USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 8 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0659) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -59:sc= 0.783 USER MOD Single : A 50 ASN : amide:sc= -1.06! C(o=-1.1!,f=-4.9!) USER MOD Single : A 51 THR OG1 : rot 156:sc= 1.13 USER MOD Single : A 57 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.4!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.721 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 170:sc= -0.331 USER MOD Single : A 71 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.14) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 67:sc= -2.08! USER MOD Single : A 75 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.052) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 16.727 -5.326 2.491 1.00 0.00 N ATOM 2 CA HIS A 8 18.050 -5.200 3.164 1.00 0.00 C ATOM 3 C HIS A 8 17.941 -5.708 4.602 1.00 0.00 C ATOM 4 O HIS A 8 17.815 -4.940 5.535 1.00 0.00 O ATOM 5 CB HIS A 8 18.479 -3.731 3.173 1.00 0.00 C ATOM 6 CG HIS A 8 18.391 -3.174 1.779 1.00 0.00 C ATOM 7 ND1 HIS A 8 17.970 -1.878 1.526 1.00 0.00 N ATOM 8 CD2 HIS A 8 18.666 -3.725 0.553 1.00 0.00 C ATOM 9 CE1 HIS A 8 18.004 -1.693 0.194 1.00 0.00 C ATOM 10 NE2 HIS A 8 18.421 -2.788 -0.447 1.00 0.00 N ATOM 0 HA HIS A 8 18.790 -5.792 2.625 1.00 0.00 H new ATOM 0 HB2 HIS A 8 17.840 -3.159 3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 8 19.498 -3.641 3.548 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.019 -4.732 0.389 1.00 0.00 H new ATOM 0 HE1 HIS A 8 17.728 -0.772 -0.297 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.535 -2.911 -1.453 1.00 0.00 H new ATOM 20 N MET A 9 17.990 -6.999 4.790 1.00 0.00 N ATOM 21 CA MET A 9 17.888 -7.554 6.168 1.00 0.00 C ATOM 22 C MET A 9 19.166 -8.327 6.500 1.00 0.00 C ATOM 23 O MET A 9 19.146 -9.289 7.242 1.00 0.00 O ATOM 24 CB MET A 9 16.686 -8.497 6.253 1.00 0.00 C ATOM 25 CG MET A 9 16.935 -9.724 5.375 1.00 0.00 C ATOM 26 SD MET A 9 17.173 -11.179 6.425 1.00 0.00 S ATOM 27 CE MET A 9 15.438 -11.685 6.509 1.00 0.00 C ATOM 0 H MET A 9 18.096 -7.692 4.049 1.00 0.00 H new ATOM 0 HA MET A 9 17.759 -6.738 6.879 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.523 -8.803 7.286 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.782 -7.981 5.928 1.00 0.00 H new ATOM 0 HG2 MET A 9 16.091 -9.881 4.703 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.814 -9.565 4.750 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.350 -12.583 7.121 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.847 -10.884 6.953 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.071 -11.893 5.504 1.00 0.00 H new ATOM 37 N VAL A 10 20.279 -7.914 5.959 1.00 0.00 N ATOM 38 CA VAL A 10 21.557 -8.625 6.245 1.00 0.00 C ATOM 39 C VAL A 10 22.667 -7.600 6.483 1.00 0.00 C ATOM 40 O VAL A 10 23.542 -7.417 5.660 1.00 0.00 O ATOM 41 CB VAL A 10 21.925 -9.510 5.053 1.00 0.00 C ATOM 42 CG1 VAL A 10 23.195 -10.299 5.376 1.00 0.00 C ATOM 43 CG2 VAL A 10 20.780 -10.484 4.769 1.00 0.00 C ATOM 0 H VAL A 10 20.359 -7.114 5.331 1.00 0.00 H new ATOM 0 HA VAL A 10 21.439 -9.245 7.134 1.00 0.00 H new ATOM 0 HB VAL A 10 22.098 -8.885 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 10 23.457 -10.930 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 24.012 -9.606 5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 10 23.022 -10.924 6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.041 -11.115 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.608 -11.108 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 10 19.874 -9.923 4.539 1.00 0.00 H new ATOM 53 N GLU A 11 22.640 -6.930 7.602 1.00 0.00 N ATOM 54 CA GLU A 11 23.693 -5.916 7.889 1.00 0.00 C ATOM 55 C GLU A 11 24.148 -6.050 9.344 1.00 0.00 C ATOM 56 O GLU A 11 23.364 -6.341 10.225 1.00 0.00 O ATOM 57 CB GLU A 11 23.128 -4.513 7.659 1.00 0.00 C ATOM 58 CG GLU A 11 23.840 -3.863 6.472 1.00 0.00 C ATOM 59 CD GLU A 11 23.859 -2.344 6.657 1.00 0.00 C ATOM 60 OE1 GLU A 11 24.255 -1.903 7.724 1.00 0.00 O ATOM 61 OE2 GLU A 11 23.479 -1.649 5.730 1.00 0.00 O ATOM 0 H GLU A 11 21.934 -7.041 8.330 1.00 0.00 H new ATOM 0 HA GLU A 11 24.543 -6.078 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.056 -4.568 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 11 23.261 -3.905 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 11 24.859 -4.243 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.331 -4.121 5.543 1.00 0.00 H new ATOM 68 N GLU A 12 25.410 -5.838 9.603 1.00 0.00 N ATOM 69 CA GLU A 12 25.914 -5.953 11.000 1.00 0.00 C ATOM 70 C GLU A 12 26.410 -4.585 11.474 1.00 0.00 C ATOM 71 O GLU A 12 27.474 -4.466 12.049 1.00 0.00 O ATOM 72 CB GLU A 12 27.066 -6.958 11.047 1.00 0.00 C ATOM 73 CG GLU A 12 27.266 -7.440 12.485 1.00 0.00 C ATOM 74 CD GLU A 12 26.489 -8.740 12.700 1.00 0.00 C ATOM 75 OE1 GLU A 12 27.034 -9.790 12.400 1.00 0.00 O ATOM 76 OE2 GLU A 12 25.361 -8.664 13.159 1.00 0.00 O ATOM 0 H GLU A 12 26.113 -5.590 8.907 1.00 0.00 H new ATOM 0 HA GLU A 12 25.109 -6.295 11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 12 26.850 -7.805 10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 12 27.981 -6.496 10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.326 -7.601 12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 12 26.923 -6.679 13.186 1.00 0.00 H new ATOM 83 N VAL A 13 25.648 -3.552 11.239 1.00 0.00 N ATOM 84 CA VAL A 13 26.076 -2.195 11.675 1.00 0.00 C ATOM 85 C VAL A 13 25.942 -2.082 13.196 1.00 0.00 C ATOM 86 O VAL A 13 25.339 -2.918 13.838 1.00 0.00 O ATOM 87 CB VAL A 13 25.192 -1.142 11.006 1.00 0.00 C ATOM 88 CG1 VAL A 13 23.763 -1.258 11.540 1.00 0.00 C ATOM 89 CG2 VAL A 13 25.737 0.254 11.316 1.00 0.00 C ATOM 0 H VAL A 13 24.747 -3.590 10.763 1.00 0.00 H new ATOM 0 HA VAL A 13 27.115 -2.032 11.388 1.00 0.00 H new ATOM 0 HB VAL A 13 25.192 -1.303 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.134 -0.507 11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.372 -2.252 11.320 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.763 -1.098 12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.107 1.005 10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.738 0.413 12.394 1.00 0.00 H new ATOM 0 HG23 VAL A 13 26.755 0.340 10.936 1.00 0.00 H new ATOM 99 N LEU A 14 26.500 -1.055 13.776 1.00 0.00 N ATOM 100 CA LEU A 14 26.405 -0.891 15.254 1.00 0.00 C ATOM 101 C LEU A 14 25.727 0.442 15.578 1.00 0.00 C ATOM 102 O LEU A 14 24.725 0.489 16.264 1.00 0.00 O ATOM 103 CB LEU A 14 27.809 -0.911 15.862 1.00 0.00 C ATOM 104 CG LEU A 14 28.008 -2.212 16.644 1.00 0.00 C ATOM 105 CD1 LEU A 14 29.207 -2.971 16.073 1.00 0.00 C ATOM 106 CD2 LEU A 14 28.266 -1.885 18.116 1.00 0.00 C ATOM 0 H LEU A 14 27.018 -0.322 13.290 1.00 0.00 H new ATOM 0 HA LEU A 14 25.817 -1.708 15.672 1.00 0.00 H new ATOM 0 HB2 LEU A 14 28.559 -0.829 15.075 1.00 0.00 H new ATOM 0 HB3 LEU A 14 27.944 -0.054 16.521 1.00 0.00 H new ATOM 0 HG LEU A 14 27.113 -2.829 16.559 1.00 0.00 H new ATOM 0 HD11 LEU A 14 29.350 -3.898 16.629 1.00 0.00 H new ATOM 0 HD12 LEU A 14 29.025 -3.202 15.023 1.00 0.00 H new ATOM 0 HD13 LEU A 14 30.102 -2.355 16.159 1.00 0.00 H new ATOM 0 HD21 LEU A 14 28.408 -2.810 18.675 1.00 0.00 H new ATOM 0 HD22 LEU A 14 29.161 -1.269 18.200 1.00 0.00 H new ATOM 0 HD23 LEU A 14 27.413 -1.343 18.523 1.00 0.00 H new ATOM 118 N GLU A 15 26.265 1.526 15.090 1.00 0.00 N ATOM 119 CA GLU A 15 25.649 2.853 15.371 1.00 0.00 C ATOM 120 C GLU A 15 24.275 2.928 14.703 1.00 0.00 C ATOM 121 O GLU A 15 23.843 2.003 14.044 1.00 0.00 O ATOM 122 CB GLU A 15 26.548 3.960 14.816 1.00 0.00 C ATOM 123 CG GLU A 15 26.939 3.628 13.374 1.00 0.00 C ATOM 124 CD GLU A 15 28.424 3.263 13.319 1.00 0.00 C ATOM 125 OE1 GLU A 15 29.178 3.810 14.106 1.00 0.00 O ATOM 126 OE2 GLU A 15 28.781 2.444 12.488 1.00 0.00 O ATOM 0 H GLU A 15 27.103 1.550 14.510 1.00 0.00 H new ATOM 0 HA GLU A 15 25.537 2.982 16.448 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.028 4.917 14.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.442 4.060 15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.336 2.799 13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.739 4.481 12.726 1.00 0.00 H new ATOM 133 N GLU A 16 23.584 4.023 14.867 1.00 0.00 N ATOM 134 CA GLU A 16 22.238 4.154 14.241 1.00 0.00 C ATOM 135 C GLU A 16 22.378 4.801 12.862 1.00 0.00 C ATOM 136 O GLU A 16 23.463 5.143 12.433 1.00 0.00 O ATOM 137 CB GLU A 16 21.346 5.028 15.127 1.00 0.00 C ATOM 138 CG GLU A 16 21.977 6.414 15.276 1.00 0.00 C ATOM 139 CD GLU A 16 21.928 6.842 16.744 1.00 0.00 C ATOM 140 OE1 GLU A 16 22.845 6.497 17.472 1.00 0.00 O ATOM 141 OE2 GLU A 16 20.975 7.507 17.115 1.00 0.00 O ATOM 0 H GLU A 16 23.893 4.831 15.407 1.00 0.00 H new ATOM 0 HA GLU A 16 21.789 3.167 14.135 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.352 5.114 14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 21.223 4.565 16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 16 23.009 6.395 14.926 1.00 0.00 H new ATOM 0 HG3 GLU A 16 21.444 7.136 14.658 1.00 0.00 H new ATOM 148 N GLU A 17 21.290 4.971 12.162 1.00 0.00 N ATOM 149 CA GLU A 17 21.362 5.595 10.811 1.00 0.00 C ATOM 150 C GLU A 17 20.860 7.038 10.888 1.00 0.00 C ATOM 151 O GLU A 17 21.229 7.877 10.090 1.00 0.00 O ATOM 152 CB GLU A 17 20.488 4.802 9.836 1.00 0.00 C ATOM 153 CG GLU A 17 19.060 4.724 10.377 1.00 0.00 C ATOM 154 CD GLU A 17 18.142 4.120 9.313 1.00 0.00 C ATOM 155 OE1 GLU A 17 18.610 3.913 8.205 1.00 0.00 O ATOM 156 OE2 GLU A 17 16.988 3.875 9.622 1.00 0.00 O ATOM 0 H GLU A 17 20.354 4.705 12.468 1.00 0.00 H new ATOM 0 HA GLU A 17 22.395 5.588 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.491 5.280 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.893 3.799 9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.035 4.116 11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.710 5.719 10.652 1.00 0.00 H new ATOM 163 N GLU A 18 20.023 7.335 11.843 1.00 0.00 N ATOM 164 CA GLU A 18 19.500 8.725 11.969 1.00 0.00 C ATOM 165 C GLU A 18 18.743 9.102 10.695 1.00 0.00 C ATOM 166 O GLU A 18 18.908 10.180 10.159 1.00 0.00 O ATOM 167 CB GLU A 18 20.667 9.693 12.174 1.00 0.00 C ATOM 168 CG GLU A 18 20.190 10.905 12.978 1.00 0.00 C ATOM 169 CD GLU A 18 20.863 12.170 12.444 1.00 0.00 C ATOM 170 OE1 GLU A 18 21.540 12.075 11.433 1.00 0.00 O ATOM 171 OE2 GLU A 18 20.689 13.212 13.053 1.00 0.00 O ATOM 0 H GLU A 18 19.679 6.676 12.541 1.00 0.00 H new ATOM 0 HA GLU A 18 18.826 8.783 12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 21.481 9.192 12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 18 21.060 10.015 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 18 19.106 10.999 12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 18 20.429 10.771 14.033 1.00 0.00 H new ATOM 178 N GLU A 19 17.913 8.223 10.204 1.00 0.00 N ATOM 179 CA GLU A 19 17.146 8.533 8.964 1.00 0.00 C ATOM 180 C GLU A 19 15.674 8.171 9.171 1.00 0.00 C ATOM 181 O GLU A 19 15.347 7.079 9.592 1.00 0.00 O ATOM 182 CB GLU A 19 17.712 7.720 7.798 1.00 0.00 C ATOM 183 CG GLU A 19 18.558 8.630 6.903 1.00 0.00 C ATOM 184 CD GLU A 19 18.865 7.911 5.588 1.00 0.00 C ATOM 185 OE1 GLU A 19 19.365 6.799 5.647 1.00 0.00 O ATOM 186 OE2 GLU A 19 18.595 8.483 4.546 1.00 0.00 O ATOM 0 H GLU A 19 17.733 7.304 10.608 1.00 0.00 H new ATOM 0 HA GLU A 19 17.231 9.596 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.319 6.897 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.900 7.278 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 19 18.025 9.560 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.486 8.895 7.410 1.00 0.00 H new ATOM 193 N GLU A 20 14.784 9.078 8.877 1.00 0.00 N ATOM 194 CA GLU A 20 13.334 8.785 9.057 1.00 0.00 C ATOM 195 C GLU A 20 12.755 8.254 7.744 1.00 0.00 C ATOM 196 O GLU A 20 13.359 8.370 6.697 1.00 0.00 O ATOM 197 CB GLU A 20 12.600 10.067 9.457 1.00 0.00 C ATOM 198 CG GLU A 20 12.879 11.160 8.422 1.00 0.00 C ATOM 199 CD GLU A 20 13.977 12.088 8.942 1.00 0.00 C ATOM 200 OE1 GLU A 20 14.190 12.107 10.143 1.00 0.00 O ATOM 201 OE2 GLU A 20 14.588 12.764 8.131 1.00 0.00 O ATOM 0 H GLU A 20 14.998 10.009 8.520 1.00 0.00 H new ATOM 0 HA GLU A 20 13.209 8.036 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.528 9.879 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.928 10.394 10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.185 10.711 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.971 11.729 8.225 1.00 0.00 H new ATOM 208 N TYR A 21 11.587 7.674 7.792 1.00 0.00 N ATOM 209 CA TYR A 21 10.971 7.136 6.545 1.00 0.00 C ATOM 210 C TYR A 21 9.454 7.331 6.602 1.00 0.00 C ATOM 211 O TYR A 21 8.802 6.933 7.547 1.00 0.00 O ATOM 212 CB TYR A 21 11.291 5.645 6.420 1.00 0.00 C ATOM 213 CG TYR A 21 10.763 4.911 7.630 1.00 0.00 C ATOM 214 CD1 TYR A 21 11.563 4.779 8.773 1.00 0.00 C ATOM 215 CD2 TYR A 21 9.475 4.360 7.609 1.00 0.00 C ATOM 216 CE1 TYR A 21 11.074 4.098 9.896 1.00 0.00 C ATOM 217 CE2 TYR A 21 8.986 3.678 8.732 1.00 0.00 C ATOM 218 CZ TYR A 21 9.787 3.547 9.875 1.00 0.00 C ATOM 219 OH TYR A 21 9.304 2.875 10.981 1.00 0.00 O ATOM 0 H TYR A 21 11.033 7.549 8.639 1.00 0.00 H new ATOM 0 HA TYR A 21 11.373 7.666 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.842 5.241 5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 21 12.368 5.500 6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.557 5.202 8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.859 4.461 6.728 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.690 3.998 10.778 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.993 3.254 8.717 1.00 0.00 H new ATOM 0 HH TYR A 21 8.395 2.557 10.799 1.00 0.00 H new ATOM 229 N VAL A 22 8.885 7.939 5.597 1.00 0.00 N ATOM 230 CA VAL A 22 7.411 8.158 5.594 1.00 0.00 C ATOM 231 C VAL A 22 6.811 7.577 4.312 1.00 0.00 C ATOM 232 O VAL A 22 7.511 7.287 3.363 1.00 0.00 O ATOM 233 CB VAL A 22 7.116 9.656 5.662 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.604 9.876 5.735 1.00 0.00 C ATOM 235 CG2 VAL A 22 7.776 10.249 6.909 1.00 0.00 C ATOM 0 H VAL A 22 9.378 8.294 4.777 1.00 0.00 H new ATOM 0 HA VAL A 22 6.970 7.662 6.459 1.00 0.00 H new ATOM 0 HB VAL A 22 7.512 10.144 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.394 10.944 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.132 9.453 4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.208 9.387 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.566 11.317 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.379 9.760 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.854 10.093 6.860 1.00 0.00 H new ATOM 245 N VAL A 23 5.517 7.409 4.276 1.00 0.00 N ATOM 246 CA VAL A 23 4.872 6.849 3.056 1.00 0.00 C ATOM 247 C VAL A 23 4.320 7.994 2.207 1.00 0.00 C ATOM 248 O VAL A 23 3.671 8.891 2.706 1.00 0.00 O ATOM 249 CB VAL A 23 3.728 5.919 3.464 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.349 5.025 2.283 1.00 0.00 C ATOM 251 CG2 VAL A 23 4.176 5.047 4.639 1.00 0.00 C ATOM 0 H VAL A 23 4.879 7.636 5.039 1.00 0.00 H new ATOM 0 HA VAL A 23 5.607 6.287 2.479 1.00 0.00 H new ATOM 0 HB VAL A 23 2.864 6.515 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.534 4.363 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.031 5.645 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.212 4.429 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.362 4.384 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.040 4.452 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.446 5.683 5.482 1.00 0.00 H new ATOM 261 N GLU A 24 4.576 7.974 0.929 1.00 0.00 N ATOM 262 CA GLU A 24 4.067 9.066 0.056 1.00 0.00 C ATOM 263 C GLU A 24 2.727 8.654 -0.558 1.00 0.00 C ATOM 264 O GLU A 24 1.895 9.484 -0.864 1.00 0.00 O ATOM 265 CB GLU A 24 5.078 9.340 -1.060 1.00 0.00 C ATOM 266 CG GLU A 24 5.170 10.848 -1.307 1.00 0.00 C ATOM 267 CD GLU A 24 6.233 11.128 -2.369 1.00 0.00 C ATOM 268 OE1 GLU A 24 7.251 10.457 -2.352 1.00 0.00 O ATOM 269 OE2 GLU A 24 6.011 12.010 -3.183 1.00 0.00 O ATOM 0 H GLU A 24 5.114 7.250 0.453 1.00 0.00 H new ATOM 0 HA GLU A 24 3.928 9.968 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.056 8.946 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.774 8.829 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.204 11.233 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.422 11.364 -0.381 1.00 0.00 H new ATOM 276 N LYS A 25 2.510 7.380 -0.743 1.00 0.00 N ATOM 277 CA LYS A 25 1.224 6.923 -1.337 1.00 0.00 C ATOM 278 C LYS A 25 1.261 5.406 -1.511 1.00 0.00 C ATOM 279 O LYS A 25 2.311 4.796 -1.492 1.00 0.00 O ATOM 280 CB LYS A 25 1.026 7.588 -2.702 1.00 0.00 C ATOM 281 CG LYS A 25 -0.469 7.779 -2.964 1.00 0.00 C ATOM 282 CD LYS A 25 -0.706 9.154 -3.593 1.00 0.00 C ATOM 283 CE LYS A 25 -0.004 9.224 -4.950 1.00 0.00 C ATOM 284 NZ LYS A 25 -0.792 10.090 -5.872 1.00 0.00 N ATOM 0 H LYS A 25 3.168 6.637 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 25 0.400 7.197 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.536 8.551 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.468 6.973 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.836 6.996 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.026 7.693 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.775 9.330 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.327 9.936 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.003 9.623 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.098 8.224 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.315 10.138 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.744 9.690 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.867 11.047 -5.471 1.00 0.00 H new ATOM 298 N VAL A 26 0.126 4.791 -1.680 1.00 0.00 N ATOM 299 CA VAL A 26 0.103 3.313 -1.855 1.00 0.00 C ATOM 300 C VAL A 26 0.086 2.977 -3.346 1.00 0.00 C ATOM 301 O VAL A 26 -0.627 3.585 -4.121 1.00 0.00 O ATOM 302 CB VAL A 26 -1.144 2.739 -1.186 1.00 0.00 C ATOM 303 CG1 VAL A 26 -1.225 1.242 -1.472 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.060 2.960 0.325 1.00 0.00 C ATOM 0 H VAL A 26 -0.786 5.247 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 26 0.991 2.879 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.030 3.238 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.114 0.828 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.281 1.080 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.338 0.747 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.950 2.550 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.175 2.460 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.995 4.028 0.533 1.00 0.00 H new ATOM 314 N LEU A 27 0.866 2.015 -3.756 1.00 0.00 N ATOM 315 CA LEU A 27 0.895 1.642 -5.197 1.00 0.00 C ATOM 316 C LEU A 27 0.144 0.325 -5.402 1.00 0.00 C ATOM 317 O LEU A 27 -0.643 0.186 -6.318 1.00 0.00 O ATOM 318 CB LEU A 27 2.347 1.478 -5.651 1.00 0.00 C ATOM 319 CG LEU A 27 2.887 2.826 -6.128 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.079 3.754 -4.927 1.00 0.00 C ATOM 321 CD2 LEU A 27 4.231 2.617 -6.829 1.00 0.00 C ATOM 0 H LEU A 27 1.485 1.471 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 27 0.416 2.426 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.956 1.100 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.407 0.745 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 27 2.178 3.275 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.464 4.715 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.123 3.903 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.787 3.306 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.617 3.578 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.939 2.168 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.096 1.956 -7.685 1.00 0.00 H new ATOM 333 N ASP A 28 0.378 -0.644 -4.559 1.00 0.00 N ATOM 334 CA ASP A 28 -0.327 -1.948 -4.712 1.00 0.00 C ATOM 335 C ASP A 28 -0.125 -2.793 -3.454 1.00 0.00 C ATOM 336 O ASP A 28 0.505 -2.372 -2.504 1.00 0.00 O ATOM 337 CB ASP A 28 0.239 -2.692 -5.924 1.00 0.00 C ATOM 338 CG ASP A 28 -0.702 -2.516 -7.117 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.697 -1.828 -6.964 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.411 -3.073 -8.162 1.00 0.00 O ATOM 0 H ASP A 28 1.025 -0.589 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.392 -1.769 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.230 -2.309 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.355 -3.751 -5.692 1.00 0.00 H new ATOM 345 N ARG A 29 -0.656 -3.985 -3.441 1.00 0.00 N ATOM 346 CA ARG A 29 -0.497 -4.861 -2.245 1.00 0.00 C ATOM 347 C ARG A 29 -0.541 -6.327 -2.680 1.00 0.00 C ATOM 348 O ARG A 29 -1.269 -6.695 -3.582 1.00 0.00 O ATOM 349 CB ARG A 29 -1.635 -4.585 -1.258 1.00 0.00 C ATOM 350 CG ARG A 29 -1.661 -5.678 -0.188 1.00 0.00 C ATOM 351 CD ARG A 29 -2.825 -6.633 -0.460 1.00 0.00 C ATOM 352 NE ARG A 29 -4.105 -5.871 -0.449 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.145 -6.334 -1.087 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.014 -6.796 -2.300 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.316 -6.336 -0.511 1.00 0.00 N ATOM 0 H ARG A 29 -1.193 -4.391 -4.207 1.00 0.00 H new ATOM 0 HA ARG A 29 0.459 -4.654 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.498 -3.609 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.588 -4.555 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.719 -6.226 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.767 -5.231 0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.690 -7.123 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.850 -7.418 0.296 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.169 -4.988 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.099 -6.795 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.827 -7.158 -2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.418 -5.976 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.129 -6.698 -1.010 1.00 0.00 H new ATOM 369 N ARG A 30 0.231 -7.168 -2.049 1.00 0.00 N ATOM 370 CA ARG A 30 0.230 -8.609 -2.429 1.00 0.00 C ATOM 371 C ARG A 30 0.162 -9.470 -1.167 1.00 0.00 C ATOM 372 O ARG A 30 0.121 -8.968 -0.061 1.00 0.00 O ATOM 373 CB ARG A 30 1.512 -8.933 -3.200 1.00 0.00 C ATOM 374 CG ARG A 30 2.703 -8.912 -2.241 1.00 0.00 C ATOM 375 CD ARG A 30 3.949 -9.429 -2.963 1.00 0.00 C ATOM 376 NE ARG A 30 5.136 -9.277 -2.076 1.00 0.00 N ATOM 377 CZ ARG A 30 6.320 -9.614 -2.508 1.00 0.00 C ATOM 378 NH1 ARG A 30 6.439 -10.442 -3.509 1.00 0.00 N ATOM 379 NH2 ARG A 30 7.387 -9.124 -1.938 1.00 0.00 N ATOM 0 H ARG A 30 0.862 -6.920 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.635 -8.819 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.428 -9.912 -3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.662 -8.207 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.874 -7.898 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.492 -9.531 -1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.817 -10.476 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.101 -8.876 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 30 5.023 -8.910 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.606 -10.826 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.365 -10.705 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.295 -8.477 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.313 -9.388 -2.276 1.00 0.00 H new ATOM 393 N VAL A 31 0.153 -10.767 -1.322 1.00 0.00 N ATOM 394 CA VAL A 31 0.088 -11.659 -0.131 1.00 0.00 C ATOM 395 C VAL A 31 0.896 -12.930 -0.402 1.00 0.00 C ATOM 396 O VAL A 31 0.775 -13.544 -1.445 1.00 0.00 O ATOM 397 CB VAL A 31 -1.369 -12.031 0.149 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.421 -13.115 1.227 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.125 -10.793 0.636 1.00 0.00 C ATOM 0 H VAL A 31 0.188 -11.246 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 31 0.503 -11.142 0.734 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.831 -12.405 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.459 -13.380 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.881 -13.997 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.960 -12.741 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.164 -11.056 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.663 -10.420 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.088 -10.019 -0.131 1.00 0.00 H new ATOM 409 N VAL A 32 1.719 -13.331 0.528 1.00 0.00 N ATOM 410 CA VAL A 32 2.533 -14.562 0.323 1.00 0.00 C ATOM 411 C VAL A 32 1.813 -15.761 0.943 1.00 0.00 C ATOM 412 O VAL A 32 2.428 -16.738 1.321 1.00 0.00 O ATOM 413 CB VAL A 32 3.898 -14.387 0.992 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.896 -15.374 0.382 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.395 -12.958 0.769 1.00 0.00 C ATOM 0 H VAL A 32 1.863 -12.859 1.421 1.00 0.00 H new ATOM 0 HA VAL A 32 2.669 -14.733 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 32 3.805 -14.578 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.868 -15.249 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.543 -16.393 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.989 -15.184 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.367 -12.832 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.487 -12.768 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.685 -12.254 1.203 1.00 0.00 H new ATOM 425 N LYS A 33 0.515 -15.695 1.052 1.00 0.00 N ATOM 426 CA LYS A 33 -0.241 -16.832 1.648 1.00 0.00 C ATOM 427 C LYS A 33 0.078 -16.927 3.142 1.00 0.00 C ATOM 428 O LYS A 33 0.298 -17.998 3.672 1.00 0.00 O ATOM 429 CB LYS A 33 0.164 -18.133 0.954 1.00 0.00 C ATOM 430 CG LYS A 33 0.151 -17.930 -0.561 1.00 0.00 C ATOM 431 CD LYS A 33 1.317 -18.693 -1.192 1.00 0.00 C ATOM 432 CE LYS A 33 0.885 -19.262 -2.544 1.00 0.00 C ATOM 433 NZ LYS A 33 1.506 -20.603 -2.740 1.00 0.00 N ATOM 0 H LYS A 33 -0.055 -14.903 0.754 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.310 -16.669 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.158 -18.438 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.522 -18.933 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.794 -18.281 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.228 -16.869 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.172 -18.029 -1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.637 -19.499 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.201 -19.343 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.186 -18.589 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.212 -20.990 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.542 -20.513 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.198 -21.243 -1.980 1.00 0.00 H new ATOM 447 N GLY A 34 0.104 -15.816 3.825 1.00 0.00 N ATOM 448 CA GLY A 34 0.409 -15.842 5.283 1.00 0.00 C ATOM 449 C GLY A 34 0.931 -14.472 5.720 1.00 0.00 C ATOM 450 O GLY A 34 0.818 -14.091 6.868 1.00 0.00 O ATOM 0 H GLY A 34 -0.073 -14.890 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.487 -16.099 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.152 -16.611 5.496 1.00 0.00 H new ATOM 454 N LYS A 35 1.504 -13.729 4.813 1.00 0.00 N ATOM 455 CA LYS A 35 2.032 -12.384 5.176 1.00 0.00 C ATOM 456 C LYS A 35 1.551 -11.355 4.152 1.00 0.00 C ATOM 457 O LYS A 35 1.962 -11.363 3.009 1.00 0.00 O ATOM 458 CB LYS A 35 3.562 -12.423 5.182 1.00 0.00 C ATOM 459 CG LYS A 35 4.051 -13.088 6.469 1.00 0.00 C ATOM 460 CD LYS A 35 3.720 -12.193 7.665 1.00 0.00 C ATOM 461 CE LYS A 35 4.541 -12.634 8.878 1.00 0.00 C ATOM 462 NZ LYS A 35 4.119 -14.002 9.292 1.00 0.00 N ATOM 0 H LYS A 35 1.629 -13.995 3.836 1.00 0.00 H new ATOM 0 HA LYS A 35 1.672 -12.106 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.926 -12.974 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.962 -11.412 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.578 -14.063 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.126 -13.259 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.938 -11.152 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.656 -12.252 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.603 -12.628 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.399 -11.933 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.536 -14.229 10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.082 -14.039 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.444 -14.694 8.587 1.00 0.00 H new ATOM 476 N VAL A 36 0.682 -10.468 4.552 1.00 0.00 N ATOM 477 CA VAL A 36 0.174 -9.439 3.600 1.00 0.00 C ATOM 478 C VAL A 36 1.215 -8.330 3.445 1.00 0.00 C ATOM 479 O VAL A 36 1.502 -7.600 4.373 1.00 0.00 O ATOM 480 CB VAL A 36 -1.128 -8.845 4.137 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.547 -7.660 3.266 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.224 -9.912 4.105 1.00 0.00 C ATOM 0 H VAL A 36 0.301 -10.411 5.497 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.011 -9.902 2.631 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.977 -8.506 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.475 -7.237 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.766 -6.900 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.698 -7.998 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.153 -9.490 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.374 -10.249 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.927 -10.758 4.725 1.00 0.00 H new ATOM 492 N GLU A 37 1.782 -8.195 2.277 1.00 0.00 N ATOM 493 CA GLU A 37 2.803 -7.131 2.063 1.00 0.00 C ATOM 494 C GLU A 37 2.141 -5.917 1.411 1.00 0.00 C ATOM 495 O GLU A 37 1.062 -6.007 0.860 1.00 0.00 O ATOM 496 CB GLU A 37 3.908 -7.662 1.148 1.00 0.00 C ATOM 497 CG GLU A 37 4.948 -8.411 1.984 1.00 0.00 C ATOM 498 CD GLU A 37 6.055 -8.938 1.070 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.850 -9.974 0.460 1.00 0.00 O ATOM 500 OE2 GLU A 37 7.090 -8.296 0.994 1.00 0.00 O ATOM 0 H GLU A 37 1.582 -8.775 1.462 1.00 0.00 H new ATOM 0 HA GLU A 37 3.234 -6.841 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.484 -8.327 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.380 -6.837 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.370 -7.747 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.476 -9.238 2.515 1.00 0.00 H new ATOM 507 N TYR A 38 2.778 -4.780 1.466 1.00 0.00 N ATOM 508 CA TYR A 38 2.183 -3.562 0.848 1.00 0.00 C ATOM 509 C TYR A 38 3.274 -2.768 0.128 1.00 0.00 C ATOM 510 O TYR A 38 4.194 -2.262 0.741 1.00 0.00 O ATOM 511 CB TYR A 38 1.554 -2.691 1.937 1.00 0.00 C ATOM 512 CG TYR A 38 0.155 -3.177 2.228 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.052 -4.194 3.170 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.937 -2.613 1.556 1.00 0.00 C ATOM 515 CE1 TYR A 38 -1.350 -4.646 3.440 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.235 -3.064 1.826 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.442 -4.080 2.768 1.00 0.00 C ATOM 518 OH TYR A 38 -3.721 -4.525 3.034 1.00 0.00 O ATOM 0 H TYR A 38 3.685 -4.642 1.912 1.00 0.00 H new ATOM 0 HA TYR A 38 1.417 -3.858 0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.159 -2.730 2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.529 -1.650 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.790 -4.629 3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.778 -1.830 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.509 -5.430 4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.077 -2.628 1.308 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.362 -4.027 2.484 1.00 0.00 H new ATOM 528 N LEU A 39 3.180 -2.653 -1.168 1.00 0.00 N ATOM 529 CA LEU A 39 4.213 -1.889 -1.923 1.00 0.00 C ATOM 530 C LEU A 39 3.826 -0.410 -1.956 1.00 0.00 C ATOM 531 O LEU A 39 2.951 -0.003 -2.693 1.00 0.00 O ATOM 532 CB LEU A 39 4.301 -2.425 -3.354 1.00 0.00 C ATOM 533 CG LEU A 39 5.451 -1.734 -4.088 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.050 -2.693 -5.118 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.922 -0.487 -4.801 1.00 0.00 C ATOM 0 H LEU A 39 2.434 -3.054 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 39 5.180 -2.003 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.460 -3.503 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.362 -2.248 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 39 6.219 -1.446 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.870 -2.200 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.425 -3.582 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.283 -2.981 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.740 0.007 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.154 -0.776 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.495 0.197 -4.068 1.00 0.00 H new ATOM 547 N LEU A 40 4.470 0.398 -1.160 1.00 0.00 N ATOM 548 CA LEU A 40 4.135 1.850 -1.145 1.00 0.00 C ATOM 549 C LEU A 40 5.395 2.666 -1.440 1.00 0.00 C ATOM 550 O LEU A 40 6.482 2.135 -1.543 1.00 0.00 O ATOM 551 CB LEU A 40 3.588 2.239 0.232 1.00 0.00 C ATOM 552 CG LEU A 40 2.881 1.039 0.865 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.852 0.302 1.790 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.678 1.527 1.676 1.00 0.00 C ATOM 0 H LEU A 40 5.213 0.116 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 40 3.380 2.054 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.401 2.575 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.893 3.073 0.135 1.00 0.00 H new ATOM 0 HG LEU A 40 2.543 0.362 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.347 -0.553 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.710 -0.045 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.191 0.978 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.173 0.673 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.018 2.204 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.985 2.052 1.019 1.00 0.00 H new ATOM 566 N LYS A 41 5.256 3.957 -1.574 1.00 0.00 N ATOM 567 CA LYS A 41 6.445 4.808 -1.860 1.00 0.00 C ATOM 568 C LYS A 41 7.010 5.347 -0.544 1.00 0.00 C ATOM 569 O LYS A 41 6.448 5.144 0.513 1.00 0.00 O ATOM 570 CB LYS A 41 6.031 5.978 -2.755 1.00 0.00 C ATOM 571 CG LYS A 41 6.885 5.976 -4.025 1.00 0.00 C ATOM 572 CD LYS A 41 6.109 6.639 -5.164 1.00 0.00 C ATOM 573 CE LYS A 41 5.993 8.140 -4.898 1.00 0.00 C ATOM 574 NZ LYS A 41 4.603 8.591 -5.187 1.00 0.00 N ATOM 0 H LYS A 41 4.371 4.458 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 41 7.205 4.215 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.975 5.896 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.156 6.920 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.819 6.510 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.148 4.954 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.617 6.466 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.117 6.196 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.249 8.357 -3.861 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.701 8.686 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.525 9.612 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.375 8.398 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.937 8.079 -4.574 1.00 0.00 H new ATOM 588 N TRP A 42 8.119 6.031 -0.599 1.00 0.00 N ATOM 589 CA TRP A 42 8.717 6.579 0.650 1.00 0.00 C ATOM 590 C TRP A 42 9.444 7.889 0.335 1.00 0.00 C ATOM 591 O TRP A 42 10.349 7.929 -0.474 1.00 0.00 O ATOM 592 CB TRP A 42 9.711 5.567 1.225 1.00 0.00 C ATOM 593 CG TRP A 42 9.018 4.259 1.441 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.005 3.232 0.560 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.240 3.822 2.593 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.270 2.191 1.098 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.777 2.506 2.350 1.00 0.00 C ATOM 598 CE3 TRP A 42 7.895 4.432 3.814 1.00 0.00 C ATOM 599 CZ2 TRP A 42 6.999 1.820 3.285 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.112 3.746 4.758 1.00 0.00 C ATOM 601 CH2 TRP A 42 6.664 2.442 4.493 1.00 0.00 C ATOM 0 H TRP A 42 8.637 6.234 -1.454 1.00 0.00 H new ATOM 0 HA TRP A 42 7.929 6.768 1.379 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.551 5.438 0.543 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.118 5.935 2.167 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.489 3.226 -0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.111 1.300 0.628 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.235 5.435 4.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.658 0.816 3.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.854 4.224 5.691 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.061 1.919 5.221 1.00 0.00 H new ATOM 612 N LYS A 43 9.054 8.960 0.968 1.00 0.00 N ATOM 613 CA LYS A 43 9.721 10.267 0.704 1.00 0.00 C ATOM 614 C LYS A 43 11.093 10.286 1.381 1.00 0.00 C ATOM 615 O LYS A 43 11.910 11.147 1.123 1.00 0.00 O ATOM 616 CB LYS A 43 8.860 11.402 1.265 1.00 0.00 C ATOM 617 CG LYS A 43 8.667 11.203 2.769 1.00 0.00 C ATOM 618 CD LYS A 43 8.900 12.529 3.495 1.00 0.00 C ATOM 619 CE LYS A 43 7.632 12.925 4.254 1.00 0.00 C ATOM 620 NZ LYS A 43 6.941 14.027 3.528 1.00 0.00 N ATOM 0 H LYS A 43 8.302 8.988 1.657 1.00 0.00 H new ATOM 0 HA LYS A 43 9.844 10.401 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.337 12.363 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.893 11.421 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.660 10.838 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.361 10.448 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.737 12.435 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.165 13.306 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.969 12.065 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.885 13.244 5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.079 14.296 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.575 14.849 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.686 13.707 2.572 1.00 0.00 H new ATOM 634 N GLY A 44 11.352 9.345 2.247 1.00 0.00 N ATOM 635 CA GLY A 44 12.672 9.311 2.939 1.00 0.00 C ATOM 636 C GLY A 44 13.730 8.734 1.996 1.00 0.00 C ATOM 637 O GLY A 44 14.849 9.204 1.940 1.00 0.00 O ATOM 0 H GLY A 44 10.707 8.598 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.957 10.316 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.605 8.704 3.842 1.00 0.00 H new ATOM 641 N PHE A 45 13.386 7.716 1.255 1.00 0.00 N ATOM 642 CA PHE A 45 14.373 7.110 0.317 1.00 0.00 C ATOM 643 C PHE A 45 13.929 7.360 -1.125 1.00 0.00 C ATOM 644 O PHE A 45 13.060 6.685 -1.643 1.00 0.00 O ATOM 645 CB PHE A 45 14.460 5.603 0.568 1.00 0.00 C ATOM 646 CG PHE A 45 14.419 5.335 2.054 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.361 5.934 2.901 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.439 4.485 2.585 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.323 5.684 4.279 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.401 4.236 3.963 1.00 0.00 C ATOM 651 CZ PHE A 45 14.343 4.835 4.811 1.00 0.00 C ATOM 0 H PHE A 45 12.465 7.278 1.259 1.00 0.00 H new ATOM 0 HA PHE A 45 15.351 7.563 0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.633 5.093 0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.381 5.205 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.116 6.588 2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.714 4.022 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.049 6.146 4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.645 3.582 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.314 4.642 5.873 1.00 0.00 H new ATOM 661 N SER A 46 14.517 8.324 -1.779 1.00 0.00 N ATOM 662 CA SER A 46 14.128 8.614 -3.188 1.00 0.00 C ATOM 663 C SER A 46 12.615 8.833 -3.265 1.00 0.00 C ATOM 664 O SER A 46 11.986 9.228 -2.304 1.00 0.00 O ATOM 665 CB SER A 46 14.517 7.433 -4.078 1.00 0.00 C ATOM 666 OG SER A 46 13.514 6.429 -3.990 1.00 0.00 O ATOM 0 H SER A 46 15.250 8.923 -1.399 1.00 0.00 H new ATOM 0 HA SER A 46 14.643 9.512 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.629 7.762 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.480 7.029 -3.766 1.00 0.00 H new ATOM 0 HG SER A 46 13.424 6.137 -3.059 1.00 0.00 H new ATOM 672 N ASP A 47 12.027 8.578 -4.402 1.00 0.00 N ATOM 673 CA ASP A 47 10.556 8.770 -4.539 1.00 0.00 C ATOM 674 C ASP A 47 9.941 7.541 -5.209 1.00 0.00 C ATOM 675 O ASP A 47 8.906 7.618 -5.841 1.00 0.00 O ATOM 676 CB ASP A 47 10.281 10.008 -5.394 1.00 0.00 C ATOM 677 CG ASP A 47 11.208 10.007 -6.611 1.00 0.00 C ATOM 678 OD1 ASP A 47 12.386 10.264 -6.434 1.00 0.00 O ATOM 679 OD2 ASP A 47 10.722 9.747 -7.701 1.00 0.00 O ATOM 0 H ASP A 47 12.502 8.245 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 47 10.114 8.904 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.240 10.015 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.438 10.912 -4.805 1.00 0.00 H new ATOM 684 N GLU A 48 10.570 6.405 -5.080 1.00 0.00 N ATOM 685 CA GLU A 48 10.021 5.172 -5.709 1.00 0.00 C ATOM 686 C GLU A 48 11.060 4.052 -5.625 1.00 0.00 C ATOM 687 O GLU A 48 11.631 3.645 -6.616 1.00 0.00 O ATOM 688 CB GLU A 48 9.692 5.452 -7.178 1.00 0.00 C ATOM 689 CG GLU A 48 10.808 6.292 -7.801 1.00 0.00 C ATOM 690 CD GLU A 48 11.257 5.651 -9.115 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.397 5.220 -9.866 1.00 0.00 O ATOM 692 OE2 GLU A 48 12.453 5.602 -9.349 1.00 0.00 O ATOM 0 H GLU A 48 11.441 6.278 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 48 9.115 4.869 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.582 4.514 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.741 5.978 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.456 7.308 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.650 6.364 -7.113 1.00 0.00 H new ATOM 699 N ASP A 49 11.309 3.550 -4.446 1.00 0.00 N ATOM 700 CA ASP A 49 12.311 2.457 -4.298 1.00 0.00 C ATOM 701 C ASP A 49 11.592 1.107 -4.263 1.00 0.00 C ATOM 702 O ASP A 49 12.208 0.063 -4.351 1.00 0.00 O ATOM 703 CB ASP A 49 13.090 2.654 -2.996 1.00 0.00 C ATOM 704 CG ASP A 49 12.183 2.338 -1.805 1.00 0.00 C ATOM 705 OD1 ASP A 49 10.989 2.563 -1.918 1.00 0.00 O ATOM 706 OD2 ASP A 49 12.697 1.877 -0.800 1.00 0.00 O ATOM 0 H ASP A 49 10.862 3.850 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 49 13.001 2.479 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.966 2.005 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.452 3.680 -2.928 1.00 0.00 H new ATOM 711 N ASN A 50 10.293 1.118 -4.137 1.00 0.00 N ATOM 712 CA ASN A 50 9.538 -0.167 -4.097 1.00 0.00 C ATOM 713 C ASN A 50 9.861 -0.908 -2.798 1.00 0.00 C ATOM 714 O ASN A 50 10.872 -1.571 -2.685 1.00 0.00 O ATOM 715 CB ASN A 50 9.939 -1.033 -5.292 1.00 0.00 C ATOM 716 CG ASN A 50 9.922 -0.186 -6.566 1.00 0.00 C ATOM 717 OD1 ASN A 50 9.558 0.973 -6.534 1.00 0.00 O ATOM 718 ND2 ASN A 50 10.303 -0.718 -7.695 1.00 0.00 N ATOM 0 H ASN A 50 9.722 1.960 -4.060 1.00 0.00 H new ATOM 0 HA ASN A 50 8.469 0.039 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.933 -1.451 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.252 -1.873 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.295 -0.161 -8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.609 -1.691 -7.723 1.00 0.00 H new ATOM 725 N THR A 51 9.008 -0.801 -1.816 1.00 0.00 N ATOM 726 CA THR A 51 9.267 -1.500 -0.527 1.00 0.00 C ATOM 727 C THR A 51 7.997 -2.226 -0.076 1.00 0.00 C ATOM 728 O THR A 51 6.918 -1.668 -0.077 1.00 0.00 O ATOM 729 CB THR A 51 9.673 -0.474 0.536 1.00 0.00 C ATOM 730 OG1 THR A 51 9.982 0.761 -0.096 1.00 0.00 O ATOM 731 CG2 THR A 51 10.899 -0.982 1.295 1.00 0.00 C ATOM 0 H THR A 51 8.144 -0.260 -1.851 1.00 0.00 H new ATOM 0 HA THR A 51 10.071 -2.224 -0.661 1.00 0.00 H new ATOM 0 HB THR A 51 8.850 -0.329 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.866 1.494 0.544 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.187 -0.252 2.051 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.661 -1.930 1.778 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.724 -1.127 0.598 1.00 0.00 H new ATOM 739 N TRP A 52 8.118 -3.468 0.309 1.00 0.00 N ATOM 740 CA TRP A 52 6.918 -4.228 0.759 1.00 0.00 C ATOM 741 C TRP A 52 6.886 -4.274 2.288 1.00 0.00 C ATOM 742 O TRP A 52 7.840 -4.673 2.926 1.00 0.00 O ATOM 743 CB TRP A 52 6.981 -5.654 0.207 1.00 0.00 C ATOM 744 CG TRP A 52 6.887 -5.616 -1.284 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.944 -5.590 -2.132 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.695 -5.600 -2.122 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.474 -5.559 -3.429 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.101 -5.563 -3.476 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.314 -5.614 -1.845 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.183 -5.540 -4.516 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.378 -5.590 -2.895 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.814 -5.554 -4.229 1.00 0.00 C ATOM 0 H TRP A 52 8.995 -3.988 0.331 1.00 0.00 H new ATOM 0 HA TRP A 52 6.018 -3.735 0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.912 -6.132 0.511 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.167 -6.251 0.618 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.984 -5.593 -1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.074 -5.536 -4.254 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.972 -5.643 -0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.523 -5.511 -5.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.321 -5.599 -2.674 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.093 -5.537 -5.033 1.00 0.00 H new ATOM 763 N GLU A 53 5.797 -3.868 2.882 1.00 0.00 N ATOM 764 CA GLU A 53 5.708 -3.888 4.368 1.00 0.00 C ATOM 765 C GLU A 53 4.591 -4.844 4.801 1.00 0.00 C ATOM 766 O GLU A 53 3.602 -4.990 4.111 1.00 0.00 O ATOM 767 CB GLU A 53 5.398 -2.480 4.880 1.00 0.00 C ATOM 768 CG GLU A 53 6.705 -1.718 5.105 1.00 0.00 C ATOM 769 CD GLU A 53 7.085 -1.782 6.585 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.206 -2.034 7.392 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.249 -1.576 6.887 1.00 0.00 O ATOM 0 H GLU A 53 4.966 -3.524 2.402 1.00 0.00 H new ATOM 0 HA GLU A 53 6.658 -4.226 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.775 -1.949 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.833 -2.536 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.499 -2.149 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.592 -0.680 4.792 1.00 0.00 H new ATOM 778 N PRO A 54 4.786 -5.465 5.937 1.00 0.00 N ATOM 779 CA PRO A 54 3.814 -6.417 6.498 1.00 0.00 C ATOM 780 C PRO A 54 2.652 -5.666 7.160 1.00 0.00 C ATOM 781 O PRO A 54 2.837 -4.630 7.767 1.00 0.00 O ATOM 782 CB PRO A 54 4.627 -7.191 7.540 1.00 0.00 C ATOM 783 CG PRO A 54 5.824 -6.284 7.918 1.00 0.00 C ATOM 784 CD PRO A 54 5.995 -5.277 6.764 1.00 0.00 C ATOM 0 HA PRO A 54 3.367 -7.067 5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.020 -7.419 8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.972 -8.142 7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.636 -5.767 8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.730 -6.875 8.054 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.069 -4.255 7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.902 -5.475 6.194 1.00 0.00 H new ATOM 792 N GLU A 55 1.459 -6.182 7.045 1.00 0.00 N ATOM 793 CA GLU A 55 0.290 -5.497 7.667 1.00 0.00 C ATOM 794 C GLU A 55 0.498 -5.400 9.179 1.00 0.00 C ATOM 795 O GLU A 55 -0.089 -4.571 9.845 1.00 0.00 O ATOM 796 CB GLU A 55 -0.982 -6.298 7.378 1.00 0.00 C ATOM 797 CG GLU A 55 -0.829 -7.716 7.930 1.00 0.00 C ATOM 798 CD GLU A 55 -2.052 -8.070 8.776 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.135 -8.140 8.218 1.00 0.00 O ATOM 800 OE2 GLU A 55 -1.887 -8.265 9.970 1.00 0.00 O ATOM 0 H GLU A 55 1.243 -7.046 6.548 1.00 0.00 H new ATOM 0 HA GLU A 55 0.193 -4.495 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.843 -5.810 7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.167 -6.332 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.723 -8.427 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.076 -7.787 8.533 1.00 0.00 H new ATOM 807 N GLU A 56 1.331 -6.242 9.728 1.00 0.00 N ATOM 808 CA GLU A 56 1.575 -6.198 11.197 1.00 0.00 C ATOM 809 C GLU A 56 2.680 -5.183 11.499 1.00 0.00 C ATOM 810 O GLU A 56 3.596 -5.454 12.250 1.00 0.00 O ATOM 811 CB GLU A 56 2.009 -7.582 11.683 1.00 0.00 C ATOM 812 CG GLU A 56 0.996 -8.629 11.214 1.00 0.00 C ATOM 813 CD GLU A 56 1.090 -9.867 12.109 1.00 0.00 C ATOM 814 OE1 GLU A 56 1.873 -9.840 13.044 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.378 -10.821 11.843 1.00 0.00 O ATOM 0 H GLU A 56 1.853 -6.958 9.222 1.00 0.00 H new ATOM 0 HA GLU A 56 0.659 -5.903 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.000 -7.821 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.080 -7.591 12.771 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.012 -8.217 11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.192 -8.901 10.177 1.00 0.00 H new ATOM 822 N ASN A 57 2.598 -4.015 10.922 1.00 0.00 N ATOM 823 CA ASN A 57 3.643 -2.985 11.178 1.00 0.00 C ATOM 824 C ASN A 57 3.244 -1.674 10.498 1.00 0.00 C ATOM 825 O ASN A 57 3.513 -0.598 10.994 1.00 0.00 O ATOM 826 CB ASN A 57 4.982 -3.464 10.613 1.00 0.00 C ATOM 827 CG ASN A 57 5.875 -3.949 11.757 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.535 -3.800 12.914 1.00 0.00 O ATOM 829 ND2 ASN A 57 7.012 -4.526 11.481 1.00 0.00 N ATOM 0 H ASN A 57 1.854 -3.730 10.285 1.00 0.00 H new ATOM 0 HA ASN A 57 3.738 -2.824 12.252 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.819 -4.270 9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.472 -2.653 10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.615 -4.852 12.236 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.298 -4.651 10.510 1.00 0.00 H new ATOM 836 N LEU A 58 2.604 -1.754 9.364 1.00 0.00 N ATOM 837 CA LEU A 58 2.189 -0.511 8.654 1.00 0.00 C ATOM 838 C LEU A 58 1.315 0.337 9.579 1.00 0.00 C ATOM 839 O LEU A 58 0.796 -0.141 10.567 1.00 0.00 O ATOM 840 CB LEU A 58 1.395 -0.882 7.399 1.00 0.00 C ATOM 841 CG LEU A 58 2.311 -0.814 6.176 1.00 0.00 C ATOM 842 CD1 LEU A 58 1.545 -1.281 4.938 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.779 0.629 5.971 1.00 0.00 C ATOM 0 H LEU A 58 2.351 -2.625 8.899 1.00 0.00 H new ATOM 0 HA LEU A 58 3.074 0.058 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.981 -1.885 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.553 -0.201 7.274 1.00 0.00 H new ATOM 0 HG LEU A 58 3.175 -1.459 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.198 -1.233 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.210 -2.308 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.681 -0.636 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.432 0.679 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.914 1.273 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.325 0.963 6.853 1.00 0.00 H new ATOM 855 N ASP A 59 1.151 1.593 9.268 1.00 0.00 N ATOM 856 CA ASP A 59 0.312 2.471 10.132 1.00 0.00 C ATOM 857 C ASP A 59 -0.425 3.489 9.259 1.00 0.00 C ATOM 858 O ASP A 59 -0.691 4.600 9.674 1.00 0.00 O ATOM 859 CB ASP A 59 1.204 3.207 11.132 1.00 0.00 C ATOM 860 CG ASP A 59 0.657 3.009 12.547 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.552 3.046 12.703 1.00 0.00 O ATOM 862 OD2 ASP A 59 1.456 2.822 13.449 1.00 0.00 O ATOM 0 H ASP A 59 1.561 2.049 8.453 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.413 1.863 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.225 2.831 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.240 4.269 10.890 1.00 0.00 H new ATOM 867 N CYS A 60 -0.759 3.118 8.053 1.00 0.00 N ATOM 868 CA CYS A 60 -1.479 4.064 7.155 1.00 0.00 C ATOM 869 C CYS A 60 -2.755 3.398 6.632 1.00 0.00 C ATOM 870 O CYS A 60 -2.790 2.916 5.517 1.00 0.00 O ATOM 871 CB CYS A 60 -0.576 4.434 5.976 1.00 0.00 C ATOM 872 SG CYS A 60 -0.119 6.181 6.091 1.00 0.00 S ATOM 0 H CYS A 60 -0.564 2.201 7.651 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.740 4.965 7.709 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.319 3.812 5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.092 4.243 5.035 1.00 0.00 H new ATOM 0 HG CYS A 60 0.650 6.495 5.091 1.00 0.00 H new ATOM 878 N PRO A 61 -3.769 3.391 7.461 1.00 0.00 N ATOM 879 CA PRO A 61 -5.069 2.791 7.119 1.00 0.00 C ATOM 880 C PRO A 61 -5.864 3.725 6.202 1.00 0.00 C ATOM 881 O PRO A 61 -6.993 3.448 5.846 1.00 0.00 O ATOM 882 CB PRO A 61 -5.759 2.633 8.476 1.00 0.00 C ATOM 883 CG PRO A 61 -5.082 3.648 9.429 1.00 0.00 C ATOM 884 CD PRO A 61 -3.711 3.982 8.813 1.00 0.00 C ATOM 0 HA PRO A 61 -4.979 1.847 6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.828 2.830 8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.650 1.615 8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.690 4.547 9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.966 3.225 10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.545 5.058 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.896 3.557 9.399 1.00 0.00 H new ATOM 892 N ASP A 62 -5.283 4.827 5.813 1.00 0.00 N ATOM 893 CA ASP A 62 -6.003 5.773 4.918 1.00 0.00 C ATOM 894 C ASP A 62 -5.756 5.367 3.466 1.00 0.00 C ATOM 895 O ASP A 62 -6.671 5.271 2.671 1.00 0.00 O ATOM 896 CB ASP A 62 -5.483 7.194 5.148 1.00 0.00 C ATOM 897 CG ASP A 62 -6.556 8.203 4.737 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.725 7.874 4.851 1.00 0.00 O ATOM 899 OD2 ASP A 62 -6.190 9.288 4.315 1.00 0.00 O ATOM 0 H ASP A 62 -4.340 5.112 6.077 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.071 5.744 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.222 7.332 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.574 7.358 4.569 1.00 0.00 H new ATOM 904 N LEU A 63 -4.524 5.118 3.115 1.00 0.00 N ATOM 905 CA LEU A 63 -4.222 4.710 1.719 1.00 0.00 C ATOM 906 C LEU A 63 -4.574 3.234 1.549 1.00 0.00 C ATOM 907 O LEU A 63 -4.905 2.782 0.471 1.00 0.00 O ATOM 908 CB LEU A 63 -2.734 4.918 1.433 1.00 0.00 C ATOM 909 CG LEU A 63 -2.330 6.333 1.843 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.596 6.286 3.184 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.405 6.927 0.778 1.00 0.00 C ATOM 0 H LEU A 63 -3.717 5.180 3.735 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.806 5.313 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.141 4.186 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.531 4.763 0.373 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.222 6.952 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.308 7.296 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.253 5.862 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.704 5.667 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.116 7.937 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.513 6.307 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.926 6.961 -0.179 1.00 0.00 H new ATOM 923 N ILE A 64 -4.509 2.480 2.612 1.00 0.00 N ATOM 924 CA ILE A 64 -4.847 1.036 2.518 1.00 0.00 C ATOM 925 C ILE A 64 -6.351 0.889 2.290 1.00 0.00 C ATOM 926 O ILE A 64 -6.793 0.075 1.504 1.00 0.00 O ATOM 927 CB ILE A 64 -4.453 0.334 3.819 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.931 0.373 3.977 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.922 -1.122 3.776 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.554 -0.032 5.403 1.00 0.00 C ATOM 0 H ILE A 64 -4.236 2.803 3.540 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.305 0.583 1.688 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.921 0.842 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.463 -0.302 3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.558 1.374 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.641 -1.622 4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.006 -1.152 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.454 -1.630 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.470 -0.004 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.010 0.661 6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.913 -1.042 5.601 1.00 0.00 H new ATOM 942 N ALA A 65 -7.140 1.679 2.966 1.00 0.00 N ATOM 943 CA ALA A 65 -8.615 1.591 2.782 1.00 0.00 C ATOM 944 C ALA A 65 -9.014 2.374 1.531 1.00 0.00 C ATOM 945 O ALA A 65 -10.138 2.303 1.075 1.00 0.00 O ATOM 946 CB ALA A 65 -9.319 2.188 4.005 1.00 0.00 C ATOM 0 H ALA A 65 -6.827 2.381 3.637 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.908 0.547 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.399 2.124 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.031 1.633 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.029 3.233 4.118 1.00 0.00 H new ATOM 952 N GLU A 66 -8.099 3.116 0.968 1.00 0.00 N ATOM 953 CA GLU A 66 -8.426 3.898 -0.256 1.00 0.00 C ATOM 954 C GLU A 66 -8.025 3.092 -1.492 1.00 0.00 C ATOM 955 O GLU A 66 -8.569 3.266 -2.564 1.00 0.00 O ATOM 956 CB GLU A 66 -7.656 5.221 -0.240 1.00 0.00 C ATOM 957 CG GLU A 66 -8.641 6.384 -0.096 1.00 0.00 C ATOM 958 CD GLU A 66 -9.218 6.391 1.321 1.00 0.00 C ATOM 959 OE1 GLU A 66 -9.126 5.370 1.983 1.00 0.00 O ATOM 960 OE2 GLU A 66 -9.744 7.417 1.720 1.00 0.00 O ATOM 0 H GLU A 66 -7.141 3.214 1.303 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.496 4.102 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.944 5.229 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.080 5.330 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.137 7.329 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.444 6.287 -0.827 1.00 0.00 H new ATOM 967 N PHE A 67 -7.074 2.209 -1.350 1.00 0.00 N ATOM 968 CA PHE A 67 -6.633 1.391 -2.513 1.00 0.00 C ATOM 969 C PHE A 67 -7.222 -0.017 -2.399 1.00 0.00 C ATOM 970 O PHE A 67 -7.298 -0.748 -3.367 1.00 0.00 O ATOM 971 CB PHE A 67 -5.104 1.309 -2.527 1.00 0.00 C ATOM 972 CG PHE A 67 -4.662 0.235 -3.492 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.667 0.484 -4.870 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.247 -1.013 -3.007 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.258 -0.514 -5.764 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.838 -2.012 -3.901 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.843 -1.762 -5.280 1.00 0.00 C ATOM 0 H PHE A 67 -6.583 2.019 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.979 1.854 -3.437 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.681 2.270 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.733 1.088 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.986 1.446 -5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.242 -1.205 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.263 -0.322 -6.827 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.519 -2.974 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.527 -2.531 -5.969 1.00 0.00 H new ATOM 987 N LEU A 68 -7.635 -0.409 -1.224 1.00 0.00 N ATOM 988 CA LEU A 68 -8.211 -1.773 -1.058 1.00 0.00 C ATOM 989 C LEU A 68 -9.707 -1.743 -1.392 1.00 0.00 C ATOM 990 O LEU A 68 -10.274 -2.722 -1.833 1.00 0.00 O ATOM 991 CB LEU A 68 -7.992 -2.251 0.388 1.00 0.00 C ATOM 992 CG LEU A 68 -9.117 -1.745 1.301 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.335 -2.660 1.169 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.634 -1.758 2.754 1.00 0.00 C ATOM 0 H LEU A 68 -7.598 0.155 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.714 -2.467 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.957 -3.340 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.030 -1.892 0.754 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.390 -0.730 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.133 -2.299 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.680 -2.660 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.061 -3.674 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.431 -1.399 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.363 -2.775 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.764 -1.109 2.854 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.348 -0.625 -1.183 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.803 -0.535 -1.486 1.00 0.00 C ATOM 1008 C GLN A 69 -11.997 -0.062 -2.926 1.00 0.00 C ATOM 1009 O GLN A 69 -12.980 -0.378 -3.565 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.465 0.457 -0.528 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.981 0.431 -0.732 1.00 0.00 C ATOM 1012 CD GLN A 69 -14.671 1.044 0.488 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -15.142 2.162 0.437 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.751 0.352 1.593 1.00 0.00 N ATOM 0 H GLN A 69 -9.927 0.228 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.260 -1.517 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.222 0.200 0.503 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.081 1.462 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.247 0.987 -1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.321 -0.594 -0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.356 -0.587 1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.209 0.751 2.412 1.00 0.00 H new ATOM 1023 N SER A 70 -11.069 0.690 -3.449 1.00 0.00 N ATOM 1024 CA SER A 70 -11.216 1.168 -4.851 1.00 0.00 C ATOM 1025 C SER A 70 -11.052 -0.017 -5.803 1.00 0.00 C ATOM 1026 O SER A 70 -11.392 0.055 -6.966 1.00 0.00 O ATOM 1027 CB SER A 70 -10.150 2.219 -5.157 1.00 0.00 C ATOM 1028 OG SER A 70 -8.863 1.682 -4.879 1.00 0.00 O ATOM 0 H SER A 70 -10.221 0.992 -2.970 1.00 0.00 H new ATOM 0 HA SER A 70 -12.202 1.614 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.212 2.522 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.321 3.112 -4.556 1.00 0.00 H new ATOM 0 HG SER A 70 -8.174 2.288 -5.223 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.537 -1.112 -5.314 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.358 -2.301 -6.190 1.00 0.00 C ATOM 1036 C GLN A 71 -11.732 -2.872 -6.544 1.00 0.00 C ATOM 1037 O GLN A 71 -11.912 -3.491 -7.574 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.538 -3.362 -5.451 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.278 -3.685 -6.257 1.00 0.00 C ATOM 1040 CD GLN A 71 -8.057 -5.198 -6.273 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -6.959 -5.666 -6.045 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -9.061 -5.990 -6.533 1.00 0.00 N ATOM 0 H GLN A 71 -10.234 -1.233 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.834 -2.011 -7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.266 -3.001 -4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.133 -4.264 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.379 -3.311 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.415 -3.185 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.983 -5.598 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.924 -7.001 -6.545 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.704 -2.666 -5.697 1.00 0.00 N ATOM 1052 CA LYS A 72 -14.066 -3.193 -5.988 1.00 0.00 C ATOM 1053 C LYS A 72 -14.859 -2.154 -6.786 1.00 0.00 C ATOM 1054 O LYS A 72 -16.021 -2.343 -7.085 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.791 -3.491 -4.672 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.711 -2.269 -3.756 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.877 -2.294 -2.766 1.00 0.00 C ATOM 1058 CE LYS A 72 -17.199 -2.212 -3.531 1.00 0.00 C ATOM 1059 NZ LYS A 72 -18.262 -1.688 -2.628 1.00 0.00 N ATOM 0 H LYS A 72 -12.613 -2.156 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.982 -4.110 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.833 -3.744 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.340 -4.355 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.763 -2.267 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.743 -1.355 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.844 -3.208 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.795 -1.459 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.090 -1.561 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.477 -3.197 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.162 -1.632 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.371 -2.326 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.996 -0.740 -2.292 1.00 0.00 H new ATOM 1073 N THR A 73 -14.241 -1.057 -7.135 1.00 0.00 N ATOM 1074 CA THR A 73 -14.965 -0.012 -7.916 1.00 0.00 C ATOM 1075 C THR A 73 -14.626 -0.160 -9.400 1.00 0.00 C ATOM 1076 O THR A 73 -15.283 -0.877 -10.129 1.00 0.00 O ATOM 1077 CB THR A 73 -14.546 1.378 -7.434 1.00 0.00 C ATOM 1078 OG1 THR A 73 -13.347 1.275 -6.681 1.00 0.00 O ATOM 1079 CG2 THR A 73 -15.651 1.972 -6.558 1.00 0.00 C ATOM 0 H THR A 73 -13.269 -0.840 -6.914 1.00 0.00 H new ATOM 0 HA THR A 73 -16.038 -0.134 -7.772 1.00 0.00 H new ATOM 0 HB THR A 73 -14.381 2.026 -8.295 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.614 0.998 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.351 2.962 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.571 2.052 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.819 1.326 -5.697 1.00 0.00 H new ATOM 1087 N ALA A 74 -13.603 0.512 -9.855 1.00 0.00 N ATOM 1088 CA ALA A 74 -13.222 0.408 -11.293 1.00 0.00 C ATOM 1089 C ALA A 74 -14.481 0.478 -12.160 1.00 0.00 C ATOM 1090 O ALA A 74 -14.522 -0.046 -13.256 1.00 0.00 O ATOM 1091 CB ALA A 74 -12.507 -0.922 -11.536 1.00 0.00 C ATOM 0 H ALA A 74 -13.015 1.128 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.556 1.231 -11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.228 -0.999 -12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.610 -0.971 -10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.172 -1.745 -11.276 1.00 0.00 H new ATOM 1097 N HIS A 75 -15.510 1.120 -11.678 1.00 0.00 N ATOM 1098 CA HIS A 75 -16.765 1.222 -12.475 1.00 0.00 C ATOM 1099 C HIS A 75 -17.633 2.352 -11.919 1.00 0.00 C ATOM 1100 O HIS A 75 -18.114 3.195 -12.649 1.00 0.00 O ATOM 1101 CB HIS A 75 -17.532 -0.100 -12.389 1.00 0.00 C ATOM 1102 CG HIS A 75 -18.553 -0.160 -13.492 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -18.670 -1.256 -14.332 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -19.513 0.731 -13.902 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -19.666 -0.997 -15.199 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -20.214 0.202 -14.980 1.00 0.00 N ATOM 0 H HIS A 75 -15.536 1.578 -10.767 1.00 0.00 H new ATOM 0 HA HIS A 75 -16.518 1.433 -13.516 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.842 -0.939 -12.472 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -18.023 -0.186 -11.420 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.696 1.697 -13.455 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -19.984 -1.675 -15.977 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.981 0.636 -15.493 1.00 0.00 H new ATOM 1114 N GLU A 76 -17.836 2.375 -10.630 1.00 0.00 N ATOM 1115 CA GLU A 76 -18.674 3.451 -10.028 1.00 0.00 C ATOM 1116 C GLU A 76 -17.931 4.786 -10.118 1.00 0.00 C ATOM 1117 O GLU A 76 -18.533 5.841 -10.134 1.00 0.00 O ATOM 1118 CB GLU A 76 -18.951 3.118 -8.561 1.00 0.00 C ATOM 1119 CG GLU A 76 -19.626 4.314 -7.886 1.00 0.00 C ATOM 1120 CD GLU A 76 -20.280 3.860 -6.579 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -19.931 2.792 -6.104 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -21.120 4.588 -6.077 1.00 0.00 O ATOM 0 H GLU A 76 -17.459 1.696 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 76 -19.618 3.524 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.591 2.238 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.019 2.876 -8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.892 5.094 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -20.376 4.745 -8.550 1.00 0.00 H new ATOM 1129 N THR A 77 -16.629 4.748 -10.179 1.00 0.00 N ATOM 1130 CA THR A 77 -15.850 6.016 -10.268 1.00 0.00 C ATOM 1131 C THR A 77 -15.209 6.123 -11.654 1.00 0.00 C ATOM 1132 O THR A 77 -14.918 5.130 -12.292 1.00 0.00 O ATOM 1133 CB THR A 77 -14.757 6.022 -9.197 1.00 0.00 C ATOM 1134 OG1 THR A 77 -14.061 7.259 -9.241 1.00 0.00 O ATOM 1135 CG2 THR A 77 -13.780 4.874 -9.455 1.00 0.00 C ATOM 0 H THR A 77 -16.070 3.895 -10.171 1.00 0.00 H new ATOM 0 HA THR A 77 -16.516 6.864 -10.109 1.00 0.00 H new ATOM 0 HB THR A 77 -15.210 5.895 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.362 7.265 -8.555 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.002 4.880 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.316 3.925 -9.420 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.325 4.998 -10.438 1.00 0.00 H new ATOM 1143 N ASP A 78 -14.986 7.319 -12.125 1.00 0.00 N ATOM 1144 CA ASP A 78 -14.364 7.486 -13.468 1.00 0.00 C ATOM 1145 C ASP A 78 -13.722 8.873 -13.564 1.00 0.00 C ATOM 1146 O ASP A 78 -14.307 9.866 -13.177 1.00 0.00 O ATOM 1147 CB ASP A 78 -15.439 7.347 -14.548 1.00 0.00 C ATOM 1148 CG ASP A 78 -16.457 8.479 -14.405 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -17.345 8.349 -13.578 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -16.333 9.456 -15.125 1.00 0.00 O ATOM 0 H ASP A 78 -15.208 8.187 -11.638 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.601 6.721 -13.613 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.982 7.378 -15.537 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.938 6.382 -14.457 1.00 0.00 H new ATOM 1155 N LYS A 79 -12.525 8.949 -14.076 1.00 0.00 N ATOM 1156 CA LYS A 79 -11.849 10.271 -14.195 1.00 0.00 C ATOM 1157 C LYS A 79 -12.023 10.806 -15.618 1.00 0.00 C ATOM 1158 O LYS A 79 -11.474 10.275 -16.563 1.00 0.00 O ATOM 1159 CB LYS A 79 -10.358 10.111 -13.890 1.00 0.00 C ATOM 1160 CG LYS A 79 -10.129 10.235 -12.383 1.00 0.00 C ATOM 1161 CD LYS A 79 -9.678 8.886 -11.820 1.00 0.00 C ATOM 1162 CE LYS A 79 -8.355 9.060 -11.074 1.00 0.00 C ATOM 1163 NZ LYS A 79 -7.731 7.725 -10.851 1.00 0.00 N ATOM 0 H LYS A 79 -11.986 8.153 -14.417 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.292 10.971 -13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.006 9.142 -14.244 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.784 10.871 -14.420 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.375 10.995 -12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.047 10.558 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.438 8.489 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.560 8.164 -12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.682 9.696 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.526 9.557 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.831 7.843 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.372 7.132 -10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.554 7.267 -11.768 1.00 0.00 H new ATOM 1177 N SER A 80 -12.784 11.854 -15.778 1.00 0.00 N ATOM 1178 CA SER A 80 -12.994 12.422 -17.139 1.00 0.00 C ATOM 1179 C SER A 80 -11.641 12.791 -17.751 1.00 0.00 C ATOM 1180 O SER A 80 -11.411 12.429 -18.893 1.00 0.00 O ATOM 1181 CB SER A 80 -13.866 13.673 -17.040 1.00 0.00 C ATOM 1182 OG SER A 80 -14.947 13.566 -17.959 1.00 0.00 O ATOM 1183 OXT SER A 80 -10.858 13.431 -17.068 1.00 0.00 O ATOM 0 H SER A 80 -13.269 12.341 -15.025 1.00 0.00 H new ATOM 0 HA SER A 80 -13.489 11.683 -17.769 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.246 13.786 -16.025 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.274 14.561 -17.259 1.00 0.00 H new ATOM 0 HG SER A 80 -15.510 14.366 -17.897 1.00 0.00 H new TER 1189 SER A 80