USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -177:sc= -1.85 (180deg=-1.87) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.0127 (180deg=-0.0592) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -6:sc= 0.661 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 72:sc= 0.883 USER MOD Single : A 42 GLN : amide:sc= -0.0982 X(o=-0.098,f=-0.3) USER MOD Single : A 43 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 55 CYS SG : rot -172:sc= -0.689! USER MOD Single : A 58 THR OG1 : rot -17:sc= 0.632 USER MOD Single : A 59 GLN : amide:sc= -5.19! C(o=-5.2!,f=-6.9!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0795 USER MOD Single : A 69 GLN : amide:sc= -0.471 K(o=-0.47,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0.0554 (180deg=0.0487) USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.332 USER MOD Single : A 78 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.38) USER MOD Single : A 86 THR OG1 : rot 180:sc= -1 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 3:sc= 0.243 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 97 GLN : amide:sc= -0.939 X(o=-0.94,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.767 -4.291 7.104 1.00 0.00 N ATOM 2 CA MET A 1 7.369 -4.637 5.719 1.00 0.00 C ATOM 3 C MET A 1 7.923 -6.003 5.312 1.00 0.00 C ATOM 4 O MET A 1 8.932 -6.469 5.856 1.00 0.00 O ATOM 5 CB MET A 1 7.818 -3.531 4.710 1.00 0.00 C ATOM 6 CG MET A 1 9.217 -2.935 4.971 1.00 0.00 C ATOM 7 SD MET A 1 10.576 -4.118 4.878 1.00 0.00 S ATOM 8 CE MET A 1 10.606 -4.524 3.140 1.00 0.00 C ATOM 0 H1 MET A 1 7.685 -3.264 7.242 1.00 0.00 H new ATOM 0 H2 MET A 1 7.144 -4.782 7.777 1.00 0.00 H new ATOM 0 H3 MET A 1 8.752 -4.584 7.266 1.00 0.00 H new ATOM 0 HA MET A 1 6.281 -4.694 5.692 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.801 -3.950 3.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.086 -2.723 4.731 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.397 -2.139 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.222 -2.475 5.959 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.365 -5.285 2.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.630 -4.905 2.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.841 -3.631 2.562 1.00 0.00 H new ATOM 18 N LEU A 2 7.244 -6.638 4.351 1.00 0.00 N ATOM 19 CA LEU A 2 7.697 -7.880 3.710 1.00 0.00 C ATOM 20 C LEU A 2 8.049 -7.578 2.251 1.00 0.00 C ATOM 21 O LEU A 2 7.517 -6.623 1.664 1.00 0.00 O ATOM 22 CB LEU A 2 6.602 -8.989 3.846 1.00 0.00 C ATOM 23 CG LEU A 2 5.129 -8.624 3.412 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.904 -8.740 1.886 1.00 0.00 C ATOM 25 CD2 LEU A 2 4.098 -9.472 4.183 1.00 0.00 C ATOM 0 H LEU A 2 6.352 -6.300 3.991 1.00 0.00 H new ATOM 0 HA LEU A 2 8.590 -8.263 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.921 -9.849 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.575 -9.308 4.888 1.00 0.00 H new ATOM 0 HG LEU A 2 4.983 -7.575 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.873 -8.477 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.580 -8.062 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.100 -9.763 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.092 -9.200 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.270 -10.529 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.202 -9.288 5.252 1.00 0.00 H new ATOM 37 N LEU A 3 8.970 -8.362 1.688 1.00 0.00 N ATOM 38 CA LEU A 3 9.375 -8.246 0.280 1.00 0.00 C ATOM 39 C LEU A 3 8.247 -8.731 -0.638 1.00 0.00 C ATOM 40 O LEU A 3 7.979 -9.937 -0.719 1.00 0.00 O ATOM 41 CB LEU A 3 10.679 -9.064 0.037 1.00 0.00 C ATOM 42 CG LEU A 3 12.024 -8.401 0.493 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.943 -7.752 1.888 1.00 0.00 C ATOM 44 CD2 LEU A 3 13.178 -9.420 0.438 1.00 0.00 C ATOM 0 H LEU A 3 9.460 -9.099 2.195 1.00 0.00 H new ATOM 0 HA LEU A 3 9.574 -7.199 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.581 -10.021 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.751 -9.280 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 3 12.221 -7.593 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.908 -7.312 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.180 -6.974 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.684 -8.510 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.103 -8.940 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.956 -10.257 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.293 -9.785 -0.583 1.00 0.00 H new ATOM 56 N HIS A 4 7.552 -7.763 -1.266 1.00 0.00 N ATOM 57 CA HIS A 4 6.571 -7.996 -2.353 1.00 0.00 C ATOM 58 C HIS A 4 7.086 -8.995 -3.425 1.00 0.00 C ATOM 59 O HIS A 4 6.295 -9.716 -4.040 1.00 0.00 O ATOM 60 CB HIS A 4 6.233 -6.623 -3.000 1.00 0.00 C ATOM 61 CG HIS A 4 5.104 -6.635 -4.003 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.819 -6.274 -3.675 1.00 0.00 N ATOM 63 CD2 HIS A 4 5.076 -6.946 -5.325 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.052 -6.366 -4.740 1.00 0.00 C ATOM 65 NE2 HIS A 4 3.787 -6.771 -5.757 1.00 0.00 N ATOM 0 H HIS A 4 7.656 -6.776 -1.030 1.00 0.00 H new ATOM 0 HA HIS A 4 5.679 -8.452 -1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.983 -5.919 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.128 -6.243 -3.492 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.914 -7.271 -5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.995 -6.146 -4.775 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.452 -6.928 -6.708 1.00 0.00 H new ATOM 74 N SER A 5 8.410 -9.019 -3.627 1.00 0.00 N ATOM 75 CA SER A 5 9.076 -9.947 -4.549 1.00 0.00 C ATOM 76 C SER A 5 10.572 -10.035 -4.211 1.00 0.00 C ATOM 77 O SER A 5 11.180 -9.041 -3.796 1.00 0.00 O ATOM 78 CB SER A 5 8.872 -9.502 -6.015 1.00 0.00 C ATOM 79 OG SER A 5 9.247 -8.154 -6.214 1.00 0.00 O ATOM 0 H SER A 5 9.055 -8.389 -3.150 1.00 0.00 H new ATOM 0 HA SER A 5 8.631 -10.936 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.458 -10.143 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.826 -9.632 -6.292 1.00 0.00 H new ATOM 0 HG SER A 5 9.105 -7.910 -7.153 1.00 0.00 H new ATOM 85 N VAL A 6 11.143 -11.240 -4.360 1.00 0.00 N ATOM 86 CA VAL A 6 12.590 -11.477 -4.252 1.00 0.00 C ATOM 87 C VAL A 6 12.962 -12.670 -5.142 1.00 0.00 C ATOM 88 O VAL A 6 12.230 -13.669 -5.194 1.00 0.00 O ATOM 89 CB VAL A 6 13.064 -11.725 -2.760 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.442 -13.004 -2.139 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.615 -11.743 -2.658 1.00 0.00 C ATOM 0 H VAL A 6 10.608 -12.085 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 6 13.105 -10.577 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 6 12.695 -10.885 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.801 -13.124 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.356 -12.914 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.731 -13.873 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.910 -11.915 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.012 -12.541 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.013 -10.785 -2.994 1.00 0.00 H new ATOM 101 N GLU A 7 14.077 -12.547 -5.868 1.00 0.00 N ATOM 102 CA GLU A 7 14.583 -13.617 -6.727 1.00 0.00 C ATOM 103 C GLU A 7 15.399 -14.611 -5.887 1.00 0.00 C ATOM 104 O GLU A 7 16.140 -14.221 -4.976 1.00 0.00 O ATOM 105 CB GLU A 7 15.433 -13.031 -7.876 1.00 0.00 C ATOM 106 CG GLU A 7 14.656 -12.061 -8.784 1.00 0.00 C ATOM 107 CD GLU A 7 15.543 -11.390 -9.844 1.00 0.00 C ATOM 108 OE1 GLU A 7 16.380 -10.542 -9.470 1.00 0.00 O ATOM 109 OE2 GLU A 7 15.418 -11.712 -11.043 1.00 0.00 O ATOM 0 H GLU A 7 14.652 -11.704 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 7 13.742 -14.147 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.292 -12.510 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.823 -13.849 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.852 -12.603 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.189 -11.292 -8.169 1.00 0.00 H new ATOM 116 N THR A 8 15.223 -15.890 -6.204 1.00 0.00 N ATOM 117 CA THR A 8 15.871 -17.029 -5.531 1.00 0.00 C ATOM 118 C THR A 8 16.442 -17.972 -6.617 1.00 0.00 C ATOM 119 O THR A 8 15.997 -17.908 -7.769 1.00 0.00 O ATOM 120 CB THR A 8 14.841 -17.808 -4.635 1.00 0.00 C ATOM 121 OG1 THR A 8 13.714 -18.218 -5.425 1.00 0.00 O ATOM 122 CG2 THR A 8 14.354 -16.963 -3.449 1.00 0.00 C ATOM 0 H THR A 8 14.605 -16.180 -6.962 1.00 0.00 H new ATOM 0 HA THR A 8 16.669 -16.664 -4.884 1.00 0.00 H new ATOM 0 HB THR A 8 15.355 -18.682 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.792 -17.842 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.644 -17.541 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.205 -16.686 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.867 -16.061 -3.820 1.00 0.00 H new ATOM 130 N PRO A 9 17.438 -18.862 -6.296 1.00 0.00 N ATOM 131 CA PRO A 9 17.997 -19.829 -7.289 1.00 0.00 C ATOM 132 C PRO A 9 16.957 -20.885 -7.766 1.00 0.00 C ATOM 133 O PRO A 9 17.189 -21.599 -8.747 1.00 0.00 O ATOM 134 CB PRO A 9 19.189 -20.473 -6.522 1.00 0.00 C ATOM 135 CG PRO A 9 18.839 -20.301 -5.071 1.00 0.00 C ATOM 136 CD PRO A 9 18.137 -18.965 -4.982 1.00 0.00 C ATOM 0 HA PRO A 9 18.299 -19.344 -8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.305 -21.526 -6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.130 -19.980 -6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.193 -21.108 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.732 -20.318 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.435 -18.933 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.843 -18.148 -4.836 1.00 0.00 H new ATOM 144 N ARG A 10 15.808 -20.958 -7.066 1.00 0.00 N ATOM 145 CA ARG A 10 14.704 -21.892 -7.398 1.00 0.00 C ATOM 146 C ARG A 10 13.533 -21.204 -8.152 1.00 0.00 C ATOM 147 O ARG A 10 12.583 -21.888 -8.562 1.00 0.00 O ATOM 148 CB ARG A 10 14.189 -22.590 -6.109 1.00 0.00 C ATOM 149 CG ARG A 10 13.914 -21.645 -4.921 1.00 0.00 C ATOM 150 CD ARG A 10 13.357 -22.385 -3.687 1.00 0.00 C ATOM 151 NE ARG A 10 14.085 -23.644 -3.382 1.00 0.00 N ATOM 152 CZ ARG A 10 15.243 -23.757 -2.711 1.00 0.00 C ATOM 153 NH1 ARG A 10 15.928 -22.692 -2.322 1.00 0.00 N ATOM 154 NH2 ARG A 10 15.729 -24.960 -2.459 1.00 0.00 N ATOM 0 H ARG A 10 15.615 -20.373 -6.253 1.00 0.00 H new ATOM 0 HA ARG A 10 15.113 -22.639 -8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.271 -23.127 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.922 -23.335 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.837 -21.134 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.205 -20.877 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.408 -21.724 -2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.304 -22.613 -3.852 1.00 0.00 H new ATOM 0 HE ARG A 10 13.662 -24.510 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.579 -21.757 -2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.805 -22.807 -1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.226 -25.790 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.608 -25.059 -1.950 1.00 0.00 H new ATOM 168 N GLY A 11 13.608 -19.873 -8.334 1.00 0.00 N ATOM 169 CA GLY A 11 12.561 -19.111 -9.043 1.00 0.00 C ATOM 170 C GLY A 11 12.435 -17.695 -8.506 1.00 0.00 C ATOM 171 O GLY A 11 13.420 -17.122 -8.060 1.00 0.00 O ATOM 0 H GLY A 11 14.384 -19.301 -8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.793 -19.077 -10.107 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.605 -19.625 -8.942 1.00 0.00 H new ATOM 175 N GLU A 12 11.228 -17.120 -8.548 1.00 0.00 N ATOM 176 CA GLU A 12 10.932 -15.829 -7.894 1.00 0.00 C ATOM 177 C GLU A 12 9.830 -16.054 -6.861 1.00 0.00 C ATOM 178 O GLU A 12 8.915 -16.847 -7.084 1.00 0.00 O ATOM 179 CB GLU A 12 10.519 -14.734 -8.916 1.00 0.00 C ATOM 180 CG GLU A 12 10.317 -13.336 -8.281 1.00 0.00 C ATOM 181 CD GLU A 12 9.998 -12.239 -9.304 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.821 -12.107 -9.705 1.00 0.00 O ATOM 183 OE2 GLU A 12 10.917 -11.501 -9.714 1.00 0.00 O ATOM 0 H GLU A 12 10.429 -17.529 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 12 11.837 -15.465 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.283 -14.665 -9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.594 -15.038 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.507 -13.390 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.219 -13.060 -7.734 1.00 0.00 H new ATOM 190 N ILE A 13 9.924 -15.340 -5.736 1.00 0.00 N ATOM 191 CA ILE A 13 9.114 -15.588 -4.539 1.00 0.00 C ATOM 192 C ILE A 13 8.413 -14.278 -4.136 1.00 0.00 C ATOM 193 O ILE A 13 9.074 -13.292 -3.792 1.00 0.00 O ATOM 194 CB ILE A 13 10.018 -16.130 -3.365 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.817 -17.408 -3.794 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.183 -16.408 -2.102 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.983 -18.600 -4.241 1.00 0.00 C ATOM 0 H ILE A 13 10.575 -14.562 -5.629 1.00 0.00 H new ATOM 0 HA ILE A 13 8.362 -16.348 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 13 10.742 -15.350 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.489 -17.135 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.440 -17.720 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.833 -16.780 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.702 -15.486 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.421 -17.154 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.643 -19.424 -4.513 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.329 -18.912 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.379 -18.318 -5.104 1.00 0.00 H new ATOM 209 N LEU A 14 7.071 -14.280 -4.209 1.00 0.00 N ATOM 210 CA LEU A 14 6.232 -13.086 -3.980 1.00 0.00 C ATOM 211 C LEU A 14 5.667 -13.070 -2.545 1.00 0.00 C ATOM 212 O LEU A 14 5.470 -14.134 -1.952 1.00 0.00 O ATOM 213 CB LEU A 14 5.074 -13.067 -5.017 1.00 0.00 C ATOM 214 CG LEU A 14 5.502 -13.196 -6.520 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.276 -13.217 -7.452 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.493 -12.082 -6.928 1.00 0.00 C ATOM 0 H LEU A 14 6.531 -15.117 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 14 6.848 -12.195 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.388 -13.881 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.518 -12.137 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 14 6.019 -14.150 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.607 -13.307 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.641 -14.066 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.711 -12.293 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.767 -12.204 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.024 -11.108 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.388 -12.147 -6.309 1.00 0.00 H new ATOM 228 N ASN A 15 5.382 -11.836 -2.041 1.00 0.00 N ATOM 229 CA ASN A 15 4.832 -11.543 -0.681 1.00 0.00 C ATOM 230 C ASN A 15 5.417 -12.455 0.423 1.00 0.00 C ATOM 231 O ASN A 15 4.734 -13.319 0.987 1.00 0.00 O ATOM 232 CB ASN A 15 3.263 -11.490 -0.678 1.00 0.00 C ATOM 233 CG ASN A 15 2.568 -12.772 -1.166 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.203 -13.643 -0.376 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.378 -12.888 -2.473 1.00 0.00 N ATOM 0 H ASN A 15 5.533 -10.988 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 15 5.171 -10.540 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.924 -11.274 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.941 -10.659 -1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.918 -13.717 -2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.692 -12.149 -3.102 1.00 0.00 H new ATOM 242 N VAL A 16 6.716 -12.255 0.701 1.00 0.00 N ATOM 243 CA VAL A 16 7.486 -13.083 1.637 1.00 0.00 C ATOM 244 C VAL A 16 8.335 -12.194 2.562 1.00 0.00 C ATOM 245 O VAL A 16 8.826 -11.145 2.144 1.00 0.00 O ATOM 246 CB VAL A 16 8.398 -14.105 0.848 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.476 -13.387 -0.004 1.00 0.00 C ATOM 248 CG2 VAL A 16 9.045 -15.151 1.790 1.00 0.00 C ATOM 0 H VAL A 16 7.264 -11.506 0.277 1.00 0.00 H new ATOM 0 HA VAL A 16 6.791 -13.653 2.253 1.00 0.00 H new ATOM 0 HB VAL A 16 7.739 -14.639 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.079 -14.129 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.991 -12.735 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.117 -12.792 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.663 -15.833 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.664 -14.642 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.263 -15.715 2.299 1.00 0.00 H new ATOM 258 N SER A 17 8.475 -12.606 3.829 1.00 0.00 N ATOM 259 CA SER A 17 9.350 -11.936 4.800 1.00 0.00 C ATOM 260 C SER A 17 10.811 -12.385 4.594 1.00 0.00 C ATOM 261 O SER A 17 11.071 -13.474 4.074 1.00 0.00 O ATOM 262 CB SER A 17 8.877 -12.240 6.232 1.00 0.00 C ATOM 263 OG SER A 17 9.681 -11.587 7.199 1.00 0.00 O ATOM 0 H SER A 17 7.984 -13.415 4.210 1.00 0.00 H new ATOM 0 HA SER A 17 9.300 -10.858 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.840 -11.924 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.903 -13.316 6.403 1.00 0.00 H new ATOM 0 HG SER A 17 9.351 -11.801 8.097 1.00 0.00 H new ATOM 269 N GLU A 18 11.740 -11.535 5.043 1.00 0.00 N ATOM 270 CA GLU A 18 13.193 -11.709 4.847 1.00 0.00 C ATOM 271 C GLU A 18 13.739 -12.990 5.509 1.00 0.00 C ATOM 272 O GLU A 18 14.693 -13.592 4.998 1.00 0.00 O ATOM 273 CB GLU A 18 13.926 -10.458 5.374 1.00 0.00 C ATOM 274 CG GLU A 18 13.538 -9.173 4.621 1.00 0.00 C ATOM 275 CD GLU A 18 14.227 -7.909 5.143 1.00 0.00 C ATOM 276 OE1 GLU A 18 15.463 -7.823 5.051 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.548 -7.004 5.667 1.00 0.00 O ATOM 0 H GLU A 18 11.505 -10.690 5.563 1.00 0.00 H new ATOM 0 HA GLU A 18 13.376 -11.825 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.704 -10.333 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.002 -10.611 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.780 -9.296 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.458 -9.038 4.686 1.00 0.00 H new ATOM 284 N GLN A 19 13.115 -13.408 6.628 1.00 0.00 N ATOM 285 CA GLN A 19 13.506 -14.638 7.337 1.00 0.00 C ATOM 286 C GLN A 19 13.151 -15.871 6.490 1.00 0.00 C ATOM 287 O GLN A 19 14.035 -16.647 6.138 1.00 0.00 O ATOM 288 CB GLN A 19 12.836 -14.715 8.730 1.00 0.00 C ATOM 289 CG GLN A 19 13.103 -16.025 9.507 1.00 0.00 C ATOM 290 CD GLN A 19 12.358 -16.101 10.839 1.00 0.00 C ATOM 291 OE1 GLN A 19 12.871 -15.684 11.876 1.00 0.00 O ATOM 292 NE2 GLN A 19 11.140 -16.618 10.825 1.00 0.00 N ATOM 0 H GLN A 19 12.337 -12.909 7.059 1.00 0.00 H new ATOM 0 HA GLN A 19 14.585 -14.619 7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.184 -13.875 9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.760 -14.595 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.812 -16.873 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.173 -16.118 9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.740 -16.956 9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.602 -16.678 11.689 1.00 0.00 H new ATOM 301 N GLU A 20 11.854 -16.000 6.146 1.00 0.00 N ATOM 302 CA GLU A 20 11.320 -17.149 5.378 1.00 0.00 C ATOM 303 C GLU A 20 12.001 -17.286 4.007 1.00 0.00 C ATOM 304 O GLU A 20 12.363 -18.393 3.593 1.00 0.00 O ATOM 305 CB GLU A 20 9.780 -17.015 5.209 1.00 0.00 C ATOM 306 CG GLU A 20 9.152 -18.060 4.265 1.00 0.00 C ATOM 307 CD GLU A 20 7.623 -18.011 4.211 1.00 0.00 C ATOM 308 OE1 GLU A 20 7.072 -16.962 3.856 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.964 -19.030 4.503 1.00 0.00 O ATOM 0 H GLU A 20 11.144 -15.310 6.392 1.00 0.00 H new ATOM 0 HA GLU A 20 11.539 -18.055 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.310 -17.099 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.553 -16.018 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.546 -17.910 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.462 -19.055 4.583 1.00 0.00 H new ATOM 316 N ALA A 21 12.113 -16.152 3.296 1.00 0.00 N ATOM 317 CA ALA A 21 12.827 -16.071 2.012 1.00 0.00 C ATOM 318 C ALA A 21 14.226 -16.727 2.070 1.00 0.00 C ATOM 319 O ALA A 21 14.569 -17.522 1.207 1.00 0.00 O ATOM 320 CB ALA A 21 12.927 -14.608 1.574 1.00 0.00 C ATOM 0 H ALA A 21 11.710 -15.264 3.596 1.00 0.00 H new ATOM 0 HA ALA A 21 12.254 -16.634 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.456 -14.548 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.926 -14.193 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.471 -14.039 2.328 1.00 0.00 H new ATOM 326 N ARG A 22 15.013 -16.398 3.103 1.00 0.00 N ATOM 327 CA ARG A 22 16.382 -16.940 3.273 1.00 0.00 C ATOM 328 C ARG A 22 16.385 -18.364 3.866 1.00 0.00 C ATOM 329 O ARG A 22 17.253 -19.174 3.528 1.00 0.00 O ATOM 330 CB ARG A 22 17.228 -15.969 4.132 1.00 0.00 C ATOM 331 CG ARG A 22 17.454 -14.611 3.444 1.00 0.00 C ATOM 332 CD ARG A 22 18.334 -13.646 4.247 1.00 0.00 C ATOM 333 NE ARG A 22 17.699 -13.188 5.491 1.00 0.00 N ATOM 334 CZ ARG A 22 18.132 -12.163 6.242 1.00 0.00 C ATOM 335 NH1 ARG A 22 19.228 -11.488 5.914 1.00 0.00 N ATOM 336 NH2 ARG A 22 17.471 -11.838 7.336 1.00 0.00 N ATOM 0 H ARG A 22 14.729 -15.755 3.842 1.00 0.00 H new ATOM 0 HA ARG A 22 16.832 -17.024 2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.730 -15.809 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.193 -16.428 4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.913 -14.780 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.487 -14.141 3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 22 19.277 -14.137 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.573 -12.781 3.628 1.00 0.00 H new ATOM 0 HE ARG A 22 16.867 -13.686 5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.755 -11.746 5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.542 -10.712 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.639 -12.364 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.792 -11.061 7.914 1.00 0.00 H new ATOM 350 N ASP A 23 15.406 -18.659 4.739 1.00 0.00 N ATOM 351 CA ASP A 23 15.355 -19.928 5.509 1.00 0.00 C ATOM 352 C ASP A 23 14.849 -21.081 4.633 1.00 0.00 C ATOM 353 O ASP A 23 15.512 -22.108 4.494 1.00 0.00 O ATOM 354 CB ASP A 23 14.455 -19.774 6.770 1.00 0.00 C ATOM 355 CG ASP A 23 14.316 -21.080 7.579 1.00 0.00 C ATOM 356 OD1 ASP A 23 15.301 -21.503 8.219 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.224 -21.690 7.577 1.00 0.00 O ATOM 0 H ASP A 23 14.627 -18.031 4.935 1.00 0.00 H new ATOM 0 HA ASP A 23 16.369 -20.162 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.871 -18.998 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.465 -19.437 6.463 1.00 0.00 H new ATOM 362 N VAL A 24 13.652 -20.893 4.069 1.00 0.00 N ATOM 363 CA VAL A 24 12.999 -21.880 3.199 1.00 0.00 C ATOM 364 C VAL A 24 13.520 -21.741 1.756 1.00 0.00 C ATOM 365 O VAL A 24 14.155 -22.653 1.218 1.00 0.00 O ATOM 366 CB VAL A 24 11.428 -21.692 3.234 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.692 -22.762 2.387 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.901 -21.682 4.692 1.00 0.00 C ATOM 0 H VAL A 24 13.103 -20.044 4.204 1.00 0.00 H new ATOM 0 HA VAL A 24 13.237 -22.879 3.564 1.00 0.00 H new ATOM 0 HB VAL A 24 11.213 -20.723 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.617 -22.593 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.018 -22.692 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.923 -23.754 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.819 -21.551 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.150 -22.627 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.363 -20.861 5.240 1.00 0.00 H new ATOM 378 N PHE A 25 13.285 -20.560 1.160 1.00 0.00 N ATOM 379 CA PHE A 25 13.468 -20.339 -0.294 1.00 0.00 C ATOM 380 C PHE A 25 14.937 -20.087 -0.685 1.00 0.00 C ATOM 381 O PHE A 25 15.251 -20.024 -1.884 1.00 0.00 O ATOM 382 CB PHE A 25 12.568 -19.169 -0.752 1.00 0.00 C ATOM 383 CG PHE A 25 11.086 -19.394 -0.446 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.371 -20.398 -1.106 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.409 -18.618 0.497 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.032 -20.609 -0.833 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.069 -18.833 0.761 1.00 0.00 C ATOM 388 CZ PHE A 25 8.382 -19.827 0.098 1.00 0.00 C ATOM 0 H PHE A 25 12.965 -19.733 1.664 1.00 0.00 H new ATOM 0 HA PHE A 25 13.174 -21.255 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.898 -18.252 -0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.693 -19.021 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.870 -21.016 -1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.939 -17.840 1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.494 -21.389 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.559 -18.220 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.336 -19.993 0.308 1.00 0.00 H new ATOM 398 N GLY A 26 15.818 -19.939 0.326 1.00 0.00 N ATOM 399 CA GLY A 26 17.262 -19.810 0.108 1.00 0.00 C ATOM 400 C GLY A 26 17.661 -18.580 -0.702 1.00 0.00 C ATOM 401 O GLY A 26 18.502 -18.666 -1.607 1.00 0.00 O ATOM 0 H GLY A 26 15.544 -19.906 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.763 -19.773 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.623 -20.702 -0.404 1.00 0.00 H new ATOM 405 N ALA A 27 17.042 -17.436 -0.376 1.00 0.00 N ATOM 406 CA ALA A 27 17.324 -16.156 -1.033 1.00 0.00 C ATOM 407 C ALA A 27 18.647 -15.572 -0.526 1.00 0.00 C ATOM 408 O ALA A 27 18.965 -15.668 0.669 1.00 0.00 O ATOM 409 CB ALA A 27 16.170 -15.169 -0.797 1.00 0.00 C ATOM 0 H ALA A 27 16.331 -17.375 0.352 1.00 0.00 H new ATOM 0 HA ALA A 27 17.416 -16.329 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.393 -14.223 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.248 -15.583 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.049 -15.000 0.273 1.00 0.00 H new ATOM 415 N SER A 28 19.414 -14.985 -1.450 1.00 0.00 N ATOM 416 CA SER A 28 20.660 -14.285 -1.142 1.00 0.00 C ATOM 417 C SER A 28 20.354 -12.998 -0.359 1.00 0.00 C ATOM 418 O SER A 28 19.381 -12.309 -0.669 1.00 0.00 O ATOM 419 CB SER A 28 21.414 -13.949 -2.451 1.00 0.00 C ATOM 420 OG SER A 28 22.615 -13.234 -2.196 1.00 0.00 O ATOM 0 H SER A 28 19.182 -14.984 -2.443 1.00 0.00 H new ATOM 0 HA SER A 28 21.291 -14.929 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.645 -14.871 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 28 20.769 -13.358 -3.101 1.00 0.00 H new ATOM 0 HG SER A 28 23.066 -13.040 -3.044 1.00 0.00 H new ATOM 426 N GLU A 29 21.223 -12.666 0.614 1.00 0.00 N ATOM 427 CA GLU A 29 21.053 -11.469 1.471 1.00 0.00 C ATOM 428 C GLU A 29 21.240 -10.186 0.638 1.00 0.00 C ATOM 429 O GLU A 29 20.724 -9.127 0.992 1.00 0.00 O ATOM 430 CB GLU A 29 22.033 -11.500 2.675 1.00 0.00 C ATOM 431 CG GLU A 29 21.856 -12.732 3.578 1.00 0.00 C ATOM 432 CD GLU A 29 22.641 -12.659 4.898 1.00 0.00 C ATOM 433 OE1 GLU A 29 23.881 -12.769 4.876 1.00 0.00 O ATOM 434 OE2 GLU A 29 22.021 -12.485 5.969 1.00 0.00 O ATOM 0 H GLU A 29 22.057 -13.212 0.830 1.00 0.00 H new ATOM 0 HA GLU A 29 20.040 -11.475 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.057 -11.478 2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.892 -10.599 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.797 -12.855 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.170 -13.620 3.029 1.00 0.00 H new ATOM 441 N GLN A 30 21.975 -10.327 -0.479 1.00 0.00 N ATOM 442 CA GLN A 30 22.137 -9.281 -1.500 1.00 0.00 C ATOM 443 C GLN A 30 20.783 -8.969 -2.175 1.00 0.00 C ATOM 444 O GLN A 30 20.438 -7.795 -2.385 1.00 0.00 O ATOM 445 CB GLN A 30 23.161 -9.761 -2.552 1.00 0.00 C ATOM 446 CG GLN A 30 24.572 -10.027 -1.987 1.00 0.00 C ATOM 447 CD GLN A 30 25.499 -10.718 -2.984 1.00 0.00 C ATOM 448 OE1 GLN A 30 26.201 -10.071 -3.760 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.503 -12.039 -2.969 1.00 0.00 N ATOM 0 H GLN A 30 22.480 -11.185 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 30 22.498 -8.367 -1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.789 -10.675 -3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.233 -9.012 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 30 25.018 -9.081 -1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.488 -10.643 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 30 24.908 -12.543 -2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.101 -12.555 -3.615 1.00 0.00 H new ATOM 458 N ALA A 31 20.016 -10.036 -2.487 1.00 0.00 N ATOM 459 CA ALA A 31 18.701 -9.921 -3.142 1.00 0.00 C ATOM 460 C ALA A 31 17.705 -9.299 -2.153 1.00 0.00 C ATOM 461 O ALA A 31 17.049 -8.300 -2.457 1.00 0.00 O ATOM 462 CB ALA A 31 18.228 -11.309 -3.633 1.00 0.00 C ATOM 0 H ALA A 31 20.293 -10.998 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 31 18.772 -9.274 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.255 -11.212 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.949 -11.708 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.146 -11.987 -2.783 1.00 0.00 H new ATOM 468 N ILE A 32 17.595 -9.946 -0.980 1.00 0.00 N ATOM 469 CA ILE A 32 16.923 -9.405 0.230 1.00 0.00 C ATOM 470 C ILE A 32 17.260 -7.923 0.546 1.00 0.00 C ATOM 471 O ILE A 32 16.397 -7.195 1.043 1.00 0.00 O ATOM 472 CB ILE A 32 17.296 -10.311 1.471 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.930 -11.804 1.213 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.646 -9.824 2.785 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.458 -12.092 1.033 1.00 0.00 C ATOM 0 H ILE A 32 17.977 -10.881 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 32 15.853 -9.426 0.024 1.00 0.00 H new ATOM 0 HB ILE A 32 18.376 -10.227 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.460 -12.141 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.299 -12.400 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.938 -10.484 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.980 -8.809 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.561 -9.834 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.314 -13.159 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.917 -11.794 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.079 -11.531 0.178 1.00 0.00 H new ATOM 487 N ALA A 33 18.482 -7.473 0.218 1.00 0.00 N ATOM 488 CA ALA A 33 18.917 -6.098 0.534 1.00 0.00 C ATOM 489 C ALA A 33 18.263 -5.104 -0.452 1.00 0.00 C ATOM 490 O ALA A 33 17.625 -4.131 -0.033 1.00 0.00 O ATOM 491 CB ALA A 33 20.448 -5.994 0.505 1.00 0.00 C ATOM 0 H ALA A 33 19.184 -8.035 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 33 18.593 -5.843 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.748 -4.973 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.873 -6.676 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.812 -6.259 -0.488 1.00 0.00 H new ATOM 497 N ASP A 34 18.441 -5.378 -1.766 1.00 0.00 N ATOM 498 CA ASP A 34 17.798 -4.613 -2.867 1.00 0.00 C ATOM 499 C ASP A 34 16.266 -4.590 -2.750 1.00 0.00 C ATOM 500 O ASP A 34 15.651 -3.545 -2.948 1.00 0.00 O ATOM 501 CB ASP A 34 18.196 -5.194 -4.256 1.00 0.00 C ATOM 502 CG ASP A 34 19.620 -4.813 -4.679 1.00 0.00 C ATOM 503 OD1 ASP A 34 19.810 -3.703 -5.226 1.00 0.00 O ATOM 504 OD2 ASP A 34 20.562 -5.597 -4.462 1.00 0.00 O ATOM 0 H ASP A 34 19.036 -6.138 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 34 18.161 -3.589 -2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.110 -6.280 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.492 -4.838 -5.008 1.00 0.00 H new ATOM 509 N ALA A 35 15.672 -5.747 -2.426 1.00 0.00 N ATOM 510 CA ALA A 35 14.207 -5.925 -2.408 1.00 0.00 C ATOM 511 C ALA A 35 13.576 -5.279 -1.156 1.00 0.00 C ATOM 512 O ALA A 35 12.443 -4.794 -1.230 1.00 0.00 O ATOM 513 CB ALA A 35 13.849 -7.415 -2.517 1.00 0.00 C ATOM 0 H ALA A 35 16.190 -6.587 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 35 13.789 -5.412 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.765 -7.531 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.244 -7.817 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.283 -7.956 -1.676 1.00 0.00 H new ATOM 519 N ARG A 36 14.308 -5.285 -0.012 1.00 0.00 N ATOM 520 CA ARG A 36 13.905 -4.513 1.191 1.00 0.00 C ATOM 521 C ARG A 36 13.838 -3.023 0.827 1.00 0.00 C ATOM 522 O ARG A 36 12.807 -2.361 1.025 1.00 0.00 O ATOM 523 CB ARG A 36 14.892 -4.702 2.382 1.00 0.00 C ATOM 524 CG ARG A 36 14.621 -3.741 3.577 1.00 0.00 C ATOM 525 CD ARG A 36 15.761 -3.689 4.609 1.00 0.00 C ATOM 526 NE ARG A 36 15.830 -4.891 5.447 1.00 0.00 N ATOM 527 CZ ARG A 36 16.144 -4.918 6.752 1.00 0.00 C ATOM 528 NH1 ARG A 36 16.483 -3.807 7.404 1.00 0.00 N ATOM 529 NH2 ARG A 36 16.116 -6.073 7.396 1.00 0.00 N ATOM 0 H ARG A 36 15.174 -5.812 0.102 1.00 0.00 H new ATOM 0 HA ARG A 36 12.932 -4.885 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.830 -5.732 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.911 -4.547 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.449 -2.737 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.704 -4.051 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.710 -3.561 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.627 -2.815 5.247 1.00 0.00 H new ATOM 0 HE ARG A 36 15.621 -5.784 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.507 -2.914 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.718 -3.849 8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.858 -6.927 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.352 -6.110 8.388 1.00 0.00 H new ATOM 543 N LYS A 37 14.974 -2.537 0.291 1.00 0.00 N ATOM 544 CA LYS A 37 15.136 -1.160 -0.188 1.00 0.00 C ATOM 545 C LYS A 37 14.040 -0.788 -1.190 1.00 0.00 C ATOM 546 O LYS A 37 13.511 0.305 -1.132 1.00 0.00 O ATOM 547 CB LYS A 37 16.520 -0.994 -0.872 1.00 0.00 C ATOM 548 CG LYS A 37 16.768 0.400 -1.518 1.00 0.00 C ATOM 549 CD LYS A 37 17.925 0.399 -2.533 1.00 0.00 C ATOM 550 CE LYS A 37 17.627 -0.492 -3.757 1.00 0.00 C ATOM 551 NZ LYS A 37 18.724 -0.460 -4.745 1.00 0.00 N ATOM 0 H LYS A 37 15.815 -3.103 0.179 1.00 0.00 H new ATOM 0 HA LYS A 37 15.063 -0.499 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.299 -1.180 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.623 -1.759 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.856 0.730 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.983 1.125 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.114 1.419 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.834 0.049 -2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.466 -1.518 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.703 -0.160 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.483 -1.072 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.862 0.515 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.601 -0.801 -4.301 1.00 0.00 H new ATOM 565 N ALA A 38 13.679 -1.738 -2.074 1.00 0.00 N ATOM 566 CA ALA A 38 12.792 -1.468 -3.213 1.00 0.00 C ATOM 567 C ALA A 38 11.331 -1.410 -2.752 1.00 0.00 C ATOM 568 O ALA A 38 10.550 -0.621 -3.284 1.00 0.00 O ATOM 569 CB ALA A 38 12.973 -2.534 -4.306 1.00 0.00 C ATOM 0 H ALA A 38 13.994 -2.707 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 38 13.059 -0.499 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.307 -2.316 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.006 -2.526 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.735 -3.517 -3.899 1.00 0.00 H new ATOM 575 N THR A 39 10.971 -2.263 -1.759 1.00 0.00 N ATOM 576 CA THR A 39 9.624 -2.261 -1.152 1.00 0.00 C ATOM 577 C THR A 39 9.394 -0.923 -0.429 1.00 0.00 C ATOM 578 O THR A 39 8.390 -0.271 -0.663 1.00 0.00 O ATOM 579 CB THR A 39 9.412 -3.458 -0.154 1.00 0.00 C ATOM 580 OG1 THR A 39 9.617 -4.712 -0.817 1.00 0.00 O ATOM 581 CG2 THR A 39 7.995 -3.458 0.459 1.00 0.00 C ATOM 0 H THR A 39 11.601 -2.961 -1.364 1.00 0.00 H new ATOM 0 HA THR A 39 8.898 -2.385 -1.955 1.00 0.00 H new ATOM 0 HB THR A 39 10.142 -3.328 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.572 -4.831 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.894 -4.302 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.835 -2.528 1.005 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.255 -3.544 -0.336 1.00 0.00 H new ATOM 589 N ILE A 40 10.387 -0.521 0.402 1.00 0.00 N ATOM 590 CA ILE A 40 10.381 0.772 1.125 1.00 0.00 C ATOM 591 C ILE A 40 10.261 1.943 0.132 1.00 0.00 C ATOM 592 O ILE A 40 9.316 2.719 0.208 1.00 0.00 O ATOM 593 CB ILE A 40 11.673 0.927 2.031 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.591 -0.013 3.272 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.919 2.396 2.479 1.00 0.00 C ATOM 596 CD1 ILE A 40 10.443 0.312 4.221 1.00 0.00 C ATOM 0 H ILE A 40 11.215 -1.086 0.589 1.00 0.00 H new ATOM 0 HA ILE A 40 9.512 0.789 1.783 1.00 0.00 H new ATOM 0 HB ILE A 40 12.524 0.635 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.485 -1.042 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.531 0.045 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.816 2.443 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.050 3.027 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.063 2.749 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.454 -0.386 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.557 1.329 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.496 0.225 3.689 1.00 0.00 H new ATOM 608 N LEU A 41 11.204 1.988 -0.818 1.00 0.00 N ATOM 609 CA LEU A 41 11.299 3.023 -1.874 1.00 0.00 C ATOM 610 C LEU A 41 9.973 3.173 -2.639 1.00 0.00 C ATOM 611 O LEU A 41 9.544 4.289 -2.949 1.00 0.00 O ATOM 612 CB LEU A 41 12.517 2.670 -2.805 1.00 0.00 C ATOM 613 CG LEU A 41 12.578 3.271 -4.264 1.00 0.00 C ATOM 614 CD1 LEU A 41 14.040 3.508 -4.713 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.868 2.342 -5.293 1.00 0.00 C ATOM 0 H LEU A 41 11.945 1.290 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 41 11.479 4.001 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.425 2.978 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.555 1.585 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 41 12.056 4.227 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.048 3.922 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.522 4.207 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.581 2.562 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.929 2.786 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.356 1.367 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.822 2.222 -5.013 1.00 0.00 H new ATOM 627 N GLN A 42 9.303 2.040 -2.891 1.00 0.00 N ATOM 628 CA GLN A 42 8.045 2.016 -3.643 1.00 0.00 C ATOM 629 C GLN A 42 6.880 2.437 -2.727 1.00 0.00 C ATOM 630 O GLN A 42 5.982 3.150 -3.151 1.00 0.00 O ATOM 631 CB GLN A 42 7.822 0.606 -4.255 1.00 0.00 C ATOM 632 CG GLN A 42 6.634 0.498 -5.226 1.00 0.00 C ATOM 633 CD GLN A 42 6.727 1.432 -6.432 1.00 0.00 C ATOM 634 OE1 GLN A 42 7.817 1.746 -6.920 1.00 0.00 O ATOM 635 NE2 GLN A 42 5.582 1.899 -6.910 1.00 0.00 N ATOM 0 H GLN A 42 9.617 1.121 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 42 8.093 2.729 -4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.729 0.307 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.674 -0.106 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.561 -0.530 -5.581 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.714 0.714 -4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.699 1.619 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.584 2.538 -7.705 1.00 0.00 H new ATOM 644 N THR A 43 6.954 2.032 -1.443 1.00 0.00 N ATOM 645 CA THR A 43 5.945 2.368 -0.415 1.00 0.00 C ATOM 646 C THR A 43 5.941 3.895 -0.140 1.00 0.00 C ATOM 647 O THR A 43 4.888 4.478 0.119 1.00 0.00 O ATOM 648 CB THR A 43 6.200 1.534 0.899 1.00 0.00 C ATOM 649 OG1 THR A 43 6.038 0.128 0.615 1.00 0.00 O ATOM 650 CG2 THR A 43 5.262 1.911 2.058 1.00 0.00 C ATOM 0 H THR A 43 7.719 1.459 -1.087 1.00 0.00 H new ATOM 0 HA THR A 43 4.956 2.100 -0.786 1.00 0.00 H new ATOM 0 HB THR A 43 7.217 1.764 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.826 -0.201 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.495 1.298 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.398 2.963 2.309 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.228 1.740 1.759 1.00 0.00 H new ATOM 658 N LEU A 44 7.121 4.542 -0.297 1.00 0.00 N ATOM 659 CA LEU A 44 7.276 6.009 -0.134 1.00 0.00 C ATOM 660 C LEU A 44 6.444 6.781 -1.192 1.00 0.00 C ATOM 661 O LEU A 44 6.126 7.954 -0.998 1.00 0.00 O ATOM 662 CB LEU A 44 8.774 6.449 -0.193 1.00 0.00 C ATOM 663 CG LEU A 44 9.769 5.747 0.804 1.00 0.00 C ATOM 664 CD1 LEU A 44 11.147 6.442 0.811 1.00 0.00 C ATOM 665 CD2 LEU A 44 9.198 5.620 2.239 1.00 0.00 C ATOM 0 H LEU A 44 7.989 4.064 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 44 6.896 6.259 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.136 6.280 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.818 7.523 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 44 9.904 4.731 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.809 5.931 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.578 6.405 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.029 7.481 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.930 5.128 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.980 6.613 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.282 5.030 2.215 1.00 0.00 H new ATOM 677 N ARG A 45 6.142 6.120 -2.333 1.00 0.00 N ATOM 678 CA ARG A 45 5.314 6.706 -3.411 1.00 0.00 C ATOM 679 C ARG A 45 3.962 5.958 -3.598 1.00 0.00 C ATOM 680 O ARG A 45 3.152 6.361 -4.440 1.00 0.00 O ATOM 681 CB ARG A 45 6.133 6.744 -4.729 1.00 0.00 C ATOM 682 CG ARG A 45 6.597 5.361 -5.255 1.00 0.00 C ATOM 683 CD ARG A 45 7.448 5.463 -6.529 1.00 0.00 C ATOM 684 NE ARG A 45 6.734 6.181 -7.601 1.00 0.00 N ATOM 685 CZ ARG A 45 7.299 6.919 -8.569 1.00 0.00 C ATOM 686 NH1 ARG A 45 8.621 7.032 -8.670 1.00 0.00 N ATOM 687 NH2 ARG A 45 6.523 7.538 -9.439 1.00 0.00 N ATOM 0 H ARG A 45 6.463 5.172 -2.531 1.00 0.00 H new ATOM 0 HA ARG A 45 5.053 7.724 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.530 7.225 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.012 7.370 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.173 4.857 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.723 4.742 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.381 5.979 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.711 4.463 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 45 5.716 6.110 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.226 6.552 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.029 7.598 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.509 7.452 -9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.937 8.103 -10.181 1.00 0.00 H new ATOM 701 N ILE A 46 3.725 4.879 -2.815 1.00 0.00 N ATOM 702 CA ILE A 46 2.427 4.144 -2.809 1.00 0.00 C ATOM 703 C ILE A 46 1.483 4.735 -1.743 1.00 0.00 C ATOM 704 O ILE A 46 0.342 5.092 -2.068 1.00 0.00 O ATOM 705 CB ILE A 46 2.598 2.583 -2.571 1.00 0.00 C ATOM 706 CG1 ILE A 46 3.222 1.889 -3.822 1.00 0.00 C ATOM 707 CG2 ILE A 46 1.256 1.892 -2.190 1.00 0.00 C ATOM 708 CD1 ILE A 46 3.405 0.381 -3.684 1.00 0.00 C ATOM 0 H ILE A 46 4.418 4.492 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 46 1.994 4.270 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 46 3.279 2.470 -1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.588 2.088 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.192 2.343 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.426 0.826 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.868 2.332 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.533 2.033 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.844 -0.017 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.065 0.170 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.437 -0.089 -3.512 1.00 0.00 H new ATOM 720 N GLU A 47 1.992 4.840 -0.486 1.00 0.00 N ATOM 721 CA GLU A 47 1.226 5.308 0.714 1.00 0.00 C ATOM 722 C GLU A 47 0.361 6.538 0.406 1.00 0.00 C ATOM 723 O GLU A 47 -0.809 6.579 0.785 1.00 0.00 O ATOM 724 CB GLU A 47 2.198 5.660 1.874 1.00 0.00 C ATOM 725 CG GLU A 47 2.814 4.485 2.640 1.00 0.00 C ATOM 726 CD GLU A 47 1.803 3.769 3.543 1.00 0.00 C ATOM 727 OE1 GLU A 47 1.468 4.319 4.622 1.00 0.00 O ATOM 728 OE2 GLU A 47 1.333 2.677 3.185 1.00 0.00 O ATOM 0 H GLU A 47 2.959 4.600 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 47 0.569 4.488 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.010 6.262 1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.663 6.287 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.228 3.771 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.643 4.848 3.247 1.00 0.00 H new ATOM 735 N ARG A 48 0.966 7.515 -0.305 1.00 0.00 N ATOM 736 CA ARG A 48 0.288 8.760 -0.692 1.00 0.00 C ATOM 737 C ARG A 48 -1.012 8.467 -1.469 1.00 0.00 C ATOM 738 O ARG A 48 -2.092 8.848 -1.031 1.00 0.00 O ATOM 739 CB ARG A 48 1.234 9.710 -1.498 1.00 0.00 C ATOM 740 CG ARG A 48 1.876 9.110 -2.765 1.00 0.00 C ATOM 741 CD ARG A 48 2.685 10.146 -3.561 1.00 0.00 C ATOM 742 NE ARG A 48 3.799 10.716 -2.776 1.00 0.00 N ATOM 743 CZ ARG A 48 5.097 10.655 -3.115 1.00 0.00 C ATOM 744 NH1 ARG A 48 5.480 10.039 -4.230 1.00 0.00 N ATOM 745 NH2 ARG A 48 6.011 11.240 -2.347 1.00 0.00 N ATOM 0 H ARG A 48 1.934 7.458 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 48 0.017 9.282 0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.667 10.595 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.031 10.044 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.528 8.284 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.095 8.695 -3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.081 9.678 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.023 10.950 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 48 3.563 11.194 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.785 9.606 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.469 9.999 -4.477 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.726 11.734 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.997 11.194 -2.603 1.00 0.00 H new ATOM 759 N ASP A 49 -0.900 7.683 -2.555 1.00 0.00 N ATOM 760 CA ASP A 49 -2.012 7.450 -3.487 1.00 0.00 C ATOM 761 C ASP A 49 -3.099 6.578 -2.840 1.00 0.00 C ATOM 762 O ASP A 49 -4.272 6.725 -3.166 1.00 0.00 O ATOM 763 CB ASP A 49 -1.485 6.822 -4.800 1.00 0.00 C ATOM 764 CG ASP A 49 -2.564 6.762 -5.895 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.836 7.798 -6.533 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.159 5.693 -6.109 1.00 0.00 O ATOM 0 H ASP A 49 -0.040 7.196 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.470 8.408 -3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.636 7.402 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.120 5.815 -4.597 1.00 0.00 H new ATOM 771 N GLU A 50 -2.689 5.696 -1.903 1.00 0.00 N ATOM 772 CA GLU A 50 -3.622 4.855 -1.119 1.00 0.00 C ATOM 773 C GLU A 50 -4.571 5.721 -0.276 1.00 0.00 C ATOM 774 O GLU A 50 -5.760 5.425 -0.175 1.00 0.00 O ATOM 775 CB GLU A 50 -2.848 3.888 -0.191 1.00 0.00 C ATOM 776 CG GLU A 50 -1.901 2.919 -0.915 1.00 0.00 C ATOM 777 CD GLU A 50 -2.602 1.983 -1.922 1.00 0.00 C ATOM 778 OE1 GLU A 50 -2.739 2.347 -3.112 1.00 0.00 O ATOM 779 OE2 GLU A 50 -2.999 0.865 -1.530 1.00 0.00 O ATOM 0 H GLU A 50 -1.708 5.547 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.210 4.274 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.269 4.476 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.567 3.307 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.141 3.497 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.383 2.312 -0.172 1.00 0.00 H new ATOM 786 N ARG A 51 -4.010 6.782 0.320 1.00 0.00 N ATOM 787 CA ARG A 51 -4.753 7.711 1.195 1.00 0.00 C ATOM 788 C ARG A 51 -5.713 8.590 0.386 1.00 0.00 C ATOM 789 O ARG A 51 -6.825 8.863 0.828 1.00 0.00 O ATOM 790 CB ARG A 51 -3.750 8.584 1.987 1.00 0.00 C ATOM 791 CG ARG A 51 -2.797 7.751 2.863 1.00 0.00 C ATOM 792 CD ARG A 51 -1.716 8.576 3.568 1.00 0.00 C ATOM 793 NE ARG A 51 -0.763 7.689 4.256 1.00 0.00 N ATOM 794 CZ ARG A 51 -0.194 7.921 5.436 1.00 0.00 C ATOM 795 NH1 ARG A 51 -0.416 9.056 6.093 1.00 0.00 N ATOM 796 NH2 ARG A 51 0.614 7.008 5.946 1.00 0.00 N ATOM 0 H ARG A 51 -3.025 7.024 0.211 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.354 7.128 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.165 9.182 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.301 9.281 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.382 7.220 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.316 6.996 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.189 9.194 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.177 9.253 4.287 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.517 6.818 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.031 9.765 5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.028 9.217 6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.792 6.143 5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.059 7.169 6.850 1.00 0.00 H new ATOM 810 N LEU A 52 -5.263 9.017 -0.806 1.00 0.00 N ATOM 811 CA LEU A 52 -6.061 9.865 -1.710 1.00 0.00 C ATOM 812 C LEU A 52 -7.225 9.061 -2.345 1.00 0.00 C ATOM 813 O LEU A 52 -8.337 9.586 -2.474 1.00 0.00 O ATOM 814 CB LEU A 52 -5.152 10.537 -2.789 1.00 0.00 C ATOM 815 CG LEU A 52 -4.377 11.831 -2.339 1.00 0.00 C ATOM 816 CD1 LEU A 52 -3.364 11.579 -1.216 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.707 12.508 -3.546 1.00 0.00 C ATOM 0 H LEU A 52 -4.339 8.785 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.510 10.666 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.422 9.802 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.772 10.791 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.124 12.506 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.868 12.514 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.882 11.188 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.621 10.855 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.176 13.401 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.001 11.816 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.468 12.788 -4.275 1.00 0.00 H new ATOM 829 N ARG A 53 -6.974 7.780 -2.701 1.00 0.00 N ATOM 830 CA ARG A 53 -8.012 6.897 -3.289 1.00 0.00 C ATOM 831 C ARG A 53 -8.967 6.359 -2.202 1.00 0.00 C ATOM 832 O ARG A 53 -10.065 5.900 -2.522 1.00 0.00 O ATOM 833 CB ARG A 53 -7.394 5.722 -4.113 1.00 0.00 C ATOM 834 CG ARG A 53 -6.634 4.653 -3.295 1.00 0.00 C ATOM 835 CD ARG A 53 -6.210 3.424 -4.128 1.00 0.00 C ATOM 836 NE ARG A 53 -5.337 3.756 -5.274 1.00 0.00 N ATOM 837 CZ ARG A 53 -5.096 2.943 -6.323 1.00 0.00 C ATOM 838 NH1 ARG A 53 -5.619 1.721 -6.378 1.00 0.00 N ATOM 839 NH2 ARG A 53 -4.310 3.356 -7.303 1.00 0.00 N ATOM 0 H ARG A 53 -6.063 7.334 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.589 7.509 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.195 5.229 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.710 6.141 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.746 5.107 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.265 4.322 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.691 2.718 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.103 2.920 -4.497 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.882 4.669 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.213 1.386 -5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.426 1.119 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.890 4.285 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.124 2.746 -8.099 1.00 0.00 H new ATOM 853 N ALA A 54 -8.523 6.390 -0.926 1.00 0.00 N ATOM 854 CA ALA A 54 -9.370 6.030 0.231 1.00 0.00 C ATOM 855 C ALA A 54 -10.322 7.191 0.575 1.00 0.00 C ATOM 856 O ALA A 54 -11.534 6.999 0.714 1.00 0.00 O ATOM 857 CB ALA A 54 -8.499 5.658 1.439 1.00 0.00 C ATOM 0 H ALA A 54 -7.574 6.663 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.972 5.160 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.139 5.396 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.868 4.807 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.871 6.507 1.710 1.00 0.00 H new ATOM 863 N CYS A 55 -9.753 8.409 0.655 1.00 0.00 N ATOM 864 CA CYS A 55 -10.505 9.646 0.959 1.00 0.00 C ATOM 865 C CYS A 55 -11.246 10.195 -0.287 1.00 0.00 C ATOM 866 O CYS A 55 -11.799 11.296 -0.256 1.00 0.00 O ATOM 867 CB CYS A 55 -9.543 10.696 1.543 1.00 0.00 C ATOM 868 SG CYS A 55 -8.710 10.141 3.047 1.00 0.00 S ATOM 0 H CYS A 55 -8.755 8.565 0.510 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.273 9.412 1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.794 10.950 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.099 11.608 1.759 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.044 11.130 3.564 1.00 0.00 H new ATOM 874 N ASP A 56 -11.270 9.393 -1.365 1.00 0.00 N ATOM 875 CA ASP A 56 -12.006 9.681 -2.609 1.00 0.00 C ATOM 876 C ASP A 56 -13.529 9.838 -2.362 1.00 0.00 C ATOM 877 O ASP A 56 -14.212 10.559 -3.103 1.00 0.00 O ATOM 878 CB ASP A 56 -11.724 8.546 -3.620 1.00 0.00 C ATOM 879 CG ASP A 56 -12.433 8.722 -4.969 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.994 9.577 -5.763 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.407 7.993 -5.247 1.00 0.00 O ATOM 0 H ASP A 56 -10.767 8.506 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.661 10.634 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.649 8.485 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.032 7.597 -3.181 1.00 0.00 H new ATOM 886 N TRP A 57 -14.028 9.191 -1.280 1.00 0.00 N ATOM 887 CA TRP A 57 -15.458 9.224 -0.880 1.00 0.00 C ATOM 888 C TRP A 57 -15.974 10.671 -0.668 1.00 0.00 C ATOM 889 O TRP A 57 -17.162 10.946 -0.853 1.00 0.00 O ATOM 890 CB TRP A 57 -15.685 8.379 0.417 1.00 0.00 C ATOM 891 CG TRP A 57 -15.094 8.983 1.685 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.821 8.839 2.157 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.765 9.844 2.633 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.651 9.567 3.309 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.828 10.189 3.624 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.066 10.365 2.727 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.144 11.026 4.693 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.381 11.192 3.789 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.421 11.522 4.759 1.00 0.00 C ATOM 0 H TRP A 57 -13.448 8.629 -0.657 1.00 0.00 H new ATOM 0 HA TRP A 57 -16.029 8.788 -1.700 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.757 8.242 0.562 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.255 7.389 0.268 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.055 8.237 1.690 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.785 9.633 3.844 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.809 10.123 1.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.408 11.275 5.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.381 11.591 3.874 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.693 12.179 5.572 1.00 0.00 H new ATOM 910 N THR A 58 -15.064 11.568 -0.245 1.00 0.00 N ATOM 911 CA THR A 58 -15.372 12.981 0.051 1.00 0.00 C ATOM 912 C THR A 58 -14.742 13.924 -0.992 1.00 0.00 C ATOM 913 O THR A 58 -14.949 15.141 -0.941 1.00 0.00 O ATOM 914 CB THR A 58 -14.900 13.346 1.499 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.133 14.733 1.786 1.00 0.00 O ATOM 916 CG2 THR A 58 -13.424 13.006 1.726 1.00 0.00 C ATOM 0 H THR A 58 -14.083 11.330 -0.097 1.00 0.00 H new ATOM 0 HA THR A 58 -16.453 13.113 -0.004 1.00 0.00 H new ATOM 0 HB THR A 58 -15.493 12.739 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.276 15.221 0.948 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.141 13.276 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.270 11.937 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.809 13.562 1.018 1.00 0.00 H new ATOM 924 N GLN A 59 -13.956 13.362 -1.932 1.00 0.00 N ATOM 925 CA GLN A 59 -13.412 14.129 -3.075 1.00 0.00 C ATOM 926 C GLN A 59 -14.458 14.224 -4.195 1.00 0.00 C ATOM 927 O GLN A 59 -14.355 15.092 -5.071 1.00 0.00 O ATOM 928 CB GLN A 59 -12.085 13.517 -3.598 1.00 0.00 C ATOM 929 CG GLN A 59 -10.949 13.419 -2.549 1.00 0.00 C ATOM 930 CD GLN A 59 -10.763 14.688 -1.694 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.052 15.613 -2.070 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.385 14.727 -0.525 1.00 0.00 N ATOM 0 H GLN A 59 -13.683 12.379 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.183 15.136 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.290 12.518 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.733 14.116 -4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.153 12.577 -1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.013 13.202 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.972 13.945 -0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.277 15.539 0.083 1.00 0.00 H new ATOM 941 N VAL A 60 -15.462 13.320 -4.163 1.00 0.00 N ATOM 942 CA VAL A 60 -16.669 13.455 -5.001 1.00 0.00 C ATOM 943 C VAL A 60 -17.508 14.655 -4.505 1.00 0.00 C ATOM 944 O VAL A 60 -17.467 15.003 -3.318 1.00 0.00 O ATOM 945 CB VAL A 60 -17.556 12.146 -4.995 1.00 0.00 C ATOM 946 CG1 VAL A 60 -16.725 10.900 -5.373 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.284 11.938 -3.644 1.00 0.00 C ATOM 0 H VAL A 60 -15.458 12.492 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.341 13.620 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.324 12.284 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.365 10.018 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.308 11.030 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -15.915 10.772 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.880 11.027 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.549 11.852 -2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.936 12.789 -3.447 1.00 0.00 H new ATOM 957 N GLN A 61 -18.264 15.277 -5.415 1.00 0.00 N ATOM 958 CA GLN A 61 -19.116 16.444 -5.096 1.00 0.00 C ATOM 959 C GLN A 61 -20.512 16.009 -4.585 1.00 0.00 C ATOM 960 O GLN A 61 -21.299 16.842 -4.112 1.00 0.00 O ATOM 961 CB GLN A 61 -19.239 17.363 -6.339 1.00 0.00 C ATOM 962 CG GLN A 61 -19.944 16.729 -7.564 1.00 0.00 C ATOM 963 CD GLN A 61 -19.907 17.619 -8.808 1.00 0.00 C ATOM 964 OE1 GLN A 61 -18.954 18.380 -9.015 1.00 0.00 O ATOM 965 NE2 GLN A 61 -20.949 17.564 -9.619 1.00 0.00 N ATOM 0 H GLN A 61 -18.308 14.992 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.641 17.003 -4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.784 18.263 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.239 17.677 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.470 15.775 -7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.982 16.516 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.718 16.925 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.984 18.161 -10.445 1.00 0.00 H new ATOM 974 N ASP A 62 -20.804 14.691 -4.694 1.00 0.00 N ATOM 975 CA ASP A 62 -22.091 14.098 -4.269 1.00 0.00 C ATOM 976 C ASP A 62 -22.188 14.002 -2.732 1.00 0.00 C ATOM 977 O ASP A 62 -23.300 13.975 -2.181 1.00 0.00 O ATOM 978 CB ASP A 62 -22.279 12.701 -4.916 1.00 0.00 C ATOM 979 CG ASP A 62 -23.667 12.075 -4.644 1.00 0.00 C ATOM 980 OD1 ASP A 62 -24.628 12.396 -5.378 1.00 0.00 O ATOM 981 OD2 ASP A 62 -23.806 11.270 -3.698 1.00 0.00 O ATOM 0 H ASP A 62 -20.151 14.009 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.892 14.754 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.133 12.786 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.507 12.029 -4.541 1.00 0.00 H new ATOM 986 N VAL A 63 -21.023 13.968 -2.050 1.00 0.00 N ATOM 987 CA VAL A 63 -20.957 13.913 -0.577 1.00 0.00 C ATOM 988 C VAL A 63 -21.636 15.170 0.021 1.00 0.00 C ATOM 989 O VAL A 63 -21.550 16.262 -0.556 1.00 0.00 O ATOM 990 CB VAL A 63 -19.464 13.751 -0.063 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.607 15.014 -0.323 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.422 13.339 1.429 1.00 0.00 C ATOM 0 H VAL A 63 -20.109 13.978 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.498 13.030 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.019 12.945 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.595 14.850 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.573 15.217 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.049 15.866 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.385 13.237 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.914 14.103 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.937 12.387 1.558 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.377 14.993 1.123 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.139 16.079 1.759 1.00 0.00 C ATOM 1004 C VAL A 64 -22.324 16.626 2.945 1.00 0.00 C ATOM 1005 O VAL A 64 -22.428 16.137 4.075 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.576 15.600 2.212 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.418 16.779 2.782 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.314 14.908 1.032 1.00 0.00 C ATOM 0 H VAL A 64 -22.466 14.095 1.599 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.300 16.876 1.033 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.450 14.873 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.399 16.413 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.909 17.205 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.536 17.545 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.302 14.584 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.419 15.611 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.740 14.043 0.701 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.435 17.590 2.643 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.600 18.280 3.634 1.00 0.00 C ATOM 1020 C LEU A 65 -20.677 19.789 3.383 1.00 0.00 C ATOM 1021 O LEU A 65 -21.165 20.229 2.330 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.120 17.794 3.535 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.822 16.322 3.964 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.351 15.941 3.678 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.168 16.101 5.452 1.00 0.00 C ATOM 0 H LEU A 65 -21.277 17.914 1.689 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.965 18.054 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.792 17.918 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.506 18.455 4.146 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.457 15.668 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.175 14.911 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.151 16.038 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.689 16.605 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.952 15.069 5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.571 16.773 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.226 16.305 5.614 1.00 0.00 H new ATOM 1037 N THR A 66 -20.178 20.579 4.346 1.00 0.00 N ATOM 1038 CA THR A 66 -20.046 22.032 4.182 1.00 0.00 C ATOM 1039 C THR A 66 -18.871 22.337 3.232 1.00 0.00 C ATOM 1040 O THR A 66 -18.025 21.459 2.986 1.00 0.00 O ATOM 1041 CB THR A 66 -19.813 22.738 5.553 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.591 22.271 6.143 1.00 0.00 O ATOM 1043 CG2 THR A 66 -20.973 22.488 6.536 1.00 0.00 C ATOM 0 H THR A 66 -19.858 20.232 5.250 1.00 0.00 H new ATOM 0 HA THR A 66 -20.975 22.415 3.759 1.00 0.00 H new ATOM 0 HB THR A 66 -19.755 23.809 5.359 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.450 22.720 7.003 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.769 22.998 7.477 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.900 22.871 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.072 21.418 6.717 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.833 23.570 2.693 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.732 24.019 1.811 1.00 0.00 C ATOM 1053 C ALA A 67 -16.368 23.849 2.518 1.00 0.00 C ATOM 1054 O ALA A 67 -15.414 23.341 1.930 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.952 25.480 1.377 1.00 0.00 C ATOM 0 H ALA A 67 -19.552 24.276 2.851 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.727 23.397 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.134 25.794 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.895 25.561 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.983 26.121 2.258 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.327 24.274 3.796 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.143 24.141 4.673 1.00 0.00 C ATOM 1063 C ASP A 68 -14.672 22.676 4.792 1.00 0.00 C ATOM 1064 O ASP A 68 -13.499 22.412 4.628 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.425 24.733 6.075 1.00 0.00 C ATOM 1066 CG ASP A 68 -14.186 24.707 6.995 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -13.337 25.617 6.891 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -14.046 23.762 7.804 1.00 0.00 O ATOM 0 H ASP A 68 -17.120 24.723 4.254 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.337 24.709 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.771 25.761 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.233 24.173 6.545 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.596 21.741 5.081 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.257 20.294 5.219 1.00 0.00 C ATOM 1075 C GLN A 69 -14.688 19.733 3.904 1.00 0.00 C ATOM 1076 O GLN A 69 -13.629 19.102 3.892 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.485 19.468 5.681 1.00 0.00 C ATOM 1078 CG GLN A 69 -16.926 19.717 7.143 1.00 0.00 C ATOM 1079 CD GLN A 69 -15.962 19.174 8.218 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -14.747 19.090 8.027 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -16.509 18.800 9.368 1.00 0.00 N ATOM 0 H GLN A 69 -16.584 21.951 5.225 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.488 20.209 5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.323 19.691 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.258 18.409 5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.045 20.790 7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.906 19.263 7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.517 18.879 9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.921 18.434 10.117 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.383 20.040 2.807 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.988 19.660 1.431 1.00 0.00 C ATOM 1092 C LYS A 70 -13.636 20.284 1.024 1.00 0.00 C ATOM 1093 O LYS A 70 -12.923 19.728 0.190 1.00 0.00 O ATOM 1094 CB LYS A 70 -16.119 20.063 0.444 1.00 0.00 C ATOM 1095 CG LYS A 70 -17.367 19.157 0.539 1.00 0.00 C ATOM 1096 CD LYS A 70 -18.584 19.694 -0.261 1.00 0.00 C ATOM 1097 CE LYS A 70 -19.628 18.609 -0.539 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.767 19.104 -1.349 1.00 0.00 N ATOM 0 H LYS A 70 -16.254 20.570 2.841 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.849 18.580 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.412 21.094 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.732 20.030 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.113 18.162 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.649 19.050 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.050 20.508 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.238 20.111 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.152 17.778 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.003 18.220 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.490 18.360 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.178 19.944 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.433 19.356 -2.301 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.290 21.420 1.656 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.068 22.175 1.331 1.00 0.00 C ATOM 1114 C ALA A 71 -10.898 21.548 2.106 1.00 0.00 C ATOM 1115 O ALA A 71 -9.890 21.199 1.530 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.230 23.665 1.686 1.00 0.00 C ATOM 0 H ALA A 71 -13.846 21.838 2.402 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.873 22.123 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.314 24.200 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.062 24.085 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.429 23.765 2.753 1.00 0.00 H new ATOM 1122 N THR A 72 -11.089 21.433 3.431 1.00 0.00 N ATOM 1123 CA THR A 72 -10.137 20.801 4.373 1.00 0.00 C ATOM 1124 C THR A 72 -9.756 19.350 3.948 1.00 0.00 C ATOM 1125 O THR A 72 -8.614 18.924 4.139 1.00 0.00 O ATOM 1126 CB THR A 72 -10.708 20.805 5.834 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.287 22.085 6.135 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.617 20.533 6.876 1.00 0.00 C ATOM 0 H THR A 72 -11.928 21.784 3.892 1.00 0.00 H new ATOM 0 HA THR A 72 -9.226 21.400 4.346 1.00 0.00 H new ATOM 0 HB THR A 72 -11.456 20.014 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.201 22.121 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.056 20.545 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.169 19.557 6.688 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.849 21.304 6.808 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.721 18.622 3.352 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.488 17.278 2.771 1.00 0.00 C ATOM 1138 C TRP A 73 -9.706 17.365 1.446 1.00 0.00 C ATOM 1139 O TRP A 73 -8.852 16.520 1.165 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.832 16.524 2.563 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.325 15.787 3.788 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.415 16.075 4.564 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.741 14.603 4.352 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.544 15.139 5.557 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.533 14.226 5.448 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.628 13.815 4.019 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.247 13.110 6.224 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.350 12.706 4.788 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.159 12.358 5.878 1.00 0.00 C ATOM 0 H TRP A 73 -11.684 18.946 3.258 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.882 16.714 3.480 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.593 17.240 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.713 15.811 1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -14.076 16.916 4.416 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.278 15.126 6.265 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -10.002 14.073 3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.863 12.846 7.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.493 12.094 4.546 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.918 11.478 6.456 1.00 0.00 H new ATOM 1160 N ALA A 74 -10.033 18.380 0.637 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.315 18.674 -0.616 1.00 0.00 C ATOM 1162 C ALA A 74 -7.904 19.236 -0.330 1.00 0.00 C ATOM 1163 O ALA A 74 -7.023 19.152 -1.177 1.00 0.00 O ATOM 1164 CB ALA A 74 -10.143 19.635 -1.480 1.00 0.00 C ATOM 0 H ALA A 74 -10.802 19.022 0.830 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.181 17.745 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.606 19.848 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.104 19.177 -1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.308 20.564 -0.934 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.715 19.800 0.886 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.429 20.356 1.360 1.00 0.00 C ATOM 1172 C LYS A 75 -5.561 19.207 1.881 1.00 0.00 C ATOM 1173 O LYS A 75 -4.344 19.217 1.710 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.641 21.424 2.490 1.00 0.00 C ATOM 1175 CG LYS A 75 -6.529 22.899 2.038 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.607 23.324 1.015 1.00 0.00 C ATOM 1177 CE LYS A 75 -7.515 24.813 0.650 1.00 0.00 C ATOM 1178 NZ LYS A 75 -8.624 25.239 -0.235 1.00 0.00 N ATOM 0 H LYS A 75 -8.463 19.882 1.574 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.936 20.858 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.626 21.271 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.908 21.246 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.599 23.544 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.544 23.061 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.502 22.724 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.595 23.114 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.529 25.411 1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.563 25.007 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.523 26.250 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.596 24.687 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.532 25.079 0.245 1.00 0.00 H new ATOM 1192 N TYR A 76 -6.217 18.239 2.551 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.590 16.976 2.970 1.00 0.00 C ATOM 1194 C TYR A 76 -4.983 16.271 1.748 1.00 0.00 C ATOM 1195 O TYR A 76 -3.822 15.863 1.769 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.639 16.060 3.669 1.00 0.00 C ATOM 1197 CG TYR A 76 -6.181 14.606 3.892 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -5.153 14.300 4.782 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.762 13.544 3.188 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.732 12.998 4.963 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.336 12.242 3.371 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.326 11.973 4.262 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.901 10.672 4.450 1.00 0.00 O ATOM 0 H TYR A 76 -7.199 18.314 2.816 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.794 17.189 3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.896 16.497 4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.550 16.051 3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.678 15.094 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.559 13.746 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.933 12.783 5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.796 11.438 2.815 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.649 10.058 4.296 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.800 16.184 0.682 1.00 0.00 N ATOM 1214 CA ARG A 77 -5.414 15.577 -0.597 1.00 0.00 C ATOM 1215 C ARG A 77 -4.232 16.345 -1.207 1.00 0.00 C ATOM 1216 O ARG A 77 -3.182 15.764 -1.501 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.615 15.622 -1.587 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.398 14.815 -2.886 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.593 14.883 -3.841 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.412 14.058 -5.047 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.312 13.949 -6.038 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -9.473 14.596 -5.989 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -8.041 13.184 -7.072 1.00 0.00 N ATOM 0 H ARG A 77 -6.756 16.538 0.689 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.123 14.542 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.502 15.242 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.817 16.661 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.511 15.190 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.203 13.773 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.490 14.557 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.756 15.919 -4.137 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.542 13.533 -5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.693 15.188 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.143 14.500 -6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.155 12.681 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.717 13.094 -7.831 1.00 0.00 H new ATOM 1237 N GLN A 78 -4.443 17.666 -1.352 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.549 18.571 -2.079 1.00 0.00 C ATOM 1239 C GLN A 78 -2.150 18.614 -1.460 1.00 0.00 C ATOM 1240 O GLN A 78 -1.155 18.477 -2.169 1.00 0.00 O ATOM 1241 CB GLN A 78 -4.153 20.011 -2.145 1.00 0.00 C ATOM 1242 CG GLN A 78 -3.590 20.869 -3.290 1.00 0.00 C ATOM 1243 CD GLN A 78 -4.023 20.365 -4.675 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -4.996 20.851 -5.250 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.366 19.325 -5.167 1.00 0.00 N ATOM 0 H GLN A 78 -5.257 18.138 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.452 18.180 -3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.235 19.936 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.965 20.517 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.921 21.900 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.501 20.874 -3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.563 18.945 -4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.663 18.904 -6.047 1.00 0.00 H new ATOM 1254 N ALA A 79 -2.106 18.773 -0.133 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.848 18.895 0.625 1.00 0.00 C ATOM 1256 C ALA A 79 -0.038 17.593 0.579 1.00 0.00 C ATOM 1257 O ALA A 79 1.188 17.615 0.424 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.145 19.284 2.079 1.00 0.00 C ATOM 0 H ALA A 79 -2.941 18.821 0.450 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.249 19.677 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.209 19.372 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.669 20.239 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.768 18.518 2.541 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.750 16.465 0.682 1.00 0.00 N ATOM 1265 CA LEU A 80 -0.164 15.122 0.788 1.00 0.00 C ATOM 1266 C LEU A 80 0.566 14.761 -0.525 1.00 0.00 C ATOM 1267 O LEU A 80 1.705 14.277 -0.511 1.00 0.00 O ATOM 1268 CB LEU A 80 -1.335 14.136 1.107 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.013 12.805 1.861 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.313 12.117 2.323 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.178 11.844 1.008 1.00 0.00 C ATOM 0 H LEU A 80 -1.770 16.459 0.694 1.00 0.00 H new ATOM 0 HA LEU A 80 0.582 15.067 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.073 14.680 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.812 13.874 0.163 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.417 13.067 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.069 11.192 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.857 12.781 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.933 11.891 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.020 10.934 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.726 11.594 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.766 12.320 0.743 1.00 0.00 H new ATOM 1283 N ARG A 81 -0.112 15.031 -1.657 1.00 0.00 N ATOM 1284 CA ARG A 81 0.419 14.746 -3.002 1.00 0.00 C ATOM 1285 C ARG A 81 1.463 15.800 -3.440 1.00 0.00 C ATOM 1286 O ARG A 81 2.346 15.498 -4.250 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.733 14.673 -4.038 1.00 0.00 C ATOM 1288 CG ARG A 81 -1.514 15.998 -4.250 1.00 0.00 C ATOM 1289 CD ARG A 81 -2.579 15.900 -5.350 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.981 15.707 -6.684 1.00 0.00 N ATOM 1291 CZ ARG A 81 -2.653 15.508 -7.827 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -3.975 15.407 -7.836 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -1.986 15.409 -8.965 1.00 0.00 N ATOM 0 H ARG A 81 -1.041 15.452 -1.664 1.00 0.00 H new ATOM 0 HA ARG A 81 0.919 13.779 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.320 14.356 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.436 13.902 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.993 16.284 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.810 16.791 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.251 15.070 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.183 16.807 -5.352 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.963 15.727 -6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.498 15.481 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.469 15.256 -8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.969 15.484 -8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.489 15.258 -9.839 1.00 0.00 H new ATOM 1307 N ASP A 82 1.341 17.036 -2.894 1.00 0.00 N ATOM 1308 CA ASP A 82 2.239 18.173 -3.229 1.00 0.00 C ATOM 1309 C ASP A 82 3.672 17.905 -2.737 1.00 0.00 C ATOM 1310 O ASP A 82 4.630 18.490 -3.254 1.00 0.00 O ATOM 1311 CB ASP A 82 1.697 19.498 -2.621 1.00 0.00 C ATOM 1312 CG ASP A 82 2.428 20.756 -3.132 1.00 0.00 C ATOM 1313 OD1 ASP A 82 2.007 21.329 -4.158 1.00 0.00 O ATOM 1314 OD2 ASP A 82 3.420 21.185 -2.510 1.00 0.00 O ATOM 0 H ASP A 82 0.621 17.273 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 82 2.263 18.274 -4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.635 19.586 -2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.785 19.453 -1.535 1.00 0.00 H new ATOM 1319 N LEU A 83 3.798 17.002 -1.741 1.00 0.00 N ATOM 1320 CA LEU A 83 5.097 16.545 -1.232 1.00 0.00 C ATOM 1321 C LEU A 83 5.847 15.814 -2.388 1.00 0.00 C ATOM 1322 O LEU A 83 5.386 14.754 -2.844 1.00 0.00 O ATOM 1323 CB LEU A 83 4.881 15.631 0.021 1.00 0.00 C ATOM 1324 CG LEU A 83 6.112 15.417 0.983 1.00 0.00 C ATOM 1325 CD1 LEU A 83 5.656 14.826 2.327 1.00 0.00 C ATOM 1326 CD2 LEU A 83 7.214 14.517 0.368 1.00 0.00 C ATOM 0 H LEU A 83 3.000 16.574 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 83 5.711 17.385 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.064 16.051 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.552 14.652 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 83 6.548 16.404 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.521 14.686 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.951 15.507 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.172 13.864 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.033 14.408 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.798 13.536 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.587 14.974 -0.549 1.00 0.00 H new ATOM 1338 N PRO A 84 6.997 16.386 -2.892 1.00 0.00 N ATOM 1339 CA PRO A 84 7.752 15.820 -4.039 1.00 0.00 C ATOM 1340 C PRO A 84 8.634 14.624 -3.627 1.00 0.00 C ATOM 1341 O PRO A 84 8.514 14.109 -2.514 1.00 0.00 O ATOM 1342 CB PRO A 84 8.590 17.035 -4.519 1.00 0.00 C ATOM 1343 CG PRO A 84 8.875 17.811 -3.265 1.00 0.00 C ATOM 1344 CD PRO A 84 7.661 17.617 -2.365 1.00 0.00 C ATOM 0 HA PRO A 84 7.109 15.407 -4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.511 16.715 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.039 17.637 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.782 17.449 -2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.031 18.867 -3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.955 17.494 -1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.993 18.478 -2.408 1.00 0.00 H new ATOM 1352 N GLU A 85 9.505 14.165 -4.543 1.00 0.00 N ATOM 1353 CA GLU A 85 10.448 13.064 -4.263 1.00 0.00 C ATOM 1354 C GLU A 85 11.729 13.626 -3.624 1.00 0.00 C ATOM 1355 O GLU A 85 12.834 13.478 -4.160 1.00 0.00 O ATOM 1356 CB GLU A 85 10.737 12.239 -5.559 1.00 0.00 C ATOM 1357 CG GLU A 85 9.480 11.653 -6.265 1.00 0.00 C ATOM 1358 CD GLU A 85 8.708 10.595 -5.439 1.00 0.00 C ATOM 1359 OE1 GLU A 85 8.165 10.938 -4.365 1.00 0.00 O ATOM 1360 OE2 GLU A 85 8.628 9.420 -5.862 1.00 0.00 O ATOM 0 H GLU A 85 9.576 14.541 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 85 9.999 12.373 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.267 12.877 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.408 11.418 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.802 12.471 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.787 11.204 -7.209 1.00 0.00 H new ATOM 1367 N THR A 86 11.547 14.291 -2.468 1.00 0.00 N ATOM 1368 CA THR A 86 12.627 14.947 -1.718 1.00 0.00 C ATOM 1369 C THR A 86 13.595 13.901 -1.140 1.00 0.00 C ATOM 1370 O THR A 86 14.818 14.037 -1.264 1.00 0.00 O ATOM 1371 CB THR A 86 12.030 15.820 -0.557 1.00 0.00 C ATOM 1372 OG1 THR A 86 11.027 16.700 -1.088 1.00 0.00 O ATOM 1373 CG2 THR A 86 13.106 16.660 0.166 1.00 0.00 C ATOM 0 H THR A 86 10.633 14.387 -2.026 1.00 0.00 H new ATOM 0 HA THR A 86 13.177 15.593 -2.402 1.00 0.00 H new ATOM 0 HB THR A 86 11.599 15.135 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.653 17.244 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.639 17.244 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.856 15.997 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.583 17.332 -0.547 1.00 0.00 H new ATOM 1381 N VAL A 87 13.024 12.841 -0.532 1.00 0.00 N ATOM 1382 CA VAL A 87 13.801 11.790 0.141 1.00 0.00 C ATOM 1383 C VAL A 87 14.075 10.608 -0.825 1.00 0.00 C ATOM 1384 O VAL A 87 13.354 9.603 -0.860 1.00 0.00 O ATOM 1385 CB VAL A 87 13.119 11.346 1.504 1.00 0.00 C ATOM 1386 CG1 VAL A 87 13.093 12.535 2.503 1.00 0.00 C ATOM 1387 CG2 VAL A 87 11.680 10.786 1.309 1.00 0.00 C ATOM 0 H VAL A 87 12.015 12.693 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 87 14.774 12.197 0.417 1.00 0.00 H new ATOM 0 HB VAL A 87 13.725 10.535 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.623 12.218 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.113 12.863 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.525 13.360 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.267 10.500 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.050 11.552 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.714 9.914 0.657 1.00 0.00 H new ATOM 1397 N THR A 88 15.113 10.786 -1.668 1.00 0.00 N ATOM 1398 CA THR A 88 15.596 9.737 -2.580 1.00 0.00 C ATOM 1399 C THR A 88 16.506 8.752 -1.808 1.00 0.00 C ATOM 1400 O THR A 88 16.640 7.586 -2.181 1.00 0.00 O ATOM 1401 CB THR A 88 16.334 10.344 -3.831 1.00 0.00 C ATOM 1402 OG1 THR A 88 16.648 9.307 -4.782 1.00 0.00 O ATOM 1403 CG2 THR A 88 17.627 11.094 -3.458 1.00 0.00 C ATOM 0 H THR A 88 15.636 11.659 -1.733 1.00 0.00 H new ATOM 0 HA THR A 88 14.734 9.191 -2.963 1.00 0.00 H new ATOM 0 HB THR A 88 15.647 11.066 -4.272 1.00 0.00 H new ATOM 0 HG1 THR A 88 17.105 9.699 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 88 18.091 11.490 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 88 17.389 11.915 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 88 18.317 10.408 -2.966 1.00 0.00 H new ATOM 1411 N ASP A 89 17.125 9.257 -0.725 1.00 0.00 N ATOM 1412 CA ASP A 89 17.883 8.456 0.248 1.00 0.00 C ATOM 1413 C ASP A 89 16.907 7.933 1.329 1.00 0.00 C ATOM 1414 O ASP A 89 15.850 8.546 1.557 1.00 0.00 O ATOM 1415 CB ASP A 89 19.012 9.354 0.852 1.00 0.00 C ATOM 1416 CG ASP A 89 19.927 8.693 1.909 1.00 0.00 C ATOM 1417 OD1 ASP A 89 20.108 7.460 1.906 1.00 0.00 O ATOM 1418 OD2 ASP A 89 20.490 9.425 2.746 1.00 0.00 O ATOM 0 H ASP A 89 17.111 10.252 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 89 18.353 7.591 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.638 9.711 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.546 10.230 1.304 1.00 0.00 H new ATOM 1423 N LEU A 90 17.278 6.806 1.977 1.00 0.00 N ATOM 1424 CA LEU A 90 16.432 6.086 2.962 1.00 0.00 C ATOM 1425 C LEU A 90 15.946 7.021 4.097 1.00 0.00 C ATOM 1426 O LEU A 90 16.704 7.346 5.015 1.00 0.00 O ATOM 1427 CB LEU A 90 17.221 4.882 3.556 1.00 0.00 C ATOM 1428 CG LEU A 90 16.494 4.049 4.669 1.00 0.00 C ATOM 1429 CD1 LEU A 90 15.202 3.391 4.141 1.00 0.00 C ATOM 1430 CD2 LEU A 90 17.442 3.002 5.295 1.00 0.00 C ATOM 0 H LEU A 90 18.185 6.363 1.830 1.00 0.00 H new ATOM 0 HA LEU A 90 15.548 5.720 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.480 4.208 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 90 18.157 5.258 3.968 1.00 0.00 H new ATOM 0 HG LEU A 90 16.203 4.746 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.729 2.824 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.517 4.163 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.446 2.721 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.909 2.441 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.790 2.318 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 90 18.297 3.508 5.743 1.00 0.00 H new ATOM 1442 N SER A 91 14.686 7.475 3.990 1.00 0.00 N ATOM 1443 CA SER A 91 14.032 8.325 4.997 1.00 0.00 C ATOM 1444 C SER A 91 12.520 8.070 5.009 1.00 0.00 C ATOM 1445 O SER A 91 11.912 7.822 3.956 1.00 0.00 O ATOM 1446 CB SER A 91 14.314 9.820 4.729 1.00 0.00 C ATOM 1447 OG SER A 91 15.687 10.129 4.897 1.00 0.00 O ATOM 0 H SER A 91 14.087 7.259 3.193 1.00 0.00 H new ATOM 0 HA SER A 91 14.444 8.068 5.973 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.005 10.073 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.717 10.431 5.406 1.00 0.00 H new ATOM 0 HG SER A 91 16.184 9.310 5.103 1.00 0.00 H new ATOM 1453 N GLN A 92 11.938 8.133 6.214 1.00 0.00 N ATOM 1454 CA GLN A 92 10.491 8.014 6.430 1.00 0.00 C ATOM 1455 C GLN A 92 9.776 9.303 5.963 1.00 0.00 C ATOM 1456 O GLN A 92 10.113 10.411 6.398 1.00 0.00 O ATOM 1457 CB GLN A 92 10.197 7.711 7.934 1.00 0.00 C ATOM 1458 CG GLN A 92 10.841 8.703 8.931 1.00 0.00 C ATOM 1459 CD GLN A 92 10.645 8.334 10.402 1.00 0.00 C ATOM 1460 OE1 GLN A 92 9.648 7.717 10.780 1.00 0.00 O ATOM 1461 NE2 GLN A 92 11.598 8.713 11.246 1.00 0.00 N ATOM 0 H GLN A 92 12.466 8.270 7.076 1.00 0.00 H new ATOM 0 HA GLN A 92 10.105 7.184 5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.118 7.713 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.550 6.706 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.909 8.766 8.724 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.424 9.695 8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.411 9.223 10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.516 8.494 12.239 1.00 0.00 H new ATOM 1470 N ILE A 93 8.828 9.141 5.030 1.00 0.00 N ATOM 1471 CA ILE A 93 7.956 10.236 4.555 1.00 0.00 C ATOM 1472 C ILE A 93 6.967 10.669 5.664 1.00 0.00 C ATOM 1473 O ILE A 93 6.367 9.820 6.337 1.00 0.00 O ATOM 1474 CB ILE A 93 7.175 9.863 3.201 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.860 8.321 3.060 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.957 10.358 1.953 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.938 7.703 4.104 1.00 0.00 C ATOM 0 H ILE A 93 8.640 8.246 4.579 1.00 0.00 H new ATOM 0 HA ILE A 93 8.606 11.078 4.318 1.00 0.00 H new ATOM 0 HB ILE A 93 6.217 10.379 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.418 8.154 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.806 7.779 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.407 10.093 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.073 11.441 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.940 9.888 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.806 6.642 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.378 7.822 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.970 8.202 4.075 1.00 0.00 H new ATOM 1489 N VAL A 94 6.839 11.985 5.885 1.00 0.00 N ATOM 1490 CA VAL A 94 5.820 12.563 6.774 1.00 0.00 C ATOM 1491 C VAL A 94 4.936 13.527 5.965 1.00 0.00 C ATOM 1492 O VAL A 94 5.414 14.509 5.408 1.00 0.00 O ATOM 1493 CB VAL A 94 6.464 13.281 8.028 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.565 14.305 7.625 1.00 0.00 C ATOM 1495 CG2 VAL A 94 5.375 13.948 8.910 1.00 0.00 C ATOM 0 H VAL A 94 7.443 12.683 5.450 1.00 0.00 H new ATOM 0 HA VAL A 94 5.204 11.756 7.170 1.00 0.00 H new ATOM 0 HB VAL A 94 6.954 12.507 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.975 14.770 8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.361 13.790 7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.131 15.073 6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.846 14.434 9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.835 14.691 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.678 13.189 9.263 1.00 0.00 H new ATOM 1505 N TRP A 95 3.650 13.194 5.879 1.00 0.00 N ATOM 1506 CA TRP A 95 2.621 13.987 5.178 1.00 0.00 C ATOM 1507 C TRP A 95 1.334 14.004 6.029 1.00 0.00 C ATOM 1508 O TRP A 95 1.217 13.167 6.929 1.00 0.00 O ATOM 1509 CB TRP A 95 2.390 13.424 3.734 1.00 0.00 C ATOM 1510 CG TRP A 95 2.430 11.924 3.598 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.866 10.982 4.424 1.00 0.00 C ATOM 1512 CD2 TRP A 95 3.054 11.198 2.538 1.00 0.00 C ATOM 1513 NE1 TRP A 95 2.152 9.730 3.964 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.868 9.837 2.806 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.771 11.572 1.392 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.356 8.855 1.974 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.248 10.580 0.562 1.00 0.00 C ATOM 1518 CH2 TRP A 95 4.042 9.233 0.865 1.00 0.00 C ATOM 0 H TRP A 95 3.277 12.345 6.303 1.00 0.00 H new ATOM 0 HA TRP A 95 2.952 15.018 5.056 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.422 13.776 3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.146 13.850 3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.283 11.200 5.306 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.876 8.856 4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.945 12.613 1.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.197 7.810 2.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.788 10.848 -0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.436 8.476 0.204 1.00 0.00 H new ATOM 1529 N PRO A 96 0.359 14.957 5.783 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.847 15.133 6.649 1.00 0.00 C ATOM 1531 C PRO A 96 -1.661 13.833 6.877 1.00 0.00 C ATOM 1532 O PRO A 96 -1.795 12.998 5.976 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.698 16.206 5.893 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.132 16.247 4.507 1.00 0.00 C ATOM 1535 CD PRO A 96 0.339 15.953 4.664 1.00 0.00 C ATOM 0 HA PRO A 96 -0.558 15.430 7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.754 15.934 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.625 17.180 6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.613 15.510 3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.290 17.222 4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.770 15.544 3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.907 16.850 4.910 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.126 13.670 8.123 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.150 12.684 8.500 1.00 0.00 C ATOM 1545 C GLN A 97 -4.523 13.382 8.454 1.00 0.00 C ATOM 1546 O GLN A 97 -4.599 14.596 8.688 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.843 12.093 9.903 1.00 0.00 C ATOM 1548 CG GLN A 97 -3.807 10.974 10.359 1.00 0.00 C ATOM 1549 CD GLN A 97 -3.923 9.793 9.384 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -2.975 9.446 8.671 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -5.093 9.169 9.349 1.00 0.00 N ATOM 0 H GLN A 97 -1.796 14.228 8.911 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.153 11.846 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.826 11.700 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.872 12.899 10.636 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.474 10.598 11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.797 11.404 10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.855 9.481 9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.230 8.378 8.720 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.588 12.608 8.147 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.922 13.146 7.790 1.00 0.00 C ATOM 1562 C LEU A 98 -7.512 14.116 8.851 1.00 0.00 C ATOM 1563 O LEU A 98 -7.351 13.889 10.046 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.902 11.981 7.404 1.00 0.00 C ATOM 1565 CG LEU A 98 -8.033 10.751 8.368 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.792 11.083 9.674 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.696 9.558 7.640 1.00 0.00 C ATOM 0 H LEU A 98 -5.547 11.589 8.140 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.787 13.772 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.896 12.412 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.597 11.604 6.428 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.020 10.475 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.849 10.191 10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.263 11.870 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.799 11.422 9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.778 8.714 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.690 9.847 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.087 9.271 6.782 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.186 15.222 8.412 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.617 16.325 9.321 1.00 0.00 C ATOM 1581 C PRO A 99 -9.712 15.912 10.327 1.00 0.00 C ATOM 1582 O PRO A 99 -9.673 16.297 11.501 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.144 17.402 8.335 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.567 16.633 7.110 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.576 15.496 6.997 1.00 0.00 C ATOM 0 HA PRO A 99 -7.799 16.661 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.981 17.954 8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.370 18.131 8.096 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.586 16.259 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.546 17.264 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.024 14.620 6.529 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.714 15.775 6.391 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.681 15.134 9.840 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.890 14.779 10.586 1.00 0.00 C ATOM 1595 C VAL A 100 -11.651 13.462 11.361 1.00 0.00 C ATOM 1596 O VAL A 100 -11.431 13.512 12.588 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.114 14.659 9.600 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.438 14.354 10.349 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.246 15.947 8.745 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.644 12.385 10.733 1.00 0.00 O ATOM 0 H VAL A 100 -10.648 14.728 8.905 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.122 15.561 11.309 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.921 13.815 8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -15.254 14.280 9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -14.342 13.411 10.888 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.649 15.156 11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.095 15.849 8.069 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.400 16.804 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.335 16.093 8.164 1.00 0.00 H new TER 1610 VAL A 100