USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0892 (180deg=0) USER MOD Single : A 2 SER OG : rot -4:sc= 1.57 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 37:sc= 0.947 USER MOD Single : A 43 MET CE :methyl 166:sc= -0.652 (180deg=-1.22) USER MOD Single : A 45 MET CE :methyl 167:sc= -1.37 (180deg=-2.2!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.53! C(o=-2.5!,f=-10!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -118:sc= 0.148 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 160:sc= -1.63 USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= -0.0075 (180deg=-0.00935) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= 0.325 (180deg=-0.837!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.6!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.055) USER MOD Single : A 77 THR OG1 : rot -116:sc= 0.532 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.198 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.790 4.314 17.283 1.00 0.00 N ATOM 2 CA GLY A 1 26.393 5.711 17.338 1.00 0.00 C ATOM 3 C GLY A 1 26.982 6.495 16.164 1.00 0.00 C ATOM 4 O GLY A 1 27.416 5.907 15.175 1.00 0.00 O ATOM 0 H1 GLY A 1 25.942 3.712 17.267 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.350 4.146 16.423 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.363 4.083 18.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.306 5.785 17.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.727 6.151 18.278 1.00 0.00 H new ATOM 8 N SER A 2 26.980 7.812 16.313 1.00 0.00 N ATOM 9 CA SER A 2 27.509 8.683 15.278 1.00 0.00 C ATOM 10 C SER A 2 26.901 8.315 13.923 1.00 0.00 C ATOM 11 O SER A 2 27.510 7.584 13.144 1.00 0.00 O ATOM 12 CB SER A 2 29.036 8.600 15.215 1.00 0.00 C ATOM 13 OG SER A 2 29.479 7.433 14.526 1.00 0.00 O ATOM 0 H SER A 2 26.620 8.297 17.135 1.00 0.00 H new ATOM 0 HA SER A 2 27.238 9.710 15.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.427 9.486 14.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.441 8.599 16.227 1.00 0.00 H new ATOM 0 HG SER A 2 28.705 6.883 14.283 1.00 0.00 H new ATOM 19 N SER A 3 25.708 8.840 13.683 1.00 0.00 N ATOM 20 CA SER A 3 25.011 8.576 12.436 1.00 0.00 C ATOM 21 C SER A 3 24.764 9.887 11.687 1.00 0.00 C ATOM 22 O SER A 3 24.428 10.901 12.298 1.00 0.00 O ATOM 23 CB SER A 3 23.688 7.850 12.688 1.00 0.00 C ATOM 24 OG SER A 3 23.495 6.764 11.785 1.00 0.00 O ATOM 0 H SER A 3 25.207 9.447 14.331 1.00 0.00 H new ATOM 0 HA SER A 3 25.638 7.928 11.823 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.668 7.478 13.712 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.863 8.555 12.589 1.00 0.00 H new ATOM 0 HG SER A 3 22.641 6.325 11.979 1.00 0.00 H new ATOM 30 N GLY A 4 24.939 9.824 10.376 1.00 0.00 N ATOM 31 CA GLY A 4 24.738 10.994 9.537 1.00 0.00 C ATOM 32 C GLY A 4 23.309 11.041 8.994 1.00 0.00 C ATOM 33 O GLY A 4 22.536 11.931 9.345 1.00 0.00 O ATOM 0 H GLY A 4 25.218 8.981 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.942 11.897 10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.445 10.977 8.708 1.00 0.00 H new ATOM 37 N SER A 5 23.000 10.071 8.146 1.00 0.00 N ATOM 38 CA SER A 5 21.677 9.990 7.551 1.00 0.00 C ATOM 39 C SER A 5 20.860 8.895 8.238 1.00 0.00 C ATOM 40 O SER A 5 21.421 7.933 8.762 1.00 0.00 O ATOM 41 CB SER A 5 21.765 9.722 6.047 1.00 0.00 C ATOM 42 OG SER A 5 21.100 10.727 5.286 1.00 0.00 O ATOM 0 H SER A 5 23.643 9.334 7.857 1.00 0.00 H new ATOM 0 HA SER A 5 21.179 10.949 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.812 9.674 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.326 8.749 5.826 1.00 0.00 H new ATOM 0 HG SER A 5 21.313 10.612 4.336 1.00 0.00 H new ATOM 48 N SER A 6 19.548 9.076 8.214 1.00 0.00 N ATOM 49 CA SER A 6 18.648 8.115 8.828 1.00 0.00 C ATOM 50 C SER A 6 17.650 7.595 7.791 1.00 0.00 C ATOM 51 O SER A 6 16.573 8.164 7.621 1.00 0.00 O ATOM 52 CB SER A 6 17.906 8.734 10.014 1.00 0.00 C ATOM 53 OG SER A 6 18.802 9.292 10.972 1.00 0.00 O ATOM 0 H SER A 6 19.086 9.875 7.779 1.00 0.00 H new ATOM 0 HA SER A 6 19.242 7.281 9.201 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.231 9.510 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.290 7.973 10.494 1.00 0.00 H new ATOM 0 HG SER A 6 18.290 9.679 11.713 1.00 0.00 H new ATOM 59 N GLY A 7 18.044 6.520 7.124 1.00 0.00 N ATOM 60 CA GLY A 7 17.197 5.917 6.109 1.00 0.00 C ATOM 61 C GLY A 7 17.039 6.847 4.904 1.00 0.00 C ATOM 62 O GLY A 7 15.953 7.367 4.654 1.00 0.00 O ATOM 0 H GLY A 7 18.939 6.051 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.628 4.969 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.218 5.695 6.532 1.00 0.00 H new ATOM 66 N VAL A 8 18.140 7.029 4.189 1.00 0.00 N ATOM 67 CA VAL A 8 18.138 7.887 3.017 1.00 0.00 C ATOM 68 C VAL A 8 18.979 7.241 1.915 1.00 0.00 C ATOM 69 O VAL A 8 20.201 7.157 2.030 1.00 0.00 O ATOM 70 CB VAL A 8 18.621 9.289 3.393 1.00 0.00 C ATOM 71 CG1 VAL A 8 18.737 10.180 2.155 1.00 0.00 C ATOM 72 CG2 VAL A 8 17.704 9.923 4.441 1.00 0.00 C ATOM 0 H VAL A 8 19.040 6.597 4.399 1.00 0.00 H new ATOM 0 HA VAL A 8 17.126 8.000 2.629 1.00 0.00 H new ATOM 0 HB VAL A 8 19.614 9.194 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.082 11.171 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.449 9.741 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.762 10.264 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.070 10.919 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.692 9.998 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.695 9.305 5.339 1.00 0.00 H new ATOM 82 N SER A 9 18.292 6.800 0.871 1.00 0.00 N ATOM 83 CA SER A 9 18.961 6.163 -0.251 1.00 0.00 C ATOM 84 C SER A 9 18.702 6.956 -1.533 1.00 0.00 C ATOM 85 O SER A 9 19.641 7.391 -2.198 1.00 0.00 O ATOM 86 CB SER A 9 18.496 4.715 -0.419 1.00 0.00 C ATOM 87 OG SER A 9 18.997 4.130 -1.618 1.00 0.00 O ATOM 0 H SER A 9 17.279 6.871 0.779 1.00 0.00 H new ATOM 0 HA SER A 9 20.032 6.151 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.826 4.126 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 9 17.407 4.683 -0.427 1.00 0.00 H new ATOM 0 HG SER A 9 18.680 3.206 -1.688 1.00 0.00 H new ATOM 93 N SER A 10 17.424 7.121 -1.841 1.00 0.00 N ATOM 94 CA SER A 10 17.030 7.854 -3.032 1.00 0.00 C ATOM 95 C SER A 10 15.974 8.903 -2.676 1.00 0.00 C ATOM 96 O SER A 10 16.173 10.094 -2.909 1.00 0.00 O ATOM 97 CB SER A 10 16.496 6.909 -4.110 1.00 0.00 C ATOM 98 OG SER A 10 17.109 7.140 -5.375 1.00 0.00 O ATOM 0 H SER A 10 16.648 6.760 -1.286 1.00 0.00 H new ATOM 0 HA SER A 10 17.912 8.356 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.671 5.877 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.417 7.036 -4.201 1.00 0.00 H new ATOM 0 HG SER A 10 16.742 6.516 -6.035 1.00 0.00 H new ATOM 104 N GLN A 11 14.874 8.422 -2.116 1.00 0.00 N ATOM 105 CA GLN A 11 13.786 9.303 -1.725 1.00 0.00 C ATOM 106 C GLN A 11 13.350 10.166 -2.910 1.00 0.00 C ATOM 107 O GLN A 11 13.873 11.261 -3.112 1.00 0.00 O ATOM 108 CB GLN A 11 14.188 10.173 -0.532 1.00 0.00 C ATOM 109 CG GLN A 11 13.100 10.162 0.545 1.00 0.00 C ATOM 110 CD GLN A 11 13.381 11.216 1.618 1.00 0.00 C ATOM 111 OE1 GLN A 11 14.338 11.134 2.370 1.00 0.00 O ATOM 112 NE2 GLN A 11 12.495 12.208 1.646 1.00 0.00 N ATOM 0 H GLN A 11 14.712 7.433 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 11 12.940 8.689 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.125 9.809 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.364 11.196 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.129 10.353 0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.048 9.175 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.716 12.215 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.594 12.961 2.326 1.00 0.00 H new ATOM 121 N GLU A 12 12.396 9.640 -3.664 1.00 0.00 N ATOM 122 CA GLU A 12 11.883 10.348 -4.825 1.00 0.00 C ATOM 123 C GLU A 12 10.389 10.634 -4.655 1.00 0.00 C ATOM 124 O GLU A 12 9.930 11.741 -4.934 1.00 0.00 O ATOM 125 CB GLU A 12 12.147 9.560 -6.109 1.00 0.00 C ATOM 126 CG GLU A 12 11.071 8.496 -6.331 1.00 0.00 C ATOM 127 CD GLU A 12 11.377 7.658 -7.575 1.00 0.00 C ATOM 128 OE1 GLU A 12 12.149 6.687 -7.428 1.00 0.00 O ATOM 129 OE2 GLU A 12 10.831 8.008 -8.643 1.00 0.00 O ATOM 0 H GLU A 12 11.965 8.732 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 12 12.409 11.299 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.171 10.241 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.127 9.085 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.010 7.847 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.098 8.975 -6.441 1.00 0.00 H new ATOM 136 N THR A 13 9.673 9.618 -4.197 1.00 0.00 N ATOM 137 CA THR A 13 8.241 9.746 -3.987 1.00 0.00 C ATOM 138 C THR A 13 7.888 9.450 -2.528 1.00 0.00 C ATOM 139 O THR A 13 8.484 8.571 -1.907 1.00 0.00 O ATOM 140 CB THR A 13 7.532 8.826 -4.982 1.00 0.00 C ATOM 141 OG1 THR A 13 7.922 9.328 -6.258 1.00 0.00 O ATOM 142 CG2 THR A 13 6.013 9.000 -4.961 1.00 0.00 C ATOM 0 H THR A 13 10.058 8.702 -3.965 1.00 0.00 H new ATOM 0 HA THR A 13 7.904 10.766 -4.170 1.00 0.00 H new ATOM 0 HB THR A 13 7.781 7.789 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.508 8.787 -6.963 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.559 8.324 -5.686 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.634 8.772 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.761 10.029 -5.218 1.00 0.00 H new ATOM 150 N GLN A 14 6.919 10.200 -2.023 1.00 0.00 N ATOM 151 CA GLN A 14 6.480 10.029 -0.649 1.00 0.00 C ATOM 152 C GLN A 14 5.101 10.661 -0.450 1.00 0.00 C ATOM 153 O GLN A 14 4.686 11.514 -1.234 1.00 0.00 O ATOM 154 CB GLN A 14 7.498 10.616 0.330 1.00 0.00 C ATOM 155 CG GLN A 14 8.317 9.510 0.999 1.00 0.00 C ATOM 156 CD GLN A 14 7.823 9.246 2.422 1.00 0.00 C ATOM 157 OE1 GLN A 14 8.256 9.862 3.382 1.00 0.00 O ATOM 158 NE2 GLN A 14 6.893 8.298 2.504 1.00 0.00 N ATOM 0 H GLN A 14 6.426 10.927 -2.541 1.00 0.00 H new ATOM 0 HA GLN A 14 6.402 8.961 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.164 11.298 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.981 11.201 1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.248 8.595 0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.369 9.795 1.022 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.575 7.821 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.498 8.048 3.411 1.00 0.00 H new ATOM 167 N GLY A 15 4.428 10.219 0.603 1.00 0.00 N ATOM 168 CA GLY A 15 3.105 10.731 0.914 1.00 0.00 C ATOM 169 C GLY A 15 2.493 9.984 2.101 1.00 0.00 C ATOM 170 O GLY A 15 2.669 10.386 3.250 1.00 0.00 O ATOM 0 H GLY A 15 4.775 9.512 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.167 11.795 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.458 10.629 0.043 1.00 0.00 H new ATOM 174 N GLY A 16 1.787 8.909 1.782 1.00 0.00 N ATOM 175 CA GLY A 16 1.149 8.101 2.808 1.00 0.00 C ATOM 176 C GLY A 16 2.060 6.955 3.250 1.00 0.00 C ATOM 177 O GLY A 16 3.280 7.110 3.297 1.00 0.00 O ATOM 0 H GLY A 16 1.643 8.579 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.902 8.726 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.211 7.698 2.427 1.00 0.00 H new ATOM 181 N PRO A 17 1.417 5.801 3.572 1.00 0.00 N ATOM 182 CA PRO A 17 2.157 4.629 4.009 1.00 0.00 C ATOM 183 C PRO A 17 2.857 3.951 2.829 1.00 0.00 C ATOM 184 O PRO A 17 2.332 3.935 1.717 1.00 0.00 O ATOM 185 CB PRO A 17 1.123 3.738 4.678 1.00 0.00 C ATOM 186 CG PRO A 17 -0.229 4.225 4.183 1.00 0.00 C ATOM 187 CD PRO A 17 -0.025 5.581 3.528 1.00 0.00 C ATOM 0 HA PRO A 17 2.961 4.874 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.281 2.692 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.190 3.809 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.652 3.517 3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.933 4.303 5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.395 5.585 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.562 6.364 4.064 1.00 0.00 H new ATOM 195 N LEU A 18 4.032 3.408 3.112 1.00 0.00 N ATOM 196 CA LEU A 18 4.809 2.730 2.089 1.00 0.00 C ATOM 197 C LEU A 18 4.748 1.220 2.325 1.00 0.00 C ATOM 198 O LEU A 18 4.977 0.752 3.439 1.00 0.00 O ATOM 199 CB LEU A 18 6.233 3.288 2.040 1.00 0.00 C ATOM 200 CG LEU A 18 6.381 4.699 1.467 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.855 5.057 1.267 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.573 4.855 0.177 1.00 0.00 C ATOM 0 H LEU A 18 4.465 3.424 4.036 1.00 0.00 H new ATOM 0 HA LEU A 18 4.384 2.916 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.639 3.284 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.847 2.610 1.447 1.00 0.00 H new ATOM 0 HG LEU A 18 5.973 5.406 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.933 6.065 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.373 5.013 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.311 4.349 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.696 5.867 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.928 4.138 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.519 4.671 0.384 1.00 0.00 H new ATOM 214 N ALA A 19 4.438 0.498 1.257 1.00 0.00 N ATOM 215 CA ALA A 19 4.345 -0.950 1.334 1.00 0.00 C ATOM 216 C ALA A 19 5.591 -1.501 2.031 1.00 0.00 C ATOM 217 O ALA A 19 6.684 -0.961 1.873 1.00 0.00 O ATOM 218 CB ALA A 19 4.159 -1.525 -0.071 1.00 0.00 C ATOM 0 H ALA A 19 4.248 0.889 0.334 1.00 0.00 H new ATOM 0 HA ALA A 19 3.479 -1.248 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.089 -2.611 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.245 -1.125 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.010 -1.249 -0.693 1.00 0.00 H new ATOM 224 N PRO A 20 5.378 -2.598 2.806 1.00 0.00 N ATOM 225 CA PRO A 20 6.471 -3.228 3.527 1.00 0.00 C ATOM 226 C PRO A 20 7.363 -4.030 2.578 1.00 0.00 C ATOM 227 O PRO A 20 8.581 -3.852 2.566 1.00 0.00 O ATOM 228 CB PRO A 20 5.800 -4.092 4.582 1.00 0.00 C ATOM 229 CG PRO A 20 4.364 -4.277 4.118 1.00 0.00 C ATOM 230 CD PRO A 20 4.096 -3.264 3.016 1.00 0.00 C ATOM 0 HA PRO A 20 7.141 -2.504 3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.306 -5.053 4.679 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.836 -3.612 5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.209 -5.291 3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.673 -4.130 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.749 -3.752 2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.324 -2.553 3.311 1.00 0.00 H new ATOM 238 N MET A 21 6.724 -4.895 1.804 1.00 0.00 N ATOM 239 CA MET A 21 7.445 -5.725 0.854 1.00 0.00 C ATOM 240 C MET A 21 6.632 -5.923 -0.427 1.00 0.00 C ATOM 241 O MET A 21 5.536 -5.381 -0.562 1.00 0.00 O ATOM 242 CB MET A 21 7.742 -7.086 1.487 1.00 0.00 C ATOM 243 CG MET A 21 9.004 -7.706 0.884 1.00 0.00 C ATOM 244 SD MET A 21 10.136 -8.172 2.184 1.00 0.00 S ATOM 245 CE MET A 21 11.247 -9.225 1.265 1.00 0.00 C ATOM 0 H MET A 21 5.714 -5.039 1.815 1.00 0.00 H new ATOM 0 HA MET A 21 8.378 -5.224 0.596 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.867 -6.971 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.895 -7.755 1.334 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.741 -8.580 0.289 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.483 -6.995 0.211 1.00 0.00 H new ATOM 0 HE1 MET A 21 12.022 -9.605 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.690 -10.061 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.708 -8.653 0.460 1.00 0.00 H new ATOM 255 N THR A 22 7.201 -6.702 -1.336 1.00 0.00 N ATOM 256 CA THR A 22 6.543 -6.979 -2.601 1.00 0.00 C ATOM 257 C THR A 22 5.520 -8.105 -2.435 1.00 0.00 C ATOM 258 O THR A 22 5.890 -9.271 -2.310 1.00 0.00 O ATOM 259 CB THR A 22 7.624 -7.289 -3.638 1.00 0.00 C ATOM 260 OG1 THR A 22 8.486 -6.155 -3.591 1.00 0.00 O ATOM 261 CG2 THR A 22 7.082 -7.286 -5.069 1.00 0.00 C ATOM 0 H THR A 22 8.110 -7.150 -1.221 1.00 0.00 H new ATOM 0 HA THR A 22 5.976 -6.116 -2.949 1.00 0.00 H new ATOM 0 HB THR A 22 8.067 -8.261 -3.420 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.217 -6.273 -4.232 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.890 -7.512 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.301 -8.040 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.668 -6.304 -5.299 1.00 0.00 H new ATOM 269 N GLY A 23 4.254 -7.716 -2.440 1.00 0.00 N ATOM 270 CA GLY A 23 3.175 -8.677 -2.291 1.00 0.00 C ATOM 271 C GLY A 23 1.975 -8.295 -3.161 1.00 0.00 C ATOM 272 O GLY A 23 2.092 -7.452 -4.049 1.00 0.00 O ATOM 0 H GLY A 23 3.951 -6.748 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.528 -9.671 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.870 -8.727 -1.246 1.00 0.00 H new ATOM 276 N THR A 24 0.850 -8.932 -2.874 1.00 0.00 N ATOM 277 CA THR A 24 -0.370 -8.669 -3.619 1.00 0.00 C ATOM 278 C THR A 24 -1.471 -8.173 -2.681 1.00 0.00 C ATOM 279 O THR A 24 -1.581 -8.637 -1.547 1.00 0.00 O ATOM 280 CB THR A 24 -0.745 -9.944 -4.377 1.00 0.00 C ATOM 281 OG1 THR A 24 0.293 -10.092 -5.342 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.013 -9.774 -5.216 1.00 0.00 C ATOM 0 H THR A 24 0.757 -9.630 -2.136 1.00 0.00 H new ATOM 0 HA THR A 24 -0.225 -7.872 -4.348 1.00 0.00 H new ATOM 0 HB THR A 24 -0.886 -10.760 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.130 -10.897 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.235 -10.707 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.847 -9.513 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.861 -8.981 -5.948 1.00 0.00 H new ATOM 290 N ILE A 25 -2.260 -7.237 -3.188 1.00 0.00 N ATOM 291 CA ILE A 25 -3.349 -6.674 -2.409 1.00 0.00 C ATOM 292 C ILE A 25 -4.469 -7.708 -2.283 1.00 0.00 C ATOM 293 O ILE A 25 -5.067 -8.107 -3.282 1.00 0.00 O ATOM 294 CB ILE A 25 -3.806 -5.343 -3.011 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.607 -4.473 -3.392 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.766 -4.615 -2.068 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.657 -4.298 -2.205 1.00 0.00 C ATOM 0 H ILE A 25 -2.166 -6.855 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.014 -6.442 -1.398 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.355 -5.554 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.073 -4.929 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.954 -3.497 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.075 -3.673 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.643 -5.237 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.265 -4.416 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.813 -3.676 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.188 -3.820 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.292 -5.274 -1.884 1.00 0.00 H new ATOM 309 N GLU A 26 -4.720 -8.115 -1.047 1.00 0.00 N ATOM 310 CA GLU A 26 -5.758 -9.095 -0.778 1.00 0.00 C ATOM 311 C GLU A 26 -7.075 -8.395 -0.440 1.00 0.00 C ATOM 312 O GLU A 26 -8.120 -8.729 -0.997 1.00 0.00 O ATOM 313 CB GLU A 26 -5.337 -10.044 0.347 1.00 0.00 C ATOM 314 CG GLU A 26 -6.405 -11.112 0.591 1.00 0.00 C ATOM 315 CD GLU A 26 -6.449 -12.117 -0.562 1.00 0.00 C ATOM 316 OE1 GLU A 26 -5.371 -12.360 -1.145 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.561 -12.619 -0.834 1.00 0.00 O ATOM 0 H GLU A 26 -4.222 -7.784 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.908 -9.693 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.392 -10.522 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.169 -9.477 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.196 -11.634 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.380 -10.638 0.702 1.00 0.00 H new ATOM 324 N LYS A 27 -6.983 -7.437 0.470 1.00 0.00 N ATOM 325 CA LYS A 27 -8.155 -6.687 0.889 1.00 0.00 C ATOM 326 C LYS A 27 -7.803 -5.200 0.965 1.00 0.00 C ATOM 327 O LYS A 27 -6.643 -4.842 1.163 1.00 0.00 O ATOM 328 CB LYS A 27 -8.716 -7.254 2.194 1.00 0.00 C ATOM 329 CG LYS A 27 -9.702 -8.391 1.919 1.00 0.00 C ATOM 330 CD LYS A 27 -11.139 -7.869 1.860 1.00 0.00 C ATOM 331 CE LYS A 27 -11.734 -8.060 0.463 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.198 -8.258 0.547 1.00 0.00 N ATOM 0 H LYS A 27 -6.115 -7.163 0.929 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.955 -6.789 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.899 -7.619 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.215 -6.463 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.449 -8.877 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.618 -9.147 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.751 -8.393 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.157 -6.812 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.513 -7.190 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.272 -8.920 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.586 -8.386 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.402 -9.102 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.636 -7.425 0.990 1.00 0.00 H new ATOM 346 N VAL A 28 -8.826 -4.373 0.803 1.00 0.00 N ATOM 347 CA VAL A 28 -8.639 -2.933 0.851 1.00 0.00 C ATOM 348 C VAL A 28 -9.746 -2.307 1.702 1.00 0.00 C ATOM 349 O VAL A 28 -10.875 -2.152 1.240 1.00 0.00 O ATOM 350 CB VAL A 28 -8.582 -2.365 -0.568 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.676 -0.838 -0.552 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.317 -2.829 -1.294 1.00 0.00 C ATOM 0 H VAL A 28 -9.787 -4.673 0.638 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.688 -2.687 1.323 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.443 -2.748 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.633 -0.460 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.617 -0.536 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.845 -0.428 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.301 -2.411 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.438 -2.489 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.310 -3.917 -1.353 1.00 0.00 H new ATOM 362 N PHE A 29 -9.384 -1.966 2.930 1.00 0.00 N ATOM 363 CA PHE A 29 -10.333 -1.361 3.849 1.00 0.00 C ATOM 364 C PHE A 29 -10.145 0.157 3.910 1.00 0.00 C ATOM 365 O PHE A 29 -10.025 0.727 4.993 1.00 0.00 O ATOM 366 CB PHE A 29 -10.057 -1.953 5.232 1.00 0.00 C ATOM 367 CG PHE A 29 -10.079 -3.483 5.269 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.151 -4.159 4.777 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.026 -4.166 5.795 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.172 -5.579 4.812 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.047 -5.585 5.829 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.119 -6.262 5.337 1.00 0.00 C ATOM 0 H PHE A 29 -8.447 -2.097 3.310 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.352 -1.561 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.083 -1.605 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.799 -1.572 5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.986 -3.617 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.175 -3.629 6.186 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.024 -6.116 4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.211 -6.127 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.134 -7.342 5.363 1.00 0.00 H new ATOM 382 N VAL A 30 -10.127 0.767 2.734 1.00 0.00 N ATOM 383 CA VAL A 30 -9.956 2.207 2.641 1.00 0.00 C ATOM 384 C VAL A 30 -10.635 2.715 1.367 1.00 0.00 C ATOM 385 O VAL A 30 -11.243 1.939 0.631 1.00 0.00 O ATOM 386 CB VAL A 30 -8.470 2.563 2.709 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.868 2.148 4.053 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.701 1.932 1.546 1.00 0.00 C ATOM 0 H VAL A 30 -10.228 0.291 1.838 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.434 2.704 3.485 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.381 3.646 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.811 2.412 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.388 2.664 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.976 1.071 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.647 2.201 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.803 0.848 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.105 2.298 0.602 1.00 0.00 H new ATOM 398 N LYS A 31 -10.508 4.015 1.146 1.00 0.00 N ATOM 399 CA LYS A 31 -11.102 4.636 -0.026 1.00 0.00 C ATOM 400 C LYS A 31 -10.771 6.129 -0.029 1.00 0.00 C ATOM 401 O LYS A 31 -10.078 6.617 0.862 1.00 0.00 O ATOM 402 CB LYS A 31 -12.601 4.338 -0.089 1.00 0.00 C ATOM 403 CG LYS A 31 -13.307 4.807 1.184 1.00 0.00 C ATOM 404 CD LYS A 31 -14.021 6.141 0.955 1.00 0.00 C ATOM 405 CE LYS A 31 -15.386 6.158 1.646 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.064 7.455 1.423 1.00 0.00 N ATOM 0 H LYS A 31 -10.003 4.655 1.758 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.679 4.213 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.038 4.834 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.757 3.268 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.028 4.054 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.580 4.913 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.406 6.957 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.148 6.310 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.005 5.347 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.261 5.985 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.989 7.450 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.480 8.223 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.200 7.605 0.403 1.00 0.00 H new ATOM 420 N ALA A 32 -11.283 6.814 -1.042 1.00 0.00 N ATOM 421 CA ALA A 32 -11.051 8.243 -1.172 1.00 0.00 C ATOM 422 C ALA A 32 -12.053 9.000 -0.299 1.00 0.00 C ATOM 423 O ALA A 32 -13.201 8.581 -0.158 1.00 0.00 O ATOM 424 CB ALA A 32 -11.144 8.642 -2.646 1.00 0.00 C ATOM 0 H ALA A 32 -11.857 6.406 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.051 8.503 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.970 9.714 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.392 8.098 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.136 8.399 -3.027 1.00 0.00 H new ATOM 430 N GLY A 33 -11.582 10.102 0.266 1.00 0.00 N ATOM 431 CA GLY A 33 -12.422 10.922 1.123 1.00 0.00 C ATOM 432 C GLY A 33 -12.885 10.136 2.351 1.00 0.00 C ATOM 433 O GLY A 33 -13.915 10.452 2.943 1.00 0.00 O ATOM 0 H GLY A 33 -10.629 10.446 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.870 11.807 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.289 11.271 0.562 1.00 0.00 H new ATOM 437 N ASP A 34 -12.100 9.126 2.698 1.00 0.00 N ATOM 438 CA ASP A 34 -12.416 8.292 3.845 1.00 0.00 C ATOM 439 C ASP A 34 -11.698 8.839 5.081 1.00 0.00 C ATOM 440 O ASP A 34 -10.877 9.748 4.974 1.00 0.00 O ATOM 441 CB ASP A 34 -11.949 6.852 3.625 1.00 0.00 C ATOM 442 CG ASP A 34 -12.864 5.778 4.217 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.025 6.126 4.521 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.381 4.633 4.352 1.00 0.00 O ATOM 0 H ASP A 34 -11.246 8.867 2.205 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.497 8.303 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.854 6.677 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.954 6.739 4.056 1.00 0.00 H new ATOM 449 N LYS A 35 -12.034 8.261 6.225 1.00 0.00 N ATOM 450 CA LYS A 35 -11.431 8.679 7.479 1.00 0.00 C ATOM 451 C LYS A 35 -10.840 7.458 8.188 1.00 0.00 C ATOM 452 O LYS A 35 -11.515 6.443 8.350 1.00 0.00 O ATOM 453 CB LYS A 35 -12.442 9.453 8.328 1.00 0.00 C ATOM 454 CG LYS A 35 -13.016 10.639 7.551 1.00 0.00 C ATOM 455 CD LYS A 35 -11.999 11.779 7.460 1.00 0.00 C ATOM 456 CE LYS A 35 -12.702 13.134 7.352 1.00 0.00 C ATOM 457 NZ LYS A 35 -12.499 13.923 8.587 1.00 0.00 N ATOM 0 H LYS A 35 -12.716 7.507 6.310 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.609 9.370 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.250 8.788 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.961 9.809 9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.299 10.319 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.923 10.994 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.356 11.768 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.356 11.629 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.315 13.684 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.768 12.985 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.982 14.839 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.890 13.404 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.482 14.081 8.735 1.00 0.00 H new ATOM 471 N VAL A 36 -9.585 7.597 8.591 1.00 0.00 N ATOM 472 CA VAL A 36 -8.896 6.519 9.278 1.00 0.00 C ATOM 473 C VAL A 36 -8.268 7.059 10.564 1.00 0.00 C ATOM 474 O VAL A 36 -8.244 8.268 10.787 1.00 0.00 O ATOM 475 CB VAL A 36 -7.876 5.869 8.341 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.574 5.058 7.247 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.943 6.919 7.734 1.00 0.00 C ATOM 0 H VAL A 36 -9.028 8.440 8.454 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.599 5.737 9.564 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.269 5.182 8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.826 4.607 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.177 4.274 7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.217 5.715 6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.228 6.431 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.529 7.641 7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.407 7.434 8.531 1.00 0.00 H new ATOM 487 N LYS A 37 -7.773 6.136 11.376 1.00 0.00 N ATOM 488 CA LYS A 37 -7.146 6.504 12.634 1.00 0.00 C ATOM 489 C LYS A 37 -5.779 5.824 12.736 1.00 0.00 C ATOM 490 O LYS A 37 -5.646 4.642 12.424 1.00 0.00 O ATOM 491 CB LYS A 37 -8.077 6.193 13.808 1.00 0.00 C ATOM 492 CG LYS A 37 -9.158 7.266 13.950 1.00 0.00 C ATOM 493 CD LYS A 37 -9.100 7.923 15.330 1.00 0.00 C ATOM 494 CE LYS A 37 -10.031 7.213 16.315 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.298 7.962 16.464 1.00 0.00 N ATOM 0 H LYS A 37 -7.794 5.134 11.187 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.971 7.579 12.672 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.544 5.219 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.498 6.131 14.729 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.028 8.023 13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.141 6.820 13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.078 7.896 15.707 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.383 8.973 15.249 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.239 6.202 15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.541 7.119 17.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.918 7.466 17.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.096 8.918 16.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.772 8.029 15.541 1.00 0.00 H new ATOM 509 N ALA A 38 -4.799 6.600 13.173 1.00 0.00 N ATOM 510 CA ALA A 38 -3.447 6.088 13.320 1.00 0.00 C ATOM 511 C ALA A 38 -3.504 4.667 13.886 1.00 0.00 C ATOM 512 O ALA A 38 -4.036 4.449 14.973 1.00 0.00 O ATOM 513 CB ALA A 38 -2.635 7.036 14.204 1.00 0.00 C ATOM 0 H ALA A 38 -4.914 7.580 13.430 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.948 6.038 12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.621 6.652 14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.601 8.023 13.743 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.104 7.109 15.185 1.00 0.00 H new ATOM 519 N GLY A 39 -2.948 3.738 13.122 1.00 0.00 N ATOM 520 CA GLY A 39 -2.928 2.345 13.534 1.00 0.00 C ATOM 521 C GLY A 39 -4.237 1.645 13.162 1.00 0.00 C ATOM 522 O GLY A 39 -4.831 0.953 13.988 1.00 0.00 O ATOM 0 H GLY A 39 -2.508 3.923 12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.090 1.834 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.771 2.283 14.611 1.00 0.00 H new ATOM 526 N ASP A 40 -4.649 1.849 11.920 1.00 0.00 N ATOM 527 CA ASP A 40 -5.876 1.247 11.429 1.00 0.00 C ATOM 528 C ASP A 40 -5.561 0.377 10.211 1.00 0.00 C ATOM 529 O ASP A 40 -4.752 0.756 9.365 1.00 0.00 O ATOM 530 CB ASP A 40 -6.881 2.317 10.999 1.00 0.00 C ATOM 531 CG ASP A 40 -7.708 2.922 12.135 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.363 2.637 13.302 1.00 0.00 O ATOM 533 OD2 ASP A 40 -8.667 3.655 11.810 1.00 0.00 O ATOM 0 H ASP A 40 -4.154 2.424 11.238 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.305 0.652 12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.341 3.119 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.561 1.882 10.267 1.00 0.00 H new ATOM 538 N SER A 41 -6.216 -0.774 10.159 1.00 0.00 N ATOM 539 CA SER A 41 -6.016 -1.701 9.058 1.00 0.00 C ATOM 540 C SER A 41 -6.535 -1.087 7.756 1.00 0.00 C ATOM 541 O SER A 41 -7.731 -1.137 7.476 1.00 0.00 O ATOM 542 CB SER A 41 -6.711 -3.036 9.329 1.00 0.00 C ATOM 543 OG SER A 41 -8.124 -2.890 9.437 1.00 0.00 O ATOM 0 H SER A 41 -6.886 -1.086 10.862 1.00 0.00 H new ATOM 0 HA SER A 41 -4.947 -1.892 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.479 -3.735 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.320 -3.468 10.250 1.00 0.00 H new ATOM 0 HG SER A 41 -8.433 -2.216 8.796 1.00 0.00 H new ATOM 549 N LEU A 42 -5.609 -0.521 6.996 1.00 0.00 N ATOM 550 CA LEU A 42 -5.958 0.101 5.730 1.00 0.00 C ATOM 551 C LEU A 42 -6.278 -0.986 4.703 1.00 0.00 C ATOM 552 O LEU A 42 -7.414 -1.096 4.244 1.00 0.00 O ATOM 553 CB LEU A 42 -4.855 1.063 5.284 1.00 0.00 C ATOM 554 CG LEU A 42 -4.425 2.114 6.311 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.097 2.760 5.911 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.527 3.153 6.526 1.00 0.00 C ATOM 0 H LEU A 42 -4.618 -0.480 7.233 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.855 0.710 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.979 0.476 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.192 1.579 4.385 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.264 1.613 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.814 3.503 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.324 1.994 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.206 3.244 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.196 3.888 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.743 3.654 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.428 2.658 6.889 1.00 0.00 H new ATOM 568 N MET A 43 -5.256 -1.762 4.372 1.00 0.00 N ATOM 569 CA MET A 43 -5.415 -2.837 3.407 1.00 0.00 C ATOM 570 C MET A 43 -4.639 -4.082 3.841 1.00 0.00 C ATOM 571 O MET A 43 -3.936 -4.059 4.851 1.00 0.00 O ATOM 572 CB MET A 43 -4.912 -2.373 2.038 1.00 0.00 C ATOM 573 CG MET A 43 -5.659 -1.120 1.576 1.00 0.00 C ATOM 574 SD MET A 43 -4.532 0.260 1.475 1.00 0.00 S ATOM 575 CE MET A 43 -4.137 0.212 -0.265 1.00 0.00 C ATOM 0 H MET A 43 -4.315 -1.668 4.755 1.00 0.00 H new ATOM 0 HA MET A 43 -6.473 -3.093 3.347 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.843 -2.165 2.090 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.046 -3.171 1.308 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.117 -1.298 0.603 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.466 -0.891 2.272 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.647 1.142 -0.553 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.469 -0.626 -0.464 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.053 0.091 -0.843 1.00 0.00 H new ATOM 585 N VAL A 44 -4.791 -5.139 3.057 1.00 0.00 N ATOM 586 CA VAL A 44 -4.114 -6.391 3.347 1.00 0.00 C ATOM 587 C VAL A 44 -3.333 -6.842 2.111 1.00 0.00 C ATOM 588 O VAL A 44 -3.867 -6.849 1.004 1.00 0.00 O ATOM 589 CB VAL A 44 -5.125 -7.433 3.829 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.459 -8.799 4.012 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.808 -6.979 5.120 1.00 0.00 C ATOM 0 H VAL A 44 -5.374 -5.154 2.220 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.395 -6.258 4.155 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.893 -7.534 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.199 -9.522 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.042 -9.131 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.661 -8.719 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.522 -7.738 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.058 -6.835 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.332 -6.040 4.943 1.00 0.00 H new ATOM 601 N MET A 45 -2.080 -7.207 2.343 1.00 0.00 N ATOM 602 CA MET A 45 -1.220 -7.659 1.262 1.00 0.00 C ATOM 603 C MET A 45 -0.826 -9.125 1.451 1.00 0.00 C ATOM 604 O MET A 45 -1.062 -9.703 2.511 1.00 0.00 O ATOM 605 CB MET A 45 0.040 -6.793 1.217 1.00 0.00 C ATOM 606 CG MET A 45 -0.215 -5.493 0.452 1.00 0.00 C ATOM 607 SD MET A 45 1.270 -4.502 0.419 1.00 0.00 S ATOM 608 CE MET A 45 2.148 -5.303 -0.912 1.00 0.00 C ATOM 0 H MET A 45 -1.640 -7.199 3.263 1.00 0.00 H new ATOM 0 HA MET A 45 -1.768 -7.568 0.324 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.365 -6.564 2.232 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.849 -7.347 0.741 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.535 -5.717 -0.566 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.023 -4.936 0.925 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.986 -4.679 -1.222 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.521 -6.269 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.474 -5.450 -1.756 1.00 0.00 H new ATOM 618 N ILE A 46 -0.233 -9.684 0.407 1.00 0.00 N ATOM 619 CA ILE A 46 0.196 -11.072 0.444 1.00 0.00 C ATOM 620 C ILE A 46 1.593 -11.186 -0.169 1.00 0.00 C ATOM 621 O ILE A 46 1.771 -10.953 -1.364 1.00 0.00 O ATOM 622 CB ILE A 46 -0.845 -11.973 -0.225 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.218 -11.801 0.427 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.388 -13.433 -0.224 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.255 -12.458 1.809 1.00 0.00 C ATOM 0 H ILE A 46 -0.039 -9.201 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 46 0.270 -11.420 1.474 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.943 -11.668 -1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.451 -10.740 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.985 -12.242 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.146 -14.052 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.552 -13.520 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.244 -13.769 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.242 -12.321 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.046 -13.523 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.504 -11.998 2.451 1.00 0.00 H new ATOM 637 N ALA A 47 2.548 -11.544 0.676 1.00 0.00 N ATOM 638 CA ALA A 47 3.923 -11.692 0.233 1.00 0.00 C ATOM 639 C ALA A 47 4.361 -13.147 0.417 1.00 0.00 C ATOM 640 O ALA A 47 4.509 -13.882 -0.557 1.00 0.00 O ATOM 641 CB ALA A 47 4.815 -10.713 0.999 1.00 0.00 C ATOM 0 H ALA A 47 2.396 -11.736 1.666 1.00 0.00 H new ATOM 0 HA ALA A 47 4.012 -11.453 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.847 -10.824 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.481 -9.693 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.753 -10.924 2.067 1.00 0.00 H new ATOM 647 N MET A 48 4.555 -13.518 1.674 1.00 0.00 N ATOM 648 CA MET A 48 4.973 -14.871 1.999 1.00 0.00 C ATOM 649 C MET A 48 3.782 -15.718 2.452 1.00 0.00 C ATOM 650 O MET A 48 3.759 -16.210 3.580 1.00 0.00 O ATOM 651 CB MET A 48 6.023 -14.829 3.111 1.00 0.00 C ATOM 652 CG MET A 48 7.432 -14.701 2.529 1.00 0.00 C ATOM 653 SD MET A 48 8.012 -16.297 1.977 1.00 0.00 S ATOM 654 CE MET A 48 8.769 -16.889 3.481 1.00 0.00 C ATOM 0 H MET A 48 4.430 -12.905 2.480 1.00 0.00 H new ATOM 0 HA MET A 48 5.398 -15.325 1.104 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.822 -13.988 3.775 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.956 -15.734 3.714 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.428 -13.998 1.696 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.110 -14.299 3.282 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.185 -17.882 3.312 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.565 -16.208 3.780 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.019 -16.939 4.270 1.00 0.00 H new ATOM 664 N LYS A 49 2.822 -15.863 1.551 1.00 0.00 N ATOM 665 CA LYS A 49 1.631 -16.642 1.845 1.00 0.00 C ATOM 666 C LYS A 49 1.079 -16.227 3.210 1.00 0.00 C ATOM 667 O LYS A 49 0.405 -17.012 3.876 1.00 0.00 O ATOM 668 CB LYS A 49 1.928 -18.138 1.730 1.00 0.00 C ATOM 669 CG LYS A 49 1.373 -18.709 0.424 1.00 0.00 C ATOM 670 CD LYS A 49 -0.132 -18.967 0.534 1.00 0.00 C ATOM 671 CE LYS A 49 -0.558 -20.121 -0.375 1.00 0.00 C ATOM 672 NZ LYS A 49 -1.800 -19.776 -1.103 1.00 0.00 N ATOM 0 H LYS A 49 2.844 -15.454 0.617 1.00 0.00 H new ATOM 0 HA LYS A 49 0.851 -16.438 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.005 -18.303 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.489 -18.666 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.568 -18.014 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.888 -19.638 0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.390 -19.199 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.680 -18.065 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.237 -20.344 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.716 -21.021 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.075 -20.570 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.561 -19.585 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.637 -18.930 -1.685 1.00 0.00 H new ATOM 686 N MET A 50 1.386 -14.995 3.587 1.00 0.00 N ATOM 687 CA MET A 50 0.930 -14.466 4.862 1.00 0.00 C ATOM 688 C MET A 50 0.171 -13.152 4.670 1.00 0.00 C ATOM 689 O MET A 50 0.486 -12.374 3.770 1.00 0.00 O ATOM 690 CB MET A 50 2.132 -14.232 5.778 1.00 0.00 C ATOM 691 CG MET A 50 2.614 -15.546 6.396 1.00 0.00 C ATOM 692 SD MET A 50 1.987 -15.705 8.060 1.00 0.00 S ATOM 693 CE MET A 50 3.427 -15.196 8.984 1.00 0.00 C ATOM 0 H MET A 50 1.945 -14.347 3.032 1.00 0.00 H new ATOM 0 HA MET A 50 0.254 -15.192 5.314 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.942 -13.774 5.211 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.861 -13.532 6.568 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.278 -16.387 5.790 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.704 -15.575 6.405 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.208 -15.237 10.051 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.259 -15.864 8.759 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.695 -14.176 8.707 1.00 0.00 H new ATOM 703 N GLU A 51 -0.815 -12.944 5.530 1.00 0.00 N ATOM 704 CA GLU A 51 -1.622 -11.737 5.466 1.00 0.00 C ATOM 705 C GLU A 51 -0.949 -10.607 6.249 1.00 0.00 C ATOM 706 O GLU A 51 -0.726 -10.729 7.453 1.00 0.00 O ATOM 707 CB GLU A 51 -3.038 -11.996 5.984 1.00 0.00 C ATOM 708 CG GLU A 51 -3.666 -13.202 5.283 1.00 0.00 C ATOM 709 CD GLU A 51 -3.525 -14.466 6.134 1.00 0.00 C ATOM 710 OE1 GLU A 51 -3.841 -14.376 7.340 1.00 0.00 O ATOM 711 OE2 GLU A 51 -3.106 -15.493 5.559 1.00 0.00 O ATOM 0 H GLU A 51 -1.074 -13.591 6.275 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.703 -11.432 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.009 -12.170 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.656 -11.113 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.720 -13.006 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.187 -13.355 4.316 1.00 0.00 H new ATOM 718 N HIS A 52 -0.646 -9.534 5.535 1.00 0.00 N ATOM 719 CA HIS A 52 -0.004 -8.384 6.147 1.00 0.00 C ATOM 720 C HIS A 52 -1.031 -7.266 6.343 1.00 0.00 C ATOM 721 O HIS A 52 -1.742 -6.901 5.408 1.00 0.00 O ATOM 722 CB HIS A 52 1.209 -7.938 5.328 1.00 0.00 C ATOM 723 CG HIS A 52 1.979 -9.076 4.702 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.460 -10.147 5.434 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.346 -9.298 3.407 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.087 -10.971 4.607 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.015 -10.443 3.351 1.00 0.00 N ATOM 0 H HIS A 52 -0.833 -9.437 4.537 1.00 0.00 H new ATOM 0 HA HIS A 52 0.376 -8.657 7.131 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.874 -7.263 4.541 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.880 -7.369 5.972 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.351 -10.280 6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.129 -8.652 2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.570 -11.898 4.879 1.00 0.00 H new ATOM 735 N THR A 53 -1.075 -6.755 7.565 1.00 0.00 N ATOM 736 CA THR A 53 -2.003 -5.686 7.895 1.00 0.00 C ATOM 737 C THR A 53 -1.296 -4.331 7.841 1.00 0.00 C ATOM 738 O THR A 53 -0.594 -3.955 8.778 1.00 0.00 O ATOM 739 CB THR A 53 -2.616 -5.998 9.262 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.010 -7.364 9.162 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.928 -5.249 9.500 1.00 0.00 C ATOM 0 H THR A 53 -0.484 -7.061 8.338 1.00 0.00 H new ATOM 0 HA THR A 53 -2.811 -5.624 7.166 1.00 0.00 H new ATOM 0 HB THR A 53 -1.904 -5.741 10.046 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.416 -7.650 10.007 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.320 -5.506 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.748 -4.175 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.652 -5.531 8.736 1.00 0.00 H new ATOM 749 N ILE A 54 -1.507 -3.633 6.735 1.00 0.00 N ATOM 750 CA ILE A 54 -0.899 -2.327 6.546 1.00 0.00 C ATOM 751 C ILE A 54 -1.612 -1.304 7.433 1.00 0.00 C ATOM 752 O ILE A 54 -2.648 -0.763 7.053 1.00 0.00 O ATOM 753 CB ILE A 54 -0.885 -1.951 5.063 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.250 -2.665 4.327 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.820 -0.433 4.883 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.172 -4.073 3.902 1.00 0.00 C ATOM 0 H ILE A 54 -2.091 -3.947 5.960 1.00 0.00 H new ATOM 0 HA ILE A 54 0.146 -2.345 6.856 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.820 -2.288 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.539 -2.087 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.127 -2.723 4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.811 -0.193 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.690 0.027 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.088 -0.050 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.653 -4.558 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.437 -4.655 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.034 -4.010 3.237 1.00 0.00 H new ATOM 768 N LYS A 55 -1.027 -1.071 8.599 1.00 0.00 N ATOM 769 CA LYS A 55 -1.594 -0.123 9.544 1.00 0.00 C ATOM 770 C LYS A 55 -1.213 1.298 9.124 1.00 0.00 C ATOM 771 O LYS A 55 -0.106 1.531 8.642 1.00 0.00 O ATOM 772 CB LYS A 55 -1.175 -0.475 10.972 1.00 0.00 C ATOM 773 CG LYS A 55 -1.895 -1.734 11.460 1.00 0.00 C ATOM 774 CD LYS A 55 -3.087 -1.374 12.349 1.00 0.00 C ATOM 775 CE LYS A 55 -4.163 -2.461 12.289 1.00 0.00 C ATOM 776 NZ LYS A 55 -4.336 -3.092 13.617 1.00 0.00 N ATOM 0 H LYS A 55 -0.167 -1.522 8.911 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.683 -0.178 9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.097 -0.630 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.401 0.358 11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.238 -2.316 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.199 -2.363 12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.752 -1.245 13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.509 -0.421 12.029 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.108 -2.028 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.885 -3.216 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.069 -3.827 13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.438 -3.522 13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.623 -2.371 14.309 1.00 0.00 H new ATOM 790 N SER A 56 -2.153 2.211 9.321 1.00 0.00 N ATOM 791 CA SER A 56 -1.930 3.603 8.969 1.00 0.00 C ATOM 792 C SER A 56 -0.836 4.199 9.857 1.00 0.00 C ATOM 793 O SER A 56 -0.785 3.923 11.055 1.00 0.00 O ATOM 794 CB SER A 56 -3.219 4.417 9.097 1.00 0.00 C ATOM 795 OG SER A 56 -3.293 5.456 8.125 1.00 0.00 O ATOM 0 H SER A 56 -3.071 2.014 9.720 1.00 0.00 H new ATOM 0 HA SER A 56 -1.608 3.645 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.078 3.755 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.277 4.850 10.096 1.00 0.00 H new ATOM 0 HG SER A 56 -3.329 6.325 8.577 1.00 0.00 H new ATOM 801 N PRO A 57 0.035 5.026 9.220 1.00 0.00 N ATOM 802 CA PRO A 57 1.125 5.663 9.939 1.00 0.00 C ATOM 803 C PRO A 57 0.612 6.815 10.805 1.00 0.00 C ATOM 804 O PRO A 57 1.222 7.156 11.817 1.00 0.00 O ATOM 805 CB PRO A 57 2.096 6.117 8.861 1.00 0.00 C ATOM 806 CG PRO A 57 1.301 6.135 7.565 1.00 0.00 C ATOM 807 CD PRO A 57 0.006 5.375 7.803 1.00 0.00 C ATOM 0 HA PRO A 57 1.616 4.989 10.640 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.497 7.105 9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.945 5.438 8.789 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.092 7.160 7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.872 5.673 6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.863 5.989 7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.051 4.484 7.177 1.00 0.00 H new ATOM 815 N LYS A 58 -0.506 7.383 10.376 1.00 0.00 N ATOM 816 CA LYS A 58 -1.109 8.489 11.099 1.00 0.00 C ATOM 817 C LYS A 58 -2.550 8.681 10.621 1.00 0.00 C ATOM 818 O LYS A 58 -2.939 8.149 9.582 1.00 0.00 O ATOM 819 CB LYS A 58 -0.246 9.746 10.972 1.00 0.00 C ATOM 820 CG LYS A 58 -0.156 10.204 9.514 1.00 0.00 C ATOM 821 CD LYS A 58 0.014 11.722 9.426 1.00 0.00 C ATOM 822 CE LYS A 58 0.146 12.175 7.970 1.00 0.00 C ATOM 823 NZ LYS A 58 -1.145 12.699 7.471 1.00 0.00 N ATOM 0 H LYS A 58 -1.010 7.097 9.536 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.154 8.267 12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.668 10.544 11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.754 9.545 11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.685 9.711 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.057 9.904 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.842 12.215 9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.898 12.026 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.913 12.946 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.469 11.338 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.038 13.002 6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.868 11.953 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.438 13.511 8.052 1.00 0.00 H new ATOM 837 N ASP A 59 -3.302 9.441 11.403 1.00 0.00 N ATOM 838 CA ASP A 59 -4.692 9.710 11.072 1.00 0.00 C ATOM 839 C ASP A 59 -4.753 10.752 9.954 1.00 0.00 C ATOM 840 O ASP A 59 -3.947 11.680 9.921 1.00 0.00 O ATOM 841 CB ASP A 59 -5.447 10.267 12.280 1.00 0.00 C ATOM 842 CG ASP A 59 -4.653 11.248 13.144 1.00 0.00 C ATOM 843 OD1 ASP A 59 -4.172 12.249 12.570 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.543 10.975 14.359 1.00 0.00 O ATOM 0 H ASP A 59 -2.976 9.879 12.264 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.152 8.773 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.349 10.766 11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.767 9.433 12.905 1.00 0.00 H new ATOM 849 N GLY A 60 -5.718 10.564 9.065 1.00 0.00 N ATOM 850 CA GLY A 60 -5.895 11.477 7.949 1.00 0.00 C ATOM 851 C GLY A 60 -7.065 11.041 7.065 1.00 0.00 C ATOM 852 O GLY A 60 -7.661 9.989 7.292 1.00 0.00 O ATOM 0 H GLY A 60 -6.385 9.793 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.073 12.485 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.981 11.514 7.356 1.00 0.00 H new ATOM 856 N THR A 61 -7.360 11.872 6.075 1.00 0.00 N ATOM 857 CA THR A 61 -8.448 11.585 5.156 1.00 0.00 C ATOM 858 C THR A 61 -7.900 11.068 3.825 1.00 0.00 C ATOM 859 O THR A 61 -7.453 11.851 2.988 1.00 0.00 O ATOM 860 CB THR A 61 -9.293 12.853 5.014 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.761 13.108 6.336 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.570 12.618 4.206 1.00 0.00 C ATOM 0 H THR A 61 -6.864 12.744 5.890 1.00 0.00 H new ATOM 0 HA THR A 61 -9.089 10.790 5.538 1.00 0.00 H new ATOM 0 HB THR A 61 -8.700 13.633 4.536 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.034 14.046 6.411 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.132 13.549 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.309 12.275 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.180 11.862 4.701 1.00 0.00 H new ATOM 870 N VAL A 62 -7.951 9.753 3.671 1.00 0.00 N ATOM 871 CA VAL A 62 -7.465 9.122 2.456 1.00 0.00 C ATOM 872 C VAL A 62 -7.928 9.934 1.244 1.00 0.00 C ATOM 873 O VAL A 62 -9.120 9.978 0.940 1.00 0.00 O ATOM 874 CB VAL A 62 -7.920 7.662 2.406 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.519 7.008 1.083 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.368 6.875 3.596 1.00 0.00 C ATOM 0 H VAL A 62 -8.322 9.107 4.368 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.375 9.110 2.442 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.008 7.648 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.854 5.971 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.982 7.547 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.435 7.040 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.706 5.841 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.279 6.902 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.725 7.321 4.524 1.00 0.00 H new ATOM 886 N LYS A 63 -6.963 10.558 0.586 1.00 0.00 N ATOM 887 CA LYS A 63 -7.256 11.366 -0.585 1.00 0.00 C ATOM 888 C LYS A 63 -7.680 10.452 -1.737 1.00 0.00 C ATOM 889 O LYS A 63 -8.787 10.578 -2.260 1.00 0.00 O ATOM 890 CB LYS A 63 -6.070 12.271 -0.923 1.00 0.00 C ATOM 891 CG LYS A 63 -6.402 13.195 -2.097 1.00 0.00 C ATOM 892 CD LYS A 63 -5.298 14.233 -2.306 1.00 0.00 C ATOM 893 CE LYS A 63 -4.966 14.389 -3.792 1.00 0.00 C ATOM 894 NZ LYS A 63 -3.724 13.657 -4.125 1.00 0.00 N ATOM 0 H LYS A 63 -5.976 10.520 0.842 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.092 12.037 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.803 12.867 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.201 11.661 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.528 12.605 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.350 13.700 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.614 15.193 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.404 13.933 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.791 14.012 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.849 15.445 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.801 13.261 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.915 14.309 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.582 12.885 -3.442 1.00 0.00 H new ATOM 908 N LYS A 64 -6.778 9.552 -2.099 1.00 0.00 N ATOM 909 CA LYS A 64 -7.044 8.617 -3.179 1.00 0.00 C ATOM 910 C LYS A 64 -6.098 7.421 -3.058 1.00 0.00 C ATOM 911 O LYS A 64 -4.943 7.577 -2.664 1.00 0.00 O ATOM 912 CB LYS A 64 -6.969 9.327 -4.532 1.00 0.00 C ATOM 913 CG LYS A 64 -6.795 8.319 -5.671 1.00 0.00 C ATOM 914 CD LYS A 64 -5.331 8.231 -6.106 1.00 0.00 C ATOM 915 CE LYS A 64 -5.160 8.698 -7.553 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.044 9.665 -7.656 1.00 0.00 N ATOM 0 H LYS A 64 -5.861 9.450 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.060 8.228 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.877 9.909 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.135 10.029 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.142 7.337 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.413 8.613 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.715 8.843 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.980 7.204 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.967 7.841 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.083 9.160 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.651 9.641 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.394 10.622 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.302 9.412 -6.973 1.00 0.00 H new ATOM 930 N VAL A 65 -6.622 6.255 -3.405 1.00 0.00 N ATOM 931 CA VAL A 65 -5.838 5.034 -3.341 1.00 0.00 C ATOM 932 C VAL A 65 -5.170 4.789 -4.695 1.00 0.00 C ATOM 933 O VAL A 65 -5.716 5.154 -5.735 1.00 0.00 O ATOM 934 CB VAL A 65 -6.721 3.868 -2.891 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.876 2.635 -2.562 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.592 4.269 -1.699 1.00 0.00 C ATOM 0 H VAL A 65 -7.580 6.130 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.044 5.129 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.382 3.610 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.528 1.821 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.318 2.329 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.179 2.875 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.210 3.423 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.955 4.566 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.233 5.104 -1.981 1.00 0.00 H new ATOM 946 N PHE A 66 -3.998 4.173 -4.639 1.00 0.00 N ATOM 947 CA PHE A 66 -3.250 3.876 -5.848 1.00 0.00 C ATOM 948 C PHE A 66 -3.328 2.386 -6.189 1.00 0.00 C ATOM 949 O PHE A 66 -3.227 2.006 -7.355 1.00 0.00 O ATOM 950 CB PHE A 66 -1.791 4.249 -5.575 1.00 0.00 C ATOM 951 CG PHE A 66 -1.525 5.755 -5.566 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.940 6.525 -6.608 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.874 6.324 -4.517 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.693 7.924 -6.599 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.627 7.723 -4.509 1.00 0.00 C ATOM 956 CZ PHE A 66 -1.042 8.493 -5.550 1.00 0.00 C ATOM 0 H PHE A 66 -3.548 3.872 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.663 4.436 -6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.494 3.832 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.160 3.784 -6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.457 6.073 -7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.545 5.713 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.023 8.536 -7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.109 8.175 -3.676 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.854 9.557 -5.543 1.00 0.00 H new ATOM 966 N TYR A 67 -3.508 1.583 -5.151 1.00 0.00 N ATOM 967 CA TYR A 67 -3.601 0.144 -5.326 1.00 0.00 C ATOM 968 C TYR A 67 -4.948 -0.383 -4.828 1.00 0.00 C ATOM 969 O TYR A 67 -5.526 0.166 -3.891 1.00 0.00 O ATOM 970 CB TYR A 67 -2.484 -0.458 -4.470 1.00 0.00 C ATOM 971 CG TYR A 67 -1.081 -0.253 -5.045 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.397 0.919 -4.796 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.499 -1.242 -5.813 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.923 1.111 -5.337 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.822 -1.049 -6.354 1.00 0.00 C ATOM 976 CZ TYR A 67 1.468 0.118 -6.089 1.00 0.00 C ATOM 977 OH TYR A 67 2.715 0.299 -6.600 1.00 0.00 O ATOM 0 H TYR A 67 -3.592 1.902 -4.186 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.510 -0.121 -6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.525 -0.017 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.665 -1.526 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.852 1.692 -4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.034 -2.160 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.469 2.024 -5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.289 -1.814 -6.957 1.00 0.00 H new ATOM 0 HH TYR A 67 2.976 -0.493 -7.115 1.00 0.00 H new ATOM 987 N ARG A 68 -5.410 -1.441 -5.477 1.00 0.00 N ATOM 988 CA ARG A 68 -6.679 -2.049 -5.113 1.00 0.00 C ATOM 989 C ARG A 68 -6.520 -3.563 -4.968 1.00 0.00 C ATOM 990 O ARG A 68 -5.431 -4.099 -5.167 1.00 0.00 O ATOM 991 CB ARG A 68 -7.752 -1.753 -6.162 1.00 0.00 C ATOM 992 CG ARG A 68 -8.048 -0.254 -6.238 1.00 0.00 C ATOM 993 CD ARG A 68 -9.419 0.066 -5.639 1.00 0.00 C ATOM 994 NE ARG A 68 -9.360 1.343 -4.893 1.00 0.00 N ATOM 995 CZ ARG A 68 -10.438 2.049 -4.526 1.00 0.00 C ATOM 996 NH1 ARG A 68 -11.665 1.607 -4.835 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.289 3.197 -3.851 1.00 0.00 N ATOM 0 H ARG A 68 -4.928 -1.894 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.991 -1.621 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.421 -2.111 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.665 -2.295 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.276 0.300 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.016 0.074 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.165 0.132 -6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.731 -0.739 -4.974 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.441 1.708 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.778 0.733 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.486 2.144 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.355 3.533 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.110 3.735 -3.572 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.623 -4.211 -4.621 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.620 -5.654 -4.447 1.00 0.00 C ATOM 1013 C GLU A 69 -7.057 -6.338 -5.694 1.00 0.00 C ATOM 1014 O GLU A 69 -7.404 -5.972 -6.817 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.023 -6.170 -4.124 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.606 -5.449 -2.907 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.087 -5.126 -3.119 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.770 -5.973 -3.733 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.502 -4.039 -2.662 1.00 0.00 O ATOM 0 H GLU A 69 -8.524 -3.763 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.976 -5.897 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.675 -6.023 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.985 -7.242 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.489 -6.072 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.052 -4.528 -2.725 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.199 -7.319 -5.456 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.585 -8.057 -6.547 1.00 0.00 C ATOM 1028 C GLY A 70 -4.629 -7.167 -7.342 1.00 0.00 C ATOM 1029 O GLY A 70 -4.640 -7.181 -8.572 1.00 0.00 O ATOM 0 H GLY A 70 -5.914 -7.620 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.043 -8.915 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.359 -8.447 -7.208 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.824 -6.413 -6.608 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.863 -5.518 -7.229 1.00 0.00 C ATOM 1035 C ALA A 71 -1.450 -5.910 -6.792 1.00 0.00 C ATOM 1036 O ALA A 71 -1.258 -6.424 -5.691 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.205 -4.071 -6.868 1.00 0.00 C ATOM 0 H ALA A 71 -3.818 -6.404 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.907 -5.602 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.484 -3.400 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.206 -3.833 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.169 -3.948 -5.786 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.498 -5.651 -7.676 1.00 0.00 N ATOM 1044 CA GLN A 72 0.891 -5.970 -7.394 1.00 0.00 C ATOM 1045 C GLN A 72 1.646 -4.714 -6.954 1.00 0.00 C ATOM 1046 O GLN A 72 1.850 -3.797 -7.749 1.00 0.00 O ATOM 1047 CB GLN A 72 1.562 -6.615 -8.608 1.00 0.00 C ATOM 1048 CG GLN A 72 3.086 -6.567 -8.483 1.00 0.00 C ATOM 1049 CD GLN A 72 3.715 -7.890 -8.925 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.102 -8.705 -9.595 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.969 -8.057 -8.516 1.00 0.00 N ATOM 0 H GLN A 72 -0.661 -5.224 -8.588 1.00 0.00 H new ATOM 0 HA GLN A 72 0.919 -6.692 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.234 -7.650 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.252 -6.099 -9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.479 -5.752 -9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.363 -6.356 -7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.424 -7.335 -7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.476 -8.907 -8.761 1.00 0.00 H new ATOM 1060 N ALA A 73 2.039 -4.711 -5.689 1.00 0.00 N ATOM 1061 CA ALA A 73 2.767 -3.583 -5.134 1.00 0.00 C ATOM 1062 C ALA A 73 4.252 -3.936 -5.037 1.00 0.00 C ATOM 1063 O ALA A 73 4.622 -5.107 -5.120 1.00 0.00 O ATOM 1064 CB ALA A 73 2.168 -3.207 -3.777 1.00 0.00 C ATOM 0 H ALA A 73 1.867 -5.472 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 73 2.677 -2.712 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.714 -2.361 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.120 -2.936 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.243 -4.057 -3.098 1.00 0.00 H new ATOM 1070 N ASN A 74 5.064 -2.904 -4.864 1.00 0.00 N ATOM 1071 CA ASN A 74 6.501 -3.091 -4.756 1.00 0.00 C ATOM 1072 C ASN A 74 6.949 -2.750 -3.333 1.00 0.00 C ATOM 1073 O ASN A 74 6.184 -2.179 -2.557 1.00 0.00 O ATOM 1074 CB ASN A 74 7.250 -2.170 -5.721 1.00 0.00 C ATOM 1075 CG ASN A 74 7.893 -2.971 -6.855 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.241 -3.706 -7.578 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.206 -2.790 -6.968 1.00 0.00 N ATOM 0 H ASN A 74 4.754 -1.935 -4.796 1.00 0.00 H new ATOM 0 HA ASN A 74 6.726 -4.129 -5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.561 -1.434 -6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.018 -1.618 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.728 -3.282 -7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.691 -2.160 -6.329 1.00 0.00 H new ATOM 1084 N ARG A 75 8.187 -3.115 -3.034 1.00 0.00 N ATOM 1085 CA ARG A 75 8.746 -2.855 -1.718 1.00 0.00 C ATOM 1086 C ARG A 75 8.900 -1.349 -1.495 1.00 0.00 C ATOM 1087 O ARG A 75 9.725 -0.703 -2.139 1.00 0.00 O ATOM 1088 CB ARG A 75 10.110 -3.530 -1.556 1.00 0.00 C ATOM 1089 CG ARG A 75 10.775 -3.114 -0.242 1.00 0.00 C ATOM 1090 CD ARG A 75 11.736 -4.197 0.252 1.00 0.00 C ATOM 1091 NE ARG A 75 11.996 -4.021 1.698 1.00 0.00 N ATOM 1092 CZ ARG A 75 12.752 -3.041 2.212 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.328 -2.144 1.400 1.00 0.00 N ATOM 1094 NH2 ARG A 75 12.933 -2.959 3.537 1.00 0.00 N ATOM 0 H ARG A 75 8.819 -3.588 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 75 8.059 -3.267 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.989 -4.613 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.754 -3.263 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.317 -2.179 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.012 -2.928 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.311 -5.184 0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.672 -4.145 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 75 11.573 -4.687 2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.191 -2.207 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.903 -1.398 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.495 -3.643 4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.508 -2.213 3.928 1.00 0.00 H new ATOM 1108 N HIS A 76 8.093 -0.833 -0.579 1.00 0.00 N ATOM 1109 CA HIS A 76 8.129 0.584 -0.263 1.00 0.00 C ATOM 1110 C HIS A 76 7.461 1.378 -1.387 1.00 0.00 C ATOM 1111 O HIS A 76 8.125 2.128 -2.102 1.00 0.00 O ATOM 1112 CB HIS A 76 9.562 1.042 0.016 1.00 0.00 C ATOM 1113 CG HIS A 76 9.797 1.493 1.438 1.00 0.00 C ATOM 1114 ND1 HIS A 76 10.686 2.502 1.768 1.00 0.00 N ATOM 1115 CD2 HIS A 76 9.251 1.062 2.611 1.00 0.00 C ATOM 1116 CE1 HIS A 76 10.667 2.662 3.083 1.00 0.00 C ATOM 1117 NE2 HIS A 76 9.778 1.769 3.604 1.00 0.00 N ATOM 0 H HIS A 76 7.410 -1.372 -0.046 1.00 0.00 H new ATOM 0 HA HIS A 76 7.565 0.771 0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.245 0.224 -0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.809 1.861 -0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.515 0.279 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.253 3.375 3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 76 9.555 1.662 4.593 1.00 0.00 H new ATOM 1125 N THR A 77 6.156 1.187 -1.509 1.00 0.00 N ATOM 1126 CA THR A 77 5.391 1.875 -2.534 1.00 0.00 C ATOM 1127 C THR A 77 4.192 2.595 -1.912 1.00 0.00 C ATOM 1128 O THR A 77 3.719 2.211 -0.843 1.00 0.00 O ATOM 1129 CB THR A 77 4.998 0.850 -3.600 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.690 -0.325 -2.854 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.181 0.436 -4.477 1.00 0.00 C ATOM 0 H THR A 77 5.609 0.565 -0.914 1.00 0.00 H new ATOM 0 HA THR A 77 5.984 2.653 -3.014 1.00 0.00 H new ATOM 0 HB THR A 77 4.208 1.262 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.329 -1.033 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.848 -0.292 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.581 1.313 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.958 -0.008 -3.854 1.00 0.00 H new ATOM 1139 N PRO A 78 3.723 3.653 -2.626 1.00 0.00 N ATOM 1140 CA PRO A 78 2.588 4.429 -2.155 1.00 0.00 C ATOM 1141 C PRO A 78 1.279 3.666 -2.360 1.00 0.00 C ATOM 1142 O PRO A 78 0.866 3.425 -3.494 1.00 0.00 O ATOM 1143 CB PRO A 78 2.648 5.729 -2.942 1.00 0.00 C ATOM 1144 CG PRO A 78 3.530 5.446 -4.147 1.00 0.00 C ATOM 1145 CD PRO A 78 4.258 4.136 -3.896 1.00 0.00 C ATOM 0 HA PRO A 78 2.627 4.625 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.652 6.044 -3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.062 6.534 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.928 5.380 -5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.243 6.256 -4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.077 3.422 -4.699 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.336 4.286 -3.840 1.00 0.00 H new ATOM 1153 N LEU A 79 0.660 3.305 -1.245 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.594 2.574 -1.288 1.00 0.00 C ATOM 1155 C LEU A 79 -1.759 3.566 -1.261 1.00 0.00 C ATOM 1156 O LEU A 79 -2.636 3.522 -2.122 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.647 1.534 -0.167 1.00 0.00 C ATOM 1158 CG LEU A 79 0.606 0.673 0.009 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.502 -0.199 1.262 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.881 -0.158 -1.246 1.00 0.00 C ATOM 0 H LEU A 79 1.004 3.506 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.675 2.011 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.843 2.051 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.495 0.874 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 79 1.459 1.337 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.405 -0.800 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.390 0.437 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.364 -0.856 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.777 -0.761 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.032 -0.813 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.031 0.507 -2.097 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.730 4.437 -0.263 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.772 5.438 -0.112 1.00 0.00 C ATOM 1174 C VAL A 80 -2.129 6.816 0.053 1.00 0.00 C ATOM 1175 O VAL A 80 -1.018 6.929 0.568 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.693 5.064 1.051 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.633 3.921 0.660 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.883 4.705 2.298 1.00 0.00 C ATOM 0 H VAL A 80 -1.001 4.470 0.449 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.397 5.476 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.304 5.935 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.277 3.675 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.247 4.228 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.046 3.045 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.562 4.443 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.235 3.857 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.275 5.559 2.595 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.856 7.830 -0.393 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.370 9.197 -0.300 1.00 0.00 C ATOM 1190 C GLU A 81 -3.287 10.026 0.602 1.00 0.00 C ATOM 1191 O GLU A 81 -4.489 10.115 0.357 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.248 9.830 -1.687 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.765 11.279 -1.588 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.992 11.686 -2.844 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -1.611 11.647 -3.929 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.200 12.028 -2.691 1.00 0.00 O ATOM 0 H GLU A 81 -3.777 7.733 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.375 9.179 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.552 9.252 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.214 9.798 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.619 11.942 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.128 11.395 -0.711 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.684 10.611 1.626 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.431 11.430 2.566 1.00 0.00 C ATOM 1205 C PHE A 82 -3.756 12.798 1.963 1.00 0.00 C ATOM 1206 O PHE A 82 -3.037 13.283 1.092 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.541 11.626 3.795 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.541 10.437 4.759 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.674 10.113 5.438 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.409 9.706 4.936 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.674 9.010 6.333 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.408 8.603 5.831 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.541 8.279 6.510 1.00 0.00 C ATOM 0 H PHE A 82 -1.687 10.534 1.826 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.372 10.941 2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.519 11.813 3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.871 12.516 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.573 10.694 5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.510 9.964 4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.573 8.752 6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.508 8.022 5.972 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.541 7.440 7.190 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.841 13.381 2.451 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.270 14.684 1.972 1.00 0.00 C ATOM 1225 C GLU A 83 -4.312 15.772 2.460 1.00 0.00 C ATOM 1226 O GLU A 83 -3.609 15.585 3.452 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.706 14.983 2.408 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.714 14.373 1.431 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.864 15.245 0.183 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.854 15.880 -0.191 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.985 15.257 -0.370 1.00 0.00 O ATOM 0 H GLU A 83 -5.436 12.975 3.173 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.250 14.672 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.877 14.585 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.856 16.061 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.388 13.373 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.681 14.264 1.921 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.313 16.884 1.740 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.452 18.002 2.088 1.00 0.00 C ATOM 1240 C GLU A 84 -2.092 17.494 2.570 1.00 0.00 C ATOM 1241 O GLU A 84 -1.848 17.407 3.772 1.00 0.00 O ATOM 1242 CB GLU A 84 -4.110 18.893 3.143 1.00 0.00 C ATOM 1243 CG GLU A 84 -3.915 20.374 2.808 1.00 0.00 C ATOM 1244 CD GLU A 84 -5.189 20.974 2.210 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -6.172 21.093 2.973 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -5.151 21.299 1.004 1.00 0.00 O ATOM 0 H GLU A 84 -4.896 17.035 0.917 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.296 18.607 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.175 18.667 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.683 18.679 4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.640 20.921 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.091 20.486 2.103 1.00 0.00 H new ATOM 1253 N GLU A 85 -1.241 17.171 1.607 1.00 0.00 N ATOM 1254 CA GLU A 85 0.088 16.674 1.918 1.00 0.00 C ATOM 1255 C GLU A 85 0.954 17.798 2.491 1.00 0.00 C ATOM 1256 O GLU A 85 0.714 18.973 2.217 1.00 0.00 O ATOM 1257 CB GLU A 85 0.744 16.052 0.684 1.00 0.00 C ATOM 1258 CG GLU A 85 1.124 17.127 -0.336 1.00 0.00 C ATOM 1259 CD GLU A 85 2.611 17.046 -0.690 1.00 0.00 C ATOM 1260 OE1 GLU A 85 3.073 15.912 -0.941 1.00 0.00 O ATOM 1261 OE2 GLU A 85 3.251 18.119 -0.701 1.00 0.00 O ATOM 0 H GLU A 85 -1.447 17.244 0.611 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.005 15.892 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.634 15.497 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.061 15.337 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.525 17.005 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.896 18.113 0.068 1.00 0.00 H new ATOM 1268 N GLU A 86 1.944 17.398 3.276 1.00 0.00 N ATOM 1269 CA GLU A 86 2.847 18.356 3.889 1.00 0.00 C ATOM 1270 C GLU A 86 2.125 19.136 4.990 1.00 0.00 C ATOM 1271 O GLU A 86 0.926 19.393 4.890 1.00 0.00 O ATOM 1272 CB GLU A 86 3.435 19.304 2.842 1.00 0.00 C ATOM 1273 CG GLU A 86 4.800 19.835 3.288 1.00 0.00 C ATOM 1274 CD GLU A 86 5.689 20.141 2.081 1.00 0.00 C ATOM 1275 OE1 GLU A 86 5.980 19.183 1.332 1.00 0.00 O ATOM 1276 OE2 GLU A 86 6.059 21.326 1.935 1.00 0.00 O ATOM 0 H GLU A 86 2.140 16.423 3.501 1.00 0.00 H new ATOM 0 HA GLU A 86 3.674 17.808 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.537 18.782 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.753 20.138 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.666 20.738 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.289 19.100 3.928 1.00 0.00 H new ATOM 1283 N SER A 87 2.885 19.492 6.015 1.00 0.00 N ATOM 1284 CA SER A 87 2.333 20.237 7.134 1.00 0.00 C ATOM 1285 C SER A 87 1.641 21.504 6.627 1.00 0.00 C ATOM 1286 O SER A 87 1.966 22.005 5.552 1.00 0.00 O ATOM 1287 CB SER A 87 3.421 20.596 8.148 1.00 0.00 C ATOM 1288 OG SER A 87 4.030 19.436 8.709 1.00 0.00 O ATOM 0 H SER A 87 3.879 19.278 6.094 1.00 0.00 H new ATOM 0 HA SER A 87 1.600 19.606 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.182 21.207 7.662 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.989 21.200 8.945 1.00 0.00 H new ATOM 0 HG SER A 87 4.720 19.706 9.350 1.00 0.00 H new ATOM 1294 N ASP A 88 0.700 21.986 7.426 1.00 0.00 N ATOM 1295 CA ASP A 88 -0.040 23.185 7.072 1.00 0.00 C ATOM 1296 C ASP A 88 0.898 24.393 7.125 1.00 0.00 C ATOM 1297 O ASP A 88 1.059 25.013 8.175 1.00 0.00 O ATOM 1298 CB ASP A 88 -1.186 23.434 8.054 1.00 0.00 C ATOM 1299 CG ASP A 88 -2.540 22.866 7.625 1.00 0.00 C ATOM 1300 OD1 ASP A 88 -2.769 21.670 7.909 1.00 0.00 O ATOM 1301 OD2 ASP A 88 -3.316 23.639 7.023 1.00 0.00 O ATOM 0 H ASP A 88 0.433 21.568 8.317 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.446 23.047 6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.918 23.004 9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.290 24.509 8.202 1.00 0.00 H new ATOM 1306 N LYS A 89 1.493 24.690 5.979 1.00 0.00 N ATOM 1307 CA LYS A 89 2.411 25.812 5.881 1.00 0.00 C ATOM 1308 C LYS A 89 3.655 25.523 6.723 1.00 0.00 C ATOM 1309 O LYS A 89 3.579 24.814 7.725 1.00 0.00 O ATOM 1310 CB LYS A 89 1.704 27.116 6.256 1.00 0.00 C ATOM 1311 CG LYS A 89 0.742 27.556 5.150 1.00 0.00 C ATOM 1312 CD LYS A 89 -0.608 26.849 5.285 1.00 0.00 C ATOM 1313 CE LYS A 89 -1.181 26.495 3.911 1.00 0.00 C ATOM 1314 NZ LYS A 89 -2.198 27.489 3.502 1.00 0.00 N ATOM 0 H LYS A 89 1.357 24.173 5.110 1.00 0.00 H new ATOM 0 HA LYS A 89 2.746 25.942 4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.155 26.981 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.443 27.897 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.598 28.635 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.177 27.334 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.490 25.942 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.307 27.492 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.379 26.462 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.627 25.501 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.577 27.234 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.971 27.501 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.762 28.432 3.453 1.00 0.00 H new ATOM 1328 N ARG A 90 4.771 26.086 6.284 1.00 0.00 N ATOM 1329 CA ARG A 90 6.030 25.897 6.985 1.00 0.00 C ATOM 1330 C ARG A 90 6.105 26.824 8.200 1.00 0.00 C ATOM 1331 O ARG A 90 5.512 27.902 8.201 1.00 0.00 O ATOM 1332 CB ARG A 90 7.220 26.176 6.065 1.00 0.00 C ATOM 1333 CG ARG A 90 7.654 24.907 5.330 1.00 0.00 C ATOM 1334 CD ARG A 90 7.855 25.178 3.838 1.00 0.00 C ATOM 1335 NE ARG A 90 8.866 26.242 3.648 1.00 0.00 N ATOM 1336 CZ ARG A 90 9.071 26.886 2.491 1.00 0.00 C ATOM 1337 NH1 ARG A 90 8.336 26.578 1.414 1.00 0.00 N ATOM 1338 NH2 ARG A 90 10.010 27.838 2.412 1.00 0.00 N ATOM 0 H ARG A 90 4.830 26.673 5.452 1.00 0.00 H new ATOM 0 HA ARG A 90 6.075 24.858 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.952 26.946 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.053 26.565 6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.581 24.531 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.902 24.130 5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.176 24.266 3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.910 25.477 3.384 1.00 0.00 H new ATOM 0 HE ARG A 90 9.443 26.501 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.621 25.853 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.492 27.068 0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.569 28.073 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.166 28.328 1.531 1.00 0.00 H new ATOM 1352 N GLU A 91 6.840 26.371 9.206 1.00 0.00 N ATOM 1353 CA GLU A 91 7.000 27.146 10.424 1.00 0.00 C ATOM 1354 C GLU A 91 7.956 28.317 10.186 1.00 0.00 C ATOM 1355 O GLU A 91 9.171 28.130 10.133 1.00 0.00 O ATOM 1356 CB GLU A 91 7.489 26.264 11.575 1.00 0.00 C ATOM 1357 CG GLU A 91 6.338 25.447 12.166 1.00 0.00 C ATOM 1358 CD GLU A 91 6.525 25.246 13.671 1.00 0.00 C ATOM 1359 OE1 GLU A 91 7.264 24.304 14.030 1.00 0.00 O ATOM 1360 OE2 GLU A 91 5.924 26.038 14.428 1.00 0.00 O ATOM 0 H GLU A 91 7.331 25.477 9.202 1.00 0.00 H new ATOM 0 HA GLU A 91 6.027 27.548 10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.270 25.593 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.934 26.886 12.351 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.392 25.955 11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.283 24.478 11.670 1.00 0.00 H new ATOM 1367 N SER A 92 7.372 29.498 10.049 1.00 0.00 N ATOM 1368 CA SER A 92 8.157 30.699 9.818 1.00 0.00 C ATOM 1369 C SER A 92 8.868 31.115 11.108 1.00 0.00 C ATOM 1370 O SER A 92 8.311 31.855 11.917 1.00 0.00 O ATOM 1371 CB SER A 92 7.278 31.841 9.305 1.00 0.00 C ATOM 1372 OG SER A 92 6.923 31.667 7.936 1.00 0.00 O ATOM 0 H SER A 92 6.364 29.649 10.093 1.00 0.00 H new ATOM 0 HA SER A 92 8.903 30.479 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.373 31.902 9.909 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.806 32.787 9.425 1.00 0.00 H new ATOM 0 HG SER A 92 6.361 32.415 7.646 1.00 0.00 H new ATOM 1378 N GLU A 93 10.089 30.622 11.258 1.00 0.00 N ATOM 1379 CA GLU A 93 10.882 30.934 12.435 1.00 0.00 C ATOM 1380 C GLU A 93 11.386 32.377 12.369 1.00 0.00 C ATOM 1381 O GLU A 93 11.645 32.898 11.285 1.00 0.00 O ATOM 1382 CB GLU A 93 12.046 29.952 12.587 1.00 0.00 C ATOM 1383 CG GLU A 93 12.845 30.243 13.860 1.00 0.00 C ATOM 1384 CD GLU A 93 13.279 28.944 14.542 1.00 0.00 C ATOM 1385 OE1 GLU A 93 12.374 28.157 14.893 1.00 0.00 O ATOM 1386 OE2 GLU A 93 14.507 28.768 14.699 1.00 0.00 O ATOM 0 H GLU A 93 10.548 30.009 10.584 1.00 0.00 H new ATOM 0 HA GLU A 93 10.247 30.833 13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.664 28.932 12.618 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.701 30.021 11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.723 30.840 13.614 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.239 30.834 14.547 1.00 0.00 H new ATOM 1393 N SER A 94 11.511 32.981 13.541 1.00 0.00 N ATOM 1394 CA SER A 94 11.980 34.353 13.630 1.00 0.00 C ATOM 1395 C SER A 94 13.376 34.470 13.015 1.00 0.00 C ATOM 1396 O SER A 94 14.086 33.474 12.884 1.00 0.00 O ATOM 1397 CB SER A 94 11.997 34.837 15.081 1.00 0.00 C ATOM 1398 OG SER A 94 10.690 34.872 15.647 1.00 0.00 O ATOM 0 H SER A 94 11.295 32.545 14.438 1.00 0.00 H new ATOM 0 HA SER A 94 11.290 34.987 13.073 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.632 34.180 15.675 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.438 35.833 15.126 1.00 0.00 H new ATOM 0 HG SER A 94 10.743 35.184 16.574 1.00 0.00 H new ATOM 1404 N GLY A 95 13.729 35.695 12.654 1.00 0.00 N ATOM 1405 CA GLY A 95 15.027 35.955 12.057 1.00 0.00 C ATOM 1406 C GLY A 95 15.148 37.416 11.620 1.00 0.00 C ATOM 1407 O GLY A 95 14.518 38.297 12.205 1.00 0.00 O ATOM 0 H GLY A 95 13.138 36.519 12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.814 35.720 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.173 35.301 11.197 1.00 0.00 H new ATOM 1411 N PRO A 96 15.982 37.636 10.569 1.00 0.00 N ATOM 1412 CA PRO A 96 16.193 38.975 10.048 1.00 0.00 C ATOM 1413 C PRO A 96 14.986 39.442 9.232 1.00 0.00 C ATOM 1414 O PRO A 96 14.078 38.660 8.956 1.00 0.00 O ATOM 1415 CB PRO A 96 17.467 38.881 9.224 1.00 0.00 C ATOM 1416 CG PRO A 96 17.666 37.402 8.932 1.00 0.00 C ATOM 1417 CD PRO A 96 16.744 36.618 9.852 1.00 0.00 C ATOM 0 HA PRO A 96 16.299 39.721 10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.378 39.453 8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.317 39.289 9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 96 17.439 37.185 7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.705 37.116 9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 96 16.087 35.958 9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.311 35.990 10.540 1.00 0.00 H new ATOM 1425 N SER A 97 15.016 40.716 8.867 1.00 0.00 N ATOM 1426 CA SER A 97 13.935 41.297 8.088 1.00 0.00 C ATOM 1427 C SER A 97 14.426 41.624 6.676 1.00 0.00 C ATOM 1428 O SER A 97 15.617 41.516 6.388 1.00 0.00 O ATOM 1429 CB SER A 97 13.384 42.554 8.763 1.00 0.00 C ATOM 1430 OG SER A 97 12.236 43.062 8.088 1.00 0.00 O ATOM 0 H SER A 97 15.772 41.362 9.096 1.00 0.00 H new ATOM 0 HA SER A 97 13.127 40.568 8.025 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.126 42.327 9.797 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.158 43.321 8.789 1.00 0.00 H new ATOM 0 HG SER A 97 11.913 43.863 8.550 1.00 0.00 H new ATOM 1436 N SER A 98 13.482 42.017 5.833 1.00 0.00 N ATOM 1437 CA SER A 98 13.804 42.361 4.458 1.00 0.00 C ATOM 1438 C SER A 98 14.428 41.157 3.750 1.00 0.00 C ATOM 1439 O SER A 98 13.717 40.331 3.180 1.00 0.00 O ATOM 1440 CB SER A 98 14.750 43.562 4.397 1.00 0.00 C ATOM 1441 OG SER A 98 14.049 44.782 4.173 1.00 0.00 O ATOM 0 H SER A 98 12.495 42.105 6.075 1.00 0.00 H new ATOM 0 HA SER A 98 12.880 42.635 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.309 43.631 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.478 43.410 3.600 1.00 0.00 H new ATOM 0 HG SER A 98 14.687 45.525 4.142 1.00 0.00 H new ATOM 1447 N GLY A 99 15.750 41.096 3.810 1.00 0.00 N ATOM 1448 CA GLY A 99 16.478 40.006 3.181 1.00 0.00 C ATOM 1449 C GLY A 99 15.960 38.650 3.665 1.00 0.00 C ATOM 1450 O GLY A 99 16.098 37.645 2.969 1.00 0.00 O ATOM 0 H GLY A 99 16.336 41.783 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 99 16.376 40.073 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 99 17.541 40.095 3.407 1.00 0.00 H new TER 1454 GLY A 99