 61 31.578 17.777 1.707 1.00 50.03 O ATOM 1016 CB ASP A 61 30.867 15.025 0.301 1.00 31.43 C ATOM 1017 CG ASP A 61 32.292 14.862 0.794 1.00 75.54 C ATOM 1018 OD1 ASP A 61 32.481 14.274 1.880 1.00 52.43 O ATOM 1019 OD2 ASP A 61 33.217 15.320 0.093 1.00 42.35 O ATOM 0 H ASP A 61 28.438 15.324 0.015 1.00 71.22 H new ATOM 0 HA ASP A 61 30.137 15.697 2.206 1.00 15.13 H new ATOM 0 HB2 ASP A 61 30.374 14.053 0.297 1.00 31.43 H new ATOM 0 HB3 ASP A 61 30.880 15.380 -0.729 1.00 31.43 H new ATOM 1024 N TYR A 62 30.029 18.192 0.129 1.00 41.02 N ATOM 1025 CA TYR A 62 30.475 19.561 -0.104 1.00 34.31 C ATOM 1026 C TYR A 62 29.816 20.523 0.880 1.00 74.13 C ATOM 1027 O TYR A 62 30.362 21.581 1.192 1.00 3.20 O ATOM 1028 CB TYR A 62 30.159 19.985 -1.539 1.00 54.21 C ATOM 1029 CG TYR A 62 30.155 21.484 -1.741 1.00 23.35 C ATOM 1030 CD1 TYR A 62 31.331 22.219 -1.652 1.00 14.23 C ATOM 1031 CD2 TYR A 62 28.976 22.164 -2.021 1.00 24.12 C ATOM 1032 CE1 TYR A 62 31.332 23.588 -1.834 1.00 52.43 C ATOM 1033 CE2 TYR A 62 28.969 23.533 -2.206 1.00 75.14 C ATOM 1034 CZ TYR A 62 30.149 24.241 -2.112 1.00 34.34 C ATOM 1035 OH TYR A 62 30.146 25.604 -2.296 1.00 11.45 O ATOM 0 H TYR A 62 29.237 17.903 -0.445 1.00 41.02 H new ATOM 0 HA TYR A 62 31.554 19.596 0.049 1.00 34.31 H new ATOM 0 HB2 TYR A 62 30.892 19.538 -2.211 1.00 54.21 H new ATOM 0 HB3 TYR A 62 29.184 19.586 -1.820 1.00 54.21 H new ATOM 0 HD1 TYR A 62 32.260 21.711 -1.437 1.00 14.23 H new ATOM 0 HD2 TYR A 62 28.050 21.613 -2.095 1.00 24.12 H new ATOM 0 HE1 TYR A 62 32.254 24.145 -1.759 1.00 52.43 H new ATOM 0 HE2 TYR A 62 28.044 24.046 -2.423 1.00 75.14 H new ATOM 0 HH TYR A 62 29.233 25.907 -2.485 1.00 11.45 H new ATOM 1045 N HIS A 63 28.637 20.147 1.366 1.00 72.25 N ATOM 1046 CA HIS A 63 27.902 20.975 2.315 1.00 31.22 C ATOM 1047 C HIS A 63 28.585 20.974 3.679 1.00 22.44 C ATOM 1048 O HIS A 63 28.417 21.902 4.471 1.00 70.51 O ATOM 1049 CB HIS A 63 26.463 20.476 2.452 1.00 1.12 C ATOM 1050 CG HIS A 63 25.704 20.476 1.161 1.00 31.41 C ATOM 1051 ND1 HIS A 63 24.651 19.622 0.907 1.00 22.24 N ATOM 1052 CD2 HIS A 63 25.849 21.233 0.049 1.00 71.35 C ATOM 1053 CE1 HIS A 63 24.183 19.853 -0.306 1.00 74.40 C ATOM 1054 NE2 HIS A 63 24.892 20.826 -0.848 1.00 52.04 N ATOM 0 H HIS A 63 28.171 19.274 1.118 1.00 72.25 H new ATOM 0 HA HIS A 63 27.890 21.997 1.935 1.00 31.22 H new ATOM 0 HB2 HIS A 63 26.475 19.464 2.857 1.00 1.12 H new ATOM 0 HB3 HIS A 63 25.937 21.102 3.173 1.00 1.12 H new ATOM 0 HD2 HIS A 63 26.581 22.012 -0.105 1.00 71.35 H new ATOM 0 HE1 HIS A 63 23.360 19.334 -0.775 1.00 74.40 H new ATOM 0 HE2 HIS A 63 24.752 21.213 -1.781 1.00 52.04 H new ATOM 1062 N LYS A 64 29.356 19.925 3.949 1.00 43.55 N ATOM 1063 CA LYS A 64 30.066 19.803 5.216 1.00 31.53 C ATOM 1064 C LYS A 64 31.389 20.560 5.175 1.00 41.31 C ATOM 1065 O LYS A 64 31.899 20.995 6.208 1.00 53.35 O ATOM 1066 CB LYS A 64 30.320 18.329 5.541 1.00 30.23 C ATOM 1067 CG LYS A 64 29.084 17.591 6.028 1.00 44.43 C ATOM 1068 CD LYS A 64 29.428 16.199 6.530 1.00 74.01 C ATOM 1069 CE LYS A 64 29.564 15.210 5.382 1.00 11.40 C ATOM 1070 NZ LYS A 64 28.885 13.919 5.679 1.00 61.31 N ATOM 0 H LYS A 64 29.505 19.147 3.306 1.00 43.55 H new ATOM 0 HA LYS A 64 29.443 20.240 5.996 1.00 31.53 H new ATOM 0 HB2 LYS A 64 30.703 17.830 4.651 1.00 30.23 H new ATOM 0 HB3 LYS A 64 31.096 18.262 6.303 1.00 30.23 H new ATOM 0 HG2 LYS A 64 28.610 18.161 6.828 1.00 44.43 H new ATOM 0 HG3 LYS A 64 28.360 17.518 5.217 1.00 44.43 H new ATOM 0 HD2 LYS A 64 30.360 16.234 7.093 1.00 74.01 H new ATOM 0 HD3 LYS A 64 28.654 15.857 7.216 1.00 74.01 H new ATOM 0 HE2 LYS A 64 29.139 15.644 4.477 1.00 11.40 H new ATOM 0 HE3 LYS A 64 30.620 15.028 5.183 1.00 11.40 H new ATOM 0 HZ1 LYS A 64 29.001 13.272 4.873 1.00 61.31 H new ATOM 0 HZ2 LYS A 64 29.307 13.492 6.528 1.00 61.31 H new ATOM 0 HZ3 LYS A 64 27.872 14.089 5.844 1.00 61.31 H new ATOM 1084 N SER A 65 31.940 20.716 3.975 1.00 34.21 N ATOM 1085 CA SER A 65 33.205 21.419 3.800 1.00 52.21 C ATOM 1086 C SER A 65 33.072 22.885 4.202 1.00 74.02 C ATOM 1087 O SER A 65 33.854 23.393 5.005 1.00 22.15 O ATOM 1088 CB SER A 65 33.672 21.317 2.347 1.00 42.53 C ATOM 1089 OG SER A 65 33.671 22.589 1.721 1.00 63.35 O ATOM 0 H SER A 65 31.530 20.365 3.110 1.00 34.21 H new ATOM 0 HA SER A 65 33.946 20.949 4.446 1.00 52.21 H new ATOM 0 HB2 SER A 65 34.675 20.892 2.313 1.00 42.53 H new ATOM 0 HB3 SER A 65 33.019 20.638 1.799 1.00 42.53 H new ATOM 0 HG SER A 65 33.975 22.498 0.794 1.00 63.35 H new ATOM 1095 N ILE A 66 32.075 23.559 3.637 1.00 65.44 N ATOM 1096 CA ILE A 66 31.839 24.965 3.936 1.00 15.21 C ATOM 1097 C ILE A 66 30.961 25.124 5.173 1.00 21.32 C ATOM 1098 O ILE A 66 30.699 26.240 5.622 1.00 21.31 O ATOM 1099 CB ILE A 66 31.171 25.688 2.751 1.00 3.53 C ATOM 1100 CG1 ILE A 66 29.653 25.504 2.802 1.00 3.04 C ATOM 1101 CG2 ILE A 66 31.729 25.172 1.433 1.00 21.15 C ATOM 1102 CD1 ILE A 66 29.217 24.058 2.717 1.00 41.20 C ATOM 0 H ILE A 66 31.418 23.153 2.970 1.00 65.44 H new ATOM 0 HA ILE A 66 32.814 25.415 4.124 1.00 15.21 H new ATOM 0 HB ILE A 66 31.391 26.753 2.824 1.00 3.53 H new ATOM 0 HG12 ILE A 66 29.274 25.936 3.728 1.00 3.04 H new ATOM 0 HG13 ILE A 66 29.200 26.061 1.982 1.00 3.04 H new ATOM 0 HG21 ILE A 66 31.247 25.692 0.605 1.00 21.15 H new ATOM 0 HG22 ILE A 66 32.804 25.351 1.398 1.00 21.15 H new ATOM 0 HG23 ILE A 66 31.536 24.102 1.350 1.00 21.15 H new ATOM 0 HD11 ILE A 66 28.129 24.003 2.759 1.00 41.20 H new ATOM 0 HD12 ILE A 66 29.566 23.627 1.779 1.00 41.20 H new ATOM 0 HD13 ILE A 66 29.641 23.500 3.552 1.00 41.20 H new ATOM 1114 N ARG A 67 30.511 23.999 5.721 1.00 43.41 N ATOM 1115 CA ARG A 67 29.664 24.013 6.907 1.00 53.10 C ATOM 1116 C ARG A 67 30.276 24.880 8.003 1.00 43.20 C ATOM 1117 O ARG A 67 29.570 25.610 8.700 1.00 71.33 O ATOM 1118 CB ARG A 67 29.453 22.590 7.426 1.00 23.50 C ATOM 1119 CG ARG A 67 28.728 22.529 8.760 1.00 34.22 C ATOM 1120 CD ARG A 67 29.704 22.416 9.921 1.00 51.43 C ATOM 1121 NE ARG A 67 29.130 21.691 11.051 1.00 73.24 N ATOM 1122 CZ ARG A 67 29.713 21.604 12.241 1.00 71.11 C ATOM 1123 NH1 ARG A 67 30.880 22.194 12.456 1.00 44.44 N ATOM 1124 NH2 ARG A 67 29.128 20.925 13.220 1.00 52.42 N ATOM 0 H ARG A 67 30.719 23.067 5.362 1.00 43.41 H new ATOM 0 HA ARG A 67 28.700 24.438 6.628 1.00 53.10 H new ATOM 0 HB2 ARG A 67 28.886 22.024 6.688 1.00 23.50 H new ATOM 0 HB3 ARG A 67 30.422 22.102 7.526 1.00 23.50 H new ATOM 0 HG2 ARG A 67 28.116 23.422 8.884 1.00 34.22 H new ATOM 0 HG3 ARG A 67 28.051 21.675 8.768 1.00 34.22 H new ATOM 0 HD2 ARG A 67 30.608 21.908 9.586 1.00 51.43 H new ATOM 0 HD3 ARG A 67 30.000 23.414 10.244 1.00 51.43 H new ATOM 0 HE ARG A 67 28.232 21.226 10.919 1.00 73.24 H new ATOM 0 HH11 ARG A 67 31.333 22.717 11.706 1.00 44.44 H new ATOM 0 HH12 ARG A 67 31.325 22.125 13.371 1.00 44.44 H new ATOM 0 HH21 ARG A 67 28.230 20.469 13.059 1.00 52.42 H new ATOM 0 HH22 ARG A 67 29.577 20.859 14.134 1.00 52.42 H new ATOM 1138 N HIS A 68 31.595 24.795 8.150 1.00 13.03 N ATOM 1139 CA HIS A 68 32.303 25.572 9.162 1.00 73.14 C ATOM 1140 C HIS A 68 31.935 27.050 9.068 1.00 72.44 C ATOM 1141 O HIS A 68 31.888 27.754 10.077 1.00 44.10 O ATOM 1142 CB HIS A 68 33.813 25.399 9.002 1.00 5.34 C ATOM 1143 CG HIS A 68 34.516 25.062 10.282 1.00 50.45 C ATOM 1144 ND1 HIS A 68 35.159 26.004 11.058 1.00 71.44 N ATOM 1145 CD2 HIS A 68 34.673 23.879 10.920 1.00 12.54 C ATOM 1146 CE1 HIS A 68 35.682 25.414 12.118 1.00 63.15 C ATOM 1147 NE2 HIS A 68 35.401 24.125 12.058 1.00 22.34 N ATOM 0 H HIS A 68 32.194 24.197 7.582 1.00 13.03 H new ATOM 0 HA HIS A 68 32.004 25.204 10.143 1.00 73.14 H new ATOM 0 HB2 HIS A 68 34.005 24.612 8.273 1.00 5.34 H new ATOM 0 HB3 HIS A 68 34.235 26.319 8.596 1.00 5.34 H new ATOM 0 HD2 HIS A 68 34.296 22.921 10.595 1.00 12.54 H new ATOM 0 HE1 HIS A 68 36.244 25.903 12.900 1.00 63.15 H new ATOM 0 HE2 HIS A 68 35.680 23.425 12.746 1.00 22.34 H new ATOM 1155 N LEU A 69 31.675 27.513 7.850 1.00 11.21 N ATOM 1156 CA LEU A 69 31.312 28.908 7.624 1.00 73.22 C ATOM 1157 C LEU A 69 29.822 29.129 7.867 1.00 61.13 C ATOM 1158 O LEU A 69 29.413 30.178 8.365 1.00 24.31 O ATOM 1159 CB LEU A 69 31.675 29.325 6.198 1.00 50.03 C ATOM 1160 CG LEU A 69 33.137 29.134 5.794 1.00 25.14 C ATOM 1161 CD1 LEU A 69 33.282 29.163 4.281 1.00 40.42 C ATOM 1162 CD2 LEU A 69 34.012 30.201 6.436 1.00 14.43 C ATOM 0 H LEU A 69 31.709 26.943 7.004 1.00 11.21 H new ATOM 0 HA LEU A 69 31.872 29.522 8.329 1.00 73.22 H new ATOM 0 HB2 LEU A 69 31.051 28.760 5.506 1.00 50.03 H new ATOM 0 HB3 LEU A 69 31.419 30.377 6.072 1.00 50.03 H new ATOM 0 HG LEU A 69 33.467 28.158 6.151 1.00 25.14 H new ATOM 0 HD11 LEU A 69 34.330 29.025 4.013 1.00 40.42 H new ATOM 0 HD12 LEU A 69 32.687 28.361 3.843 1.00 40.42 H new ATOM 0 HD13 LEU A 69 32.933 30.123 3.900 1.00 40.42 H new ATOM 0 HD21 LEU A 69 35.049 30.049 6.137 1.00 14.43 H new ATOM 0 HD22 LEU A 69 33.681 31.187 6.110 1.00 14.43 H new ATOM 0 HD23 LEU A 69 33.933 30.132 7.521 1.00 14.43 H new ATOM 1174 N ARG A 70 29.016 28.133 7.513 1.00 1.21 N ATOM 1175 CA ARG A 70 27.572 28.218 7.693 1.00 11.54 C ATOM 1176 C ARG A 70 27.209 28.240 9.176 1.00 45.35 C ATOM 1177 O ARG A 70 26.159 28.753 9.561 1.00 65.32 O ATOM 1178 CB ARG A 70 26.880 27.040 7.006 1.00 41.24 C ATOM 1179 CG ARG A 70 27.397 26.765 5.603 1.00 71.20 C ATOM 1180 CD ARG A 70 26.534 25.741 4.882 1.00 13.12 C ATOM 1181 NE ARG A 70 26.248 24.579 5.720 1.00 40.32 N ATOM 1182 CZ ARG A 70 25.402 23.615 5.375 1.00 63.33 C ATOM 1183 NH1 ARG A 70 24.763 23.673 4.215 1.00 61.34 N ATOM 1184 NH2 ARG A 70 25.195 22.589 6.191 1.00 41.22 N ATOM 0 H ARG A 70 29.339 27.258 7.100 1.00 1.21 H new ATOM 0 HA ARG A 70 27.229 29.147 7.238 1.00 11.54 H new ATOM 0 HB2 ARG A 70 27.013 26.146 7.615 1.00 41.24 H new ATOM 0 HB3 ARG A 70 25.809 27.236 6.958 1.00 41.24 H new ATOM 0 HG2 ARG A 70 27.415 27.693 5.032 1.00 71.20 H new ATOM 0 HG3 ARG A 70 28.424 26.404 5.657 1.00 71.20 H new ATOM 0 HD2 ARG A 70 25.597 26.207 4.577 1.00 13.12 H new ATOM 0 HD3 ARG A 70 27.040 25.416 3.973 1.00 13.12 H new ATOM 0 HE ARG A 70 26.724 24.504 6.619 1.00 40.32 H new ATOM 0 HH11 ARG A 70 24.920 24.459 3.585 1.00 61.34 H new ATOM 0 HH12 ARG A 70 24.114 22.931 3.953 1.00 61.34 H new ATOM 0 HH21 ARG A 70 25.686 22.540 7.084 1.00 41.22 H new ATOM 0 HH22 ARG A 70 24.545 21.849 5.925 1.00 41.22 H new ATOM 1198 N GLY A 71 28.087 27.679 10.003 1.00 53.55 N ATOM 1199 CA GLY A 71 27.841 27.645 11.432 1.00 30.34 C ATOM 1200 C GLY A 71 27.515 29.013 11.998 1.00 31.31 C ATOM 1201 O GLY A 71 26.808 29.126 12.999 1.00 43.13 O ATOM 0 H GLY A 71 28.963 27.248 9.708 1.00 53.55 H new ATOM 0 HA2 GLY A 71 27.016 26.964 11.639 1.00 30.34 H new ATOM 0 HA3 GLY A 71 28.719 27.245 11.939 1.00 30.34 H new ATOM 1205 N GLY A 72 28.033 30.056 11.356 1.00 30.24 N ATOM 1206 CA GLY A 72 27.783 31.409 11.817 1.00 21.02 C ATOM 1207 C GLY A 72 26.306 31.694 12.006 1.00 63.13 C ATOM 1208 O GLY A 72 25.925 32.473 12.879 1.00 71.25 O ATOM 0 H GLY A 72 28.621 29.988 10.525 1.00 30.24 H new ATOM 0 HA2 GLY A 72 28.305 31.570 12.760 1.00 21.02 H new ATOM 0 HA3 GLY A 72 28.197 32.117 11.099 1.00 21.02 H new ATOM 1212 N GLU A 73 25.474 31.062 11.184 1.00 53.41 N ATOM 1213 CA GLU A 73 24.030 31.255 11.264 1.00 45.05 C ATOM 1214 C GLU A 73 23.426 30.390 12.365 1.00 30.54 C ATOM 1215 O GLU A 73 22.481 30.796 13.040 1.00 13.13 O ATOM 1216 CB GLU A 73 23.375 30.923 9.922 1.00 55.14 C ATOM 1217 CG GLU A 73 23.001 32.150 9.107 1.00 44.04 C ATOM 1218 CD GLU A 73 22.533 31.801 7.707 1.00 34.55 C ATOM 1219 OE1 GLU A 73 21.336 31.483 7.544 1.00 40.41 O ATOM 1220 OE2 GLU A 73 23.363 31.845 6.776 1.00 63.41 O ATOM 0 H GLU A 73 25.774 30.413 10.456 1.00 53.41 H new ATOM 0 HA GLU A 73 23.841 32.301 11.504 1.00 45.05 H new ATOM 0 HB2 GLU A 73 24.056 30.303 9.338 1.00 55.14 H new ATOM 0 HB3 GLU A 73 22.479 30.330 10.102 1.00 55.14 H new ATOM 0 HG2 GLU A 73 22.213 32.698 9.623 1.00 44.04 H new ATOM 0 HG3 GLU A 73 23.862 32.815 9.043 1.00 44.04 H new ATOM 1227 N ALA A 74 23.979 29.194 12.541 1.00 73.45 N ATOM 1228 CA ALA A 74 23.496 28.271 13.560 1.00 30.05 C ATOM 1229 C ALA A 74 23.766 28.811 14.961 1.00 60.51 C ATOM 1230 O ALA A 74 23.078 28.455 15.919 1.00 61.15 O ATOM 1231 CB ALA A 74 24.143 26.905 13.385 1.00 12.02 C ATOM 0 H ALA A 74 24.762 28.842 11.991 1.00 73.45 H new ATOM 0 HA ALA A 74 22.418 28.168 13.440 1.00 30.05 H new ATOM 0 HB1 ALA A 74 23.773 26.226 14.153 1.00 12.02 H new ATOM 0 HB2 ALA A 74 23.895 26.509 12.400 1.00 12.02 H new ATOM 0 HB3 ALA A 74 25.225 27.001 13.476 1.00 12.02 H new ATOM 1237 N THR A 75 24.773 29.671 15.075 1.00 51.23 N ATOM 1238 CA THR A 75 25.135 30.258 16.358 1.00 2.44 C ATOM 1239 C THR A 75 23.960 31.012 16.970 1.00 54.24 C ATOM 1240 O THR A 75 23.607 30.799 18.130 1.00 70.53 O ATOM 1241 CB THR A 75 26.330 31.220 16.219 1.00 4.11 C ATOM 1242 OG1 THR A 75 27.040 30.947 15.005 1.00 14.44 O ATOM 1243 CG2 THR A 75 27.274 31.086 17.405 1.00 51.02 C ATOM 0 H THR A 75 25.353 29.976 14.293 1.00 51.23 H new ATOM 0 HA THR A 75 25.415 29.434 17.014 1.00 2.44 H new ATOM 0 HB THR A 75 25.946 32.240 16.194 1.00 4.11 H new ATOM 0 HG1 THR A 75 27.797 31.564 14.923 1.00 14.44 H new ATOM 0 HG21 THR A 75 28.110 31.775 17.284 1.00 51.02 H new ATOM 0 HG22 THR A 75 26.739 31.322 18.325 1.00 51.02 H new ATOM 0 HG23 THR A 75 27.651 30.064 17.457 1.00 51.02 H new ATOM 1251 N LYS A 76 23.355 31.895 16.182 1.00 70.02 N ATOM 1252 CA LYS A 76 22.217 32.680 16.644 1.00 14.11 C ATOM 1253 C LYS A 76 20.956 31.824 16.709 1.00 12.14 C ATOM 1254 O LYS A 76 20.080 32.053 17.545 1.00 50.44 O ATOM 1255 CB LYS A 76 21.986 33.876 15.718 1.00 42.50 C ATOM 1256 CG LYS A 76 23.238 34.697 15.461 1.00 24.12 C ATOM 1257 CD LYS A 76 23.762 35.329 16.739 1.00 5.55 C ATOM 1258 CE LYS A 76 24.022 36.817 16.559 1.00 0.33 C ATOM 1259 NZ LYS A 76 25.163 37.074 15.637 1.00 75.43 N ATOM 0 H LYS A 76 23.635 32.085 15.220 1.00 70.02 H new ATOM 0 HA LYS A 76 22.442 33.043 17.647 1.00 14.11 H new ATOM 0 HB2 LYS A 76 21.595 33.517 14.766 1.00 42.50 H new ATOM 0 HB3 LYS A 76 21.222 34.520 16.154 1.00 42.50 H new ATOM 0 HG2 LYS A 76 24.009 34.061 15.026 1.00 24.12 H new ATOM 0 HG3 LYS A 76 23.020 35.477 14.731 1.00 24.12 H new ATOM 0 HD2 LYS A 76 23.041 35.179 17.542 1.00 5.55 H new ATOM 0 HD3 LYS A 76 24.684 34.831 17.041 1.00 5.55 H new ATOM 0 HE2 LYS A 76 23.125 37.298 16.169 1.00 0.33 H new ATOM 0 HE3 LYS A 76 24.230 37.269 17.529 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 25.308 38.099 15.541 1.00 75.43 H new ATOM 0 HZ2 LYS A 76 26.025 36.637 16.021 1.00 75.43 H new ATOM 0 HZ3 LYS A 76 24.954 36.665 14.704 1.00 75.43 H new ATOM 1273 N LEU A 77 20.870 30.837 15.825 1.00 64.40 N ATOM 1274 CA LEU A 77 19.717 29.944 15.783 1.00 11.53 C ATOM 1275 C LEU A 77 19.462 29.320 17.151 1.00 13.14 C ATOM 1276 O LEU A 77 18.326 28.990 17.493 1.00 30.33 O ATOM 1277 CB LEU A 77 19.934 28.846 14.741 1.00 23.13 C ATOM 1278 CG LEU A 77 19.534 29.193 13.307 1.00 73.31 C ATOM 1279 CD1 LEU A 77 20.070 28.152 12.336 1.00 5.14 C ATOM 1280 CD2 LEU A 77 18.021 29.305 13.188 1.00 12.31 C ATOM 0 H LEU A 77 21.585 30.634 15.127 1.00 64.40 H new ATOM 0 HA LEU A 77 18.843 30.532 15.504 1.00 11.53 H new ATOM 0 HB2 LEU A 77 20.989 28.571 14.746 1.00 23.13 H new ATOM 0 HB3 LEU A 77 19.373 27.964 15.050 1.00 23.13 H new ATOM 0 HG LEU A 77 19.972 30.158 13.052 1.00 73.31 H new ATOM 0 HD11 LEU A 77 19.775 28.416 11.320 1.00 5.14 H new ATOM 0 HD12 LEU A 77 21.158 28.119 12.401 1.00 5.14 H new ATOM 0 HD13 LEU A 77 19.662 27.174 12.590 1.00 5.14 H new ATOM 0 HD21 LEU A 77 17.754 29.553 12.161 1.00 12.31 H new ATOM 0 HD22 LEU A 77 17.563 28.355 13.463 1.00 12.31 H new ATOM 0 HD23 LEU A 77 17.661 30.088 13.855 1.00 12.31 H new ATOM 1292 N LYS A 78 20.525 29.163 17.932 1.00 64.21 N ATOM 1293 CA LYS A 78 20.418 28.582 19.265 1.00 72.32 C ATOM 1294 C LYS A 78 19.481 29.405 20.143 1.00 23.13 C ATOM 1295 O LYS A 78 18.817 28.870 21.031 1.00 23.24 O ATOM 1296 CB LYS A 78 21.799 28.492 19.918 1.00 41.04 C ATOM 1297 CG LYS A 78 22.273 29.803 20.522 1.00 75.41 C ATOM 1298 CD LYS A 78 23.760 29.769 20.830 1.00 41.50 C ATOM 1299 CE LYS A 78 24.018 29.731 22.328 1.00 2.14 C ATOM 1300 NZ LYS A 78 25.461 29.919 22.648 1.00 55.33 N ATOM 0 H LYS A 78 21.472 29.431 17.664 1.00 64.21 H new ATOM 0 HA LYS A 78 20.005 27.578 19.164 1.00 72.32 H new ATOM 0 HB2 LYS A 78 21.774 27.731 20.698 1.00 41.04 H new ATOM 0 HB3 LYS A 78 22.523 28.162 19.173 1.00 41.04 H new ATOM 0 HG2 LYS A 78 22.062 30.620 19.832 1.00 75.41 H new ATOM 0 HG3 LYS A 78 21.716 30.006 21.436 1.00 75.41 H new ATOM 0 HD2 LYS A 78 24.210 28.895 20.360 1.00 41.50 H new ATOM 0 HD3 LYS A 78 24.242 30.646 20.399 1.00 41.50 H new ATOM 0 HE2 LYS A 78 23.433 30.510 22.817 1.00 2.14 H new ATOM 0 HE3 LYS A 78 23.678 28.777 22.731 1.00 2.14 H new ATOM 0 HZ1 LYS A 78 25.595 29.887 23.679 1.00 55.33 H new ATOM 0 HZ2 LYS A 78 26.017 29.161 22.203 1.00 55.33 H new ATOM 0 HZ3 LYS A 78 25.780 30.841 22.286 1.00 55.33 H new ATOM 1314 N TYR A 79 19.432 30.708 19.889 1.00 71.31 N ATOM 1315 CA TYR A 79 18.577 31.605 20.657 1.00 21.35 C ATOM 1316 C TYR A 79 17.115 31.443 20.254 1.00 72.25 C ATOM 1317 O TYR A 79 16.209 31.635 21.065 1.00 72.51 O ATOM 1318 CB TYR A 79 19.015 33.056 20.458 1.00 42.53 C ATOM 1319 CG TYR A 79 20.379 33.362 21.034 1.00 1.23 C ATOM 1320 CD1 TYR A 79 21.536 33.094 20.313 1.00 51.14 C ATOM 1321 CD2 TYR A 79 20.511 33.918 22.301 1.00 63.03 C ATOM 1322 CE1 TYR A 79 22.784 33.371 20.836 1.00 63.05 C ATOM 1323 CE2 TYR A 79 21.755 34.200 22.831 1.00 64.50 C ATOM 1324 CZ TYR A 79 22.889 33.924 22.095 1.00 52.12 C ATOM 1325 OH TYR A 79 24.130 34.202 22.620 1.00 30.20 O ATOM 0 H TYR A 79 19.975 31.167 19.157 1.00 71.31 H new ATOM 0 HA TYR A 79 18.675 31.345 21.711 1.00 21.35 H new ATOM 0 HB2 TYR A 79 19.021 33.282 19.392 1.00 42.53 H new ATOM 0 HB3 TYR A 79 18.279 33.715 20.919 1.00 42.53 H new ATOM 0 HD1 TYR A 79 21.458 32.662 19.326 1.00 51.14 H new ATOM 0 HD2 TYR A 79 19.626 34.133 22.881 1.00 63.03 H new ATOM 0 HE1 TYR A 79 23.673 33.156 20.262 1.00 63.05 H new ATOM 0 HE2 TYR A 79 21.840 34.634 23.816 1.00 64.50 H new ATOM 0 HH TYR A 79 24.028 34.589 23.514 1.00 30.20 H new ATOM 1335 N LYS A 80 16.892 31.088 18.993 1.00 61.43 N ATOM 1336 CA LYS A 80 15.541 30.897 18.478 1.00 22.02 C ATOM 1337 C LYS A 80 15.050 29.479 18.751 1.00 62.23 C ATOM 1338 O LYS A 80 13.847 29.235 18.849 1.00 4.14 O ATOM 1339 CB LYS A 80 15.501 31.182 16.975 1.00 12.02 C ATOM 1340 CG LYS A 80 15.986 32.573 16.607 1.00 54.53 C ATOM 1341 CD LYS A 80 17.132 32.519 15.610 1.00 14.13 C ATOM 1342 CE LYS A 80 16.999 33.600 14.548 1.00 35.24 C ATOM 1343 NZ LYS A 80 16.606 33.034 13.228 1.00 43.43 N ATOM 0 H LYS A 80 17.630 30.927 18.308 1.00 61.43 H new ATOM 0 HA LYS A 80 14.881 31.596 18.992 1.00 22.02 H new ATOM 0 HB2 LYS A 80 16.114 30.444 16.457 1.00 12.02 H new ATOM 0 HB3 LYS A 80 14.479 31.056 16.617 1.00 12.02 H new ATOM 0 HG2 LYS A 80 15.161 33.147 16.184 1.00 54.53 H new ATOM 0 HG3 LYS A 80 16.310 33.096 17.507 1.00 54.53 H new ATOM 0 HD2 LYS A 80 18.079 32.639 16.136 1.00 14.13 H new ATOM 0 HD3 LYS A 80 17.154 31.539 15.133 1.00 14.13 H new ATOM 0 HE2 LYS A 80 16.256 34.332 14.865 1.00 35.24 H new ATOM 0 HE3 LYS A 80 17.946 34.130 14.449 1.00 35.24 H new ATOM 0 HZ1 LYS A 80 16.526 33.802 12.531 1.00 43.43 H new ATOM 0 HZ2 LYS A 80 17.328 32.354 12.913 1.00 43.43 H new ATOM 0 HZ3 LYS A 80 15.690 32.550 13.317 1.00 43.43 H new ATOM 1357 N LYS A 81 15.989 28.546 18.873 1.00 74.00 N ATOM 1358 CA LYS A 81 15.653 27.152 19.137 1.00 35.01 C ATOM 1359 C LYS A 81 15.378 26.930 20.621 1.00 5.22 C ATOM 1360 O LYS A 81 15.361 27.878 21.407 1.00 21.52 O ATOM 1361 CB LYS A 81 16.788 26.236 18.675 1.00 72.22 C ATOM 1362 CG LYS A 81 16.392 25.298 17.547 1.00 11.32 C ATOM 1363 CD LYS A 81 17.610 24.755 16.820 1.00 44.33 C ATOM 1364 CE LYS A 81 17.308 23.430 16.138 1.00 73.12 C ATOM 1365 NZ LYS A 81 18.551 22.690 15.787 1.00 24.45 N ATOM 0 H LYS A 81 16.989 28.731 18.793 1.00 74.00 H new ATOM 0 HA LYS A 81 14.749 26.910 18.578 1.00 35.01 H new ATOM 0 HB2 LYS A 81 17.628 26.849 18.349 1.00 72.22 H new ATOM 0 HB3 LYS A 81 17.135 25.645 19.523 1.00 72.22 H new ATOM 0 HG2 LYS A 81 15.808 24.470 17.949 1.00 11.32 H new ATOM 0 HG3 LYS A 81 15.751 25.827 16.841 1.00 11.32 H new ATOM 0 HD2 LYS A 81 17.945 25.479 16.078 1.00 44.33 H new ATOM 0 HD3 LYS A 81 18.428 24.623 17.528 1.00 44.33 H new ATOM 0 HE2 LYS A 81 16.693 22.815 16.795 1.00 73.12 H new ATOM 0 HE3 LYS A 81 16.726 23.611 15.234 1.00 73.12 H new ATOM 0 HZ1 LYS A 81 18.302 21.793 15.324 1.00 24.45 H new ATOM 0 HZ2 LYS A 81 19.126 23.265 15.139 1.00 24.45 H new ATOM 0 HZ3 LYS A 81 19.094 22.494 16.652 1.00 24.45 H new ATOM 1379 N ASP A 82 15.166 25.674 20.998 1.00 64.05 N ATOM 1380 CA ASP A 82 14.896 25.328 22.388 1.00 20.31 C ATOM 1381 C ASP A 82 16.105 25.628 23.268 1.00 45.20 C ATOM 1382 O ASP A 82 17.062 26.265 22.828 1.00 54.33 O ATOM 1383 CB ASP A 82 14.520 23.850 22.504 1.00 30.31 C ATOM 1384 CG ASP A 82 13.345 23.623 23.435 1.00 24.53 C ATOM 1385 OD1 ASP A 82 13.437 24.024 24.614 1.00 24.52 O ATOM 1386 OD2 ASP A 82 12.335 23.043 22.986 1.00 74.15 O ATOM 0 H ASP A 82 15.176 24.878 20.360 1.00 64.05 H new ATOM 0 HA ASP A 82 14.059 25.936 22.732 1.00 20.31 H new ATOM 0 HB2 ASP A 82 14.277 23.461 21.515 1.00 30.31 H new ATOM 0 HB3 ASP A 82 15.380 23.286 22.865 1.00 30.31 H new ATOM 1391 N GLU A 83 16.055 25.166 24.513 1.00 35.23 N ATOM 1392 CA GLU A 83 17.146 25.387 25.455 1.00 53.31 C ATOM 1393 C GLU A 83 18.470 24.894 24.879 1.00 32.31 C ATOM 1394 O GLU A 83 18.494 24.171 23.882 1.00 3.50 O ATOM 1395 CB GLU A 83 16.857 24.678 26.780 1.00 43.41 C ATOM 1396 CG GLU A 83 16.732 23.170 26.648 1.00 34.14 C ATOM 1397 CD GLU A 83 17.453 22.426 27.755 1.00 23.40 C ATOM 1398 OE1 GLU A 83 17.639 23.012 28.842 1.00 72.41 O ATOM 1399 OE2 GLU A 83 17.832 21.256 27.533 1.00 4.45 O ATOM 0 H GLU A 83 15.271 24.636 24.893 1.00 35.23 H new ATOM 0 HA GLU A 83 17.225 26.459 25.635 1.00 53.31 H new ATOM 0 HB2 GLU A 83 17.654 24.908 27.487 1.00 43.41 H new ATOM 0 HB3 GLU A 83 15.933 25.075 27.201 1.00 43.41 H new ATOM 0 HG2 GLU A 83 15.677 22.894 26.657 1.00 34.14 H new ATOM 0 HG3 GLU A 83 17.135 22.859 25.684 1.00 34.14 H new ATOM 1406 N ILE A 84 19.568 25.289 25.514 1.00 42.13 N ATOM 1407 CA ILE A 84 20.896 24.887 25.065 1.00 15.04 C ATOM 1408 C ILE A 84 21.768 24.462 26.242 1.00 51.42 C ATOM 1409 O ILE A 84 22.637 25.213 26.687 1.00 21.02 O ATOM 1410 CB ILE A 84 21.600 26.024 24.302 1.00 24.02 C ATOM 1411 CG1 ILE A 84 20.674 26.597 23.228 1.00 50.41 C ATOM 1412 CG2 ILE A 84 22.895 25.521 23.680 1.00 14.40 C ATOM 1413 CD1 ILE A 84 20.320 25.605 22.143 1.00 73.31 C ATOM 0 H ILE A 84 19.565 25.887 26.341 1.00 42.13 H new ATOM 0 HA ILE A 84 20.760 24.040 24.393 1.00 15.04 H new ATOM 0 HB ILE A 84 21.843 26.819 25.007 1.00 24.02 H new ATOM 0 HG12 ILE A 84 19.757 26.949 23.701 1.00 50.41 H new ATOM 0 HG13 ILE A 84 21.152 27.465 22.774 1.00 50.41 H new ATOM 0 HG21 ILE A 84 23.382 26.336 23.144 1.00 14.40 H new ATOM 0 HG22 ILE A 84 23.558 25.156 24.465 1.00 14.40 H new ATOM 0 HG23 ILE A 84 22.674 24.710 22.985 1.00 14.40 H new ATOM 0 HD11 ILE A 84 19.661 26.080 21.416 1.00 73.31 H new ATOM 0 HD12 ILE A 84 21.230 25.271 21.644 1.00 73.31 H new ATOM 0 HD13 ILE A 84 19.814 24.747 22.585 1.00 73.31 H new ATOM 1425 N LEU A 85 21.532 23.254 26.740 1.00 32.12 N ATOM 1426 CA LEU A 85 22.297 22.727 27.865 1.00 45.13 C ATOM 1427 C LEU A 85 23.689 22.288 27.418 1.00 15.45 C ATOM 1428 O LEU A 85 23.901 21.957 26.253 1.00 55.24 O ATOM 1429 CB LEU A 85 21.559 21.549 28.503 1.00 40.22 C ATOM 1430 CG LEU A 85 22.152 21.011 29.805 1.00 2.34 C ATOM 1431 CD1 LEU A 85 21.053 20.747 30.823 1.00 25.31 C ATOM 1432 CD2 LEU A 85 22.955 19.745 29.543 1.00 11.32 C ATOM 0 H LEU A 85 20.817 22.620 26.383 1.00 32.12 H new ATOM 0 HA LEU A 85 22.405 23.522 28.603 1.00 45.13 H new ATOM 0 HB2 LEU A 85 20.529 21.852 28.694 1.00 40.22 H new ATOM 0 HB3 LEU A 85 21.523 20.734 27.780 1.00 40.22 H new ATOM 0 HG LEU A 85 22.824 21.765 30.214 1.00 2.34 H new ATOM 0 HD11 LEU A 85 21.494 20.364 31.743 1.00 25.31 H new ATOM 0 HD12 LEU A 85 20.522 21.675 31.034 1.00 25.31 H new ATOM 0 HD13 LEU A 85 20.355 20.012 30.422 1.00 25.31 H new ATOM 0 HD21 LEU A 85 23.370 19.376 30.481 1.00 11.32 H new ATOM 0 HD22 LEU A 85 22.305 18.985 29.110 1.00 11.32 H new ATOM 0 HD23 LEU A 85 23.767 19.966 28.850 1.00 11.32 H new ATOM 1444 N GLU A 86 24.632 22.287 28.355 1.00 10.11 N ATOM 1445 CA GLU A 86 26.002 21.887 28.057 1.00 3.45 C ATOM 1446 C GLU A 86 26.138 20.367 28.058 1.00 0.41 C ATOM 1447 O GLU A 86 26.318 19.750 29.107 1.00 64.24 O ATOM 1448 CB GLU A 86 26.968 22.497 29.076 1.00 34.13 C ATOM 1449 CG GLU A 86 27.077 24.010 28.982 1.00 34.41 C ATOM 1450 CD GLU A 86 28.173 24.572 29.866 1.00 33.44 C ATOM 1451 OE1 GLU A 86 28.275 24.137 31.033 1.00 73.43 O ATOM 1452 OE2 GLU A 86 28.928 25.446 29.393 1.00 70.01 O ATOM 0 H GLU A 86 24.473 22.558 29.325 1.00 10.11 H new ATOM 0 HA GLU A 86 26.253 22.256 27.063 1.00 3.45 H new ATOM 0 HB2 GLU A 86 26.642 22.226 30.080 1.00 34.13 H new ATOM 0 HB3 GLU A 86 27.957 22.060 28.933 1.00 34.13 H new ATOM 0 HG2 GLU A 86 27.269 24.293 27.947 1.00 34.41 H new ATOM 0 HG3 GLU A 86 26.124 24.457 29.263 1.00 34.41 H new ATOM 1459 N GLY A 87 26.049 19.771 26.873 1.00 21.42 N ATOM 1460 CA GLY A 87 26.163 18.328 26.759 1.00 41.44 C ATOM 1461 C GLY A 87 26.567 17.888 25.366 1.00 71.43 C ATOM 1462 O GLY A 87 26.271 16.767 24.953 1.00 24.30 O ATOM 0 H GLY A 87 25.900 20.261 25.991 1.00 21.42 H new ATOM 0 HA2 GLY A 87 26.898 17.966 27.479 1.00 41.44 H new ATOM 0 HA3 GLY A 87 25.209 17.869 27.020 1.00 41.44 H new ATOM 1466 N GLU A 88 27.243 18.772 24.639 1.00 12.32 N ATOM 1467 CA GLU A 88 27.685 18.468 23.283 1.00 31.04 C ATOM 1468 C GLU A 88 28.449 17.148 23.244 1.00 60.33 C ATOM 1469 O GLU A 88 28.996 16.688 24.246 1.00 23.31 O ATOM 1470 CB GLU A 88 28.567 19.597 22.745 1.00 31.34 C ATOM 1471 CG GLU A 88 29.596 20.095 23.746 1.00 32.13 C ATOM 1472 CD GLU A 88 29.267 21.474 24.283 1.00 1.41 C ATOM 1473 OE1 GLU A 88 28.996 22.380 23.467 1.00 1.04 O ATOM 1474 OE2 GLU A 88 29.281 21.648 25.520 1.00 71.31 O ATOM 0 H GLU A 88 27.496 19.704 24.966 1.00 12.32 H new ATOM 0 HA GLU A 88 26.801 18.376 22.652 1.00 31.04 H new ATOM 0 HB2 GLU A 88 29.082 19.249 21.850 1.00 31.34 H new ATOM 0 HB3 GLU A 88 27.932 20.430 22.444 1.00 31.34 H new ATOM 0 HG2 GLU A 88 29.660 19.392 24.576 1.00 32.13 H new ATOM 0 HG3 GLU A 88 30.577 20.118 23.272 1.00 32.13 H new ATOM 1481 N PRO A 89 28.487 16.522 22.058 1.00 43.22 N ATOM 1482 CA PRO A 89 29.181 15.246 21.858 1.00 51.32 C ATOM 1483 C PRO A 89 30.697 15.391 21.941 1.00 54.22 C ATOM 1484 O PRO A 89 31.212 16.468 22.241 1.00 11.30 O ATOM 1485 CB PRO A 89 28.760 14.831 20.446 1.00 51.21 C ATOM 1486 CG PRO A 89 28.423 16.110 19.760 1.00 62.13 C ATOM 1487 CD PRO A 89 27.857 17.013 20.821 1.00 70.44 C ATOM 0 HA PRO A 89 28.923 14.517 22.626 1.00 51.32 H new ATOM 0 HB2 PRO A 89 29.565 14.306 19.931 1.00 51.21 H new ATOM 0 HB3 PRO A 89 27.904 14.157 20.470 1.00 51.21 H new ATOM 0 HG2 PRO A 89 29.308 16.552 19.303 1.00 62.13 H new ATOM 0 HG3 PRO A 89 27.700 15.946 18.961 1.00 62.13 H new ATOM 0 HD2 PRO A 89 28.103 18.058 20.632 1.00 70.44 H new ATOM 0 HD3 PRO A 89 26.770 16.945 20.869 1.00 70.44 H new ATOM 1495 N VAL A 90 31.407 14.300 21.672 1.00 35.13 N ATOM 1496 CA VAL A 90 32.864 14.306 21.715 1.00 51.20 C ATOM 1497 C VAL A 90 33.453 14.582 20.336 1.00 12.42 C ATOM 1498 O VAL A 90 33.271 13.798 19.405 1.00 4.42 O ATOM 1499 CB VAL A 90 33.416 12.967 22.238 1.00 72.31 C ATOM 1500 CG1 VAL A 90 34.937 12.983 22.247 1.00 72.31 C ATOM 1501 CG2 VAL A 90 32.869 12.671 23.627 1.00 43.54 C ATOM 0 H VAL A 90 30.996 13.400 21.422 1.00 35.13 H new ATOM 0 HA VAL A 90 33.157 15.103 22.399 1.00 51.20 H new ATOM 0 HB VAL A 90 33.089 12.173 21.567 1.00 72.31 H new ATOM 0 HG11 VAL A 90 35.309 12.028 22.620 1.00 72.31 H new ATOM 0 HG12 VAL A 90 35.305 13.145 21.234 1.00 72.31 H new ATOM 0 HG13 VAL A 90 35.289 13.787 22.894 1.00 72.31 H new ATOM 0 HG21 VAL A 90 33.270 11.721 23.981 1.00 43.54 H new ATOM 0 HG22 VAL A 90 33.164 13.467 24.311 1.00 43.54 H new ATOM 0 HG23 VAL A 90 31.781 12.613 23.585 1.00 43.54 H new ATOM 1511 N GLN A 91 34.159 15.702 20.214 1.00 70.31 N ATOM 1512 CA GLN A 91 34.775 16.081 18.948 1.00 53.41 C ATOM 1513 C GLN A 91 36.241 16.453 19.145 1.00 14.33 C ATOM 1514 O GLN A 91 36.726 16.523 20.274 1.00 34.12 O ATOM 1515 CB GLN A 91 34.019 17.254 18.320 1.00 31.13 C ATOM 1516 CG GLN A 91 33.353 16.911 16.997 1.00 25.43 C ATOM 1517 CD GLN A 91 31.963 17.501 16.873 1.00 52.01 C ATOM 1518 OE1 GLN A 91 31.801 18.664 16.503 1.00 15.44 O ATOM 1519 NE2 GLN A 91 30.950 16.700 17.181 1.00 15.15 N ATOM 0 H GLN A 91 34.318 16.362 20.975 1.00 70.31 H new ATOM 0 HA GLN A 91 34.724 15.223 18.277 1.00 53.41 H new ATOM 0 HB2 GLN A 91 33.259 17.602 19.020 1.00 31.13 H new ATOM 0 HB3 GLN A 91 34.712 18.081 18.165 1.00 31.13 H new ATOM 0 HG2 GLN A 91 33.973 17.275 16.178 1.00 25.43 H new ATOM 0 HG3 GLN A 91 33.294 15.827 16.895 1.00 25.43 H new ATOM 0 HE21 GLN A 91 31.130 15.743 17.483 1.00 15.15 H new ATOM 0 HE22 GLN A 91 29.991 17.042 17.115 1.00 15.15 H new ATOM 1528 N GLN A 92 36.940 16.691 18.040 1.00 32.42 N ATOM 1529 CA GLN A 92 38.351 17.054 18.093 1.00 12.30 C ATOM 1530 C GLN A 92 38.622 18.304 17.262 1.00 64.22 C ATOM 1531 O GLN A 92 37.713 18.862 16.648 1.00 45.51 O ATOM 1532 CB GLN A 92 39.217 15.897 17.593 1.00 74.40 C ATOM 1533 CG GLN A 92 38.861 15.432 16.190 1.00 54.41 C ATOM 1534 CD GLN A 92 40.042 15.484 15.241 1.00 73.21 C ATOM 1535 OE1 GLN A 92 39.993 16.149 14.206 1.00 75.54 O ATOM 1536 NE2 GLN A 92 41.113 14.780 15.590 1.00 54.34 N ATOM 0 H GLN A 92 36.553 16.639 17.098 1.00 32.42 H new ATOM 0 HA GLN A 92 38.607 17.267 19.131 1.00 12.30 H new ATOM 0 HB2 GLN A 92 40.263 16.203 17.611 1.00 74.40 H new ATOM 0 HB3 GLN A 92 39.119 15.057 18.281 1.00 74.40 H new ATOM 0 HG2 GLN A 92 38.481 14.412 16.235 1.00 54.41 H new ATOM 0 HG3 GLN A 92 38.057 16.055 15.798 1.00 54.41 H new ATOM 0 HE21 GLN A 92 41.110 14.243 16.457 1.00 54.34 H new ATOM 0 HE22 GLN A 92 41.938 14.777 14.991 1.00 54.34 H new ATOM 1545 N SER A 93 39.879 18.737 17.247 1.00 12.32 N ATOM 1546 CA SER A 93 40.269 19.924 16.495 1.00 64.23 C ATOM 1547 C SER A 93 41.419 19.609 15.542 1.00 32.12 C ATOM 1548 O SER A 93 42.118 18.611 15.707 1.00 65.13 O ATOM 1549 CB SER A 93 40.676 21.048 17.449 1.00 24.13 C ATOM 1550 OG SER A 93 39.678 21.271 18.430 1.00 72.03 O ATOM 0 H SER A 93 40.644 18.284 17.747 1.00 12.32 H new ATOM 0 HA SER A 93 39.411 20.250 15.907 1.00 64.23 H new ATOM 0 HB2 SER A 93 41.618 20.793 17.935 1.00 24.13 H new ATOM 0 HB3 SER A 93 40.846 21.965 16.884 1.00 24.13 H new ATOM 0 HG SER A 93 39.963 21.993 19.028 1.00 72.03 H new TER 1556 SER A 93