USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 28 MET CE :methyl -176:sc= -0.949 (180deg=-0.025) USER MOD Set 1.2: A 45 CYS SG : rot 72:sc= -1.08 USER MOD Set 2.1: A 7 MET CE :methyl 180:sc= -0.0727 (180deg=-0.0727) USER MOD Set 2.2: A 15 MET CE :methyl -169:sc= 0 (180deg=-0.142) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.109 (180deg=-0.543) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0015 (180deg=-0.165) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0.335 (180deg=0.335) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.929 USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.13) USER MOD Single : A 14 GLN : amide:sc= -0.885 X(o=-0.88,f=-0.84) USER MOD Single : A 19 THR OG1 : rot -84:sc= -0.577! USER MOD Single : A 25 ASN : amide:sc= 0.389 K(o=0.39,f=-0.18) USER MOD Single : A 26 ASN : amide:sc= -0.119! K(o=-0.12!,f=-1) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00774 USER MOD Single : A 37 MET CE :methyl -110:sc= -0.481 (180deg=-2.38!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.305 USER MOD Single : A 48 HIS : no HE2:sc= -0.868 K(o=-0.87,f=-2.7) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 0.929 (180deg=0.035) USER MOD Single : A 57 LYS NZ :NH3+ -130:sc= 0.676 (180deg=-0.387) USER MOD Single : A 60 ASN : amide:sc= -1.94! C(o=-1.9!,f=-11!) USER MOD Single : A 62 TYR OH : rot 168:sc= -0.0729 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 138:sc= 1.27 (180deg=0.0905!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.501 1.484 7.810 1.00 12.24 N ATOM 2 CA MET A 1 12.761 0.288 7.326 1.00 33.21 C ATOM 3 C MET A 1 12.130 0.536 5.949 1.00 33.53 C ATOM 4 O MET A 1 11.639 1.629 5.668 1.00 31.11 O ATOM 5 CB MET A 1 11.669 -0.097 8.336 1.00 71.52 C ATOM 6 CG MET A 1 12.208 -0.618 9.664 1.00 53.15 C ATOM 7 SD MET A 1 10.909 -0.875 10.891 1.00 53.42 S ATOM 8 CE MET A 1 9.824 -2.011 10.025 1.00 72.54 C ATOM 0 H1 MET A 1 14.092 1.221 8.624 1.00 12.24 H new ATOM 0 H2 MET A 1 14.106 1.850 7.047 1.00 12.24 H new ATOM 0 H3 MET A 1 12.823 2.219 8.098 1.00 12.24 H new ATOM 0 HA MET A 1 13.475 -0.530 7.228 1.00 33.21 H new ATOM 0 HB2 MET A 1 11.042 0.774 8.527 1.00 71.52 H new ATOM 0 HB3 MET A 1 11.029 -0.859 7.891 1.00 71.52 H new ATOM 0 HG2 MET A 1 12.733 -1.558 9.495 1.00 53.15 H new ATOM 0 HG3 MET A 1 12.939 0.089 10.057 1.00 53.15 H new ATOM 0 HE1 MET A 1 9.155 -2.491 10.739 1.00 72.54 H new ATOM 0 HE2 MET A 1 9.236 -1.463 9.289 1.00 72.54 H new ATOM 0 HE3 MET A 1 10.421 -2.770 9.520 1.00 72.54 H new ATOM 20 N LYS A 2 12.156 -0.484 5.091 1.00 51.43 N ATOM 21 CA LYS A 2 11.544 -0.402 3.758 1.00 43.04 C ATOM 22 C LYS A 2 10.331 -1.343 3.640 1.00 5.40 C ATOM 23 O LYS A 2 10.224 -2.338 4.359 1.00 12.01 O ATOM 24 CB LYS A 2 12.585 -0.718 2.667 1.00 3.53 C ATOM 25 CG LYS A 2 13.754 0.267 2.628 1.00 73.13 C ATOM 26 CD LYS A 2 13.290 1.705 2.368 1.00 35.04 C ATOM 27 CE LYS A 2 12.801 1.911 0.936 1.00 61.15 C ATOM 28 NZ LYS A 2 13.914 1.833 -0.046 1.00 35.02 N ATOM 0 H LYS A 2 12.596 -1.382 5.294 1.00 51.43 H new ATOM 0 HA LYS A 2 11.188 0.618 3.615 1.00 43.04 H new ATOM 0 HB2 LYS A 2 12.974 -1.723 2.829 1.00 3.53 H new ATOM 0 HB3 LYS A 2 12.091 -0.720 1.696 1.00 3.53 H new ATOM 0 HG2 LYS A 2 14.293 0.226 3.574 1.00 73.13 H new ATOM 0 HG3 LYS A 2 14.455 -0.034 1.849 1.00 73.13 H new ATOM 0 HD2 LYS A 2 12.488 1.956 3.062 1.00 35.04 H new ATOM 0 HD3 LYS A 2 14.113 2.391 2.570 1.00 35.04 H new ATOM 0 HE2 LYS A 2 12.052 1.157 0.696 1.00 61.15 H new ATOM 0 HE3 LYS A 2 12.313 2.882 0.855 1.00 61.15 H new ATOM 0 HZ1 LYS A 2 13.541 1.978 -1.006 1.00 35.02 H new ATOM 0 HZ2 LYS A 2 14.617 2.569 0.167 1.00 35.02 H new ATOM 0 HZ3 LYS A 2 14.364 0.897 0.013 1.00 35.02 H new ATOM 42 N ILE A 3 9.426 -1.023 2.717 1.00 5.41 N ATOM 43 CA ILE A 3 8.151 -1.743 2.587 1.00 61.43 C ATOM 44 C ILE A 3 8.318 -3.140 1.960 1.00 34.35 C ATOM 45 O ILE A 3 9.058 -3.318 0.993 1.00 51.11 O ATOM 46 CB ILE A 3 7.141 -0.923 1.740 1.00 11.54 C ATOM 47 CG1 ILE A 3 6.904 0.457 2.376 1.00 33.11 C ATOM 48 CG2 ILE A 3 5.820 -1.678 1.574 1.00 11.20 C ATOM 49 CD1 ILE A 3 6.280 0.395 3.755 1.00 40.54 C ATOM 0 H ILE A 3 9.549 -0.267 2.043 1.00 5.41 H new ATOM 0 HA ILE A 3 7.770 -1.873 3.600 1.00 61.43 H new ATOM 0 HB ILE A 3 7.569 -0.778 0.748 1.00 11.54 H new ATOM 0 HG12 ILE A 3 7.855 0.985 2.441 1.00 33.11 H new ATOM 0 HG13 ILE A 3 6.259 1.043 1.721 1.00 33.11 H new ATOM 0 HG21 ILE A 3 5.132 -1.080 0.977 1.00 11.20 H new ATOM 0 HG22 ILE A 3 6.004 -2.628 1.073 1.00 11.20 H new ATOM 0 HG23 ILE A 3 5.382 -1.864 2.554 1.00 11.20 H new ATOM 0 HD11 ILE A 3 6.144 1.406 4.138 1.00 40.54 H new ATOM 0 HD12 ILE A 3 5.313 -0.104 3.695 1.00 40.54 H new ATOM 0 HD13 ILE A 3 6.934 -0.162 4.426 1.00 40.54 H new ATOM 61 N THR A 4 7.613 -4.126 2.518 1.00 15.13 N ATOM 62 CA THR A 4 7.604 -5.493 1.972 1.00 73.55 C ATOM 63 C THR A 4 6.175 -5.932 1.632 1.00 43.55 C ATOM 64 O THR A 4 5.209 -5.414 2.195 1.00 20.14 O ATOM 65 CB THR A 4 8.206 -6.519 2.964 1.00 45.53 C ATOM 66 OG1 THR A 4 7.385 -6.618 4.137 1.00 65.25 O ATOM 67 CG2 THR A 4 9.625 -6.131 3.368 1.00 1.55 C ATOM 0 H THR A 4 7.037 -4.007 3.351 1.00 15.13 H new ATOM 0 HA THR A 4 8.217 -5.470 1.071 1.00 73.55 H new ATOM 0 HB THR A 4 8.241 -7.485 2.461 1.00 45.53 H new ATOM 0 HG1 THR A 4 7.775 -7.271 4.755 1.00 65.25 H new ATOM 0 HG21 THR A 4 10.020 -6.870 4.065 1.00 1.55 H new ATOM 0 HG22 THR A 4 10.258 -6.093 2.482 1.00 1.55 H new ATOM 0 HG23 THR A 4 9.612 -5.152 3.847 1.00 1.55 H new ATOM 75 N LYS A 5 6.037 -6.899 0.726 1.00 32.54 N ATOM 76 CA LYS A 5 4.712 -7.401 0.324 1.00 33.22 C ATOM 77 C LYS A 5 4.004 -8.135 1.478 1.00 34.04 C ATOM 78 O LYS A 5 2.797 -8.382 1.423 1.00 73.14 O ATOM 79 CB LYS A 5 4.844 -8.320 -0.902 1.00 42.12 C ATOM 80 CG LYS A 5 5.712 -9.556 -0.668 1.00 21.32 C ATOM 81 CD LYS A 5 6.014 -10.303 -1.971 1.00 14.45 C ATOM 82 CE LYS A 5 6.871 -9.468 -2.923 1.00 22.41 C ATOM 83 NZ LYS A 5 7.203 -10.205 -4.174 1.00 24.55 N ATOM 0 H LYS A 5 6.820 -7.353 0.255 1.00 32.54 H new ATOM 0 HA LYS A 5 4.096 -6.541 0.060 1.00 33.22 H new ATOM 0 HB2 LYS A 5 3.849 -8.642 -1.210 1.00 42.12 H new ATOM 0 HB3 LYS A 5 5.263 -7.746 -1.729 1.00 42.12 H new ATOM 0 HG2 LYS A 5 6.648 -9.257 -0.197 1.00 21.32 H new ATOM 0 HG3 LYS A 5 5.206 -10.228 0.026 1.00 21.32 H new ATOM 0 HD2 LYS A 5 6.529 -11.236 -1.743 1.00 14.45 H new ATOM 0 HD3 LYS A 5 5.078 -10.567 -2.463 1.00 14.45 H new ATOM 0 HE2 LYS A 5 6.342 -8.549 -3.174 1.00 22.41 H new ATOM 0 HE3 LYS A 5 7.793 -9.177 -2.419 1.00 22.41 H new ATOM 0 HZ1 LYS A 5 7.813 -9.614 -4.774 1.00 24.55 H new ATOM 0 HZ2 LYS A 5 7.701 -11.086 -3.936 1.00 24.55 H new ATOM 0 HZ3 LYS A 5 6.327 -10.431 -4.687 1.00 24.55 H new ATOM 97 N ASP A 6 4.763 -8.461 2.521 1.00 53.35 N ATOM 98 CA ASP A 6 4.225 -9.128 3.709 1.00 43.42 C ATOM 99 C ASP A 6 3.563 -8.116 4.668 1.00 34.43 C ATOM 100 O ASP A 6 2.755 -8.492 5.524 1.00 4.12 O ATOM 101 CB ASP A 6 5.351 -9.893 4.421 1.00 0.40 C ATOM 102 CG ASP A 6 4.871 -10.619 5.667 1.00 62.10 C ATOM 103 OD1 ASP A 6 4.165 -11.643 5.531 1.00 2.04 O ATOM 104 OD2 ASP A 6 5.191 -10.168 6.788 1.00 50.43 O ATOM 0 H ASP A 6 5.764 -8.272 2.569 1.00 53.35 H new ATOM 0 HA ASP A 6 3.454 -9.832 3.395 1.00 43.42 H new ATOM 0 HB2 ASP A 6 5.787 -10.615 3.730 1.00 0.40 H new ATOM 0 HB3 ASP A 6 6.142 -9.195 4.694 1.00 0.40 H new ATOM 109 N MET A 7 3.904 -6.835 4.521 1.00 15.33 N ATOM 110 CA MET A 7 3.342 -5.781 5.372 1.00 51.23 C ATOM 111 C MET A 7 1.822 -5.647 5.196 1.00 73.24 C ATOM 112 O MET A 7 1.273 -5.938 4.132 1.00 1.15 O ATOM 113 CB MET A 7 4.014 -4.434 5.075 1.00 4.21 C ATOM 114 CG MET A 7 5.443 -4.327 5.584 1.00 20.40 C ATOM 115 SD MET A 7 6.187 -2.731 5.191 1.00 30.33 S ATOM 116 CE MET A 7 7.682 -2.797 6.173 1.00 72.42 C ATOM 0 H MET A 7 4.566 -6.501 3.821 1.00 15.33 H new ATOM 0 HA MET A 7 3.538 -6.068 6.405 1.00 51.23 H new ATOM 0 HB2 MET A 7 4.010 -4.268 3.998 1.00 4.21 H new ATOM 0 HB3 MET A 7 3.420 -3.637 5.522 1.00 4.21 H new ATOM 0 HG2 MET A 7 5.455 -4.476 6.664 1.00 20.40 H new ATOM 0 HG3 MET A 7 6.044 -5.124 5.146 1.00 20.40 H new ATOM 0 HE1 MET A 7 8.249 -1.877 6.034 1.00 72.42 H new ATOM 0 HE2 MET A 7 7.421 -2.907 7.226 1.00 72.42 H new ATOM 0 HE3 MET A 7 8.287 -3.647 5.858 1.00 72.42 H new ATOM 126 N ILE A 8 1.152 -5.201 6.255 1.00 64.01 N ATOM 127 CA ILE A 8 -0.295 -4.968 6.225 1.00 34.31 C ATOM 128 C ILE A 8 -0.607 -3.591 5.613 1.00 12.43 C ATOM 129 O ILE A 8 0.070 -2.610 5.916 1.00 2.13 O ATOM 130 CB ILE A 8 -0.900 -5.039 7.652 1.00 32.25 C ATOM 131 CG1 ILE A 8 -0.514 -6.362 8.341 1.00 64.21 C ATOM 132 CG2 ILE A 8 -2.420 -4.878 7.605 1.00 33.43 C ATOM 133 CD1 ILE A 8 -1.014 -7.606 7.630 1.00 25.41 C ATOM 0 H ILE A 8 1.589 -4.991 7.152 1.00 64.01 H new ATOM 0 HA ILE A 8 -0.742 -5.750 5.611 1.00 34.31 H new ATOM 0 HB ILE A 8 -0.489 -4.216 8.237 1.00 32.25 H new ATOM 0 HG12 ILE A 8 0.572 -6.414 8.419 1.00 64.21 H new ATOM 0 HG13 ILE A 8 -0.907 -6.356 9.358 1.00 64.21 H new ATOM 0 HG21 ILE A 8 -2.823 -4.931 8.616 1.00 33.43 H new ATOM 0 HG22 ILE A 8 -2.670 -3.913 7.165 1.00 33.43 H new ATOM 0 HG23 ILE A 8 -2.852 -5.675 7.000 1.00 33.43 H new ATOM 0 HD11 ILE A 8 -0.698 -8.492 8.181 1.00 25.41 H new ATOM 0 HD12 ILE A 8 -2.102 -7.581 7.575 1.00 25.41 H new ATOM 0 HD13 ILE A 8 -0.601 -7.640 6.622 1.00 25.41 H new ATOM 145 N ILE A 9 -1.635 -3.515 4.763 1.00 63.24 N ATOM 146 CA ILE A 9 -1.999 -2.246 4.104 1.00 43.42 C ATOM 147 C ILE A 9 -2.205 -1.108 5.125 1.00 3.31 C ATOM 148 O ILE A 9 -1.651 -0.019 4.977 1.00 52.00 O ATOM 149 CB ILE A 9 -3.279 -2.402 3.237 1.00 0.44 C ATOM 150 CG1 ILE A 9 -3.059 -3.463 2.144 1.00 52.50 C ATOM 151 CG2 ILE A 9 -3.686 -1.063 2.615 1.00 64.12 C ATOM 152 CD1 ILE A 9 -4.242 -3.644 1.211 1.00 63.33 C ATOM 0 H ILE A 9 -2.228 -4.306 4.513 1.00 63.24 H new ATOM 0 HA ILE A 9 -1.163 -1.984 3.456 1.00 43.42 H new ATOM 0 HB ILE A 9 -4.091 -2.733 3.884 1.00 0.44 H new ATOM 0 HG12 ILE A 9 -2.184 -3.187 1.555 1.00 52.50 H new ATOM 0 HG13 ILE A 9 -2.835 -4.418 2.619 1.00 52.50 H new ATOM 0 HG21 ILE A 9 -4.584 -1.200 2.013 1.00 64.12 H new ATOM 0 HG22 ILE A 9 -3.885 -0.340 3.406 1.00 64.12 H new ATOM 0 HG23 ILE A 9 -2.878 -0.695 1.983 1.00 64.12 H new ATOM 0 HD11 ILE A 9 -4.007 -4.408 0.470 1.00 63.33 H new ATOM 0 HD12 ILE A 9 -5.115 -3.952 1.786 1.00 63.33 H new ATOM 0 HD13 ILE A 9 -4.454 -2.702 0.706 1.00 63.33 H new ATOM 164 N ALA A 10 -2.994 -1.377 6.167 1.00 51.45 N ATOM 165 CA ALA A 10 -3.246 -0.388 7.225 1.00 41.10 C ATOM 166 C ALA A 10 -1.954 -0.002 7.962 1.00 12.30 C ATOM 167 O ALA A 10 -1.801 1.133 8.418 1.00 71.34 O ATOM 168 CB ALA A 10 -4.274 -0.920 8.214 1.00 10.31 C ATOM 0 H ALA A 10 -3.470 -2.269 6.304 1.00 51.45 H new ATOM 0 HA ALA A 10 -3.639 0.510 6.748 1.00 41.10 H new ATOM 0 HB1 ALA A 10 -4.450 -0.176 8.991 1.00 10.31 H new ATOM 0 HB2 ALA A 10 -5.208 -1.127 7.692 1.00 10.31 H new ATOM 0 HB3 ALA A 10 -3.901 -1.838 8.668 1.00 10.31 H new ATOM 174 N ASP A 11 -1.026 -0.954 8.070 1.00 64.23 N ATOM 175 CA ASP A 11 0.262 -0.713 8.725 1.00 12.24 C ATOM 176 C ASP A 11 1.094 0.307 7.927 1.00 14.32 C ATOM 177 O ASP A 11 1.684 1.228 8.494 1.00 53.23 O ATOM 178 CB ASP A 11 1.021 -2.034 8.876 1.00 41.15 C ATOM 179 CG ASP A 11 2.301 -1.888 9.678 1.00 24.44 C ATOM 180 OD1 ASP A 11 2.216 -1.785 10.919 1.00 73.12 O ATOM 181 OD2 ASP A 11 3.393 -1.897 9.078 1.00 2.20 O ATOM 0 H ASP A 11 -1.142 -1.902 7.711 1.00 64.23 H new ATOM 0 HA ASP A 11 0.082 -0.296 9.716 1.00 12.24 H new ATOM 0 HB2 ASP A 11 0.375 -2.766 9.361 1.00 41.15 H new ATOM 0 HB3 ASP A 11 1.260 -2.426 7.887 1.00 41.15 H new ATOM 186 N VAL A 12 1.114 0.147 6.607 1.00 31.42 N ATOM 187 CA VAL A 12 1.781 1.107 5.721 1.00 62.22 C ATOM 188 C VAL A 12 1.148 2.507 5.855 1.00 71.12 C ATOM 189 O VAL A 12 1.840 3.529 5.812 1.00 74.14 O ATOM 190 CB VAL A 12 1.715 0.640 4.242 1.00 62.34 C ATOM 191 CG1 VAL A 12 2.446 1.617 3.323 1.00 65.45 C ATOM 192 CG2 VAL A 12 2.287 -0.770 4.097 1.00 70.44 C ATOM 0 H VAL A 12 0.677 -0.637 6.123 1.00 31.42 H new ATOM 0 HA VAL A 12 2.827 1.162 6.023 1.00 62.22 H new ATOM 0 HB VAL A 12 0.667 0.619 3.942 1.00 62.34 H new ATOM 0 HG11 VAL A 12 2.383 1.264 2.294 1.00 65.45 H new ATOM 0 HG12 VAL A 12 1.985 2.602 3.398 1.00 65.45 H new ATOM 0 HG13 VAL A 12 3.492 1.683 3.621 1.00 65.45 H new ATOM 0 HG21 VAL A 12 2.232 -1.079 3.053 1.00 70.44 H new ATOM 0 HG22 VAL A 12 3.327 -0.776 4.423 1.00 70.44 H new ATOM 0 HG23 VAL A 12 1.710 -1.462 4.711 1.00 70.44 H new ATOM 202 N LEU A 13 -0.174 2.539 6.045 1.00 3.43 N ATOM 203 CA LEU A 13 -0.906 3.796 6.257 1.00 2.32 C ATOM 204 C LEU A 13 -0.503 4.476 7.579 1.00 50.11 C ATOM 205 O LEU A 13 -0.653 5.690 7.728 1.00 72.20 O ATOM 206 CB LEU A 13 -2.422 3.539 6.241 1.00 51.43 C ATOM 207 CG LEU A 13 -2.995 3.033 4.906 1.00 21.53 C ATOM 208 CD1 LEU A 13 -4.488 2.736 5.035 1.00 12.21 C ATOM 209 CD2 LEU A 13 -2.733 4.045 3.787 1.00 72.05 C ATOM 0 H LEU A 13 -0.763 1.707 6.057 1.00 3.43 H new ATOM 0 HA LEU A 13 -0.644 4.469 5.441 1.00 2.32 H new ATOM 0 HB2 LEU A 13 -2.657 2.810 7.017 1.00 51.43 H new ATOM 0 HB3 LEU A 13 -2.932 4.464 6.508 1.00 51.43 H new ATOM 0 HG LEU A 13 -2.488 2.103 4.647 1.00 21.53 H new ATOM 0 HD11 LEU A 13 -4.872 2.380 4.079 1.00 12.21 H new ATOM 0 HD12 LEU A 13 -4.642 1.971 5.796 1.00 12.21 H new ATOM 0 HD13 LEU A 13 -5.016 3.645 5.322 1.00 12.21 H new ATOM 0 HD21 LEU A 13 -3.146 3.668 2.851 1.00 72.05 H new ATOM 0 HD22 LEU A 13 -3.207 4.994 4.037 1.00 72.05 H new ATOM 0 HD23 LEU A 13 -1.659 4.194 3.675 1.00 72.05 H new ATOM 221 N GLN A 14 -0.005 3.690 8.539 1.00 44.00 N ATOM 222 CA GLN A 14 0.486 4.232 9.817 1.00 11.53 C ATOM 223 C GLN A 14 1.780 5.031 9.612 1.00 1.10 C ATOM 224 O GLN A 14 2.041 6.014 10.311 1.00 51.33 O ATOM 225 CB GLN A 14 0.747 3.101 10.824 1.00 31.25 C ATOM 226 CG GLN A 14 -0.469 2.233 11.126 1.00 24.12 C ATOM 227 CD GLN A 14 -0.147 1.089 12.076 1.00 1.25 C ATOM 228 OE1 GLN A 14 0.720 1.203 12.937 1.00 3.44 O ATOM 229 NE2 GLN A 14 -0.842 -0.023 11.935 1.00 34.41 N ATOM 0 H GLN A 14 0.070 2.676 8.458 1.00 44.00 H new ATOM 0 HA GLN A 14 -0.285 4.894 10.210 1.00 11.53 H new ATOM 0 HB2 GLN A 14 1.545 2.466 10.440 1.00 31.25 H new ATOM 0 HB3 GLN A 14 1.107 3.537 11.756 1.00 31.25 H new ATOM 0 HG2 GLN A 14 -1.254 2.852 11.561 1.00 24.12 H new ATOM 0 HG3 GLN A 14 -0.862 1.827 10.194 1.00 24.12 H new ATOM 0 HE21 GLN A 14 -1.557 -0.089 11.210 1.00 34.41 H new ATOM 0 HE22 GLN A 14 -0.665 -0.817 12.551 1.00 34.41 H new ATOM 238 N MET A 15 2.583 4.595 8.645 1.00 32.33 N ATOM 239 CA MET A 15 3.857 5.252 8.331 1.00 43.22 C ATOM 240 C MET A 15 3.615 6.610 7.659 1.00 55.03 C ATOM 241 O MET A 15 4.171 7.632 8.069 1.00 51.54 O ATOM 242 CB MET A 15 4.692 4.354 7.413 1.00 22.40 C ATOM 243 CG MET A 15 4.694 2.894 7.830 1.00 70.44 C ATOM 244 SD MET A 15 5.762 1.871 6.797 1.00 64.33 S ATOM 245 CE MET A 15 5.451 0.248 7.494 1.00 23.51 C ATOM 0 H MET A 15 2.376 3.785 8.060 1.00 32.33 H new ATOM 0 HA MET A 15 4.400 5.420 9.261 1.00 43.22 H new ATOM 0 HB2 MET A 15 4.309 4.432 6.396 1.00 22.40 H new ATOM 0 HB3 MET A 15 5.719 4.720 7.396 1.00 22.40 H new ATOM 0 HG2 MET A 15 5.019 2.818 8.868 1.00 70.44 H new ATOM 0 HG3 MET A 15 3.676 2.507 7.786 1.00 70.44 H new ATOM 0 HE1 MET A 15 6.177 -0.463 7.099 1.00 23.51 H new ATOM 0 HE2 MET A 15 5.542 0.294 8.579 1.00 23.51 H new ATOM 0 HE3 MET A 15 4.445 -0.075 7.228 1.00 23.51 H new ATOM 255 N ASP A 16 2.777 6.604 6.625 1.00 50.33 N ATOM 256 CA ASP A 16 2.396 7.832 5.919 1.00 51.35 C ATOM 257 C ASP A 16 1.024 7.663 5.237 1.00 51.13 C ATOM 258 O ASP A 16 0.753 6.639 4.607 1.00 64.32 O ATOM 259 CB ASP A 16 3.467 8.202 4.882 1.00 61.54 C ATOM 260 CG ASP A 16 3.305 9.619 4.354 1.00 31.05 C ATOM 261 OD1 ASP A 16 2.466 9.837 3.461 1.00 44.34 O ATOM 262 OD2 ASP A 16 4.018 10.525 4.832 1.00 4.15 O ATOM 0 H ASP A 16 2.345 5.758 6.253 1.00 50.33 H new ATOM 0 HA ASP A 16 2.319 8.640 6.647 1.00 51.35 H new ATOM 0 HB2 ASP A 16 4.454 8.096 5.331 1.00 61.54 H new ATOM 0 HB3 ASP A 16 3.419 7.500 4.049 1.00 61.54 H new ATOM 267 N ARG A 17 0.165 8.677 5.359 1.00 71.34 N ATOM 268 CA ARG A 17 -1.205 8.606 4.826 1.00 21.13 C ATOM 269 C ARG A 17 -1.229 8.697 3.289 1.00 43.34 C ATOM 270 O ARG A 17 -2.185 8.257 2.644 1.00 75.21 O ATOM 271 CB ARG A 17 -2.066 9.730 5.424 1.00 50.00 C ATOM 272 CG ARG A 17 -2.124 9.730 6.952 1.00 14.21 C ATOM 273 CD ARG A 17 -2.655 8.413 7.508 1.00 60.14 C ATOM 274 NE ARG A 17 -2.867 8.473 8.957 1.00 35.22 N ATOM 275 CZ ARG A 17 -3.015 7.428 9.726 1.00 51.13 C ATOM 276 NH1 ARG A 17 -2.880 6.233 9.247 1.00 70.32 N ATOM 277 NH2 ARG A 17 -3.269 7.590 10.986 1.00 10.43 N ATOM 0 H ARG A 17 0.390 9.558 5.821 1.00 71.34 H new ATOM 0 HA ARG A 17 -1.615 7.637 5.111 1.00 21.13 H new ATOM 0 HB2 ARG A 17 -1.676 10.690 5.086 1.00 50.00 H new ATOM 0 HB3 ARG A 17 -3.080 9.643 5.033 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -1.127 9.916 7.352 1.00 14.21 H new ATOM 0 HG3 ARG A 17 -2.760 10.548 7.290 1.00 14.21 H new ATOM 0 HD2 ARG A 17 -3.594 8.164 7.014 1.00 60.14 H new ATOM 0 HD3 ARG A 17 -1.952 7.613 7.278 1.00 60.14 H new ATOM 0 HE ARG A 17 -2.901 9.394 9.395 1.00 35.22 H new ATOM 0 HH11 ARG A 17 -2.656 6.101 8.261 1.00 70.32 H new ATOM 0 HH12 ARG A 17 -2.998 5.423 9.856 1.00 70.32 H new ATOM 0 HH21 ARG A 17 -3.352 8.530 11.373 1.00 10.43 H new ATOM 0 HH22 ARG A 17 -3.386 6.777 11.591 1.00 10.43 H new ATOM 291 N GLY A 18 -0.169 9.257 2.717 1.00 31.05 N ATOM 292 CA GLY A 18 -0.079 9.430 1.270 1.00 52.23 C ATOM 293 C GLY A 18 0.210 8.136 0.511 1.00 0.43 C ATOM 294 O GLY A 18 0.371 8.150 -0.709 1.00 13.43 O ATOM 0 H GLY A 18 0.641 9.600 3.233 1.00 31.05 H new ATOM 0 HA2 GLY A 18 -1.015 9.853 0.905 1.00 52.23 H new ATOM 0 HA3 GLY A 18 0.706 10.153 1.048 1.00 52.23 H new ATOM 298 N THR A 19 0.279 7.018 1.225 1.00 73.54 N ATOM 299 CA THR A 19 0.470 5.704 0.596 1.00 12.01 C ATOM 300 C THR A 19 -0.851 5.137 0.054 1.00 14.34 C ATOM 301 O THR A 19 -0.852 4.282 -0.833 1.00 0.02 O ATOM 302 CB THR A 19 1.084 4.687 1.588 1.00 13.41 C ATOM 303 OG1 THR A 19 0.242 4.561 2.743 1.00 20.13 O ATOM 304 CG2 THR A 19 2.484 5.114 2.019 1.00 14.43 C ATOM 0 H THR A 19 0.206 6.989 2.242 1.00 73.54 H new ATOM 0 HA THR A 19 1.158 5.857 -0.235 1.00 12.01 H new ATOM 0 HB THR A 19 1.159 3.725 1.082 1.00 13.41 H new ATOM 0 HG1 THR A 19 0.449 5.278 3.378 1.00 20.13 H new ATOM 0 HG21 THR A 19 2.890 4.380 2.716 1.00 14.43 H new ATOM 0 HG22 THR A 19 3.130 5.179 1.144 1.00 14.43 H new ATOM 0 HG23 THR A 19 2.434 6.088 2.506 1.00 14.43 H new ATOM 312 N ALA A 20 -1.976 5.631 0.581 1.00 20.42 N ATOM 313 CA ALA A 20 -3.307 5.172 0.154 1.00 72.15 C ATOM 314 C ALA A 20 -3.529 5.316 -1.373 1.00 52.00 C ATOM 315 O ALA A 20 -3.924 4.348 -2.033 1.00 35.10 O ATOM 316 CB ALA A 20 -4.400 5.900 0.940 1.00 35.25 C ATOM 0 H ALA A 20 -1.994 6.349 1.305 1.00 20.42 H new ATOM 0 HA ALA A 20 -3.364 4.106 0.374 1.00 72.15 H new ATOM 0 HB1 ALA A 20 -5.379 5.549 0.612 1.00 35.25 H new ATOM 0 HB2 ALA A 20 -4.279 5.697 2.004 1.00 35.25 H new ATOM 0 HB3 ALA A 20 -4.321 6.973 0.764 1.00 35.25 H new ATOM 322 N PRO A 21 -3.279 6.512 -1.973 1.00 71.20 N ATOM 323 CA PRO A 21 -3.441 6.712 -3.427 1.00 43.13 C ATOM 324 C PRO A 21 -2.589 5.739 -4.261 1.00 44.24 C ATOM 325 O PRO A 21 -2.934 5.418 -5.398 1.00 54.11 O ATOM 326 CB PRO A 21 -2.993 8.170 -3.655 1.00 1.04 C ATOM 327 CG PRO A 21 -2.219 8.535 -2.433 1.00 42.33 C ATOM 328 CD PRO A 21 -2.839 7.752 -1.308 1.00 3.11 C ATOM 0 HA PRO A 21 -4.466 6.521 -3.744 1.00 43.13 H new ATOM 0 HB2 PRO A 21 -2.379 8.258 -4.551 1.00 1.04 H new ATOM 0 HB3 PRO A 21 -3.850 8.829 -3.790 1.00 1.04 H new ATOM 0 HG2 PRO A 21 -1.164 8.285 -2.549 1.00 42.33 H new ATOM 0 HG3 PRO A 21 -2.274 9.607 -2.241 1.00 42.33 H new ATOM 0 HD2 PRO A 21 -2.122 7.551 -0.512 1.00 3.11 H new ATOM 0 HD3 PRO A 21 -3.675 8.287 -0.856 1.00 3.11 H new ATOM 336 N ILE A 22 -1.484 5.258 -3.686 1.00 14.03 N ATOM 337 CA ILE A 22 -0.625 4.276 -4.359 1.00 32.52 C ATOM 338 C ILE A 22 -1.336 2.918 -4.470 1.00 41.51 C ATOM 339 O ILE A 22 -1.359 2.296 -5.536 1.00 53.15 O ATOM 340 CB ILE A 22 0.719 4.098 -3.614 1.00 33.11 C ATOM 341 CG1 ILE A 22 1.434 5.454 -3.476 1.00 42.31 C ATOM 342 CG2 ILE A 22 1.609 3.089 -4.341 1.00 71.32 C ATOM 343 CD1 ILE A 22 2.730 5.385 -2.700 1.00 12.51 C ATOM 0 H ILE A 22 -1.162 5.531 -2.757 1.00 14.03 H new ATOM 0 HA ILE A 22 -0.419 4.656 -5.360 1.00 32.52 H new ATOM 0 HB ILE A 22 0.514 3.711 -2.616 1.00 33.11 H new ATOM 0 HG12 ILE A 22 1.638 5.849 -4.471 1.00 42.31 H new ATOM 0 HG13 ILE A 22 0.764 6.159 -2.984 1.00 42.31 H new ATOM 0 HG21 ILE A 22 2.549 2.978 -3.801 1.00 71.32 H new ATOM 0 HG22 ILE A 22 1.102 2.125 -4.389 1.00 71.32 H new ATOM 0 HG23 ILE A 22 1.811 3.444 -5.352 1.00 71.32 H new ATOM 0 HD11 ILE A 22 3.175 6.379 -2.645 1.00 12.51 H new ATOM 0 HD12 ILE A 22 2.532 5.020 -1.692 1.00 12.51 H new ATOM 0 HD13 ILE A 22 3.419 4.706 -3.202 1.00 12.51 H new ATOM 355 N PHE A 23 -1.928 2.465 -3.366 1.00 51.53 N ATOM 356 CA PHE A 23 -2.752 1.251 -3.386 1.00 51.14 C ATOM 357 C PHE A 23 -3.888 1.394 -4.413 1.00 23.15 C ATOM 358 O PHE A 23 -4.155 0.483 -5.200 1.00 53.11 O ATOM 359 CB PHE A 23 -3.327 0.966 -1.990 1.00 10.13 C ATOM 360 CG PHE A 23 -2.283 0.611 -0.958 1.00 50.13 C ATOM 361 CD1 PHE A 23 -1.647 -0.624 -0.995 1.00 1.12 C ATOM 362 CD2 PHE A 23 -1.940 1.501 0.052 1.00 62.44 C ATOM 363 CE1 PHE A 23 -0.697 -0.961 -0.050 1.00 21.21 C ATOM 364 CE2 PHE A 23 -0.991 1.167 1.000 1.00 62.41 C ATOM 365 CZ PHE A 23 -0.369 -0.065 0.948 1.00 54.25 C ATOM 0 H PHE A 23 -1.856 2.913 -2.453 1.00 51.53 H new ATOM 0 HA PHE A 23 -2.122 0.411 -3.677 1.00 51.14 H new ATOM 0 HB2 PHE A 23 -3.877 1.843 -1.649 1.00 10.13 H new ATOM 0 HB3 PHE A 23 -4.044 0.148 -2.063 1.00 10.13 H new ATOM 0 HD1 PHE A 23 -1.899 -1.330 -1.773 1.00 1.12 H new ATOM 0 HD2 PHE A 23 -2.421 2.467 0.097 1.00 62.44 H new ATOM 0 HE1 PHE A 23 -0.211 -1.925 -0.092 1.00 21.21 H new ATOM 0 HE2 PHE A 23 -0.736 1.869 1.780 1.00 62.41 H new ATOM 0 HZ PHE A 23 0.373 -0.327 1.687 1.00 54.25 H new ATOM 375 N ILE A 24 -4.537 2.557 -4.407 1.00 44.02 N ATOM 376 CA ILE A 24 -5.595 2.870 -5.380 1.00 61.24 C ATOM 377 C ILE A 24 -5.058 2.843 -6.827 1.00 22.34 C ATOM 378 O ILE A 24 -5.718 2.337 -7.736 1.00 13.22 O ATOM 379 CB ILE A 24 -6.227 4.258 -5.085 1.00 64.21 C ATOM 380 CG1 ILE A 24 -6.805 4.288 -3.659 1.00 13.42 C ATOM 381 CG2 ILE A 24 -7.308 4.598 -6.115 1.00 44.31 C ATOM 382 CD1 ILE A 24 -7.374 5.634 -3.252 1.00 12.31 C ATOM 0 H ILE A 24 -4.351 3.304 -3.738 1.00 44.02 H new ATOM 0 HA ILE A 24 -6.361 2.101 -5.280 1.00 61.24 H new ATOM 0 HB ILE A 24 -5.445 5.014 -5.159 1.00 64.21 H new ATOM 0 HG12 ILE A 24 -7.589 3.535 -3.580 1.00 13.42 H new ATOM 0 HG13 ILE A 24 -6.022 4.008 -2.955 1.00 13.42 H new ATOM 0 HG21 ILE A 24 -7.735 5.575 -5.886 1.00 44.31 H new ATOM 0 HG22 ILE A 24 -6.867 4.619 -7.112 1.00 44.31 H new ATOM 0 HG23 ILE A 24 -8.093 3.842 -6.082 1.00 44.31 H new ATOM 0 HD11 ILE A 24 -7.761 5.573 -2.235 1.00 12.31 H new ATOM 0 HD12 ILE A 24 -6.589 6.389 -3.297 1.00 12.31 H new ATOM 0 HD13 ILE A 24 -8.181 5.908 -3.932 1.00 12.31 H new ATOM 394 N ASN A 25 -3.850 3.375 -7.021 1.00 31.44 N ATOM 395 CA ASN A 25 -3.201 3.416 -8.343 1.00 22.12 C ATOM 396 C ASN A 25 -3.095 2.016 -8.971 1.00 74.10 C ATOM 397 O ASN A 25 -3.223 1.851 -10.187 1.00 52.43 O ATOM 398 CB ASN A 25 -1.798 4.026 -8.215 1.00 42.51 C ATOM 399 CG ASN A 25 -1.081 4.138 -9.550 1.00 1.32 C ATOM 400 OD1 ASN A 25 -1.686 4.438 -10.575 1.00 52.21 O ATOM 401 ND2 ASN A 25 0.209 3.873 -9.558 1.00 10.52 N ATOM 0 H ASN A 25 -3.292 3.789 -6.274 1.00 31.44 H new ATOM 0 HA ASN A 25 -3.819 4.032 -8.996 1.00 22.12 H new ATOM 0 HB2 ASN A 25 -1.877 5.016 -7.766 1.00 42.51 H new ATOM 0 HB3 ASN A 25 -1.202 3.415 -7.537 1.00 42.51 H new ATOM 0 HD21 ASN A 25 0.733 3.914 -10.432 1.00 10.52 H new ATOM 0 HD22 ASN A 25 0.684 3.627 -8.690 1.00 10.52 H new ATOM 408 N ASN A 26 -2.860 1.011 -8.132 1.00 41.13 N ATOM 409 CA ASN A 26 -2.682 -0.367 -8.603 1.00 72.41 C ATOM 410 C ASN A 26 -4.008 -1.153 -8.638 1.00 54.20 C ATOM 411 O ASN A 26 -4.035 -2.333 -8.995 1.00 63.03 O ATOM 412 CB ASN A 26 -1.633 -1.074 -7.738 1.00 72.33 C ATOM 413 CG ASN A 26 -0.242 -0.492 -7.953 1.00 1.31 C ATOM 414 OD1 ASN A 26 0.522 -0.972 -8.784 1.00 51.54 O ATOM 415 ND2 ASN A 26 0.088 0.560 -7.229 1.00 53.33 N ATOM 0 H ASN A 26 -2.788 1.121 -7.121 1.00 41.13 H new ATOM 0 HA ASN A 26 -2.328 -0.329 -9.633 1.00 72.41 H new ATOM 0 HB2 ASN A 26 -1.907 -0.984 -6.687 1.00 72.33 H new ATOM 0 HB3 ASN A 26 -1.623 -2.138 -7.975 1.00 72.33 H new ATOM 0 HD21 ASN A 26 1.001 0.998 -7.352 1.00 53.33 H new ATOM 0 HD22 ASN A 26 -0.570 0.936 -6.546 1.00 53.33 H new ATOM 422 N GLY A 27 -5.109 -0.492 -8.277 1.00 4.04 N ATOM 423 CA GLY A 27 -6.435 -1.092 -8.434 1.00 35.24 C ATOM 424 C GLY A 27 -7.053 -1.647 -7.148 1.00 14.21 C ATOM 425 O GLY A 27 -7.978 -2.458 -7.209 1.00 73.23 O ATOM 0 H GLY A 27 -5.110 0.447 -7.879 1.00 4.04 H new ATOM 0 HA2 GLY A 27 -7.109 -0.342 -8.849 1.00 35.24 H new ATOM 0 HA3 GLY A 27 -6.368 -1.899 -9.164 1.00 35.24 H new ATOM 429 N MET A 28 -6.561 -1.228 -5.984 1.00 4.23 N ATOM 430 CA MET A 28 -7.174 -1.636 -4.713 1.00 53.45 C ATOM 431 C MET A 28 -8.569 -1.015 -4.534 1.00 44.03 C ATOM 432 O MET A 28 -8.816 0.117 -4.946 1.00 30.52 O ATOM 433 CB MET A 28 -6.277 -1.251 -3.536 1.00 21.24 C ATOM 434 CG MET A 28 -4.999 -2.070 -3.454 1.00 4.52 C ATOM 435 SD MET A 28 -5.328 -3.816 -3.151 1.00 13.33 S ATOM 436 CE MET A 28 -3.667 -4.451 -2.958 1.00 15.13 C ATOM 0 H MET A 28 -5.751 -0.615 -5.890 1.00 4.23 H new ATOM 0 HA MET A 28 -7.286 -2.720 -4.737 1.00 53.45 H new ATOM 0 HB2 MET A 28 -6.018 -0.195 -3.617 1.00 21.24 H new ATOM 0 HB3 MET A 28 -6.837 -1.372 -2.608 1.00 21.24 H new ATOM 0 HG2 MET A 28 -4.441 -1.963 -4.384 1.00 4.52 H new ATOM 0 HG3 MET A 28 -4.368 -1.677 -2.657 1.00 4.52 H new ATOM 0 HE1 MET A 28 -3.703 -5.533 -2.835 1.00 15.13 H new ATOM 0 HE2 MET A 28 -3.079 -4.205 -3.842 1.00 15.13 H new ATOM 0 HE3 MET A 28 -3.206 -4.002 -2.079 1.00 15.13 H new ATOM 446 N HIS A 29 -9.471 -1.765 -3.903 1.00 4.41 N ATOM 447 CA HIS A 29 -10.854 -1.317 -3.698 1.00 31.31 C ATOM 448 C HIS A 29 -11.193 -1.279 -2.200 1.00 25.40 C ATOM 449 O HIS A 29 -11.233 -2.317 -1.539 1.00 34.32 O ATOM 450 CB HIS A 29 -11.821 -2.249 -4.444 1.00 34.22 C ATOM 451 CG HIS A 29 -13.232 -1.745 -4.503 1.00 43.34 C ATOM 452 ND1 HIS A 29 -14.231 -2.192 -3.664 1.00 5.13 N ATOM 453 CD2 HIS A 29 -13.815 -0.828 -5.316 1.00 40.32 C ATOM 454 CE1 HIS A 29 -15.359 -1.576 -3.957 1.00 41.34 C ATOM 455 NE2 HIS A 29 -15.135 -0.743 -4.952 1.00 62.34 N ATOM 0 H HIS A 29 -9.271 -2.690 -3.522 1.00 4.41 H new ATOM 0 HA HIS A 29 -10.959 -0.308 -4.096 1.00 31.31 H new ATOM 0 HB2 HIS A 29 -11.456 -2.396 -5.461 1.00 34.22 H new ATOM 0 HB3 HIS A 29 -11.815 -3.225 -3.959 1.00 34.22 H new ATOM 0 HD2 HIS A 29 -13.330 -0.269 -6.103 1.00 40.32 H new ATOM 0 HE1 HIS A 29 -16.308 -1.729 -3.464 1.00 41.34 H new ATOM 0 HE2 HIS A 29 -15.830 -0.133 -5.382 1.00 62.34 H new ATOM 464 N CYS A 30 -11.436 -0.082 -1.673 1.00 15.11 N ATOM 465 CA CYS A 30 -11.685 0.101 -0.237 1.00 31.33 C ATOM 466 C CYS A 30 -13.011 -0.532 0.204 1.00 24.23 C ATOM 467 O CYS A 30 -14.087 -0.098 -0.204 1.00 42.53 O ATOM 468 CB CYS A 30 -11.673 1.593 0.121 1.00 45.05 C ATOM 469 SG CYS A 30 -10.081 2.409 -0.154 1.00 42.11 S ATOM 0 H CYS A 30 -11.467 0.781 -2.216 1.00 15.11 H new ATOM 0 HA CYS A 30 -10.882 -0.408 0.297 1.00 31.33 H new ATOM 0 HB2 CYS A 30 -12.436 2.102 -0.467 1.00 45.05 H new ATOM 0 HB3 CYS A 30 -11.950 1.706 1.169 1.00 45.05 H new ATOM 0 HG CYS A 30 -10.174 3.663 0.175 1.00 42.11 H new ATOM 475 N LEU A 31 -12.925 -1.563 1.033 1.00 34.33 N ATOM 476 CA LEU A 31 -14.114 -2.211 1.593 1.00 74.44 C ATOM 477 C LEU A 31 -14.592 -1.432 2.832 1.00 21.35 C ATOM 478 O LEU A 31 -13.775 -0.967 3.627 1.00 15.12 O ATOM 479 CB LEU A 31 -13.783 -3.681 1.938 1.00 4.54 C ATOM 480 CG LEU A 31 -14.981 -4.633 2.168 1.00 0.33 C ATOM 481 CD1 LEU A 31 -15.644 -4.398 3.523 1.00 32.34 C ATOM 482 CD2 LEU A 31 -16.000 -4.501 1.038 1.00 3.25 C ATOM 0 H LEU A 31 -12.042 -1.974 1.337 1.00 34.33 H new ATOM 0 HA LEU A 31 -14.923 -2.208 0.862 1.00 74.44 H new ATOM 0 HB2 LEU A 31 -13.175 -4.090 1.131 1.00 4.54 H new ATOM 0 HB3 LEU A 31 -13.167 -3.688 2.837 1.00 4.54 H new ATOM 0 HG LEU A 31 -14.592 -5.651 2.169 1.00 0.33 H new ATOM 0 HD11 LEU A 31 -16.480 -5.087 3.643 1.00 32.34 H new ATOM 0 HD12 LEU A 31 -14.917 -4.567 4.318 1.00 32.34 H new ATOM 0 HD13 LEU A 31 -16.009 -3.372 3.577 1.00 32.34 H new ATOM 0 HD21 LEU A 31 -16.834 -5.179 1.219 1.00 3.25 H new ATOM 0 HD22 LEU A 31 -16.368 -3.476 0.998 1.00 3.25 H new ATOM 0 HD23 LEU A 31 -15.526 -4.754 0.089 1.00 3.25 H new ATOM 494 N GLY A 32 -15.911 -1.279 2.977 1.00 12.44 N ATOM 495 CA GLY A 32 -16.474 -0.523 4.099 1.00 35.23 C ATOM 496 C GLY A 32 -15.911 -0.935 5.460 1.00 45.24 C ATOM 497 O GLY A 32 -15.187 -0.166 6.102 1.00 30.41 O ATOM 0 H GLY A 32 -16.605 -1.665 2.337 1.00 12.44 H new ATOM 0 HA2 GLY A 32 -16.283 0.539 3.943 1.00 35.23 H new ATOM 0 HA3 GLY A 32 -17.556 -0.654 4.108 1.00 35.23 H new ATOM 501 N CYS A 33 -16.252 -2.138 5.906 1.00 61.42 N ATOM 502 CA CYS A 33 -15.702 -2.694 7.150 1.00 4.05 C ATOM 503 C CYS A 33 -14.189 -2.944 7.019 1.00 32.50 C ATOM 504 O CYS A 33 -13.694 -3.152 5.911 1.00 62.41 O ATOM 505 CB CYS A 33 -16.431 -3.993 7.511 1.00 61.41 C ATOM 506 SG CYS A 33 -18.197 -3.775 7.845 1.00 44.11 S ATOM 0 H CYS A 33 -16.909 -2.754 5.427 1.00 61.42 H new ATOM 0 HA CYS A 33 -15.855 -1.969 7.949 1.00 4.05 H new ATOM 0 HB2 CYS A 33 -16.311 -4.705 6.694 1.00 61.41 H new ATOM 0 HB3 CYS A 33 -15.957 -4.432 8.389 1.00 61.41 H new ATOM 0 HG CYS A 33 -18.728 -4.925 8.138 1.00 44.11 H new ATOM 512 N PRO A 34 -13.440 -2.935 8.151 1.00 45.35 N ATOM 513 CA PRO A 34 -11.966 -3.050 8.155 1.00 75.25 C ATOM 514 C PRO A 34 -11.399 -3.997 7.078 1.00 5.44 C ATOM 515 O PRO A 34 -10.760 -3.540 6.131 1.00 42.11 O ATOM 516 CB PRO A 34 -11.685 -3.577 9.563 1.00 72.15 C ATOM 517 CG PRO A 34 -12.744 -2.945 10.408 1.00 15.22 C ATOM 518 CD PRO A 34 -13.970 -2.812 9.529 1.00 71.22 C ATOM 0 HA PRO A 34 -11.486 -2.101 7.918 1.00 75.25 H new ATOM 0 HB2 PRO A 34 -11.742 -4.665 9.600 1.00 72.15 H new ATOM 0 HB3 PRO A 34 -10.687 -3.299 9.901 1.00 72.15 H new ATOM 0 HG2 PRO A 34 -12.959 -3.557 11.284 1.00 15.22 H new ATOM 0 HG3 PRO A 34 -12.420 -1.970 10.772 1.00 15.22 H new ATOM 0 HD2 PRO A 34 -14.702 -3.590 9.746 1.00 71.22 H new ATOM 0 HD3 PRO A 34 -14.468 -1.854 9.681 1.00 71.22 H new ATOM 526 N SER A 35 -11.636 -5.306 7.242 1.00 51.13 N ATOM 527 CA SER A 35 -11.234 -6.341 6.262 1.00 34.03 C ATOM 528 C SER A 35 -9.850 -6.095 5.629 1.00 15.11 C ATOM 529 O SER A 35 -8.845 -6.639 6.090 1.00 35.35 O ATOM 530 CB SER A 35 -12.303 -6.484 5.172 1.00 51.14 C ATOM 531 OG SER A 35 -13.520 -6.989 5.706 1.00 24.24 O ATOM 0 H SER A 35 -12.114 -5.685 8.060 1.00 51.13 H new ATOM 0 HA SER A 35 -11.148 -7.272 6.822 1.00 34.03 H new ATOM 0 HB2 SER A 35 -12.482 -5.515 4.706 1.00 51.14 H new ATOM 0 HB3 SER A 35 -11.941 -7.152 4.390 1.00 51.14 H new ATOM 0 HG SER A 35 -14.184 -7.068 4.989 1.00 24.24 H new ATOM 537 N SER A 36 -9.801 -5.260 4.586 1.00 4.04 N ATOM 538 CA SER A 36 -8.549 -4.962 3.863 1.00 25.42 C ATOM 539 C SER A 36 -7.464 -4.398 4.793 1.00 62.52 C ATOM 540 O SER A 36 -6.269 -4.559 4.546 1.00 54.52 O ATOM 541 CB SER A 36 -8.817 -3.966 2.726 1.00 22.11 C ATOM 542 OG SER A 36 -7.620 -3.610 2.053 1.00 73.31 O ATOM 0 H SER A 36 -10.618 -4.773 4.217 1.00 4.04 H new ATOM 0 HA SER A 36 -8.183 -5.903 3.453 1.00 25.42 H new ATOM 0 HB2 SER A 36 -9.519 -4.403 2.016 1.00 22.11 H new ATOM 0 HB3 SER A 36 -9.289 -3.070 3.129 1.00 22.11 H new ATOM 0 HG SER A 36 -7.825 -2.976 1.334 1.00 73.31 H new ATOM 548 N MET A 37 -7.889 -3.744 5.869 1.00 31.20 N ATOM 549 CA MET A 37 -6.961 -3.153 6.840 1.00 44.41 C ATOM 550 C MET A 37 -6.283 -4.223 7.715 1.00 44.52 C ATOM 551 O MET A 37 -5.317 -3.933 8.424 1.00 53.02 O ATOM 552 CB MET A 37 -7.699 -2.140 7.727 1.00 51.15 C ATOM 553 CG MET A 37 -8.325 -0.967 6.968 1.00 33.10 C ATOM 554 SD MET A 37 -7.109 0.135 6.199 1.00 54.53 S ATOM 555 CE MET A 37 -6.823 -0.663 4.617 1.00 35.41 C ATOM 0 H MET A 37 -8.874 -3.607 6.096 1.00 31.20 H new ATOM 0 HA MET A 37 -6.179 -2.644 6.277 1.00 44.41 H new ATOM 0 HB2 MET A 37 -8.484 -2.661 8.276 1.00 51.15 H new ATOM 0 HB3 MET A 37 -7.001 -1.747 8.466 1.00 51.15 H new ATOM 0 HG2 MET A 37 -8.988 -1.358 6.196 1.00 33.10 H new ATOM 0 HG3 MET A 37 -8.943 -0.389 7.655 1.00 33.10 H new ATOM 0 HE1 MET A 37 -5.820 -1.090 4.601 1.00 35.41 H new ATOM 0 HE2 MET A 37 -7.557 -1.455 4.471 1.00 35.41 H new ATOM 0 HE3 MET A 37 -6.918 0.071 3.817 1.00 35.41 H new ATOM 565 N GLY A 38 -6.784 -5.459 7.660 1.00 11.23 N ATOM 566 CA GLY A 38 -6.228 -6.536 8.480 1.00 15.05 C ATOM 567 C GLY A 38 -5.443 -7.577 7.679 1.00 21.34 C ATOM 568 O GLY A 38 -4.952 -8.557 8.242 1.00 45.44 O ATOM 0 H GLY A 38 -7.564 -5.736 7.064 1.00 11.23 H new ATOM 0 HA2 GLY A 38 -5.573 -6.104 9.237 1.00 15.05 H new ATOM 0 HA3 GLY A 38 -7.040 -7.034 9.009 1.00 15.05 H new ATOM 572 N GLU A 39 -5.315 -7.372 6.369 1.00 72.32 N ATOM 573 CA GLU A 39 -4.599 -8.320 5.504 1.00 74.02 C ATOM 574 C GLU A 39 -3.372 -7.672 4.840 1.00 51.13 C ATOM 575 O GLU A 39 -3.285 -6.446 4.716 1.00 13.50 O ATOM 576 CB GLU A 39 -5.555 -8.898 4.450 1.00 40.10 C ATOM 577 CG GLU A 39 -6.200 -7.858 3.539 1.00 44.02 C ATOM 578 CD GLU A 39 -7.332 -8.439 2.701 1.00 1.14 C ATOM 579 OE1 GLU A 39 -7.051 -9.137 1.709 1.00 14.44 O ATOM 580 OE2 GLU A 39 -8.514 -8.210 3.043 1.00 33.10 O ATOM 0 H GLU A 39 -5.695 -6.561 5.880 1.00 72.32 H new ATOM 0 HA GLU A 39 -4.231 -9.134 6.128 1.00 74.02 H new ATOM 0 HB2 GLU A 39 -5.007 -9.611 3.834 1.00 40.10 H new ATOM 0 HB3 GLU A 39 -6.342 -9.454 4.959 1.00 40.10 H new ATOM 0 HG2 GLU A 39 -6.585 -7.038 4.145 1.00 44.02 H new ATOM 0 HG3 GLU A 39 -5.442 -7.438 2.878 1.00 44.02 H new ATOM 587 N SER A 40 -2.415 -8.503 4.428 1.00 43.52 N ATOM 588 CA SER A 40 -1.150 -8.015 3.864 1.00 30.22 C ATOM 589 C SER A 40 -1.302 -7.561 2.408 1.00 63.44 C ATOM 590 O SER A 40 -2.273 -7.905 1.732 1.00 72.12 O ATOM 591 CB SER A 40 -0.069 -9.100 3.946 1.00 4.13 C ATOM 592 OG SER A 40 -0.395 -10.217 3.130 1.00 23.33 O ATOM 0 H SER A 40 -2.489 -9.519 4.473 1.00 43.52 H new ATOM 0 HA SER A 40 -0.853 -7.151 4.459 1.00 30.22 H new ATOM 0 HB2 SER A 40 0.889 -8.686 3.633 1.00 4.13 H new ATOM 0 HB3 SER A 40 0.046 -9.424 4.980 1.00 4.13 H new ATOM 0 HG SER A 40 0.312 -10.891 3.201 1.00 23.33 H new ATOM 598 N ILE A 41 -0.325 -6.792 1.934 1.00 64.44 N ATOM 599 CA ILE A 41 -0.320 -6.279 0.564 1.00 4.30 C ATOM 600 C ILE A 41 -0.429 -7.407 -0.477 1.00 23.01 C ATOM 601 O ILE A 41 -1.298 -7.372 -1.349 1.00 33.43 O ATOM 602 CB ILE A 41 0.968 -5.462 0.319 1.00 41.34 C ATOM 603 CG1 ILE A 41 1.029 -4.281 1.304 1.00 42.23 C ATOM 604 CG2 ILE A 41 1.044 -4.972 -1.128 1.00 24.41 C ATOM 605 CD1 ILE A 41 2.435 -3.847 1.635 1.00 24.20 C ATOM 0 H ILE A 41 0.484 -6.507 2.486 1.00 64.44 H new ATOM 0 HA ILE A 41 -1.195 -5.640 0.447 1.00 4.30 H new ATOM 0 HB ILE A 41 1.829 -6.108 0.489 1.00 41.34 H new ATOM 0 HG12 ILE A 41 0.486 -3.436 0.880 1.00 42.23 H new ATOM 0 HG13 ILE A 41 0.517 -4.559 2.225 1.00 42.23 H new ATOM 0 HG21 ILE A 41 1.961 -4.400 -1.271 1.00 24.41 H new ATOM 0 HG22 ILE A 41 1.042 -5.828 -1.803 1.00 24.41 H new ATOM 0 HG23 ILE A 41 0.184 -4.338 -1.343 1.00 24.41 H new ATOM 0 HD11 ILE A 41 2.403 -3.011 2.334 1.00 24.20 H new ATOM 0 HD12 ILE A 41 2.975 -4.678 2.088 1.00 24.20 H new ATOM 0 HD13 ILE A 41 2.945 -3.538 0.723 1.00 24.20 H new ATOM 617 N GLU A 42 0.449 -8.407 -0.378 1.00 62.52 N ATOM 618 CA GLU A 42 0.461 -9.522 -1.337 1.00 33.41 C ATOM 619 C GLU A 42 -0.849 -10.329 -1.290 1.00 64.04 C ATOM 620 O GLU A 42 -1.352 -10.779 -2.323 1.00 72.53 O ATOM 621 CB GLU A 42 1.662 -10.446 -1.076 1.00 0.42 C ATOM 622 CG GLU A 42 1.598 -11.199 0.254 1.00 52.32 C ATOM 623 CD GLU A 42 2.828 -12.061 0.506 1.00 25.21 C ATOM 624 OE1 GLU A 42 3.196 -12.858 -0.384 1.00 73.24 O ATOM 625 OE2 GLU A 42 3.435 -11.945 1.593 1.00 25.32 O ATOM 0 H GLU A 42 1.159 -8.471 0.351 1.00 62.52 H new ATOM 0 HA GLU A 42 0.552 -9.092 -2.335 1.00 33.41 H new ATOM 0 HB2 GLU A 42 1.732 -11.170 -1.888 1.00 0.42 H new ATOM 0 HB3 GLU A 42 2.575 -9.851 -1.100 1.00 0.42 H new ATOM 0 HG2 GLU A 42 1.490 -10.481 1.067 1.00 52.32 H new ATOM 0 HG3 GLU A 42 0.709 -11.830 0.266 1.00 52.32 H new ATOM 632 N ASP A 43 -1.399 -10.493 -0.089 1.00 71.21 N ATOM 633 CA ASP A 43 -2.630 -11.257 0.110 1.00 42.23 C ATOM 634 C ASP A 43 -3.831 -10.536 -0.533 1.00 53.44 C ATOM 635 O ASP A 43 -4.590 -11.131 -1.298 1.00 61.30 O ATOM 636 CB ASP A 43 -2.854 -11.472 1.614 1.00 51.10 C ATOM 637 CG ASP A 43 -3.879 -12.549 1.914 1.00 53.14 C ATOM 638 OD1 ASP A 43 -3.861 -13.597 1.235 1.00 72.42 O ATOM 639 OD2 ASP A 43 -4.682 -12.374 2.853 1.00 11.40 O ATOM 0 H ASP A 43 -1.008 -10.103 0.769 1.00 71.21 H new ATOM 0 HA ASP A 43 -2.535 -12.228 -0.377 1.00 42.23 H new ATOM 0 HB2 ASP A 43 -1.907 -11.740 2.082 1.00 51.10 H new ATOM 0 HB3 ASP A 43 -3.178 -10.534 2.065 1.00 51.10 H new ATOM 644 N ALA A 44 -3.976 -9.245 -0.232 1.00 73.53 N ATOM 645 CA ALA A 44 -5.035 -8.418 -0.825 1.00 61.34 C ATOM 646 C ALA A 44 -4.892 -8.320 -2.355 1.00 15.13 C ATOM 647 O ALA A 44 -5.884 -8.362 -3.092 1.00 14.44 O ATOM 648 CB ALA A 44 -5.024 -7.026 -0.200 1.00 51.13 C ATOM 0 H ALA A 44 -3.373 -8.745 0.421 1.00 73.53 H new ATOM 0 HA ALA A 44 -5.991 -8.898 -0.615 1.00 61.34 H new ATOM 0 HB1 ALA A 44 -5.813 -6.420 -0.646 1.00 51.13 H new ATOM 0 HB2 ALA A 44 -5.193 -7.108 0.874 1.00 51.13 H new ATOM 0 HB3 ALA A 44 -4.058 -6.554 -0.380 1.00 51.13 H new ATOM 654 N CYS A 45 -3.651 -8.191 -2.828 1.00 62.45 N ATOM 655 CA CYS A 45 -3.376 -8.133 -4.270 1.00 34.03 C ATOM 656 C CYS A 45 -3.867 -9.397 -4.986 1.00 22.02 C ATOM 657 O CYS A 45 -4.595 -9.312 -5.973 1.00 51.54 O ATOM 658 CB CYS A 45 -1.877 -7.941 -4.532 1.00 61.24 C ATOM 659 SG CYS A 45 -1.230 -6.330 -4.023 1.00 11.31 S ATOM 0 H CYS A 45 -2.821 -8.125 -2.238 1.00 62.45 H new ATOM 0 HA CYS A 45 -3.921 -7.277 -4.668 1.00 34.03 H new ATOM 0 HB2 CYS A 45 -1.326 -8.722 -4.008 1.00 61.24 H new ATOM 0 HB3 CYS A 45 -1.686 -8.076 -5.597 1.00 61.24 H new ATOM 0 HG CYS A 45 -1.175 -6.275 -2.725 1.00 11.31 H new ATOM 665 N ALA A 46 -3.479 -10.565 -4.477 1.00 31.44 N ATOM 666 CA ALA A 46 -3.874 -11.847 -5.079 1.00 34.13 C ATOM 667 C ALA A 46 -5.403 -11.987 -5.185 1.00 24.42 C ATOM 668 O ALA A 46 -5.917 -12.547 -6.155 1.00 44.44 O ATOM 669 CB ALA A 46 -3.285 -13.006 -4.281 1.00 41.25 C ATOM 0 H ALA A 46 -2.891 -10.655 -3.648 1.00 31.44 H new ATOM 0 HA ALA A 46 -3.476 -11.872 -6.093 1.00 34.13 H new ATOM 0 HB1 ALA A 46 -3.584 -13.950 -4.736 1.00 41.25 H new ATOM 0 HB2 ALA A 46 -2.198 -12.932 -4.281 1.00 41.25 H new ATOM 0 HB3 ALA A 46 -3.652 -12.965 -3.255 1.00 41.25 H new ATOM 675 N VAL A 47 -6.121 -11.473 -4.186 1.00 53.43 N ATOM 676 CA VAL A 47 -7.592 -11.476 -4.207 1.00 41.51 C ATOM 677 C VAL A 47 -8.141 -10.650 -5.386 1.00 43.22 C ATOM 678 O VAL A 47 -9.009 -11.110 -6.133 1.00 4.20 O ATOM 679 CB VAL A 47 -8.178 -10.922 -2.882 1.00 21.15 C ATOM 680 CG1 VAL A 47 -9.703 -10.862 -2.937 1.00 14.31 C ATOM 681 CG2 VAL A 47 -7.716 -11.764 -1.694 1.00 1.34 C ATOM 0 H VAL A 47 -5.713 -11.049 -3.352 1.00 53.43 H new ATOM 0 HA VAL A 47 -7.900 -12.515 -4.327 1.00 41.51 H new ATOM 0 HB VAL A 47 -7.806 -9.906 -2.750 1.00 21.15 H new ATOM 0 HG11 VAL A 47 -10.086 -10.470 -1.995 1.00 14.31 H new ATOM 0 HG12 VAL A 47 -10.012 -10.210 -3.754 1.00 14.31 H new ATOM 0 HG13 VAL A 47 -10.101 -11.863 -3.102 1.00 14.31 H new ATOM 0 HG21 VAL A 47 -8.138 -11.358 -0.775 1.00 1.34 H new ATOM 0 HG22 VAL A 47 -8.052 -12.793 -1.825 1.00 1.34 H new ATOM 0 HG23 VAL A 47 -6.628 -11.742 -1.634 1.00 1.34 H new ATOM 691 N HIS A 48 -7.623 -9.433 -5.548 1.00 24.02 N ATOM 692 CA HIS A 48 -8.070 -8.529 -6.620 1.00 74.02 C ATOM 693 C HIS A 48 -7.377 -8.851 -7.960 1.00 14.24 C ATOM 694 O HIS A 48 -7.776 -8.346 -9.012 1.00 31.22 O ATOM 695 CB HIS A 48 -7.788 -7.073 -6.216 1.00 2.14 C ATOM 696 CG HIS A 48 -8.474 -6.049 -7.078 1.00 53.02 C ATOM 697 ND1 HIS A 48 -8.069 -5.731 -8.357 1.00 21.44 N ATOM 698 CD2 HIS A 48 -9.547 -5.259 -6.826 1.00 32.10 C ATOM 699 CE1 HIS A 48 -8.858 -4.800 -8.851 1.00 2.12 C ATOM 700 NE2 HIS A 48 -9.763 -4.493 -7.946 1.00 34.25 N ATOM 0 H HIS A 48 -6.892 -9.045 -4.952 1.00 24.02 H new ATOM 0 HA HIS A 48 -9.142 -8.671 -6.760 1.00 74.02 H new ATOM 0 HB2 HIS A 48 -8.100 -6.928 -5.182 1.00 2.14 H new ATOM 0 HB3 HIS A 48 -6.712 -6.900 -6.252 1.00 2.14 H new ATOM 0 HD1 HIS A 48 -7.279 -6.152 -8.846 1.00 21.44 H new ATOM 0 HD2 HIS A 48 -10.125 -5.236 -5.914 1.00 32.10 H new ATOM 0 HE1 HIS A 48 -8.776 -4.361 -9.835 1.00 2.12 H new ATOM 709 N GLY A 49 -6.339 -9.687 -7.910 1.00 72.43 N ATOM 710 CA GLY A 49 -5.576 -10.030 -9.108 1.00 0.34 C ATOM 711 C GLY A 49 -4.571 -8.949 -9.507 1.00 52.20 C ATOM 712 O GLY A 49 -4.408 -8.640 -10.688 1.00 10.43 O ATOM 0 H GLY A 49 -6.009 -10.137 -7.056 1.00 72.43 H new ATOM 0 HA2 GLY A 49 -5.045 -10.967 -8.938 1.00 0.34 H new ATOM 0 HA3 GLY A 49 -6.266 -10.200 -9.935 1.00 0.34 H new ATOM 716 N ILE A 50 -3.902 -8.373 -8.511 1.00 44.20 N ATOM 717 CA ILE A 50 -2.903 -7.319 -8.731 1.00 33.12 C ATOM 718 C ILE A 50 -1.474 -7.870 -8.591 1.00 43.10 C ATOM 719 O ILE A 50 -1.243 -8.841 -7.865 1.00 25.04 O ATOM 720 CB ILE A 50 -3.085 -6.166 -7.708 1.00 1.14 C ATOM 721 CG1 ILE A 50 -4.564 -5.753 -7.615 1.00 63.04 C ATOM 722 CG2 ILE A 50 -2.209 -4.967 -8.080 1.00 1.21 C ATOM 723 CD1 ILE A 50 -4.831 -4.628 -6.635 1.00 42.22 C ATOM 0 H ILE A 50 -4.033 -8.620 -7.530 1.00 44.20 H new ATOM 0 HA ILE A 50 -3.051 -6.944 -9.744 1.00 33.12 H new ATOM 0 HB ILE A 50 -2.769 -6.525 -6.729 1.00 1.14 H new ATOM 0 HG12 ILE A 50 -4.908 -5.449 -8.604 1.00 63.04 H new ATOM 0 HG13 ILE A 50 -5.155 -6.621 -7.325 1.00 63.04 H new ATOM 0 HG21 ILE A 50 -2.353 -4.171 -7.349 1.00 1.21 H new ATOM 0 HG22 ILE A 50 -1.162 -5.269 -8.086 1.00 1.21 H new ATOM 0 HG23 ILE A 50 -2.488 -4.606 -9.070 1.00 1.21 H new ATOM 0 HD11 ILE A 50 -5.896 -4.396 -6.628 1.00 42.22 H new ATOM 0 HD12 ILE A 50 -4.520 -4.934 -5.636 1.00 42.22 H new ATOM 0 HD13 ILE A 50 -4.269 -3.743 -6.935 1.00 42.22 H new ATOM 735 N ASP A 51 -0.517 -7.254 -9.282 1.00 41.32 N ATOM 736 CA ASP A 51 0.893 -7.614 -9.119 1.00 65.53 C ATOM 737 C ASP A 51 1.464 -6.938 -7.857 1.00 33.52 C ATOM 738 O ASP A 51 1.831 -5.757 -7.876 1.00 64.12 O ATOM 739 CB ASP A 51 1.702 -7.206 -10.357 1.00 52.43 C ATOM 740 CG ASP A 51 3.086 -7.845 -10.393 1.00 41.51 C ATOM 741 OD1 ASP A 51 3.874 -7.645 -9.443 1.00 1.41 O ATOM 742 OD2 ASP A 51 3.400 -8.532 -11.386 1.00 42.42 O ATOM 0 H ASP A 51 -0.689 -6.508 -9.956 1.00 41.32 H new ATOM 0 HA ASP A 51 0.967 -8.696 -9.006 1.00 65.53 H new ATOM 0 HB2 ASP A 51 1.152 -7.489 -11.255 1.00 52.43 H new ATOM 0 HB3 ASP A 51 1.807 -6.121 -10.376 1.00 52.43 H new ATOM 747 N ALA A 52 1.508 -7.688 -6.759 1.00 44.11 N ATOM 748 CA ALA A 52 1.955 -7.153 -5.469 1.00 44.12 C ATOM 749 C ALA A 52 3.395 -6.646 -5.511 1.00 43.40 C ATOM 750 O ALA A 52 3.714 -5.635 -4.890 1.00 73.31 O ATOM 751 CB ALA A 52 1.800 -8.207 -4.378 1.00 12.35 C ATOM 0 H ALA A 52 1.239 -8.672 -6.734 1.00 44.11 H new ATOM 0 HA ALA A 52 1.320 -6.296 -5.242 1.00 44.12 H new ATOM 0 HB1 ALA A 52 2.135 -7.797 -3.425 1.00 12.35 H new ATOM 0 HB2 ALA A 52 0.752 -8.498 -4.299 1.00 12.35 H new ATOM 0 HB3 ALA A 52 2.401 -9.081 -4.628 1.00 12.35 H new ATOM 757 N ASP A 53 4.262 -7.338 -6.243 1.00 34.02 N ATOM 758 CA ASP A 53 5.666 -6.947 -6.300 1.00 72.12 C ATOM 759 C ASP A 53 5.813 -5.562 -6.951 1.00 11.20 C ATOM 760 O ASP A 53 6.604 -4.739 -6.495 1.00 60.12 O ATOM 761 CB ASP A 53 6.491 -7.998 -7.050 1.00 44.20 C ATOM 762 CG ASP A 53 7.981 -7.837 -6.798 1.00 71.01 C ATOM 763 OD1 ASP A 53 8.441 -8.212 -5.702 1.00 5.41 O ATOM 764 OD2 ASP A 53 8.698 -7.331 -7.686 1.00 54.43 O ATOM 0 H ASP A 53 4.023 -8.160 -6.797 1.00 34.02 H new ATOM 0 HA ASP A 53 6.049 -6.885 -5.281 1.00 72.12 H new ATOM 0 HB2 ASP A 53 6.176 -8.995 -6.740 1.00 44.20 H new ATOM 0 HB3 ASP A 53 6.293 -7.919 -8.119 1.00 44.20 H new ATOM 769 N LYS A 54 5.026 -5.298 -7.999 1.00 54.23 N ATOM 770 CA LYS A 54 5.024 -3.978 -8.651 1.00 65.22 C ATOM 771 C LYS A 54 4.478 -2.891 -7.707 1.00 73.53 C ATOM 772 O LYS A 54 5.012 -1.778 -7.648 1.00 1.34 O ATOM 773 CB LYS A 54 4.192 -4.008 -9.943 1.00 33.54 C ATOM 774 CG LYS A 54 4.804 -4.843 -11.069 1.00 51.32 C ATOM 775 CD LYS A 54 3.942 -4.798 -12.332 1.00 3.30 C ATOM 776 CE LYS A 54 4.544 -5.608 -13.476 1.00 51.11 C ATOM 777 NZ LYS A 54 4.672 -7.050 -13.142 1.00 10.14 N ATOM 0 H LYS A 54 4.385 -5.974 -8.414 1.00 54.23 H new ATOM 0 HA LYS A 54 6.057 -3.735 -8.900 1.00 65.22 H new ATOM 0 HB2 LYS A 54 3.201 -4.400 -9.714 1.00 33.54 H new ATOM 0 HB3 LYS A 54 4.056 -2.986 -10.297 1.00 33.54 H new ATOM 0 HG2 LYS A 54 5.804 -4.473 -11.296 1.00 51.32 H new ATOM 0 HG3 LYS A 54 4.914 -5.876 -10.739 1.00 51.32 H new ATOM 0 HD2 LYS A 54 2.947 -5.181 -12.104 1.00 3.30 H new ATOM 0 HD3 LYS A 54 3.820 -3.762 -12.649 1.00 3.30 H new ATOM 0 HE2 LYS A 54 3.921 -5.497 -14.363 1.00 51.11 H new ATOM 0 HE3 LYS A 54 5.527 -5.207 -13.724 1.00 51.11 H new ATOM 0 HZ1 LYS A 54 4.857 -7.592 -14.010 1.00 10.14 H new ATOM 0 HZ2 LYS A 54 5.460 -7.184 -12.476 1.00 10.14 H new ATOM 0 HZ3 LYS A 54 3.789 -7.385 -12.706 1.00 10.14 H new ATOM 791 N LEU A 55 3.414 -3.220 -6.972 1.00 33.20 N ATOM 792 CA LEU A 55 2.814 -2.290 -6.005 1.00 23.04 C ATOM 793 C LEU A 55 3.808 -1.917 -4.895 1.00 21.11 C ATOM 794 O LEU A 55 4.014 -0.736 -4.597 1.00 52.45 O ATOM 795 CB LEU A 55 1.540 -2.913 -5.406 1.00 72.31 C ATOM 796 CG LEU A 55 0.944 -2.200 -4.175 1.00 1.45 C ATOM 797 CD1 LEU A 55 0.678 -0.723 -4.455 1.00 64.12 C ATOM 798 CD2 LEU A 55 -0.338 -2.899 -3.728 1.00 40.00 C ATOM 0 H LEU A 55 2.947 -4.125 -7.026 1.00 33.20 H new ATOM 0 HA LEU A 55 2.551 -1.372 -6.530 1.00 23.04 H new ATOM 0 HB2 LEU A 55 0.777 -2.947 -6.184 1.00 72.31 H new ATOM 0 HB3 LEU A 55 1.760 -3.944 -5.131 1.00 72.31 H new ATOM 0 HG LEU A 55 1.677 -2.255 -3.370 1.00 1.45 H new ATOM 0 HD11 LEU A 55 0.258 -0.254 -3.565 1.00 64.12 H new ATOM 0 HD12 LEU A 55 1.613 -0.229 -4.719 1.00 64.12 H new ATOM 0 HD13 LEU A 55 -0.027 -0.631 -5.281 1.00 64.12 H new ATOM 0 HD21 LEU A 55 -0.748 -2.386 -2.858 1.00 40.00 H new ATOM 0 HD22 LEU A 55 -1.066 -2.877 -4.539 1.00 40.00 H new ATOM 0 HD23 LEU A 55 -0.116 -3.934 -3.467 1.00 40.00 H new ATOM 810 N VAL A 56 4.428 -2.928 -4.293 1.00 73.25 N ATOM 811 CA VAL A 56 5.405 -2.713 -3.219 1.00 21.23 C ATOM 812 C VAL A 56 6.547 -1.782 -3.661 1.00 42.24 C ATOM 813 O VAL A 56 7.045 -0.981 -2.866 1.00 52.11 O ATOM 814 CB VAL A 56 5.979 -4.060 -2.717 1.00 14.11 C ATOM 815 CG1 VAL A 56 7.055 -3.848 -1.650 1.00 43.22 C ATOM 816 CG2 VAL A 56 4.851 -4.939 -2.180 1.00 64.54 C ATOM 0 H VAL A 56 4.274 -3.908 -4.528 1.00 73.25 H new ATOM 0 HA VAL A 56 4.877 -2.227 -2.399 1.00 21.23 H new ATOM 0 HB VAL A 56 6.451 -4.564 -3.560 1.00 14.11 H new ATOM 0 HG11 VAL A 56 7.436 -4.815 -1.320 1.00 43.22 H new ATOM 0 HG12 VAL A 56 7.872 -3.260 -2.069 1.00 43.22 H new ATOM 0 HG13 VAL A 56 6.625 -3.318 -0.800 1.00 43.22 H new ATOM 0 HG21 VAL A 56 5.263 -5.885 -1.829 1.00 64.54 H new ATOM 0 HG22 VAL A 56 4.355 -4.430 -1.354 1.00 64.54 H new ATOM 0 HG23 VAL A 56 4.129 -5.130 -2.974 1.00 64.54 H new ATOM 826 N LYS A 57 6.950 -1.874 -4.931 1.00 42.03 N ATOM 827 CA LYS A 57 7.982 -0.979 -5.478 1.00 32.15 C ATOM 828 C LYS A 57 7.575 0.491 -5.318 1.00 2.23 C ATOM 829 O LYS A 57 8.309 1.285 -4.731 1.00 30.32 O ATOM 830 CB LYS A 57 8.245 -1.277 -6.960 1.00 64.31 C ATOM 831 CG LYS A 57 8.644 -2.717 -7.241 1.00 12.22 C ATOM 832 CD LYS A 57 8.947 -2.944 -8.717 1.00 71.04 C ATOM 833 CE LYS A 57 9.097 -4.425 -9.039 1.00 31.02 C ATOM 834 NZ LYS A 57 10.051 -5.104 -8.124 1.00 33.51 N ATOM 0 H LYS A 57 6.583 -2.553 -5.598 1.00 42.03 H new ATOM 0 HA LYS A 57 8.897 -1.159 -4.914 1.00 32.15 H new ATOM 0 HB2 LYS A 57 7.348 -1.041 -7.532 1.00 64.31 H new ATOM 0 HB3 LYS A 57 9.034 -0.616 -7.318 1.00 64.31 H new ATOM 0 HG2 LYS A 57 9.521 -2.974 -6.647 1.00 12.22 H new ATOM 0 HG3 LYS A 57 7.841 -3.384 -6.928 1.00 12.22 H new ATOM 0 HD2 LYS A 57 8.147 -2.519 -9.323 1.00 71.04 H new ATOM 0 HD3 LYS A 57 9.863 -2.418 -8.986 1.00 71.04 H new ATOM 0 HE2 LYS A 57 8.123 -4.910 -8.971 1.00 31.02 H new ATOM 0 HE3 LYS A 57 9.439 -4.539 -10.068 1.00 31.02 H new ATOM 0 HZ1 LYS A 57 10.740 -5.648 -8.682 1.00 33.51 H new ATOM 0 HZ2 LYS A 57 10.551 -4.393 -7.554 1.00 33.51 H new ATOM 0 HZ3 LYS A 57 9.530 -5.748 -7.495 1.00 33.51 H new ATOM 848 N GLU A 58 6.392 0.839 -5.829 1.00 60.12 N ATOM 849 CA GLU A 58 5.879 2.211 -5.738 1.00 53.34 C ATOM 850 C GLU A 58 5.802 2.684 -4.276 1.00 54.25 C ATOM 851 O GLU A 58 6.121 3.837 -3.970 1.00 71.52 O ATOM 852 CB GLU A 58 4.498 2.312 -6.407 1.00 14.11 C ATOM 853 CG GLU A 58 4.512 2.021 -7.907 1.00 23.22 C ATOM 854 CD GLU A 58 3.180 2.304 -8.592 1.00 42.21 C ATOM 855 OE1 GLU A 58 2.156 2.433 -7.890 1.00 73.53 O ATOM 856 OE2 GLU A 58 3.156 2.402 -9.841 1.00 32.01 O ATOM 0 H GLU A 58 5.770 0.190 -6.311 1.00 60.12 H new ATOM 0 HA GLU A 58 6.575 2.864 -6.265 1.00 53.34 H new ATOM 0 HB2 GLU A 58 3.817 1.615 -5.918 1.00 14.11 H new ATOM 0 HB3 GLU A 58 4.100 3.314 -6.245 1.00 14.11 H new ATOM 0 HG2 GLU A 58 5.289 2.622 -8.379 1.00 23.22 H new ATOM 0 HG3 GLU A 58 4.778 0.976 -8.064 1.00 23.22 H new ATOM 863 N LEU A 59 5.389 1.785 -3.380 1.00 21.43 N ATOM 864 CA LEU A 59 5.353 2.076 -1.941 1.00 60.13 C ATOM 865 C LEU A 59 6.753 2.422 -1.400 1.00 42.42 C ATOM 866 O LEU A 59 6.937 3.453 -0.750 1.00 5.10 O ATOM 867 CB LEU A 59 4.776 0.876 -1.179 1.00 43.15 C ATOM 868 CG LEU A 59 3.304 0.551 -1.485 1.00 63.22 C ATOM 869 CD1 LEU A 59 2.904 -0.784 -0.860 1.00 21.32 C ATOM 870 CD2 LEU A 59 2.394 1.677 -0.993 1.00 45.30 C ATOM 0 H LEU A 59 5.074 0.846 -3.624 1.00 21.43 H new ATOM 0 HA LEU A 59 4.712 2.945 -1.789 1.00 60.13 H new ATOM 0 HB2 LEU A 59 5.380 -0.002 -1.406 1.00 43.15 H new ATOM 0 HB3 LEU A 59 4.875 1.063 -0.110 1.00 43.15 H new ATOM 0 HG LEU A 59 3.188 0.465 -2.565 1.00 63.22 H new ATOM 0 HD11 LEU A 59 1.859 -0.994 -1.089 1.00 21.32 H new ATOM 0 HD12 LEU A 59 3.531 -1.578 -1.265 1.00 21.32 H new ATOM 0 HD13 LEU A 59 3.036 -0.734 0.221 1.00 21.32 H new ATOM 0 HD21 LEU A 59 1.356 1.431 -1.218 1.00 45.30 H new ATOM 0 HD22 LEU A 59 2.514 1.797 0.084 1.00 45.30 H new ATOM 0 HD23 LEU A 59 2.663 2.607 -1.494 1.00 45.30 H new ATOM 882 N ASN A 60 7.737 1.559 -1.673 1.00 51.44 N ATOM 883 CA ASN A 60 9.124 1.818 -1.256 1.00 44.30 C ATOM 884 C ASN A 60 9.633 3.155 -1.803 1.00 30.30 C ATOM 885 O ASN A 60 10.163 3.978 -1.052 1.00 14.11 O ATOM 886 CB ASN A 60 10.064 0.690 -1.707 1.00 62.03 C ATOM 887 CG ASN A 60 9.974 -0.532 -0.816 1.00 72.14 C ATOM 888 OD1 ASN A 60 10.647 -0.620 0.203 1.00 71.44 O ATOM 889 ND2 ASN A 60 9.159 -1.488 -1.193 1.00 50.03 N ATOM 0 H ASN A 60 7.604 0.682 -2.176 1.00 51.44 H new ATOM 0 HA ASN A 60 9.122 1.862 -0.167 1.00 44.30 H new ATOM 0 HB2 ASN A 60 9.821 0.407 -2.731 1.00 62.03 H new ATOM 0 HB3 ASN A 60 11.090 1.057 -1.712 1.00 62.03 H new ATOM 0 HD21 ASN A 60 9.072 -2.335 -0.632 1.00 50.03 H new ATOM 0 HD22 ASN A 60 8.612 -1.384 -2.048 1.00 50.03 H new ATOM 896 N GLU A 61 9.459 3.368 -3.107 1.00 0.34 N ATOM 897 CA GLU A 61 9.887 4.614 -3.747 1.00 2.20 C ATOM 898 C GLU A 61 9.278 5.833 -3.046 1.00 30.01 C ATOM 899 O GLU A 61 9.961 6.822 -2.825 1.00 75.11 O ATOM 900 CB GLU A 61 9.494 4.637 -5.231 1.00 32.13 C ATOM 901 CG GLU A 61 10.092 3.504 -6.057 1.00 40.34 C ATOM 902 CD GLU A 61 9.796 3.643 -7.545 1.00 24.53 C ATOM 903 OE1 GLU A 61 8.629 3.929 -7.904 1.00 63.24 O ATOM 904 OE2 GLU A 61 10.728 3.482 -8.361 1.00 44.11 O ATOM 0 H GLU A 61 9.026 2.696 -3.741 1.00 0.34 H new ATOM 0 HA GLU A 61 10.973 4.660 -3.664 1.00 2.20 H new ATOM 0 HB2 GLU A 61 8.408 4.592 -5.308 1.00 32.13 H new ATOM 0 HB3 GLU A 61 9.805 5.588 -5.662 1.00 32.13 H new ATOM 0 HG2 GLU A 61 11.171 3.480 -5.906 1.00 40.34 H new ATOM 0 HG3 GLU A 61 9.699 2.552 -5.700 1.00 40.34 H new ATOM 911 N TYR A 62 7.996 5.746 -2.688 1.00 74.32 N ATOM 912 CA TYR A 62 7.297 6.857 -2.025 1.00 72.04 C ATOM 913 C TYR A 62 8.038 7.323 -0.762 1.00 53.44 C ATOM 914 O TYR A 62 8.200 8.520 -0.531 1.00 23.53 O ATOM 915 CB TYR A 62 5.862 6.456 -1.664 1.00 71.55 C ATOM 916 CG TYR A 62 5.063 7.582 -1.035 1.00 53.42 C ATOM 917 CD1 TYR A 62 4.503 8.583 -1.822 1.00 63.15 C ATOM 918 CD2 TYR A 62 4.877 7.650 0.343 1.00 35.11 C ATOM 919 CE1 TYR A 62 3.784 9.617 -1.256 1.00 14.51 C ATOM 920 CE2 TYR A 62 4.161 8.682 0.915 1.00 53.35 C ATOM 921 CZ TYR A 62 3.615 9.662 0.112 1.00 33.25 C ATOM 922 OH TYR A 62 2.903 10.694 0.680 1.00 41.22 O ATOM 0 H TYR A 62 7.418 4.920 -2.844 1.00 74.32 H new ATOM 0 HA TYR A 62 7.272 7.687 -2.731 1.00 72.04 H new ATOM 0 HB2 TYR A 62 5.350 6.116 -2.564 1.00 71.55 H new ATOM 0 HB3 TYR A 62 5.891 5.612 -0.975 1.00 71.55 H new ATOM 0 HD1 TYR A 62 4.633 8.551 -2.894 1.00 63.15 H new ATOM 0 HD2 TYR A 62 5.300 6.883 0.975 1.00 35.11 H new ATOM 0 HE1 TYR A 62 3.356 10.387 -1.881 1.00 14.51 H new ATOM 0 HE2 TYR A 62 4.029 8.722 1.986 1.00 53.35 H new ATOM 0 HH TYR A 62 2.714 10.483 1.618 1.00 41.22 H new ATOM 932 N PHE A 63 8.485 6.373 0.054 1.00 73.23 N ATOM 933 CA PHE A 63 9.254 6.704 1.256 1.00 22.30 C ATOM 934 C PHE A 63 10.616 7.306 0.888 1.00 14.22 C ATOM 935 O PHE A 63 11.092 8.238 1.539 1.00 45.35 O ATOM 936 CB PHE A 63 9.413 5.468 2.148 1.00 23.34 C ATOM 937 CG PHE A 63 8.117 5.061 2.804 1.00 13.31 C ATOM 938 CD1 PHE A 63 7.734 5.631 4.011 1.00 34.01 C ATOM 939 CD2 PHE A 63 7.273 4.133 2.212 1.00 41.11 C ATOM 940 CE1 PHE A 63 6.541 5.286 4.610 1.00 73.55 C ATOM 941 CE2 PHE A 63 6.077 3.781 2.812 1.00 60.43 C ATOM 942 CZ PHE A 63 5.711 4.359 4.010 1.00 63.42 C ATOM 0 H PHE A 63 8.331 5.375 -0.090 1.00 73.23 H new ATOM 0 HA PHE A 63 8.704 7.458 1.820 1.00 22.30 H new ATOM 0 HB2 PHE A 63 9.791 4.638 1.550 1.00 23.34 H new ATOM 0 HB3 PHE A 63 10.158 5.672 2.917 1.00 23.34 H new ATOM 0 HD1 PHE A 63 8.379 6.354 4.487 1.00 34.01 H new ATOM 0 HD2 PHE A 63 7.553 3.680 1.272 1.00 41.11 H new ATOM 0 HE1 PHE A 63 6.256 5.740 5.547 1.00 73.55 H new ATOM 0 HE2 PHE A 63 5.430 3.054 2.343 1.00 60.43 H new ATOM 0 HZ PHE A 63 4.777 4.087 4.478 1.00 63.42 H new ATOM 952 N GLU A 64 11.223 6.786 -0.171 1.00 22.52 N ATOM 953 CA GLU A 64 12.449 7.366 -0.721 1.00 22.20 C ATOM 954 C GLU A 64 12.183 8.766 -1.306 1.00 23.41 C ATOM 955 O GLU A 64 13.076 9.613 -1.347 1.00 61.50 O ATOM 956 CB GLU A 64 13.034 6.428 -1.783 1.00 51.01 C ATOM 957 CG GLU A 64 13.229 5.009 -1.260 1.00 74.33 C ATOM 958 CD GLU A 64 13.931 4.082 -2.240 1.00 23.21 C ATOM 959 OE1 GLU A 64 15.085 4.373 -2.625 1.00 2.34 O ATOM 960 OE2 GLU A 64 13.343 3.038 -2.600 1.00 62.10 O ATOM 0 H GLU A 64 10.888 5.962 -0.670 1.00 22.52 H new ATOM 0 HA GLU A 64 13.175 7.481 0.084 1.00 22.20 H new ATOM 0 HB2 GLU A 64 12.372 6.406 -2.649 1.00 51.01 H new ATOM 0 HB3 GLU A 64 13.992 6.822 -2.124 1.00 51.01 H new ATOM 0 HG2 GLU A 64 13.806 5.049 -0.336 1.00 74.33 H new ATOM 0 HG3 GLU A 64 12.255 4.587 -1.010 1.00 74.33 H new ATOM 967 N LYS A 65 10.942 8.999 -1.746 1.00 63.31 N ATOM 968 CA LYS A 65 10.504 10.320 -2.209 1.00 45.22 C ATOM 969 C LYS A 65 10.317 11.266 -1.015 1.00 14.01 C ATOM 970 O LYS A 65 10.590 12.457 -1.109 1.00 3.40 O ATOM 971 CB LYS A 65 9.189 10.215 -3.000 1.00 11.11 C ATOM 972 CG LYS A 65 9.280 9.352 -4.257 1.00 63.11 C ATOM 973 CD LYS A 65 10.098 10.010 -5.364 1.00 51.53 C ATOM 974 CE LYS A 65 9.421 11.266 -5.898 1.00 25.34 C ATOM 975 NZ LYS A 65 10.131 11.823 -7.076 1.00 32.32 N ATOM 0 H LYS A 65 10.217 8.283 -1.791 1.00 63.31 H new ATOM 0 HA LYS A 65 11.275 10.721 -2.867 1.00 45.22 H new ATOM 0 HB2 LYS A 65 8.418 9.806 -2.347 1.00 11.11 H new ATOM 0 HB3 LYS A 65 8.868 11.217 -3.284 1.00 11.11 H new ATOM 0 HG2 LYS A 65 9.728 8.391 -4.002 1.00 63.11 H new ATOM 0 HG3 LYS A 65 8.275 9.147 -4.626 1.00 63.11 H new ATOM 0 HD2 LYS A 65 11.087 10.264 -4.983 1.00 51.53 H new ATOM 0 HD3 LYS A 65 10.243 9.301 -6.179 1.00 51.53 H new ATOM 0 HE2 LYS A 65 8.392 11.034 -6.171 1.00 25.34 H new ATOM 0 HE3 LYS A 65 9.380 12.018 -5.110 1.00 25.34 H new ATOM 0 HZ1 LYS A 65 9.637 12.676 -7.407 1.00 32.32 H new ATOM 0 HZ2 LYS A 65 11.106 12.068 -6.810 1.00 32.32 H new ATOM 0 HZ3 LYS A 65 10.148 11.115 -7.838 1.00 32.32 H new ATOM 989 N LYS A 66 9.839 10.723 0.108 1.00 54.25 N ATOM 990 CA LYS A 66 9.752 11.482 1.362 1.00 44.24 C ATOM 991 C LYS A 66 11.129 12.040 1.759 1.00 4.15 C ATOM 992 O LYS A 66 11.244 13.175 2.219 1.00 33.50 O ATOM 993 CB LYS A 66 9.198 10.594 2.490 1.00 14.11 C ATOM 994 CG LYS A 66 7.714 10.252 2.348 1.00 72.51 C ATOM 995 CD LYS A 66 7.267 9.205 3.370 1.00 54.31 C ATOM 996 CE LYS A 66 7.549 9.630 4.812 1.00 23.12 C ATOM 997 NZ LYS A 66 6.730 10.800 5.233 1.00 50.22 N ATOM 0 H LYS A 66 9.506 9.761 0.176 1.00 54.25 H new ATOM 0 HA LYS A 66 9.071 12.319 1.205 1.00 44.24 H new ATOM 0 HB2 LYS A 66 9.771 9.667 2.522 1.00 14.11 H new ATOM 0 HB3 LYS A 66 9.353 11.098 3.444 1.00 14.11 H new ATOM 0 HG2 LYS A 66 7.120 11.157 2.473 1.00 72.51 H new ATOM 0 HG3 LYS A 66 7.522 9.881 1.341 1.00 72.51 H new ATOM 0 HD2 LYS A 66 6.199 9.021 3.252 1.00 54.31 H new ATOM 0 HD3 LYS A 66 7.777 8.264 3.167 1.00 54.31 H new ATOM 0 HE2 LYS A 66 7.349 8.792 5.480 1.00 23.12 H new ATOM 0 HE3 LYS A 66 8.606 9.875 4.915 1.00 23.12 H new ATOM 0 HZ1 LYS A 66 6.381 10.649 6.201 1.00 50.22 H new ATOM 0 HZ2 LYS A 66 7.314 11.660 5.206 1.00 50.22 H new ATOM 0 HZ3 LYS A 66 5.923 10.909 4.587 1.00 50.22 H new ATOM 1011 N GLU A 67 12.169 11.234 1.555 1.00 54.02 N ATOM 1012 CA GLU A 67 13.555 11.646 1.836 1.00 11.33 C ATOM 1013 C GLU A 67 14.047 12.722 0.843 1.00 41.45 C ATOM 1014 O GLU A 67 15.103 13.325 1.035 1.00 43.22 O ATOM 1015 CB GLU A 67 14.477 10.416 1.781 1.00 53.35 C ATOM 1016 CG GLU A 67 14.060 9.297 2.733 1.00 52.24 C ATOM 1017 CD GLU A 67 15.010 8.106 2.706 1.00 74.34 C ATOM 1018 OE1 GLU A 67 15.991 8.104 3.478 1.00 22.52 O ATOM 1019 OE2 GLU A 67 14.782 7.166 1.915 1.00 60.13 O ATOM 0 H GLU A 67 12.083 10.284 1.194 1.00 54.02 H new ATOM 0 HA GLU A 67 13.581 12.085 2.833 1.00 11.33 H new ATOM 0 HB2 GLU A 67 14.492 10.029 0.762 1.00 53.35 H new ATOM 0 HB3 GLU A 67 15.495 10.724 2.020 1.00 53.35 H new ATOM 0 HG2 GLU A 67 14.010 9.691 3.748 1.00 52.24 H new ATOM 0 HG3 GLU A 67 13.057 8.960 2.472 1.00 52.24 H new ATOM 1026 N VAL A 68 13.279 12.943 -0.224 1.00 53.20 N ATOM 1027 CA VAL A 68 13.612 13.950 -1.245 1.00 50.11 C ATOM 1028 C VAL A 68 12.766 15.230 -1.089 1.00 62.31 C ATOM 1029 O VAL A 68 13.301 16.340 -1.000 1.00 14.33 O ATOM 1030 CB VAL A 68 13.405 13.375 -2.674 1.00 62.20 C ATOM 1031 CG1 VAL A 68 13.705 14.423 -3.744 1.00 42.02 C ATOM 1032 CG2 VAL A 68 14.259 12.127 -2.885 1.00 31.41 C ATOM 0 H VAL A 68 12.414 12.436 -0.409 1.00 53.20 H new ATOM 0 HA VAL A 68 14.661 14.209 -1.101 1.00 50.11 H new ATOM 0 HB VAL A 68 12.356 13.093 -2.769 1.00 62.20 H new ATOM 0 HG11 VAL A 68 13.551 13.989 -4.732 1.00 42.02 H new ATOM 0 HG12 VAL A 68 13.039 15.276 -3.614 1.00 42.02 H new ATOM 0 HG13 VAL A 68 14.740 14.753 -3.650 1.00 42.02 H new ATOM 0 HG21 VAL A 68 14.098 11.742 -3.892 1.00 31.41 H new ATOM 0 HG22 VAL A 68 15.311 12.380 -2.758 1.00 31.41 H new ATOM 0 HG23 VAL A 68 13.978 11.366 -2.156 1.00 31.41 H new ATOM 1042 N LEU A 69 11.444 15.063 -1.062 1.00 34.13 N ATOM 1043 CA LEU A 69 10.497 16.183 -0.998 1.00 0.12 C ATOM 1044 C LEU A 69 10.416 16.817 0.404 1.00 62.34 C ATOM 1045 O LEU A 69 10.621 18.020 0.558 1.00 63.41 O ATOM 1046 CB LEU A 69 9.105 15.694 -1.423 1.00 15.23 C ATOM 1047 CG LEU A 69 9.015 15.146 -2.858 1.00 75.44 C ATOM 1048 CD1 LEU A 69 7.679 14.444 -3.083 1.00 75.05 C ATOM 1049 CD2 LEU A 69 9.219 16.267 -3.876 1.00 55.44 C ATOM 0 H LEU A 69 10.996 14.147 -1.084 1.00 34.13 H new ATOM 0 HA LEU A 69 10.859 16.955 -1.677 1.00 0.12 H new ATOM 0 HB2 LEU A 69 8.785 14.914 -0.732 1.00 15.23 H new ATOM 0 HB3 LEU A 69 8.400 16.519 -1.321 1.00 15.23 H new ATOM 0 HG LEU A 69 9.810 14.413 -2.996 1.00 75.44 H new ATOM 0 HD11 LEU A 69 7.635 14.064 -4.104 1.00 75.05 H new ATOM 0 HD12 LEU A 69 7.581 13.615 -2.382 1.00 75.05 H new ATOM 0 HD13 LEU A 69 6.865 15.151 -2.924 1.00 75.05 H new ATOM 0 HD21 LEU A 69 9.152 15.859 -4.885 1.00 55.44 H new ATOM 0 HD22 LEU A 69 8.449 17.027 -3.740 1.00 55.44 H new ATOM 0 HD23 LEU A 69 10.202 16.716 -3.731 1.00 55.44 H new ATOM 1061 N GLU A 70 10.085 16.010 1.416 1.00 10.22 N ATOM 1062 CA GLU A 70 9.895 16.510 2.790 1.00 33.44 C ATOM 1063 C GLU A 70 11.212 17.026 3.407 1.00 12.20 C ATOM 1064 O GLU A 70 11.480 18.242 3.326 1.00 38.22 O ATOM 1065 CB GLU A 70 9.313 15.404 3.683 1.00 14.22 C ATOM 1066 CG GLU A 70 8.123 14.675 3.075 1.00 30.33 C ATOM 1067 CD GLU A 70 7.524 13.651 4.027 1.00 24.33 C ATOM 1068 OE1 GLU A 70 8.293 12.905 4.670 1.00 74.41 O ATOM 1069 OE2 GLU A 70 6.285 13.568 4.131 1.00 0.41 O ATOM 0 H GLU A 70 9.942 15.005 1.314 1.00 10.22 H new ATOM 0 HA GLU A 70 9.199 17.347 2.733 1.00 33.44 H new ATOM 0 HB2 GLU A 70 10.097 14.679 3.902 1.00 14.22 H new ATOM 0 HB3 GLU A 70 9.010 15.842 4.634 1.00 14.22 H new ATOM 0 HG2 GLU A 70 7.358 15.401 2.798 1.00 30.33 H new ATOM 0 HG3 GLU A 70 8.436 14.176 2.158 1.00 30.33 H new TER 1076 GLU A 70