USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN :FLIP amide:sc= -1.24 F(o=-3.2!,f=-0.82) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.418 X(o=-0.82,f=-1.3) USER MOD Set 2.1: A 43 CYS SG : rot 76:sc= -3.53! USER MOD Set 2.2: A 97 GLN : amide:sc= -0.117! C(o=-3.6!,f=-10!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -164:sc= 0.543 (180deg=-0.56) USER MOD Set 3.2: A 30 CYS SG : rot -52:sc= 0.362 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.164 (180deg=-0.682) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.137) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 13:sc= 0.93 USER MOD Single : A 4 THR OG1 : rot 67:sc= 0.0606 USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.0118 (180deg=-0.166) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.713 F(o=-7.1!,f=-0.71) USER MOD Single : A 11 GLN : amide:sc= -0.687 K(o=-0.69,f=-2.8) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.563 F(o=-1.1,f=-0.56) USER MOD Single : A 20 TYR OH : rot 180:sc= -1.54! USER MOD Single : A 21 MET CE :methyl 155:sc= -0.985 (180deg=-3.24) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -130:sc= -0.0232 USER MOD Single : A 33 SER OG : rot -100:sc= -2.23! USER MOD Single : A 35 GLN : amide:sc= -4.38! C(o=-4.4!,f=-5!) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.19 F(o=-4.1!,f=-1.2) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= 1.25 (180deg=0.784) USER MOD Single : A 65 TYR OH : rot -74:sc= -1.6! USER MOD Single : A 67 ASN : amide:sc= -0.0929 K(o=-0.093,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -6.5! C(o=-6.5!,f=-8.2!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.28 USER MOD Single : A 90 MET CE :methyl -159:sc= -0.45 (180deg=-1.54) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.181 F(o=-2.4!,f=-0.18) USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= 0.324 (180deg=0.25) USER MOD Single : A 103 THR OG1 : rot 85:sc= 0.363 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot -171:sc= 1.19 USER MOD Single : A 108 LYS NZ :NH3+ -122:sc= 1.02 (180deg=-0.815) USER MOD Single : A 109 SER OG : rot 180:sc= -0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.532 10.491 -1.252 1.00 0.00 N ATOM 2 CA MET A 1 20.557 10.964 -2.265 1.00 0.00 C ATOM 3 C MET A 1 19.552 9.881 -2.618 1.00 0.00 C ATOM 4 O MET A 1 18.353 10.142 -2.686 1.00 0.00 O ATOM 5 CB MET A 1 21.308 11.417 -3.522 1.00 0.00 C ATOM 6 CG MET A 1 22.192 12.633 -3.304 1.00 0.00 C ATOM 7 SD MET A 1 21.255 14.084 -2.788 1.00 0.00 S ATOM 8 CE MET A 1 20.167 14.306 -4.197 1.00 0.00 C ATOM 0 H1 MET A 1 22.094 11.296 -0.909 1.00 0.00 H new ATOM 0 H2 MET A 1 21.022 10.060 -0.455 1.00 0.00 H new ATOM 0 H3 MET A 1 22.164 9.785 -1.681 1.00 0.00 H new ATOM 0 HA MET A 1 20.003 11.803 -1.844 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.923 10.593 -3.883 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.584 11.642 -4.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.943 12.402 -2.548 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.727 12.859 -4.226 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.788 15.328 -4.206 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.720 14.116 -5.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.332 13.609 -4.125 1.00 0.00 H new ATOM 20 N SER A 2 20.044 8.672 -2.861 1.00 0.00 N ATOM 21 CA SER A 2 19.183 7.558 -3.226 1.00 0.00 C ATOM 22 C SER A 2 18.149 7.282 -2.136 1.00 0.00 C ATOM 23 O SER A 2 18.484 7.254 -0.947 1.00 0.00 O ATOM 24 CB SER A 2 20.023 6.303 -3.469 1.00 0.00 C ATOM 25 OG SER A 2 20.978 6.514 -4.497 1.00 0.00 O ATOM 0 H SER A 2 21.036 8.440 -2.811 1.00 0.00 H new ATOM 0 HA SER A 2 18.655 7.825 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.533 6.020 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.371 5.473 -3.740 1.00 0.00 H new ATOM 0 HG SER A 2 21.502 5.696 -4.630 1.00 0.00 H new ATOM 31 N THR A 3 16.910 7.045 -2.561 1.00 0.00 N ATOM 32 CA THR A 3 15.807 6.717 -1.660 1.00 0.00 C ATOM 33 C THR A 3 15.653 7.746 -0.537 1.00 0.00 C ATOM 34 O THR A 3 15.405 8.922 -0.803 1.00 0.00 O ATOM 35 CB THR A 3 15.932 5.284 -1.082 1.00 0.00 C ATOM 36 OG1 THR A 3 17.150 5.121 -0.344 1.00 0.00 O ATOM 37 CG2 THR A 3 15.886 4.262 -2.200 1.00 0.00 C ATOM 0 H THR A 3 16.641 7.075 -3.545 1.00 0.00 H new ATOM 0 HA THR A 3 14.901 6.751 -2.264 1.00 0.00 H new ATOM 0 HB THR A 3 15.092 5.129 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.557 5.999 -0.186 1.00 0.00 H new ATOM 0 HG21 THR A 3 15.975 3.260 -1.781 1.00 0.00 H new ATOM 0 HG22 THR A 3 14.940 4.349 -2.734 1.00 0.00 H new ATOM 0 HG23 THR A 3 16.710 4.441 -2.890 1.00 0.00 H new ATOM 45 N THR A 4 15.748 7.279 0.708 1.00 0.00 N ATOM 46 CA THR A 4 15.569 8.119 1.890 1.00 0.00 C ATOM 47 C THR A 4 14.087 8.438 2.112 1.00 0.00 C ATOM 48 O THR A 4 13.351 8.758 1.175 1.00 0.00 O ATOM 49 CB THR A 4 16.387 9.429 1.789 1.00 0.00 C ATOM 50 OG1 THR A 4 17.769 9.118 1.568 1.00 0.00 O ATOM 51 CG2 THR A 4 16.252 10.264 3.056 1.00 0.00 C ATOM 0 H THR A 4 15.952 6.303 0.925 1.00 0.00 H new ATOM 0 HA THR A 4 15.940 7.556 2.746 1.00 0.00 H new ATOM 0 HB THR A 4 15.997 10.009 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.875 8.711 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.838 11.177 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.204 10.521 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.617 9.692 3.909 1.00 0.00 H new ATOM 59 N ILE A 5 13.646 8.268 3.352 1.00 0.00 N ATOM 60 CA ILE A 5 12.244 8.438 3.728 1.00 0.00 C ATOM 61 C ILE A 5 11.685 9.794 3.309 1.00 0.00 C ATOM 62 O ILE A 5 10.523 9.895 2.921 1.00 0.00 O ATOM 63 CB ILE A 5 12.063 8.241 5.244 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.279 6.782 5.610 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.673 8.660 5.666 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.502 6.553 7.088 1.00 0.00 C ATOM 0 H ILE A 5 14.252 8.007 4.130 1.00 0.00 H new ATOM 0 HA ILE A 5 11.681 7.674 3.192 1.00 0.00 H new ATOM 0 HB ILE A 5 12.797 8.859 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.413 6.204 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.139 6.402 5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.560 8.515 6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.521 9.712 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.935 8.056 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.649 5.489 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.386 7.103 7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.633 6.902 7.645 1.00 0.00 H new ATOM 78 N GLU A 6 12.504 10.830 3.409 1.00 0.00 N ATOM 79 CA GLU A 6 12.076 12.182 3.062 1.00 0.00 C ATOM 80 C GLU A 6 11.489 12.218 1.653 1.00 0.00 C ATOM 81 O GLU A 6 10.378 12.707 1.441 1.00 0.00 O ATOM 82 CB GLU A 6 13.263 13.134 3.138 1.00 0.00 C ATOM 83 CG GLU A 6 13.963 13.138 4.484 1.00 0.00 C ATOM 84 CD GLU A 6 15.199 14.013 4.479 1.00 0.00 C ATOM 85 OE1 GLU A 6 15.518 14.587 3.417 1.00 0.00 O ATOM 86 OE2 GLU A 6 15.866 14.115 5.529 1.00 0.00 O ATOM 0 H GLU A 6 13.471 10.763 3.728 1.00 0.00 H new ATOM 0 HA GLU A 6 11.308 12.492 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.983 12.863 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.921 14.144 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.273 13.490 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.242 12.119 4.751 1.00 0.00 H new ATOM 93 N LYS A 7 12.201 11.604 0.715 1.00 0.00 N ATOM 94 CA LYS A 7 11.716 11.467 -0.650 1.00 0.00 C ATOM 95 C LYS A 7 10.523 10.517 -0.702 1.00 0.00 C ATOM 96 O LYS A 7 9.537 10.786 -1.381 1.00 0.00 O ATOM 97 CB LYS A 7 12.830 10.952 -1.568 1.00 0.00 C ATOM 98 CG LYS A 7 14.042 11.879 -1.719 1.00 0.00 C ATOM 99 CD LYS A 7 13.727 13.159 -2.491 1.00 0.00 C ATOM 100 CE LYS A 7 12.891 14.141 -1.688 1.00 0.00 C ATOM 101 NZ LYS A 7 13.637 14.693 -0.524 1.00 0.00 N ATOM 0 H LYS A 7 13.120 11.192 0.878 1.00 0.00 H new ATOM 0 HA LYS A 7 11.399 12.451 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.175 9.991 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.408 10.771 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.416 12.142 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.841 11.342 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.660 13.639 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.197 12.903 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.573 14.959 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.987 13.643 -1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.122 15.510 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.727 13.961 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.584 14.994 -0.830 1.00 0.00 H new ATOM 115 N ILE A 8 10.646 9.386 -0.013 1.00 0.00 N ATOM 116 CA ILE A 8 9.621 8.354 -0.011 1.00 0.00 C ATOM 117 C ILE A 8 8.261 8.877 0.444 1.00 0.00 C ATOM 118 O ILE A 8 7.240 8.565 -0.167 1.00 0.00 O ATOM 119 CB ILE A 8 10.056 7.173 0.878 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.307 6.516 0.281 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.923 6.172 1.031 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.875 5.403 1.127 1.00 0.00 C ATOM 0 H ILE A 8 11.460 9.162 0.559 1.00 0.00 H new ATOM 0 HA ILE A 8 9.508 8.017 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 8 10.300 7.542 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.063 6.121 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.073 7.278 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.250 5.346 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.064 6.662 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.640 5.790 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.757 4.989 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.152 5.795 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.126 4.620 1.249 1.00 0.00 H new ATOM 134 N GLN A 9 8.242 9.671 1.509 1.00 0.00 N ATOM 135 CA GLN A 9 6.987 10.216 2.014 1.00 0.00 C ATOM 136 C GLN A 9 6.286 11.075 0.976 1.00 0.00 C ATOM 137 O GLN A 9 5.062 11.022 0.846 1.00 0.00 O ATOM 138 CB GLN A 9 7.192 10.999 3.314 1.00 0.00 C ATOM 139 CG GLN A 9 7.484 10.121 4.517 1.00 0.00 C ATOM 140 CD GLN A 9 7.626 10.920 5.799 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.744 10.748 6.481 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.725 11.664 6.188 1.00 0.00 N flip ATOM 0 H GLN A 9 9.071 9.949 2.034 1.00 0.00 H new ATOM 0 HA GLN A 9 6.342 9.365 2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.015 11.700 3.179 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.299 11.591 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.682 9.392 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.401 9.560 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.876 11.770 5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.828 12.174 7.065 1.00 0.00 H new ATOM 151 N ARG A 10 7.065 11.798 0.187 1.00 0.00 N ATOM 152 CA ARG A 10 6.513 12.593 -0.902 1.00 0.00 C ATOM 153 C ARG A 10 5.777 11.698 -1.898 1.00 0.00 C ATOM 154 O ARG A 10 4.743 12.081 -2.446 1.00 0.00 O ATOM 155 CB ARG A 10 7.611 13.381 -1.618 1.00 0.00 C ATOM 156 CG ARG A 10 8.343 14.371 -0.724 1.00 0.00 C ATOM 157 CD ARG A 10 7.378 15.351 -0.075 1.00 0.00 C ATOM 158 NE ARG A 10 6.589 16.091 -1.057 1.00 0.00 N ATOM 159 CZ ARG A 10 5.665 16.996 -0.738 1.00 0.00 C ATOM 160 NH1 ARG A 10 5.450 17.317 0.530 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.962 17.592 -1.687 1.00 0.00 N ATOM 0 H ARG A 10 8.079 11.852 0.279 1.00 0.00 H new ATOM 0 HA ARG A 10 5.805 13.302 -0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.334 12.680 -2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.170 13.921 -2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.890 13.831 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.080 14.919 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.707 14.808 0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.939 16.054 0.541 1.00 0.00 H new ATOM 0 HE ARG A 10 6.756 15.904 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.994 16.870 1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.741 18.011 0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.127 17.359 -2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.255 18.285 -1.439 1.00 0.00 H new ATOM 175 N GLN A 11 6.305 10.495 -2.100 1.00 0.00 N ATOM 176 CA GLN A 11 5.688 9.524 -3.002 1.00 0.00 C ATOM 177 C GLN A 11 4.413 8.942 -2.409 1.00 0.00 C ATOM 178 O GLN A 11 3.444 8.703 -3.119 1.00 0.00 O ATOM 179 CB GLN A 11 6.656 8.389 -3.373 1.00 0.00 C ATOM 180 CG GLN A 11 7.665 8.718 -4.476 1.00 0.00 C ATOM 181 CD GLN A 11 8.607 9.864 -4.154 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.189 11.007 -3.981 1.00 0.00 O ATOM 183 NE2 GLN A 11 9.894 9.570 -4.103 1.00 0.00 N ATOM 0 H GLN A 11 7.160 10.167 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 11 5.434 10.067 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.205 8.096 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.071 7.524 -3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.257 7.827 -4.685 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.119 8.960 -5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.204 8.610 -4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.578 10.303 -3.915 1.00 0.00 H new ATOM 192 N ILE A 12 4.442 8.628 -1.128 1.00 0.00 N ATOM 193 CA ILE A 12 3.300 7.984 -0.498 1.00 0.00 C ATOM 194 C ILE A 12 2.113 8.932 -0.415 1.00 0.00 C ATOM 195 O ILE A 12 0.978 8.546 -0.686 1.00 0.00 O ATOM 196 CB ILE A 12 3.634 7.472 0.919 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.877 6.583 0.886 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.449 6.706 1.494 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.174 5.914 2.205 1.00 0.00 C ATOM 0 H ILE A 12 5.232 8.805 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 12 3.043 7.131 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 12 3.840 8.329 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.746 5.818 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.737 7.185 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.697 6.350 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.582 7.364 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.220 5.855 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.069 5.299 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.337 6.674 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.331 5.285 2.492 1.00 0.00 H new ATOM 211 N ALA A 13 2.387 10.154 0.010 1.00 0.00 N ATOM 212 CA ALA A 13 1.351 11.163 0.204 1.00 0.00 C ATOM 213 C ALA A 13 0.582 11.455 -1.084 1.00 0.00 C ATOM 214 O ALA A 13 -0.611 11.758 -1.045 1.00 0.00 O ATOM 215 CB ALA A 13 1.962 12.442 0.755 1.00 0.00 C ATOM 0 H ALA A 13 3.329 10.477 0.230 1.00 0.00 H new ATOM 0 HA ALA A 13 0.637 10.763 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.180 13.188 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.441 12.234 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.704 12.823 0.053 1.00 0.00 H new ATOM 221 N GLU A 14 1.289 11.464 -2.209 1.00 0.00 N ATOM 222 CA GLU A 14 0.680 11.835 -3.483 1.00 0.00 C ATOM 223 C GLU A 14 -0.337 10.793 -3.958 1.00 0.00 C ATOM 224 O GLU A 14 -1.330 11.142 -4.600 1.00 0.00 O ATOM 225 CB GLU A 14 1.742 12.087 -4.557 1.00 0.00 C ATOM 226 CG GLU A 14 2.591 10.880 -4.890 1.00 0.00 C ATOM 227 CD GLU A 14 3.693 11.196 -5.881 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.829 12.373 -6.268 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.442 10.272 -6.266 1.00 0.00 O ATOM 0 H GLU A 14 2.278 11.221 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 14 0.140 12.767 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.248 12.431 -5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.394 12.894 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.033 10.488 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.955 10.095 -5.298 1.00 0.00 H new ATOM 236 N ASN A 15 -0.074 9.517 -3.683 1.00 0.00 N ATOM 237 CA ASN A 15 -0.969 8.450 -4.133 1.00 0.00 C ATOM 238 C ASN A 15 -2.198 8.345 -3.238 1.00 0.00 C ATOM 239 O ASN A 15 -2.084 8.248 -2.018 1.00 0.00 O ATOM 240 CB ASN A 15 -0.233 7.112 -4.175 1.00 0.00 C ATOM 241 CG ASN A 15 0.853 7.076 -5.226 1.00 0.00 C ATOM 242 OD1 ASN A 15 2.083 6.917 -4.790 1.00 0.00 O flip ATOM 243 ND2 ASN A 15 0.588 7.194 -6.426 1.00 0.00 N flip ATOM 0 H ASN A 15 0.740 9.198 -3.158 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.302 8.701 -5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.206 6.913 -3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.949 6.314 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.380 7.316 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.337 7.170 -7.118 1.00 0.00 H new ATOM 250 N PRO A 16 -3.397 8.370 -3.848 1.00 0.00 N ATOM 251 CA PRO A 16 -4.671 8.288 -3.116 1.00 0.00 C ATOM 252 C PRO A 16 -4.814 6.991 -2.357 1.00 0.00 C ATOM 253 O PRO A 16 -5.260 6.959 -1.212 1.00 0.00 O ATOM 254 CB PRO A 16 -5.716 8.308 -4.240 1.00 0.00 C ATOM 255 CG PRO A 16 -5.029 8.957 -5.385 1.00 0.00 C ATOM 256 CD PRO A 16 -3.606 8.497 -5.299 1.00 0.00 C ATOM 0 HA PRO A 16 -4.762 9.087 -2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.043 7.300 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.605 8.866 -3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.481 8.665 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.097 10.043 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.455 7.549 -5.815 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.920 9.216 -5.746 1.00 0.00 H new ATOM 264 N ILE A 17 -4.431 5.926 -3.021 1.00 0.00 N ATOM 265 CA ILE A 17 -4.513 4.596 -2.465 1.00 0.00 C ATOM 266 C ILE A 17 -3.226 3.894 -2.835 1.00 0.00 C ATOM 267 O ILE A 17 -2.822 3.937 -3.997 1.00 0.00 O ATOM 268 CB ILE A 17 -5.702 3.813 -3.076 1.00 0.00 C ATOM 269 CG1 ILE A 17 -7.008 4.627 -3.020 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.888 2.478 -2.371 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.482 4.984 -1.621 1.00 0.00 C ATOM 0 H ILE A 17 -4.052 5.958 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.661 4.647 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.464 3.630 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.869 5.548 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.793 4.060 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.728 1.945 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.982 1.881 -2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.087 2.650 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.407 5.556 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.659 4.071 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.720 5.581 -1.120 1.00 0.00 H new ATOM 283 N LEU A 18 -2.482 3.450 -1.848 1.00 0.00 N ATOM 284 CA LEU A 18 -1.140 2.992 -2.119 1.00 0.00 C ATOM 285 C LEU A 18 -0.859 1.665 -1.441 1.00 0.00 C ATOM 286 O LEU A 18 -1.349 1.386 -0.355 1.00 0.00 O ATOM 287 CB LEU A 18 -0.135 4.055 -1.678 1.00 0.00 C ATOM 288 CG LEU A 18 1.295 3.847 -2.165 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.324 3.777 -3.686 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.179 4.984 -1.669 1.00 0.00 C ATOM 0 H LEU A 18 -2.774 3.397 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.039 2.832 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.482 5.027 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.128 4.094 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 18 1.675 2.906 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.350 3.628 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.706 2.945 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.937 4.708 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.200 4.831 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.802 5.932 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.169 5.004 -0.579 1.00 0.00 H new ATOM 302 N LEU A 19 -0.123 0.828 -2.131 1.00 0.00 N ATOM 303 CA LEU A 19 0.186 -0.505 -1.663 1.00 0.00 C ATOM 304 C LEU A 19 1.647 -0.816 -1.905 1.00 0.00 C ATOM 305 O LEU A 19 2.092 -0.870 -3.036 1.00 0.00 O ATOM 306 CB LEU A 19 -0.701 -1.507 -2.406 1.00 0.00 C ATOM 307 CG LEU A 19 -0.212 -2.954 -2.422 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.092 -3.526 -1.012 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.149 -3.799 -3.261 1.00 0.00 C ATOM 0 H LEU A 19 0.282 1.052 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.004 -0.573 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.694 -1.485 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.810 -1.170 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 19 0.785 -2.971 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.258 -4.557 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.618 -2.931 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.066 -3.499 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.798 -4.831 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.152 -3.761 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.172 -3.414 -4.280 1.00 0.00 H new ATOM 321 N TYR A 20 2.378 -1.100 -0.854 1.00 0.00 N ATOM 322 CA TYR A 20 3.761 -1.490 -1.013 1.00 0.00 C ATOM 323 C TYR A 20 3.902 -2.992 -0.985 1.00 0.00 C ATOM 324 O TYR A 20 3.619 -3.640 0.023 1.00 0.00 O ATOM 325 CB TYR A 20 4.637 -0.856 0.056 1.00 0.00 C ATOM 326 CG TYR A 20 4.972 0.587 -0.225 1.00 0.00 C ATOM 327 CD1 TYR A 20 3.987 1.526 -0.488 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.294 1.002 -0.251 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.316 2.835 -0.765 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.624 2.306 -0.534 1.00 0.00 C ATOM 331 CZ TYR A 20 5.634 3.218 -0.791 1.00 0.00 C ATOM 332 OH TYR A 20 5.962 4.520 -1.083 1.00 0.00 O ATOM 0 H TYR A 20 2.045 -1.070 0.110 1.00 0.00 H new ATOM 0 HA TYR A 20 4.097 -1.129 -1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.130 -0.923 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.562 -1.426 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.949 1.228 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.078 0.289 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.538 3.558 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.660 2.611 -0.554 1.00 0.00 H new ATOM 0 HH TYR A 20 6.936 4.625 -1.059 1.00 0.00 H new ATOM 342 N MET A 21 4.378 -3.532 -2.092 1.00 0.00 N ATOM 343 CA MET A 21 4.606 -4.949 -2.208 1.00 0.00 C ATOM 344 C MET A 21 5.804 -5.248 -3.100 1.00 0.00 C ATOM 345 O MET A 21 6.580 -4.358 -3.423 1.00 0.00 O ATOM 346 CB MET A 21 3.352 -5.621 -2.734 1.00 0.00 C ATOM 347 CG MET A 21 2.784 -5.047 -4.021 1.00 0.00 C ATOM 348 SD MET A 21 1.281 -5.915 -4.516 1.00 0.00 S ATOM 349 CE MET A 21 0.797 -4.997 -5.974 1.00 0.00 C ATOM 0 H MET A 21 4.614 -2.998 -2.929 1.00 0.00 H new ATOM 0 HA MET A 21 4.836 -5.349 -1.220 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.568 -6.677 -2.894 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.583 -5.566 -1.964 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.567 -3.988 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.528 -5.121 -4.814 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.195 -5.634 -6.622 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.213 -4.125 -5.678 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.688 -4.672 -6.511 1.00 0.00 H new ATOM 359 N LYS A 22 5.938 -6.492 -3.537 1.00 0.00 N ATOM 360 CA LYS A 22 7.030 -6.844 -4.428 1.00 0.00 C ATOM 361 C LYS A 22 6.519 -6.854 -5.846 1.00 0.00 C ATOM 362 O LYS A 22 5.817 -7.766 -6.257 1.00 0.00 O ATOM 363 CB LYS A 22 7.638 -8.198 -4.042 1.00 0.00 C ATOM 364 CG LYS A 22 8.904 -8.563 -4.816 1.00 0.00 C ATOM 365 CD LYS A 22 9.603 -9.752 -4.172 1.00 0.00 C ATOM 366 CE LYS A 22 10.910 -10.115 -4.867 1.00 0.00 C ATOM 367 NZ LYS A 22 10.698 -10.681 -6.226 1.00 0.00 N ATOM 0 H LYS A 22 5.315 -7.262 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 22 7.825 -6.103 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.868 -8.189 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.892 -8.977 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.649 -8.800 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.580 -7.708 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.804 -9.526 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.936 -10.614 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.536 -9.226 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.453 -10.837 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.567 -11.155 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.919 -11.369 -6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.460 -9.915 -6.888 1.00 0.00 H new ATOM 381 N GLY A 23 6.849 -5.810 -6.564 1.00 0.00 N ATOM 382 CA GLY A 23 6.373 -5.643 -7.922 1.00 0.00 C ATOM 383 C GLY A 23 7.352 -6.193 -8.918 1.00 0.00 C ATOM 384 O GLY A 23 8.000 -5.450 -9.657 1.00 0.00 O ATOM 0 H GLY A 23 7.450 -5.056 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.413 -6.147 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.204 -4.585 -8.122 1.00 0.00 H new ATOM 388 N SER A 24 7.503 -7.504 -8.885 1.00 0.00 N ATOM 389 CA SER A 24 8.464 -8.179 -9.727 1.00 0.00 C ATOM 390 C SER A 24 7.925 -8.246 -11.151 1.00 0.00 C ATOM 391 O SER A 24 6.727 -8.404 -11.346 1.00 0.00 O ATOM 392 CB SER A 24 8.721 -9.586 -9.170 1.00 0.00 C ATOM 393 OG SER A 24 9.844 -10.203 -9.775 1.00 0.00 O ATOM 0 H SER A 24 6.966 -8.124 -8.278 1.00 0.00 H new ATOM 0 HA SER A 24 9.407 -7.632 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.878 -9.526 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.838 -10.205 -9.330 1.00 0.00 H new ATOM 0 HG SER A 24 9.973 -11.095 -9.391 1.00 0.00 H new ATOM 399 N PRO A 25 8.782 -8.069 -12.167 1.00 0.00 N ATOM 400 CA PRO A 25 8.347 -8.072 -13.567 1.00 0.00 C ATOM 401 C PRO A 25 7.472 -9.284 -13.898 1.00 0.00 C ATOM 402 O PRO A 25 6.434 -9.152 -14.550 1.00 0.00 O ATOM 403 CB PRO A 25 9.663 -8.124 -14.341 1.00 0.00 C ATOM 404 CG PRO A 25 10.650 -7.459 -13.444 1.00 0.00 C ATOM 405 CD PRO A 25 10.225 -7.794 -12.038 1.00 0.00 C ATOM 0 HA PRO A 25 7.731 -7.207 -13.811 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.955 -9.151 -14.560 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.582 -7.605 -15.296 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.660 -7.817 -13.642 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.657 -6.381 -13.603 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.765 -8.659 -11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.416 -6.967 -11.354 1.00 0.00 H new ATOM 413 N LYS A 26 7.859 -10.447 -13.380 1.00 0.00 N ATOM 414 CA LYS A 26 7.076 -11.667 -13.554 1.00 0.00 C ATOM 415 C LYS A 26 5.712 -11.574 -12.858 1.00 0.00 C ATOM 416 O LYS A 26 4.747 -12.203 -13.294 1.00 0.00 O ATOM 417 CB LYS A 26 7.828 -12.893 -13.022 1.00 0.00 C ATOM 418 CG LYS A 26 8.154 -12.827 -11.536 1.00 0.00 C ATOM 419 CD LYS A 26 8.699 -14.151 -11.019 1.00 0.00 C ATOM 420 CE LYS A 26 7.670 -15.265 -11.153 1.00 0.00 C ATOM 421 NZ LYS A 26 8.160 -16.558 -10.611 1.00 0.00 N ATOM 0 H LYS A 26 8.712 -10.570 -12.835 1.00 0.00 H new ATOM 0 HA LYS A 26 6.916 -11.780 -14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.229 -13.784 -13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.756 -13.007 -13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.885 -12.038 -11.359 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.256 -12.560 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.599 -14.417 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.988 -14.044 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.758 -14.978 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.409 -15.390 -12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.424 -17.284 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.016 -16.848 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.384 -16.449 -9.601 1.00 0.00 H new ATOM 435 N LEU A 27 5.672 -10.905 -11.709 1.00 0.00 N ATOM 436 CA LEU A 27 4.474 -10.877 -10.874 1.00 0.00 C ATOM 437 C LEU A 27 4.540 -9.654 -9.956 1.00 0.00 C ATOM 438 O LEU A 27 5.491 -9.511 -9.186 1.00 0.00 O ATOM 439 CB LEU A 27 4.467 -12.153 -10.026 1.00 0.00 C ATOM 440 CG LEU A 27 3.108 -12.642 -9.500 1.00 0.00 C ATOM 441 CD1 LEU A 27 3.280 -13.950 -8.744 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.444 -11.613 -8.606 1.00 0.00 C ATOM 0 H LEU A 27 6.458 -10.374 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 27 3.573 -10.821 -11.484 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.907 -12.955 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.122 -11.993 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 27 2.460 -12.800 -10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.311 -14.287 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.697 -14.704 -9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.955 -13.798 -7.902 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.486 -11.999 -8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.086 -11.406 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.281 -10.694 -9.168 1.00 0.00 H new ATOM 454 N PRO A 28 3.572 -8.725 -10.065 1.00 0.00 N ATOM 455 CA PRO A 28 3.581 -7.472 -9.297 1.00 0.00 C ATOM 456 C PRO A 28 3.278 -7.644 -7.810 1.00 0.00 C ATOM 457 O PRO A 28 2.961 -6.677 -7.129 1.00 0.00 O ATOM 458 CB PRO A 28 2.480 -6.629 -9.953 1.00 0.00 C ATOM 459 CG PRO A 28 2.110 -7.336 -11.209 1.00 0.00 C ATOM 460 CD PRO A 28 2.442 -8.778 -10.997 1.00 0.00 C ATOM 0 HA PRO A 28 4.574 -7.024 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.618 -6.532 -9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.835 -5.620 -10.164 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.050 -7.210 -11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.661 -6.932 -12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.599 -9.328 -10.578 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.712 -9.271 -11.931 1.00 0.00 H new ATOM 468 N SER A 29 3.452 -8.848 -7.298 1.00 0.00 N ATOM 469 CA SER A 29 3.269 -9.110 -5.886 1.00 0.00 C ATOM 470 C SER A 29 3.941 -10.419 -5.480 1.00 0.00 C ATOM 471 O SER A 29 3.317 -11.312 -4.909 1.00 0.00 O ATOM 472 CB SER A 29 1.787 -9.109 -5.554 1.00 0.00 C ATOM 473 OG SER A 29 1.050 -9.943 -6.429 1.00 0.00 O ATOM 0 H SER A 29 3.722 -9.665 -7.846 1.00 0.00 H new ATOM 0 HA SER A 29 3.748 -8.318 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.645 -9.445 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.402 -8.091 -5.613 1.00 0.00 H new ATOM 0 HG SER A 29 0.281 -9.449 -6.781 1.00 0.00 H new ATOM 479 N CYS A 30 5.215 -10.532 -5.829 1.00 0.00 N ATOM 480 CA CYS A 30 6.010 -11.734 -5.576 1.00 0.00 C ATOM 481 C CYS A 30 6.340 -11.907 -4.083 1.00 0.00 C ATOM 482 O CYS A 30 7.505 -12.017 -3.698 1.00 0.00 O ATOM 483 CB CYS A 30 7.292 -11.659 -6.392 1.00 0.00 C ATOM 484 SG CYS A 30 8.344 -13.129 -6.304 1.00 0.00 S ATOM 0 H CYS A 30 5.733 -9.789 -6.299 1.00 0.00 H new ATOM 0 HA CYS A 30 5.422 -12.602 -5.875 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.031 -11.480 -7.435 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.869 -10.798 -6.056 1.00 0.00 H new ATOM 0 HG CYS A 30 8.567 -13.429 -5.059 1.00 0.00 H new ATOM 490 N GLY A 31 5.317 -11.940 -3.260 1.00 0.00 N ATOM 491 CA GLY A 31 5.499 -12.114 -1.829 1.00 0.00 C ATOM 492 C GLY A 31 4.198 -12.477 -1.143 1.00 0.00 C ATOM 493 O GLY A 31 3.398 -13.228 -1.701 1.00 0.00 O ATOM 0 H GLY A 31 4.345 -11.849 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.237 -12.895 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.895 -11.195 -1.397 1.00 0.00 H new ATOM 497 N PHE A 32 3.918 -11.866 0.004 1.00 0.00 N ATOM 498 CA PHE A 32 2.634 -12.076 0.659 1.00 0.00 C ATOM 499 C PHE A 32 1.574 -11.296 -0.056 1.00 0.00 C ATOM 500 O PHE A 32 0.439 -11.723 -0.161 1.00 0.00 O ATOM 501 CB PHE A 32 2.631 -11.639 2.122 1.00 0.00 C ATOM 502 CG PHE A 32 3.403 -12.517 3.049 1.00 0.00 C ATOM 503 CD1 PHE A 32 4.783 -12.572 3.009 1.00 0.00 C ATOM 504 CD2 PHE A 32 2.725 -13.298 3.963 1.00 0.00 C ATOM 505 CE1 PHE A 32 5.480 -13.389 3.878 1.00 0.00 C ATOM 506 CE2 PHE A 32 3.412 -14.120 4.835 1.00 0.00 C ATOM 507 CZ PHE A 32 4.793 -14.165 4.793 1.00 0.00 C ATOM 0 H PHE A 32 4.551 -11.232 0.491 1.00 0.00 H new ATOM 0 HA PHE A 32 2.440 -13.148 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.035 -10.629 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.599 -11.591 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.322 -11.971 2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.646 -13.266 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.559 -13.421 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.872 -14.726 5.547 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.334 -14.805 5.474 1.00 0.00 H new ATOM 517 N SER A 33 1.947 -10.115 -0.486 1.00 0.00 N ATOM 518 CA SER A 33 1.039 -9.191 -1.125 1.00 0.00 C ATOM 519 C SER A 33 0.170 -9.845 -2.193 1.00 0.00 C ATOM 520 O SER A 33 -0.933 -9.388 -2.424 1.00 0.00 O ATOM 521 CB SER A 33 1.837 -8.055 -1.706 1.00 0.00 C ATOM 522 OG SER A 33 2.871 -8.549 -2.540 1.00 0.00 O ATOM 0 H SER A 33 2.901 -9.763 -0.401 1.00 0.00 H new ATOM 0 HA SER A 33 0.347 -8.822 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.182 -7.399 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.265 -7.456 -0.903 1.00 0.00 H new ATOM 0 HG SER A 33 3.719 -8.541 -2.049 1.00 0.00 H new ATOM 528 N ALA A 34 0.631 -10.954 -2.770 1.00 0.00 N ATOM 529 CA ALA A 34 -0.173 -11.708 -3.731 1.00 0.00 C ATOM 530 C ALA A 34 -1.576 -11.984 -3.180 1.00 0.00 C ATOM 531 O ALA A 34 -2.562 -11.805 -3.876 1.00 0.00 O ATOM 532 CB ALA A 34 0.521 -13.017 -4.088 1.00 0.00 C ATOM 0 H ALA A 34 1.554 -11.349 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.276 -11.105 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.088 -13.568 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.495 -12.804 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.653 -13.616 -3.187 1.00 0.00 H new ATOM 538 N GLN A 35 -1.664 -12.350 -1.907 1.00 0.00 N ATOM 539 CA GLN A 35 -2.961 -12.562 -1.267 1.00 0.00 C ATOM 540 C GLN A 35 -3.654 -11.240 -0.894 1.00 0.00 C ATOM 541 O GLN A 35 -4.874 -11.119 -0.998 1.00 0.00 O ATOM 542 CB GLN A 35 -2.830 -13.555 -0.083 1.00 0.00 C ATOM 543 CG GLN A 35 -1.659 -13.334 0.861 1.00 0.00 C ATOM 544 CD GLN A 35 -1.856 -12.267 1.909 1.00 0.00 C ATOM 545 OE1 GLN A 35 -2.538 -12.472 2.904 1.00 0.00 O ATOM 546 NE2 GLN A 35 -1.301 -11.109 1.645 1.00 0.00 N ATOM 0 H GLN A 35 -0.860 -12.506 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.627 -13.027 -1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.750 -13.515 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.755 -14.563 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.439 -14.276 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.781 -13.077 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.741 -10.992 0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.429 -10.325 2.284 1.00 0.00 H new ATOM 555 N ALA A 36 -2.873 -10.267 -0.447 1.00 0.00 N ATOM 556 CA ALA A 36 -3.395 -8.962 -0.021 1.00 0.00 C ATOM 557 C ALA A 36 -3.922 -8.132 -1.188 1.00 0.00 C ATOM 558 O ALA A 36 -4.947 -7.460 -1.075 1.00 0.00 O ATOM 559 CB ALA A 36 -2.317 -8.186 0.722 1.00 0.00 C ATOM 0 H ALA A 36 -1.860 -10.353 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.237 -9.156 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.714 -7.220 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.003 -8.750 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.461 -8.032 0.065 1.00 0.00 H new ATOM 565 N VAL A 37 -3.190 -8.159 -2.290 1.00 0.00 N ATOM 566 CA VAL A 37 -3.534 -7.388 -3.484 1.00 0.00 C ATOM 567 C VAL A 37 -4.928 -7.762 -3.963 1.00 0.00 C ATOM 568 O VAL A 37 -5.713 -6.905 -4.379 1.00 0.00 O ATOM 569 CB VAL A 37 -2.497 -7.597 -4.626 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.426 -9.048 -5.069 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.803 -6.711 -5.823 1.00 0.00 C ATOM 0 H VAL A 37 -2.340 -8.714 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.516 -6.332 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.527 -7.315 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.691 -9.149 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.134 -9.672 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.403 -9.365 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.060 -6.882 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.794 -6.950 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.775 -5.665 -5.518 1.00 0.00 H new ATOM 581 N GLN A 38 -5.233 -9.047 -3.874 1.00 0.00 N ATOM 582 CA GLN A 38 -6.528 -9.554 -4.273 1.00 0.00 C ATOM 583 C GLN A 38 -7.609 -8.995 -3.357 1.00 0.00 C ATOM 584 O GLN A 38 -8.665 -8.576 -3.818 1.00 0.00 O ATOM 585 CB GLN A 38 -6.536 -11.084 -4.237 1.00 0.00 C ATOM 586 CG GLN A 38 -5.299 -11.722 -4.868 1.00 0.00 C ATOM 587 CD GLN A 38 -5.036 -11.304 -6.317 1.00 0.00 C ATOM 588 OE1 GLN A 38 -5.968 -10.593 -6.938 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.009 -11.661 -6.894 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.592 -9.760 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.732 -9.234 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.615 -11.413 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.424 -11.446 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.427 -11.466 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.406 -12.806 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.307 -12.207 -6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.860 -11.411 -7.871 1.00 0.00 H new ATOM 598 N ALA A 39 -7.315 -8.953 -2.059 1.00 0.00 N ATOM 599 CA ALA A 39 -8.238 -8.404 -1.072 1.00 0.00 C ATOM 600 C ALA A 39 -8.557 -6.939 -1.355 1.00 0.00 C ATOM 601 O ALA A 39 -9.699 -6.505 -1.196 1.00 0.00 O ATOM 602 CB ALA A 39 -7.660 -8.547 0.330 1.00 0.00 C ATOM 0 H ALA A 39 -6.438 -9.296 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.167 -8.970 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.360 -8.133 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.492 -9.602 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.714 -8.009 0.390 1.00 0.00 H new ATOM 608 N LEU A 40 -7.532 -6.168 -1.693 1.00 0.00 N ATOM 609 CA LEU A 40 -7.691 -4.732 -1.902 1.00 0.00 C ATOM 610 C LEU A 40 -8.628 -4.480 -3.071 1.00 0.00 C ATOM 611 O LEU A 40 -9.639 -3.789 -2.939 1.00 0.00 O ATOM 612 CB LEU A 40 -6.341 -4.109 -2.234 1.00 0.00 C ATOM 613 CG LEU A 40 -6.137 -2.649 -1.792 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.774 -2.143 -2.244 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.240 -1.733 -2.306 1.00 0.00 C ATOM 0 H LEU A 40 -6.581 -6.511 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.099 -4.291 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.561 -4.717 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.195 -4.164 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.182 -2.631 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.645 -1.109 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.992 -2.760 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.708 -2.197 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.053 -0.714 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.255 -1.758 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.202 -2.071 -1.922 1.00 0.00 H new ATOM 627 N ALA A 41 -8.268 -5.056 -4.214 1.00 0.00 N ATOM 628 CA ALA A 41 -9.045 -4.918 -5.436 1.00 0.00 C ATOM 629 C ALA A 41 -10.446 -5.468 -5.241 1.00 0.00 C ATOM 630 O ALA A 41 -11.410 -4.973 -5.824 1.00 0.00 O ATOM 631 CB ALA A 41 -8.349 -5.624 -6.590 1.00 0.00 C ATOM 0 H ALA A 41 -7.431 -5.630 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.124 -3.858 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.943 -5.511 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.364 -5.184 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.241 -6.683 -6.356 1.00 0.00 H new ATOM 637 N ALA A 42 -10.544 -6.503 -4.422 1.00 0.00 N ATOM 638 CA ALA A 42 -11.831 -7.133 -4.146 1.00 0.00 C ATOM 639 C ALA A 42 -12.727 -6.207 -3.334 1.00 0.00 C ATOM 640 O ALA A 42 -13.915 -6.065 -3.625 1.00 0.00 O ATOM 641 CB ALA A 42 -11.647 -8.458 -3.422 1.00 0.00 C ATOM 0 H ALA A 42 -9.752 -6.926 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.315 -7.330 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.622 -8.906 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.055 -9.132 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.132 -8.288 -2.476 1.00 0.00 H new ATOM 647 N CYS A 43 -12.151 -5.582 -2.315 1.00 0.00 N ATOM 648 CA CYS A 43 -12.897 -4.669 -1.464 1.00 0.00 C ATOM 649 C CYS A 43 -13.271 -3.362 -2.174 1.00 0.00 C ATOM 650 O CYS A 43 -14.441 -2.976 -2.200 1.00 0.00 O ATOM 651 CB CYS A 43 -12.068 -4.326 -0.227 1.00 0.00 C ATOM 652 SG CYS A 43 -12.306 -5.388 1.202 1.00 0.00 S ATOM 0 H CYS A 43 -11.170 -5.692 -2.059 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.821 -5.180 -1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.014 -4.352 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.296 -3.301 0.065 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.699 -6.521 1.007 1.00 0.00 H new ATOM 658 N GLY A 44 -12.258 -2.624 -2.616 1.00 0.00 N ATOM 659 CA GLY A 44 -12.485 -1.297 -3.161 1.00 0.00 C ATOM 660 C GLY A 44 -12.376 -1.199 -4.666 1.00 0.00 C ATOM 661 O GLY A 44 -12.840 -2.069 -5.407 1.00 0.00 O ATOM 0 H GLY A 44 -11.282 -2.921 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.478 -0.962 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.768 -0.609 -2.714 1.00 0.00 H new ATOM 665 N GLU A 45 -11.748 -0.112 -5.100 1.00 0.00 N ATOM 666 CA GLU A 45 -11.526 0.175 -6.508 1.00 0.00 C ATOM 667 C GLU A 45 -10.030 0.164 -6.831 1.00 0.00 C ATOM 668 O GLU A 45 -9.243 -0.529 -6.182 1.00 0.00 O ATOM 669 CB GLU A 45 -12.132 1.528 -6.918 1.00 0.00 C ATOM 670 CG GLU A 45 -11.577 2.724 -6.153 1.00 0.00 C ATOM 671 CD GLU A 45 -11.889 4.042 -6.834 1.00 0.00 C ATOM 672 OE1 GLU A 45 -11.387 4.260 -7.964 1.00 0.00 O ATOM 673 OE2 GLU A 45 -12.626 4.860 -6.260 1.00 0.00 O ATOM 0 H GLU A 45 -11.375 0.602 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.026 -0.608 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.960 1.682 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.211 1.488 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.993 2.732 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.497 2.617 -6.052 1.00 0.00 H new ATOM 680 N ARG A 46 -9.661 0.941 -7.847 1.00 0.00 N ATOM 681 CA ARG A 46 -8.279 1.063 -8.299 1.00 0.00 C ATOM 682 C ARG A 46 -7.372 1.572 -7.194 1.00 0.00 C ATOM 683 O ARG A 46 -7.812 2.250 -6.265 1.00 0.00 O ATOM 684 CB ARG A 46 -8.187 2.021 -9.482 1.00 0.00 C ATOM 685 CG ARG A 46 -9.062 1.640 -10.654 1.00 0.00 C ATOM 686 CD ARG A 46 -8.648 0.322 -11.292 1.00 0.00 C ATOM 687 NE ARG A 46 -9.576 -0.078 -12.356 1.00 0.00 N ATOM 688 CZ ARG A 46 -9.835 0.642 -13.454 1.00 0.00 C ATOM 689 NH1 ARG A 46 -9.176 1.767 -13.707 1.00 0.00 N ATOM 690 NH2 ARG A 46 -10.750 0.221 -14.314 1.00 0.00 N ATOM 0 H ARG A 46 -10.318 1.507 -8.383 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.952 0.067 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.461 3.022 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.151 2.070 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.097 1.568 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.022 2.430 -11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.642 0.416 -11.702 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.611 -0.456 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.059 -0.970 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.459 2.095 -13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.387 2.303 -14.549 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.254 -0.648 -14.138 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.951 0.766 -15.152 1.00 0.00 H new ATOM 704 N PHE A 47 -6.112 1.197 -7.291 1.00 0.00 N ATOM 705 CA PHE A 47 -5.129 1.547 -6.283 1.00 0.00 C ATOM 706 C PHE A 47 -3.732 1.537 -6.890 1.00 0.00 C ATOM 707 O PHE A 47 -3.464 0.799 -7.843 1.00 0.00 O ATOM 708 CB PHE A 47 -5.206 0.558 -5.117 1.00 0.00 C ATOM 709 CG PHE A 47 -4.795 -0.850 -5.452 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.450 -1.203 -5.533 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.753 -1.837 -5.619 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.079 -2.508 -5.789 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.382 -3.146 -5.868 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.045 -3.480 -5.954 1.00 0.00 C ATOM 0 H PHE A 47 -5.742 0.645 -8.065 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.341 2.549 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.573 0.923 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.229 0.542 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.690 -0.448 -5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.800 -1.582 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.033 -2.768 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.138 -3.907 -5.995 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.755 -4.502 -6.150 1.00 0.00 H new ATOM 724 N ALA A 48 -2.837 2.306 -6.305 1.00 0.00 N ATOM 725 CA ALA A 48 -1.452 2.324 -6.740 1.00 0.00 C ATOM 726 C ALA A 48 -0.615 1.443 -5.836 1.00 0.00 C ATOM 727 O ALA A 48 -0.974 1.216 -4.684 1.00 0.00 O ATOM 728 CB ALA A 48 -0.904 3.741 -6.777 1.00 0.00 C ATOM 0 H ALA A 48 -3.043 2.929 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.405 1.930 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.135 3.721 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.493 4.341 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.960 4.179 -5.780 1.00 0.00 H new ATOM 734 N TYR A 49 0.458 0.894 -6.370 1.00 0.00 N ATOM 735 CA TYR A 49 1.289 -0.022 -5.615 1.00 0.00 C ATOM 736 C TYR A 49 2.756 0.339 -5.854 1.00 0.00 C ATOM 737 O TYR A 49 3.098 0.911 -6.891 1.00 0.00 O ATOM 738 CB TYR A 49 1.014 -1.474 -6.040 1.00 0.00 C ATOM 739 CG TYR A 49 1.793 -1.930 -7.246 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.122 -2.294 -7.108 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.223 -1.973 -8.506 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.870 -2.691 -8.184 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.964 -2.377 -9.600 1.00 0.00 C ATOM 744 CZ TYR A 49 3.288 -2.737 -9.436 1.00 0.00 C ATOM 745 OH TYR A 49 4.030 -3.134 -10.528 1.00 0.00 O ATOM 0 H TYR A 49 0.775 1.066 -7.324 1.00 0.00 H new ATOM 0 HA TYR A 49 1.059 0.063 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.244 -2.134 -5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.050 -1.583 -6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.579 -2.264 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.189 -1.688 -8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.906 -2.966 -8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.510 -2.411 -10.579 1.00 0.00 H new ATOM 0 HH TYR A 49 3.469 -3.111 -11.331 1.00 0.00 H new ATOM 755 N VAL A 50 3.611 0.012 -4.905 1.00 0.00 N ATOM 756 CA VAL A 50 5.029 0.303 -5.019 1.00 0.00 C ATOM 757 C VAL A 50 5.851 -0.927 -4.685 1.00 0.00 C ATOM 758 O VAL A 50 5.626 -1.569 -3.659 1.00 0.00 O ATOM 759 CB VAL A 50 5.447 1.443 -4.066 1.00 0.00 C ATOM 760 CG1 VAL A 50 6.925 1.764 -4.216 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.602 2.682 -4.298 1.00 0.00 C ATOM 0 H VAL A 50 3.347 -0.459 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 50 5.213 0.610 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 50 5.277 1.103 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.193 2.570 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.515 0.878 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.128 2.074 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.917 3.470 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.729 3.022 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.553 2.445 -4.121 1.00 0.00 H new ATOM 771 N ASP A 51 6.850 -1.200 -5.513 1.00 0.00 N ATOM 772 CA ASP A 51 7.770 -2.291 -5.252 1.00 0.00 C ATOM 773 C ASP A 51 8.706 -1.926 -4.114 1.00 0.00 C ATOM 774 O ASP A 51 9.214 -0.808 -4.048 1.00 0.00 O ATOM 775 CB ASP A 51 8.587 -2.656 -6.493 1.00 0.00 C ATOM 776 CG ASP A 51 9.518 -3.822 -6.243 1.00 0.00 C ATOM 777 OD1 ASP A 51 10.445 -3.699 -5.413 1.00 0.00 O ATOM 778 OD2 ASP A 51 9.312 -4.877 -6.858 1.00 0.00 O ATOM 0 H ASP A 51 7.041 -0.680 -6.369 1.00 0.00 H new ATOM 0 HA ASP A 51 7.174 -3.160 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.911 -2.903 -7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.169 -1.791 -6.810 1.00 0.00 H new ATOM 783 N ILE A 52 8.955 -2.888 -3.248 1.00 0.00 N ATOM 784 CA ILE A 52 9.861 -2.702 -2.129 1.00 0.00 C ATOM 785 C ILE A 52 10.518 -4.003 -1.693 1.00 0.00 C ATOM 786 O ILE A 52 11.701 -4.012 -1.400 1.00 0.00 O ATOM 787 CB ILE A 52 9.193 -1.991 -0.935 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.687 -2.230 -0.917 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.503 -0.514 -0.963 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.297 -3.639 -0.574 1.00 0.00 C ATOM 0 H ILE A 52 8.538 -3.817 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 52 10.649 -2.044 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 52 9.603 -2.414 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.230 -1.552 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.278 -1.978 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.025 -0.026 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.582 -0.367 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.127 -0.081 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.211 -3.728 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.723 -4.323 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.674 -3.890 0.417 1.00 0.00 H new ATOM 802 N LEU A 53 9.803 -5.125 -1.755 1.00 0.00 N ATOM 803 CA LEU A 53 10.441 -6.412 -1.464 1.00 0.00 C ATOM 804 C LEU A 53 11.508 -6.729 -2.517 1.00 0.00 C ATOM 805 O LEU A 53 12.417 -7.521 -2.275 1.00 0.00 O ATOM 806 CB LEU A 53 9.447 -7.588 -1.315 1.00 0.00 C ATOM 807 CG LEU A 53 8.439 -7.484 -0.165 1.00 0.00 C ATOM 808 CD1 LEU A 53 8.966 -6.574 0.926 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.075 -7.029 -0.654 1.00 0.00 C ATOM 0 H LEU A 53 8.813 -5.174 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 53 10.913 -6.302 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.892 -7.687 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.020 -8.506 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 53 8.310 -8.481 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.236 -6.513 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.903 -6.975 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.139 -5.578 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.388 -6.967 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.165 -6.048 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.692 -7.744 -1.382 1.00 0.00 H new ATOM 821 N GLN A 54 11.433 -6.048 -3.658 1.00 0.00 N ATOM 822 CA GLN A 54 12.431 -6.199 -4.706 1.00 0.00 C ATOM 823 C GLN A 54 13.512 -5.114 -4.584 1.00 0.00 C ATOM 824 O GLN A 54 14.702 -5.424 -4.659 1.00 0.00 O ATOM 825 CB GLN A 54 11.745 -6.202 -6.093 1.00 0.00 C ATOM 826 CG GLN A 54 12.693 -6.197 -7.290 1.00 0.00 C ATOM 827 CD GLN A 54 13.188 -4.802 -7.663 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.554 -3.776 -7.114 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 14.089 -4.651 -8.489 1.00 0.00 N flip ATOM 0 H GLN A 54 10.689 -5.386 -3.878 1.00 0.00 H new ATOM 0 HA GLN A 54 12.936 -7.158 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.105 -7.081 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.096 -5.329 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.551 -6.832 -7.068 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.185 -6.636 -8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.555 -5.465 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.370 -3.712 -8.772 1.00 0.00 H new ATOM 838 N ASN A 55 13.114 -3.863 -4.328 1.00 0.00 N ATOM 839 CA ASN A 55 14.088 -2.783 -4.121 1.00 0.00 C ATOM 840 C ASN A 55 14.794 -2.951 -2.783 1.00 0.00 C ATOM 841 O ASN A 55 14.163 -2.923 -1.739 1.00 0.00 O ATOM 842 CB ASN A 55 13.425 -1.400 -4.165 1.00 0.00 C ATOM 843 CG ASN A 55 12.851 -1.053 -5.524 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.561 -1.076 -6.529 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.578 -0.701 -5.565 1.00 0.00 N ATOM 0 H ASN A 55 12.138 -3.574 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 55 14.811 -2.847 -4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.629 -1.363 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.158 -0.644 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.151 -0.436 -6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.023 -0.695 -4.709 1.00 0.00 H new ATOM 852 N PRO A 56 16.120 -3.127 -2.793 1.00 0.00 N ATOM 853 CA PRO A 56 16.895 -3.312 -1.563 1.00 0.00 C ATOM 854 C PRO A 56 16.897 -2.075 -0.666 1.00 0.00 C ATOM 855 O PRO A 56 16.825 -2.186 0.560 1.00 0.00 O ATOM 856 CB PRO A 56 18.310 -3.610 -2.071 1.00 0.00 C ATOM 857 CG PRO A 56 18.356 -3.040 -3.445 1.00 0.00 C ATOM 858 CD PRO A 56 16.966 -3.173 -3.997 1.00 0.00 C ATOM 0 HA PRO A 56 16.473 -4.102 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.064 -3.154 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.507 -4.682 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.669 -1.996 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.075 -3.575 -4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.728 -2.364 -4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.838 -4.107 -4.544 1.00 0.00 H new ATOM 866 N ASP A 57 17.083 -0.913 -1.277 1.00 0.00 N ATOM 867 CA ASP A 57 17.221 0.338 -0.529 1.00 0.00 C ATOM 868 C ASP A 57 15.916 0.749 0.131 1.00 0.00 C ATOM 869 O ASP A 57 15.877 1.077 1.317 1.00 0.00 O ATOM 870 CB ASP A 57 17.688 1.461 -1.457 1.00 0.00 C ATOM 871 CG ASP A 57 19.070 1.226 -2.031 1.00 0.00 C ATOM 872 OD1 ASP A 57 20.045 1.192 -1.254 1.00 0.00 O ATOM 873 OD2 ASP A 57 19.182 1.067 -3.263 1.00 0.00 O ATOM 0 H ASP A 57 17.142 -0.806 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 57 17.962 0.166 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.975 1.567 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.685 2.402 -0.907 1.00 0.00 H new ATOM 878 N ILE A 58 14.864 0.809 -0.670 1.00 0.00 N ATOM 879 CA ILE A 58 13.565 1.275 -0.206 1.00 0.00 C ATOM 880 C ILE A 58 13.000 0.319 0.841 1.00 0.00 C ATOM 881 O ILE A 58 12.356 0.738 1.802 1.00 0.00 O ATOM 882 CB ILE A 58 12.577 1.410 -1.387 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.236 2.153 -2.552 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.331 2.160 -0.948 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.337 2.319 -3.759 1.00 0.00 C ATOM 0 H ILE A 58 14.885 0.538 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 58 13.699 2.257 0.248 1.00 0.00 H new ATOM 0 HB ILE A 58 12.297 0.409 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.554 3.138 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.135 1.615 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.644 2.248 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.845 1.616 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.609 3.155 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.874 2.854 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.040 1.338 -4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.449 2.885 -3.476 1.00 0.00 H new ATOM 897 N ARG A 59 13.257 -0.968 0.630 1.00 0.00 N ATOM 898 CA ARG A 59 12.796 -2.029 1.521 1.00 0.00 C ATOM 899 C ARG A 59 13.268 -1.808 2.953 1.00 0.00 C ATOM 900 O ARG A 59 12.601 -2.222 3.890 1.00 0.00 O ATOM 901 CB ARG A 59 13.286 -3.389 0.983 1.00 0.00 C ATOM 902 CG ARG A 59 12.874 -4.624 1.784 1.00 0.00 C ATOM 903 CD ARG A 59 13.740 -4.835 3.021 1.00 0.00 C ATOM 904 NE ARG A 59 15.149 -5.060 2.689 1.00 0.00 N ATOM 905 CZ ARG A 59 15.610 -6.123 2.022 1.00 0.00 C ATOM 906 NH1 ARG A 59 14.789 -7.111 1.675 1.00 0.00 N ATOM 907 NH2 ARG A 59 16.900 -6.207 1.725 1.00 0.00 N ATOM 0 H ARG A 59 13.794 -1.307 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 59 11.706 -2.017 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.920 -3.505 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.374 -3.364 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.832 -4.525 2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.938 -5.505 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.658 -3.964 3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.362 -5.689 3.584 1.00 0.00 H new ATOM 0 HE ARG A 59 15.825 -4.357 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.800 -7.061 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.149 -7.918 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.537 -5.462 2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.255 -7.017 1.216 1.00 0.00 H new ATOM 921 N ALA A 60 14.486 -1.319 3.110 1.00 0.00 N ATOM 922 CA ALA A 60 15.095 -1.243 4.430 1.00 0.00 C ATOM 923 C ALA A 60 14.627 -0.038 5.248 1.00 0.00 C ATOM 924 O ALA A 60 14.416 -0.160 6.450 1.00 0.00 O ATOM 925 CB ALA A 60 16.611 -1.232 4.292 1.00 0.00 C ATOM 0 H ALA A 60 15.069 -0.971 2.349 1.00 0.00 H new ATOM 0 HA ALA A 60 14.772 -2.127 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.066 -1.175 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.938 -2.145 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.916 -0.368 3.702 1.00 0.00 H new ATOM 931 N GLU A 61 14.696 1.145 4.652 1.00 0.00 N ATOM 932 CA GLU A 61 14.533 2.393 5.413 1.00 0.00 C ATOM 933 C GLU A 61 13.078 2.728 5.715 1.00 0.00 C ATOM 934 O GLU A 61 12.724 3.127 6.825 1.00 0.00 O ATOM 935 CB GLU A 61 15.135 3.552 4.619 1.00 0.00 C ATOM 936 CG GLU A 61 16.604 3.366 4.267 1.00 0.00 C ATOM 937 CD GLU A 61 17.504 3.340 5.486 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.353 2.439 6.340 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.361 4.236 5.605 1.00 0.00 O ATOM 0 H GLU A 61 14.862 1.275 3.654 1.00 0.00 H new ATOM 0 HA GLU A 61 15.044 2.246 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.566 3.683 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.024 4.470 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.725 2.435 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.919 4.174 3.606 1.00 0.00 H new ATOM 946 N LEU A 62 12.305 2.750 4.658 1.00 0.00 N ATOM 947 CA LEU A 62 10.940 3.253 4.675 1.00 0.00 C ATOM 948 C LEU A 62 9.962 2.495 5.579 1.00 0.00 C ATOM 949 O LEU A 62 9.143 3.131 6.246 1.00 0.00 O ATOM 950 CB LEU A 62 10.474 3.324 3.234 1.00 0.00 C ATOM 951 CG LEU A 62 9.049 2.887 2.914 1.00 0.00 C ATOM 952 CD1 LEU A 62 7.995 3.814 3.483 1.00 0.00 C ATOM 953 CD2 LEU A 62 8.926 2.814 1.429 1.00 0.00 C ATOM 0 H LEU A 62 12.605 2.415 3.743 1.00 0.00 H new ATOM 0 HA LEU A 62 10.949 4.240 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.590 4.354 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.151 2.715 2.635 1.00 0.00 H new ATOM 0 HG LEU A 62 8.871 1.918 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.004 3.445 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.090 3.851 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.131 4.815 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.916 2.503 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.130 3.794 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.643 2.091 1.040 1.00 0.00 H new ATOM 965 N PRO A 63 9.999 1.162 5.642 1.00 0.00 N ATOM 966 CA PRO A 63 9.071 0.413 6.491 1.00 0.00 C ATOM 967 C PRO A 63 9.208 0.809 7.945 1.00 0.00 C ATOM 968 O PRO A 63 8.217 0.946 8.668 1.00 0.00 O ATOM 969 CB PRO A 63 9.498 -1.036 6.298 1.00 0.00 C ATOM 970 CG PRO A 63 10.891 -0.953 5.793 1.00 0.00 C ATOM 971 CD PRO A 63 10.917 0.267 4.931 1.00 0.00 C ATOM 0 HA PRO A 63 8.030 0.598 6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.449 -1.592 7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.849 -1.549 5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.604 -0.872 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.159 -1.844 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.919 0.689 4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.578 0.057 3.916 1.00 0.00 H new ATOM 979 N LYS A 64 10.459 0.990 8.351 1.00 0.00 N ATOM 980 CA LYS A 64 10.791 1.358 9.716 1.00 0.00 C ATOM 981 C LYS A 64 10.076 2.635 10.112 1.00 0.00 C ATOM 982 O LYS A 64 9.631 2.784 11.251 1.00 0.00 O ATOM 983 CB LYS A 64 12.301 1.516 9.865 1.00 0.00 C ATOM 984 CG LYS A 64 13.055 0.233 9.575 1.00 0.00 C ATOM 985 CD LYS A 64 14.556 0.417 9.719 1.00 0.00 C ATOM 986 CE LYS A 64 15.092 1.483 8.770 1.00 0.00 C ATOM 987 NZ LYS A 64 16.573 1.600 8.830 1.00 0.00 N ATOM 0 H LYS A 64 11.270 0.885 7.741 1.00 0.00 H new ATOM 0 HA LYS A 64 10.458 0.563 10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.649 2.298 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.529 1.846 10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.718 -0.549 10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.825 -0.103 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.791 0.695 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.058 -0.530 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.790 1.243 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.644 2.445 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.955 1.671 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.832 2.451 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.969 0.760 9.298 1.00 0.00 H new ATOM 1001 N TYR A 65 9.943 3.540 9.154 1.00 0.00 N ATOM 1002 CA TYR A 65 9.252 4.788 9.389 1.00 0.00 C ATOM 1003 C TYR A 65 7.762 4.541 9.615 1.00 0.00 C ATOM 1004 O TYR A 65 7.152 5.204 10.456 1.00 0.00 O ATOM 1005 CB TYR A 65 9.538 5.792 8.239 1.00 0.00 C ATOM 1006 CG TYR A 65 8.376 6.202 7.329 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.213 6.778 7.842 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.471 6.059 5.942 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.184 7.177 7.013 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.443 6.472 5.111 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.304 7.023 5.653 1.00 0.00 C ATOM 1012 OH TYR A 65 5.287 7.445 4.828 1.00 0.00 O ATOM 0 H TYR A 65 10.307 3.429 8.208 1.00 0.00 H new ATOM 0 HA TYR A 65 9.631 5.246 10.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.949 6.699 8.683 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.318 5.364 7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.116 6.914 8.909 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.359 5.620 5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.287 7.609 7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.535 6.362 4.041 1.00 0.00 H new ATOM 0 HH TYR A 65 4.535 6.820 4.890 1.00 0.00 H new ATOM 1022 N ALA A 66 7.141 3.670 8.812 1.00 0.00 N ATOM 1023 CA ALA A 66 5.702 3.506 8.925 1.00 0.00 C ATOM 1024 C ALA A 66 5.304 2.690 10.149 1.00 0.00 C ATOM 1025 O ALA A 66 4.654 3.215 11.051 1.00 0.00 O ATOM 1026 CB ALA A 66 5.188 2.822 7.681 1.00 0.00 C ATOM 0 H ALA A 66 7.597 3.092 8.106 1.00 0.00 H new ATOM 0 HA ALA A 66 5.262 4.497 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.108 2.694 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.422 3.431 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.663 1.846 7.580 1.00 0.00 H new ATOM 1032 N ASN A 67 5.837 1.473 10.258 1.00 0.00 N ATOM 1033 CA ASN A 67 5.682 0.668 11.470 1.00 0.00 C ATOM 1034 C ASN A 67 6.495 -0.619 11.331 1.00 0.00 C ATOM 1035 O ASN A 67 7.289 -0.991 12.195 1.00 0.00 O ATOM 1036 CB ASN A 67 4.202 0.350 11.717 1.00 0.00 C ATOM 1037 CG ASN A 67 3.937 -0.301 13.061 1.00 0.00 C ATOM 1038 OD1 ASN A 67 4.455 -1.374 13.367 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.107 0.339 13.866 1.00 0.00 N ATOM 0 H ASN A 67 6.380 1.023 9.521 1.00 0.00 H new ATOM 0 HA ASN A 67 6.052 1.232 12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.625 1.272 11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.844 -0.309 10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.875 -0.055 14.778 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.698 1.227 13.575 1.00 0.00 H new ATOM 1046 N TRP A 68 6.204 -1.305 10.225 1.00 0.00 N ATOM 1047 CA TRP A 68 6.781 -2.603 9.866 1.00 0.00 C ATOM 1048 C TRP A 68 8.301 -2.581 9.750 1.00 0.00 C ATOM 1049 O TRP A 68 8.879 -1.612 9.291 1.00 0.00 O ATOM 1050 CB TRP A 68 6.210 -3.073 8.523 1.00 0.00 C ATOM 1051 CG TRP A 68 4.876 -3.756 8.586 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.598 -4.989 8.082 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.647 -3.270 9.146 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.284 -5.309 8.299 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.679 -4.276 8.954 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.268 -2.097 9.794 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.365 -4.141 9.386 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.961 -1.964 10.224 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.025 -2.982 10.019 1.00 0.00 C ATOM 0 H TRP A 68 5.539 -0.962 9.532 1.00 0.00 H new ATOM 0 HA TRP A 68 6.517 -3.283 10.676 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.125 -2.209 7.863 1.00 0.00 H new ATOM 0 HB3 TRP A 68 6.925 -3.755 8.064 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.313 -5.626 7.581 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.831 -6.178 8.017 1.00 0.00 H new ATOM 0 HE3 TRP A 68 3.983 -1.305 9.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.640 -4.925 9.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.658 -1.058 10.727 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.012 -2.848 10.369 1.00 0.00 H new ATOM 1070 N PRO A 69 8.952 -3.720 10.027 1.00 0.00 N ATOM 1071 CA PRO A 69 10.386 -3.876 9.788 1.00 0.00 C ATOM 1072 C PRO A 69 10.684 -3.775 8.290 1.00 0.00 C ATOM 1073 O PRO A 69 11.647 -3.130 7.874 1.00 0.00 O ATOM 1074 CB PRO A 69 10.704 -5.286 10.310 1.00 0.00 C ATOM 1075 CG PRO A 69 9.480 -5.736 11.039 1.00 0.00 C ATOM 1076 CD PRO A 69 8.331 -4.982 10.437 1.00 0.00 C ATOM 0 HA PRO A 69 10.983 -3.108 10.279 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.941 -5.963 9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.570 -5.272 10.972 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.338 -6.811 10.933 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.565 -5.529 12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.897 -5.514 9.590 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.529 -4.823 11.158 1.00 0.00 H new ATOM 1084 N THR A 70 9.788 -4.362 7.495 1.00 0.00 N ATOM 1085 CA THR A 70 9.844 -4.306 6.039 1.00 0.00 C ATOM 1086 C THR A 70 8.419 -4.204 5.468 1.00 0.00 C ATOM 1087 O THR A 70 7.648 -3.357 5.892 1.00 0.00 O ATOM 1088 CB THR A 70 10.587 -5.526 5.456 1.00 0.00 C ATOM 1089 OG1 THR A 70 9.982 -6.739 5.914 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.059 -5.509 5.850 1.00 0.00 C ATOM 0 H THR A 70 8.995 -4.895 7.851 1.00 0.00 H new ATOM 0 HA THR A 70 10.406 -3.418 5.749 1.00 0.00 H new ATOM 0 HB THR A 70 10.517 -5.474 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.461 -7.506 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.559 -6.380 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.527 -4.601 5.470 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.145 -5.534 6.936 1.00 0.00 H new ATOM 1098 N PHE A 71 8.064 -5.046 4.506 1.00 0.00 N ATOM 1099 CA PHE A 71 6.728 -4.986 3.905 1.00 0.00 C ATOM 1100 C PHE A 71 6.194 -6.412 3.723 1.00 0.00 C ATOM 1101 O PHE A 71 6.835 -7.353 4.198 1.00 0.00 O ATOM 1102 CB PHE A 71 6.788 -4.251 2.553 1.00 0.00 C ATOM 1103 CG PHE A 71 7.403 -2.880 2.606 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.771 -2.735 2.717 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.615 -1.740 2.557 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.345 -1.491 2.773 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.187 -0.485 2.615 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.553 -0.362 2.724 1.00 0.00 C ATOM 0 H PHE A 71 8.671 -5.772 4.125 1.00 0.00 H new ATOM 0 HA PHE A 71 6.055 -4.434 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.354 -4.861 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.776 -4.165 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.398 -3.613 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.543 -1.835 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.418 -1.395 2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.565 0.397 2.575 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.005 0.618 2.771 1.00 0.00 H new ATOM 1118 N PRO A 72 5.041 -6.646 3.034 1.00 0.00 N ATOM 1119 CA PRO A 72 4.175 -5.616 2.408 1.00 0.00 C ATOM 1120 C PRO A 72 3.481 -4.682 3.402 1.00 0.00 C ATOM 1121 O PRO A 72 3.200 -5.064 4.540 1.00 0.00 O ATOM 1122 CB PRO A 72 3.127 -6.431 1.647 1.00 0.00 C ATOM 1123 CG PRO A 72 3.101 -7.755 2.319 1.00 0.00 C ATOM 1124 CD PRO A 72 4.491 -7.998 2.832 1.00 0.00 C ATOM 0 HA PRO A 72 4.775 -4.950 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.150 -5.950 1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.392 -6.529 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.379 -7.762 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.802 -8.538 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.479 -8.566 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.086 -8.568 2.118 1.00 0.00 H new ATOM 1132 N GLN A 73 3.120 -3.490 2.922 1.00 0.00 N ATOM 1133 CA GLN A 73 2.356 -2.527 3.714 1.00 0.00 C ATOM 1134 C GLN A 73 1.340 -1.803 2.831 1.00 0.00 C ATOM 1135 O GLN A 73 1.683 -1.292 1.769 1.00 0.00 O ATOM 1136 CB GLN A 73 3.253 -1.460 4.329 1.00 0.00 C ATOM 1137 CG GLN A 73 4.409 -1.963 5.174 1.00 0.00 C ATOM 1138 CD GLN A 73 5.238 -0.806 5.713 1.00 0.00 C ATOM 1139 OE1 GLN A 73 6.212 -0.995 6.422 1.00 0.00 O ATOM 1140 NE2 GLN A 73 4.842 0.414 5.383 1.00 0.00 N ATOM 0 H GLN A 73 3.347 -3.168 1.981 1.00 0.00 H new ATOM 0 HA GLN A 73 1.864 -3.095 4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.658 -0.847 3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.636 -0.807 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.026 -2.557 6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.041 -2.620 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.023 0.541 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.356 1.227 5.724 1.00 0.00 H new ATOM 1149 N LEU A 74 0.116 -1.703 3.316 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.942 -0.969 2.626 1.00 0.00 C ATOM 1151 C LEU A 74 -1.004 0.462 3.157 1.00 0.00 C ATOM 1152 O LEU A 74 -0.946 0.675 4.369 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.278 -1.714 2.823 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.507 -1.196 2.050 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -4.020 0.125 2.602 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.173 -1.058 0.575 1.00 0.00 C ATOM 0 H LEU A 74 -0.178 -2.125 4.197 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.736 -0.914 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.124 -2.757 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.518 -1.697 3.886 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.305 -1.928 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.886 0.449 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.307 -0.004 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.235 0.878 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.047 -0.692 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.350 -0.354 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.882 -2.029 0.175 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.176 1.426 2.259 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.317 2.823 2.639 1.00 0.00 C ATOM 1170 C TRP A 75 -2.612 3.409 2.082 1.00 0.00 C ATOM 1171 O TRP A 75 -2.852 3.395 0.875 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.142 3.654 2.133 1.00 0.00 C ATOM 1173 CG TRP A 75 1.180 3.267 2.718 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.936 2.163 2.437 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.872 3.978 3.737 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.084 2.180 3.198 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.057 3.282 4.009 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.602 5.151 4.434 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.971 3.726 4.952 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.509 5.591 5.376 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.681 4.879 5.626 1.00 0.00 C ATOM 0 H TRP A 75 -1.221 1.261 1.254 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.338 2.859 3.728 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.087 3.563 1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.332 4.704 2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.673 1.394 1.726 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.831 1.486 3.163 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.697 5.708 4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.882 3.179 5.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.308 6.498 5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.375 5.246 6.368 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.389 4.016 2.953 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.601 4.716 2.550 1.00 0.00 C ATOM 1194 C VAL A 76 -4.403 6.214 2.732 1.00 0.00 C ATOM 1195 O VAL A 76 -4.126 6.656 3.844 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.805 4.253 3.404 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.077 4.977 3.007 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.996 2.753 3.297 1.00 0.00 C ATOM 0 H VAL A 76 -3.205 4.041 3.956 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.804 4.490 1.503 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.586 4.503 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.903 4.628 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.945 6.050 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.299 4.775 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.848 2.450 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.179 2.483 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.099 2.246 3.651 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.534 6.990 1.647 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.353 8.451 1.710 1.00 0.00 C ATOM 1210 C ASP A 77 -2.968 8.784 2.276 1.00 0.00 C ATOM 1211 O ASP A 77 -2.730 9.819 2.890 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.462 9.028 2.581 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.401 10.531 2.787 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -5.504 11.278 1.798 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.274 10.975 3.948 1.00 0.00 O ATOM 0 H ASP A 77 -4.763 6.635 0.719 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.412 8.890 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.423 8.777 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.428 8.541 3.556 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.063 7.859 2.058 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.701 8.000 2.538 1.00 0.00 C ATOM 1222 C GLY A 78 -0.565 7.713 4.023 1.00 0.00 C ATOM 1223 O GLY A 78 0.345 8.221 4.683 1.00 0.00 O ATOM 0 H GLY A 78 -2.243 6.994 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.053 7.323 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.353 9.013 2.335 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.430 6.848 4.535 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.369 6.431 5.930 1.00 0.00 C ATOM 1229 C GLU A 79 -1.310 4.912 6.025 1.00 0.00 C ATOM 1230 O GLU A 79 -2.014 4.214 5.294 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.565 6.965 6.715 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.651 8.481 6.718 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.758 9.006 7.602 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -4.935 8.699 7.342 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -3.447 9.729 8.573 1.00 0.00 O ATOM 0 H GLU A 79 -2.186 6.419 4.002 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.462 6.848 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.482 6.557 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.504 6.609 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.699 8.893 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.809 8.833 5.699 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.388 4.409 6.837 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.146 2.979 6.924 1.00 0.00 C ATOM 1244 C LEU A 80 -1.296 2.236 7.591 1.00 0.00 C ATOM 1245 O LEU A 80 -1.669 2.531 8.725 1.00 0.00 O ATOM 1246 CB LEU A 80 1.142 2.693 7.691 1.00 0.00 C ATOM 1247 CG LEU A 80 1.414 1.212 7.920 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.678 0.497 6.609 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.570 1.031 8.874 1.00 0.00 C ATOM 0 H LEU A 80 0.205 4.974 7.445 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.056 2.619 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.981 3.125 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.097 3.197 8.657 1.00 0.00 H new ATOM 0 HG LEU A 80 0.525 0.767 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.869 -0.559 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.808 0.595 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.547 0.940 6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.752 -0.033 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.463 1.495 8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.331 1.500 9.829 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.737 1.177 6.934 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.712 0.263 7.502 1.00 0.00 C ATOM 1263 C VAL A 81 -2.046 -1.071 7.862 1.00 0.00 C ATOM 1264 O VAL A 81 -2.114 -1.537 9.001 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.866 0.015 6.501 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.835 -1.025 7.023 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.608 1.309 6.197 1.00 0.00 C ATOM 0 H VAL A 81 -1.430 0.927 5.994 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.118 0.714 8.407 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.422 -0.361 5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.633 -1.176 6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.308 -1.966 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.262 -0.683 7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.414 1.109 5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.025 1.715 7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.917 2.031 5.763 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.411 -1.676 6.867 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.750 -2.962 7.045 1.00 0.00 C ATOM 1279 C GLY A 82 -0.886 -3.803 5.795 1.00 0.00 C ATOM 1280 O GLY A 82 -1.931 -3.767 5.167 1.00 0.00 O ATOM 0 H GLY A 82 -1.340 -1.294 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.304 -2.807 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.187 -3.488 7.894 1.00 0.00 H new ATOM 1284 N GLY A 83 0.211 -4.375 5.314 1.00 0.00 N ATOM 1285 CA GLY A 83 0.183 -4.987 3.991 1.00 0.00 C ATOM 1286 C GLY A 83 -0.310 -6.424 3.929 1.00 0.00 C ATOM 1287 O GLY A 83 -1.217 -6.728 3.169 1.00 0.00 O ATOM 0 H GLY A 83 1.105 -4.428 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.450 -4.379 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.190 -4.951 3.575 1.00 0.00 H new ATOM 1291 N CYS A 84 0.389 -7.339 4.580 1.00 0.00 N ATOM 1292 CA CYS A 84 0.088 -8.759 4.403 1.00 0.00 C ATOM 1293 C CYS A 84 -1.149 -9.206 5.178 1.00 0.00 C ATOM 1294 O CYS A 84 -2.138 -9.641 4.589 1.00 0.00 O ATOM 1295 CB CYS A 84 1.301 -9.599 4.810 1.00 0.00 C ATOM 1296 SG CYS A 84 1.998 -9.137 6.413 1.00 0.00 S ATOM 0 H CYS A 84 1.154 -7.136 5.224 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.134 -8.912 3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.012 -10.650 4.838 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.073 -9.501 4.046 1.00 0.00 H new ATOM 0 HG CYS A 84 3.017 -9.899 6.679 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.035 -9.199 6.494 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.078 -9.720 7.371 1.00 0.00 C ATOM 1304 C ASP A 85 -3.210 -8.717 7.528 1.00 0.00 C ATOM 1305 O ASP A 85 -4.389 -9.081 7.515 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.448 -10.063 8.728 1.00 0.00 C ATOM 1307 CG ASP A 85 -2.389 -10.759 9.691 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -3.403 -10.157 10.092 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -2.101 -11.916 10.065 1.00 0.00 O ATOM 0 H ASP A 85 -0.221 -8.834 6.988 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.510 -10.620 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.579 -10.700 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.086 -9.145 9.191 1.00 0.00 H new ATOM 1314 N ILE A 86 -2.837 -7.464 7.744 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.808 -6.410 7.993 1.00 0.00 C ATOM 1316 C ILE A 86 -4.805 -6.278 6.844 1.00 0.00 C ATOM 1317 O ILE A 86 -6.010 -6.191 7.081 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.115 -5.052 8.231 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.154 -5.134 9.422 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.154 -3.970 8.476 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.836 -5.439 10.738 1.00 0.00 C ATOM 0 H ILE A 86 -1.866 -7.152 7.752 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.351 -6.693 8.894 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.540 -4.800 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.409 -5.904 9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.619 -4.188 9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.654 -3.016 8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.808 -3.890 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.747 -4.227 9.354 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.091 -5.481 11.533 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.562 -4.657 10.962 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.347 -6.399 10.669 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.308 -6.255 5.607 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.183 -6.116 4.446 1.00 0.00 C ATOM 1335 C VAL A 87 -6.226 -7.214 4.400 1.00 0.00 C ATOM 1336 O VAL A 87 -7.404 -6.927 4.254 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.408 -6.107 3.107 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.360 -6.182 1.923 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.562 -4.858 2.991 1.00 0.00 C ATOM 0 H VAL A 87 -3.315 -6.330 5.386 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.672 -5.149 4.566 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.761 -6.984 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.788 -6.174 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.943 -7.101 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.033 -5.324 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.024 -4.869 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.204 -3.978 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.847 -4.825 3.813 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.796 -8.465 4.497 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.721 -9.588 4.425 1.00 0.00 C ATOM 1351 C ILE A 88 -7.768 -9.528 5.527 1.00 0.00 C ATOM 1352 O ILE A 88 -8.964 -9.631 5.250 1.00 0.00 O ATOM 1353 CB ILE A 88 -5.988 -10.940 4.491 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.053 -11.089 3.290 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -6.988 -12.093 4.542 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -5.761 -11.105 1.954 1.00 0.00 C ATOM 0 H ILE A 88 -4.819 -8.727 4.625 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.221 -9.508 3.460 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.392 -10.970 5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.335 -10.269 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.484 -12.012 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.450 -13.040 4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.617 -11.990 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.612 -12.074 3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.028 -11.214 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.459 -11.942 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.307 -10.171 1.821 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.335 -9.351 6.772 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.287 -9.280 7.874 1.00 0.00 C ATOM 1370 C GLU A 89 -9.241 -8.102 7.688 1.00 0.00 C ATOM 1371 O GLU A 89 -10.454 -8.259 7.781 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.579 -9.152 9.223 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.549 -9.074 10.395 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.861 -8.889 11.731 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.114 -7.902 11.887 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.094 -9.711 12.639 1.00 0.00 O ATOM 0 H GLU A 89 -6.355 -9.256 7.039 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.854 -10.211 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.916 -10.006 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.953 -8.260 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.239 -8.246 10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.146 -9.986 10.425 1.00 0.00 H new ATOM 1383 N MET A 90 -8.683 -6.921 7.455 1.00 0.00 N ATOM 1384 CA MET A 90 -9.474 -5.703 7.305 1.00 0.00 C ATOM 1385 C MET A 90 -10.382 -5.784 6.077 1.00 0.00 C ATOM 1386 O MET A 90 -11.535 -5.352 6.112 1.00 0.00 O ATOM 1387 CB MET A 90 -8.555 -4.490 7.247 1.00 0.00 C ATOM 1388 CG MET A 90 -9.298 -3.174 7.337 1.00 0.00 C ATOM 1389 SD MET A 90 -8.205 -1.756 7.500 1.00 0.00 S ATOM 1390 CE MET A 90 -7.425 -2.123 9.072 1.00 0.00 C ATOM 0 H MET A 90 -7.677 -6.779 7.365 1.00 0.00 H new ATOM 0 HA MET A 90 -10.123 -5.596 8.174 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.834 -4.549 8.062 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.987 -4.516 6.317 1.00 0.00 H new ATOM 0 HG2 MET A 90 -9.914 -3.050 6.446 1.00 0.00 H new ATOM 0 HG3 MET A 90 -9.975 -3.203 8.191 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.017 -1.207 9.498 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.163 -2.544 9.755 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.620 -2.842 8.920 1.00 0.00 H new ATOM 1400 N TYR A 91 -9.897 -6.477 5.061 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.687 -6.819 3.878 1.00 0.00 C ATOM 1402 C TYR A 91 -11.931 -7.598 4.271 1.00 0.00 C ATOM 1403 O TYR A 91 -13.044 -7.230 3.903 1.00 0.00 O ATOM 1404 CB TYR A 91 -9.804 -7.658 2.948 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.522 -8.577 1.988 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.292 -8.091 0.953 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.379 -9.948 2.110 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -11.916 -8.930 0.070 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -10.993 -10.808 1.233 1.00 0.00 C ATOM 1410 CZ TYR A 91 -11.768 -10.297 0.208 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.396 -11.148 -0.673 1.00 0.00 O ATOM 0 H TYR A 91 -8.938 -6.823 5.028 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.014 -5.911 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.178 -6.980 2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.136 -8.261 3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.405 -7.023 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.774 -10.349 2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.520 -8.526 -0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.872 -11.876 1.343 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.188 -12.076 -0.436 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.731 -8.656 5.038 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.835 -9.480 5.510 1.00 0.00 C ATOM 1423 C GLN A 92 -13.762 -8.656 6.405 1.00 0.00 C ATOM 1424 O GLN A 92 -14.986 -8.744 6.300 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.299 -10.706 6.252 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.365 -11.553 5.399 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.833 -12.772 6.126 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.218 -12.664 7.189 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.050 -13.942 5.547 1.00 0.00 N ATOM 0 H GLN A 92 -10.811 -8.967 5.349 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.412 -9.828 4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.770 -10.380 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.137 -11.319 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.894 -11.875 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.526 -10.939 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.564 -13.988 4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.704 -14.798 5.981 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.152 -7.789 7.212 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.874 -6.844 8.063 1.00 0.00 C ATOM 1440 C ARG A 93 -14.765 -5.920 7.227 1.00 0.00 C ATOM 1441 O ARG A 93 -15.755 -5.379 7.721 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.884 -5.977 8.849 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.948 -6.741 9.772 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.690 -7.407 10.913 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.348 -6.431 11.785 1.00 0.00 N ATOM 1446 CZ ARG A 93 -14.064 -6.762 12.858 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -14.285 -8.041 13.143 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.577 -5.813 13.630 1.00 0.00 N ATOM 0 H ARG A 93 -12.138 -7.722 7.294 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.494 -7.425 8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.284 -5.405 8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.447 -5.257 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.412 -7.497 9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.201 -6.058 10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.435 -8.093 10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.992 -8.004 11.500 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.252 -5.441 11.557 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.906 -8.771 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.834 -8.293 13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.423 -4.831 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.126 -6.065 14.452 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.298 -5.615 6.018 1.00 0.00 N ATOM 1463 CA GLY A 94 -14.938 -4.612 5.178 1.00 0.00 C ATOM 1464 C GLY A 94 -14.602 -3.205 5.635 1.00 0.00 C ATOM 1465 O GLY A 94 -15.237 -2.231 5.239 1.00 0.00 O ATOM 0 H GLY A 94 -13.476 -6.051 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.620 -4.745 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.018 -4.754 5.200 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.550 -3.112 6.428 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.037 -1.842 6.926 1.00 0.00 C ATOM 1471 C GLU A 95 -11.982 -1.283 5.978 1.00 0.00 C ATOM 1472 O GLU A 95 -11.787 -0.077 5.900 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.474 -2.051 8.329 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.514 -2.608 9.291 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.937 -3.007 10.630 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -11.722 -2.845 10.831 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.704 -3.512 11.479 1.00 0.00 O ATOM 0 H GLU A 95 -13.020 -3.922 6.749 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.844 -1.111 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.625 -2.733 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.098 -1.102 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.292 -1.861 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.992 -3.476 8.836 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.311 -2.173 5.254 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.279 -1.772 4.300 1.00 0.00 C ATOM 1486 C LEU A 96 -10.890 -0.868 3.244 1.00 0.00 C ATOM 1487 O LEU A 96 -10.505 0.284 3.085 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.685 -3.020 3.640 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.576 -2.770 2.620 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.366 -2.130 3.280 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.196 -4.073 1.935 1.00 0.00 C ATOM 0 H LEU A 96 -11.463 -3.180 5.309 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.489 -1.230 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.293 -3.670 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.490 -3.565 3.147 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.947 -2.076 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.590 -1.962 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.655 -1.177 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.984 -2.791 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.405 -3.885 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.843 -4.786 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.067 -4.483 1.424 1.00 0.00 H new ATOM 1503 N GLN A 97 -11.942 -1.381 2.646 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.777 -0.640 1.702 1.00 0.00 C ATOM 1505 C GLN A 97 -13.487 0.536 2.359 1.00 0.00 C ATOM 1506 O GLN A 97 -13.747 1.538 1.721 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.793 -1.582 1.065 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.517 -2.467 2.065 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.437 -3.460 1.391 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.422 -3.088 0.757 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.102 -4.733 1.496 1.00 0.00 N ATOM 0 H GLN A 97 -12.254 -2.340 2.799 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.122 -0.229 0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.528 -0.992 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.283 -2.213 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.785 -3.004 2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.096 -1.844 2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.276 -5.001 2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.669 -5.449 1.041 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.726 0.444 3.649 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.311 1.524 4.391 1.00 0.00 C ATOM 1522 C GLN A 98 -13.363 2.717 4.396 1.00 0.00 C ATOM 1523 O GLN A 98 -13.759 3.847 4.109 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.625 0.995 5.787 1.00 0.00 C ATOM 1525 CG GLN A 98 -14.685 2.041 6.861 1.00 0.00 C ATOM 1526 CD GLN A 98 -15.765 3.103 6.670 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -16.628 2.923 5.681 1.00 0.00 O flip ATOM 1528 NE2 GLN A 98 -15.840 4.064 7.436 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.518 -0.384 4.207 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.237 1.880 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.581 0.473 5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.869 0.259 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.848 1.547 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -13.716 2.537 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.158 4.172 8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.584 4.752 7.319 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.098 2.426 4.624 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.050 3.437 4.560 1.00 0.00 C ATOM 1539 C LEU A 99 -10.825 3.884 3.122 1.00 0.00 C ATOM 1540 O LEU A 99 -10.685 5.081 2.843 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.738 2.870 5.109 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.843 2.129 6.440 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.473 1.643 6.881 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.462 3.014 7.508 1.00 0.00 C ATOM 0 H LEU A 99 -11.764 1.491 4.858 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.366 4.290 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.319 2.190 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.030 3.690 5.226 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.493 1.265 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.562 1.116 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.067 0.967 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.805 2.496 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.525 2.462 8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.844 3.900 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.462 3.315 7.196 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.732 2.907 2.222 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.456 3.185 0.820 1.00 0.00 C ATOM 1558 C ILE A 100 -11.560 4.051 0.230 1.00 0.00 C ATOM 1559 O ILE A 100 -11.283 5.000 -0.486 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.314 1.893 -0.026 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.195 0.994 0.517 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.040 2.242 -1.485 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.824 1.636 0.514 1.00 0.00 C ATOM 0 H ILE A 100 -10.844 1.917 2.442 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.503 3.712 0.785 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.254 1.345 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.444 0.700 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.157 0.081 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.943 1.325 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.865 2.835 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.116 2.815 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.092 0.933 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.550 1.905 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.841 2.533 1.133 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.806 3.702 0.516 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.956 4.415 -0.015 1.00 0.00 C ATOM 1577 C LYS A 101 -13.916 5.890 0.314 1.00 0.00 C ATOM 1578 O LYS A 101 -14.094 6.731 -0.565 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.250 3.791 0.508 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.493 4.568 0.132 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.758 3.798 0.470 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.832 3.430 1.942 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.071 2.669 2.252 1.00 0.00 N ATOM 0 H LYS A 101 -13.047 2.918 1.122 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.922 4.325 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.336 2.775 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.194 3.715 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.497 5.524 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.475 4.789 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.628 4.398 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.800 2.890 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.960 2.834 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.800 4.336 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.042 2.346 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.899 3.282 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.140 1.845 1.621 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.672 6.207 1.568 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.608 7.593 1.981 1.00 0.00 C ATOM 1599 C GLU A 102 -12.496 8.321 1.229 1.00 0.00 C ATOM 1600 O GLU A 102 -12.663 9.462 0.792 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.381 7.674 3.490 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.295 9.096 4.016 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.098 9.148 5.514 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -13.969 8.647 6.251 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -12.065 9.688 5.962 1.00 0.00 O ATOM 0 H GLU A 102 -13.516 5.529 2.314 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.554 8.079 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.193 7.155 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.460 7.147 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.469 9.612 3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.207 9.633 3.754 1.00 0.00 H new ATOM 1612 N THR A 103 -11.353 7.667 1.128 1.00 0.00 N ATOM 1613 CA THR A 103 -10.181 8.248 0.499 1.00 0.00 C ATOM 1614 C THR A 103 -10.274 8.283 -1.031 1.00 0.00 C ATOM 1615 O THR A 103 -10.035 9.317 -1.649 1.00 0.00 O ATOM 1616 CB THR A 103 -8.936 7.466 0.924 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.867 7.421 2.356 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.684 8.107 0.370 1.00 0.00 C ATOM 0 H THR A 103 -11.211 6.720 1.479 1.00 0.00 H new ATOM 0 HA THR A 103 -10.117 9.284 0.833 1.00 0.00 H new ATOM 0 HB THR A 103 -9.006 6.453 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.413 6.678 2.687 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.812 7.534 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.734 8.122 -0.719 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.602 9.128 0.744 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.568 7.151 -1.640 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.619 7.056 -3.091 1.00 0.00 C ATOM 1628 C ALA A 104 -11.675 7.987 -3.665 1.00 0.00 C ATOM 1629 O ALA A 104 -11.423 8.693 -4.634 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.891 5.626 -3.522 1.00 0.00 C ATOM 0 H ALA A 104 -10.776 6.279 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.648 7.362 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.926 5.574 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.096 4.977 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.846 5.298 -3.113 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.858 7.988 -3.061 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.950 8.832 -3.533 1.00 0.00 C ATOM 1638 C ALA A 105 -13.567 10.307 -3.518 1.00 0.00 C ATOM 1639 O ALA A 105 -13.933 11.055 -4.418 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.207 8.600 -2.711 1.00 0.00 C ATOM 0 H ALA A 105 -13.085 7.417 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.154 8.552 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -16.007 9.240 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.509 7.556 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -15.007 8.837 -1.666 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.845 10.736 -2.492 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.448 12.133 -2.402 1.00 0.00 C ATOM 1648 C LYS A 106 -11.315 12.449 -3.380 1.00 0.00 C ATOM 1649 O LYS A 106 -11.202 13.576 -3.860 1.00 0.00 O ATOM 1650 CB LYS A 106 -12.123 12.549 -0.950 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.936 11.856 -0.291 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.594 12.423 -0.737 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.516 13.919 -0.478 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.219 14.502 -0.911 1.00 0.00 N ATOM 0 H LYS A 106 -12.527 10.147 -1.722 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.301 12.742 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.941 13.624 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.006 12.368 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.022 11.950 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.969 10.791 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.788 11.917 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.448 12.227 -1.799 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.330 14.419 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.660 14.109 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.214 15.523 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.442 14.045 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.092 14.346 -1.931 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.508 11.443 -3.722 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.441 11.642 -4.698 1.00 0.00 C ATOM 1670 C TYR A 107 -9.958 11.586 -6.131 1.00 0.00 C ATOM 1671 O TYR A 107 -9.648 12.458 -6.940 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.289 10.647 -4.525 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.326 10.988 -3.413 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -6.309 11.904 -3.639 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.388 10.375 -2.164 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -5.392 12.209 -2.659 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.480 10.678 -1.184 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.481 11.598 -1.432 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.564 11.906 -0.458 1.00 0.00 O ATOM 0 H TYR A 107 -10.572 10.498 -3.344 1.00 0.00 H new ATOM 0 HA TYR A 107 -9.054 12.643 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.706 9.658 -4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.735 10.586 -5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.235 12.387 -4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.163 9.650 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.607 12.925 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.546 10.198 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.672 11.292 0.298 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.785 10.594 -6.428 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.392 10.476 -7.746 1.00 0.00 C ATOM 1691 C LYS A 108 -12.532 11.482 -7.885 1.00 0.00 C ATOM 1692 O LYS A 108 -12.687 12.373 -7.048 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.905 9.041 -7.984 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.818 8.027 -8.239 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.964 7.807 -7.021 1.00 0.00 C ATOM 1696 CE LYS A 108 -8.758 7.007 -7.378 1.00 0.00 C ATOM 1697 NZ LYS A 108 -9.100 5.638 -7.856 1.00 0.00 N ATOM 0 H LYS A 108 -11.051 9.858 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.635 10.693 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.483 8.726 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.586 9.048 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -11.267 7.082 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.193 8.364 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.662 8.766 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -10.539 7.290 -6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.197 7.529 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.106 6.932 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.632 4.932 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.130 5.502 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.777 5.522 -8.838 1.00 0.00 H new ATOM 1711 N SER A 109 -13.453 11.177 -8.774 1.00 0.00 N ATOM 1712 CA SER A 109 -14.728 11.870 -8.818 1.00 0.00 C ATOM 1713 C SER A 109 -15.650 11.242 -7.779 1.00 0.00 C ATOM 1714 O SER A 109 -15.175 10.648 -6.813 1.00 0.00 O ATOM 1715 CB SER A 109 -15.309 11.777 -10.233 1.00 0.00 C ATOM 1716 OG SER A 109 -15.419 10.427 -10.656 1.00 0.00 O ATOM 0 H SER A 109 -13.344 10.450 -9.481 1.00 0.00 H new ATOM 0 HA SER A 109 -14.610 12.928 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.291 12.249 -10.257 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.673 12.327 -10.927 1.00 0.00 H new ATOM 0 HG SER A 109 -15.794 10.397 -11.561 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.935 11.220 -8.049 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.867 10.481 -7.196 1.00 0.00 C ATOM 1724 C GLU A 110 -17.783 8.973 -7.470 1.00 0.00 C ATOM 1725 O GLU A 110 -18.803 8.297 -7.606 1.00 0.00 O ATOM 1726 CB GLU A 110 -19.298 10.982 -7.381 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.489 12.432 -6.971 1.00 0.00 C ATOM 1728 CD GLU A 110 -20.931 12.872 -7.073 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -21.497 12.804 -8.180 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -21.504 13.282 -6.042 1.00 0.00 O ATOM 0 H GLU A 110 -17.366 11.697 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.579 10.657 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.582 10.868 -8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.972 10.356 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.142 12.566 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.871 13.070 -7.603 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.560 8.460 -7.537 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.311 7.043 -7.778 1.00 0.00 C ATOM 1739 C GLU A 111 -16.751 6.181 -6.602 1.00 0.00 C ATOM 1740 O GLU A 111 -16.399 6.452 -5.454 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.823 6.821 -8.076 1.00 0.00 C ATOM 1742 CG GLU A 111 -14.401 7.359 -9.436 1.00 0.00 C ATOM 1743 CD GLU A 111 -15.083 6.646 -10.591 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -15.832 5.676 -10.349 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -14.862 7.043 -11.755 1.00 0.00 O ATOM 0 H GLU A 111 -15.712 9.015 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.904 6.740 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.227 7.302 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.604 5.754 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.630 8.424 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.321 7.260 -9.541 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.545 5.134 -6.874 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.036 4.238 -5.838 1.00 0.00 C ATOM 1754 C PRO A 112 -17.017 3.168 -5.452 1.00 0.00 C ATOM 1755 O PRO A 112 -16.805 2.198 -6.183 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.261 3.602 -6.491 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.948 3.583 -7.950 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.030 4.750 -8.213 1.00 0.00 C ATOM 0 HA PRO A 112 -18.248 4.764 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.434 2.595 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.163 4.180 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.470 2.644 -8.231 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.859 3.667 -8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.207 4.470 -8.870 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.558 5.572 -8.697 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.502 3.276 -4.242 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.642 2.248 -3.676 1.00 0.00 C ATOM 1768 C ASP A 113 -16.522 1.211 -2.973 1.00 0.00 C ATOM 1769 O ASP A 113 -17.357 0.575 -3.620 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.627 2.874 -2.722 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.589 1.883 -2.252 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -12.749 1.482 -3.071 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -13.644 1.477 -1.075 1.00 0.00 O ATOM 0 H ASP A 113 -16.665 4.072 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.074 1.751 -4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.131 3.707 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.150 3.285 -1.858 1.00 0.00 H new ATOM 1778 N ALA A 114 -16.361 1.058 -1.659 1.00 0.00 N ATOM 1779 CA ALA A 114 -17.162 0.125 -0.864 1.00 0.00 C ATOM 1780 C ALA A 114 -18.622 0.568 -0.726 1.00 0.00 C ATOM 1781 O ALA A 114 -19.225 0.403 0.339 1.00 0.00 O ATOM 1782 CB ALA A 114 -16.570 0.005 0.527 1.00 0.00 C ATOM 0 H ALA A 114 -15.672 1.577 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 114 -17.144 -0.831 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -17.167 -0.690 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.547 -0.365 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -16.570 0.983 1.008 1.00 0.00 H new ATOM 1788 N GLU A 115 -19.194 1.102 -1.787 1.00 0.00 N ATOM 1789 CA GLU A 115 -20.581 1.520 -1.767 1.00 0.00 C ATOM 1790 C GLU A 115 -21.066 1.740 -3.193 1.00 0.00 C ATOM 1791 O GLU A 115 -21.271 0.738 -3.908 1.00 0.00 O ATOM 1792 CB GLU A 115 -20.746 2.787 -0.924 1.00 0.00 C ATOM 1793 CG GLU A 115 -22.196 3.191 -0.712 1.00 0.00 C ATOM 1794 CD GLU A 115 -22.994 2.123 0.004 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -22.655 1.798 1.158 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -23.959 1.596 -0.589 1.00 0.00 O ATOM 1797 OXT GLU A 115 -21.213 2.911 -3.606 1.00 0.00 O ATOM 0 H GLU A 115 -18.718 1.257 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 115 -21.188 0.738 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.275 2.632 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.216 3.607 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -22.232 4.115 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -22.657 3.399 -1.677 1.00 0.00 H new TER 1804 GLU A 115