USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=19 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 66 THR OG1 : rot 180:sc= -0.0757 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.412 X(o=-0.49,f=-0.21) USER MOD Set 2.1: A 58 THR OG1 : rot -42:sc= 1.11 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.39 X(o=-0.28,f=-0.019) USER MOD Single : A 1 MET CE :methyl -161:sc= -1.52 (180deg=-2.12) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=-0.009) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -30:sc= -0.126 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 28 SER OG : rot 170:sc= -0.122 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0.145 (180deg=0.123) USER MOD Single : A 39 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 42 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.54) USER MOD Single : A 43 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 55 CYS SG : rot -115:sc= 0.0802! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 0.609 (180deg=0.514) USER MOD Single : A 72 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.219 F(o=-1.1,f=-0.22) USER MOD Single : A 86 THR OG1 : rot 42:sc= 0.00737 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.687 -4.000 5.390 1.00 0.00 N ATOM 2 CA MET A 1 6.123 -4.129 3.984 1.00 0.00 C ATOM 3 C MET A 1 6.823 -5.476 3.793 1.00 0.00 C ATOM 4 O MET A 1 7.835 -5.753 4.445 1.00 0.00 O ATOM 5 CB MET A 1 7.062 -2.947 3.589 1.00 0.00 C ATOM 6 CG MET A 1 7.533 -2.922 2.112 1.00 0.00 C ATOM 7 SD MET A 1 8.691 -4.240 1.662 1.00 0.00 S ATOM 8 CE MET A 1 10.076 -3.909 2.743 1.00 0.00 C ATOM 0 H1 MET A 1 5.211 -3.085 5.523 1.00 0.00 H new ATOM 0 H2 MET A 1 5.028 -4.770 5.621 1.00 0.00 H new ATOM 0 H3 MET A 1 6.515 -4.053 6.017 1.00 0.00 H new ATOM 0 HA MET A 1 5.252 -4.088 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.545 -2.011 3.801 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.943 -2.978 4.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.658 -2.990 1.465 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.004 -1.960 1.912 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.966 -4.405 2.356 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.252 -2.834 2.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.856 -4.285 3.742 1.00 0.00 H new ATOM 18 N LEU A 2 6.260 -6.304 2.906 1.00 0.00 N ATOM 19 CA LEU A 2 6.880 -7.545 2.431 1.00 0.00 C ATOM 20 C LEU A 2 7.394 -7.301 1.012 1.00 0.00 C ATOM 21 O LEU A 2 6.859 -6.437 0.295 1.00 0.00 O ATOM 22 CB LEU A 2 5.879 -8.748 2.497 1.00 0.00 C ATOM 23 CG LEU A 2 4.436 -8.563 1.896 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.399 -8.531 0.350 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.493 -9.654 2.425 1.00 0.00 C ATOM 0 H LEU A 2 5.345 -6.127 2.491 1.00 0.00 H new ATOM 0 HA LEU A 2 7.714 -7.818 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.343 -9.593 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.768 -9.029 3.544 1.00 0.00 H new ATOM 0 HG LEU A 2 4.097 -7.582 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.371 -8.401 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.007 -7.702 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.793 -9.468 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.499 -9.513 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.874 -10.634 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.436 -9.590 3.512 1.00 0.00 H new ATOM 37 N LEU A 3 8.430 -8.037 0.613 1.00 0.00 N ATOM 38 CA LEU A 3 9.006 -7.951 -0.732 1.00 0.00 C ATOM 39 C LEU A 3 8.108 -8.714 -1.717 1.00 0.00 C ATOM 40 O LEU A 3 8.056 -9.952 -1.692 1.00 0.00 O ATOM 41 CB LEU A 3 10.452 -8.533 -0.707 1.00 0.00 C ATOM 42 CG LEU A 3 11.582 -7.673 -0.031 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.185 -7.105 1.343 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.894 -8.487 0.095 1.00 0.00 C ATOM 0 H LEU A 3 8.897 -8.714 1.216 1.00 0.00 H new ATOM 0 HA LEU A 3 9.062 -6.913 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.416 -9.496 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.751 -8.728 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 3 11.739 -6.820 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.013 -6.523 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.310 -6.464 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.950 -7.925 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.661 -7.871 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.716 -9.373 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.230 -8.791 -0.896 1.00 0.00 H new ATOM 56 N HIS A 4 7.362 -7.946 -2.547 1.00 0.00 N ATOM 57 CA HIS A 4 6.457 -8.477 -3.604 1.00 0.00 C ATOM 58 C HIS A 4 7.155 -9.437 -4.600 1.00 0.00 C ATOM 59 O HIS A 4 6.474 -10.152 -5.337 1.00 0.00 O ATOM 60 CB HIS A 4 5.776 -7.299 -4.364 1.00 0.00 C ATOM 61 CG HIS A 4 4.769 -6.523 -3.546 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.488 -6.255 -3.983 1.00 0.00 N ATOM 63 CD2 HIS A 4 4.857 -5.966 -2.314 1.00 0.00 C ATOM 64 CE1 HIS A 4 2.837 -5.581 -3.056 1.00 0.00 C ATOM 65 NE2 HIS A 4 3.645 -5.389 -2.036 1.00 0.00 N ATOM 0 H HIS A 4 7.369 -6.927 -2.504 1.00 0.00 H new ATOM 0 HA HIS A 4 5.703 -9.075 -3.093 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.548 -6.613 -4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 4 5.278 -7.694 -5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.723 -5.975 -1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.813 -5.243 -3.123 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.408 -4.892 -1.178 1.00 0.00 H new ATOM 74 N SER A 5 8.496 -9.461 -4.601 1.00 0.00 N ATOM 75 CA SER A 5 9.296 -10.380 -5.423 1.00 0.00 C ATOM 76 C SER A 5 10.698 -10.516 -4.797 1.00 0.00 C ATOM 77 O SER A 5 11.323 -9.503 -4.466 1.00 0.00 O ATOM 78 CB SER A 5 9.377 -9.858 -6.883 1.00 0.00 C ATOM 79 OG SER A 5 9.836 -8.510 -6.925 1.00 0.00 O ATOM 0 H SER A 5 9.061 -8.837 -4.025 1.00 0.00 H new ATOM 0 HA SER A 5 8.826 -11.363 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.049 -10.492 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.395 -9.925 -7.351 1.00 0.00 H new ATOM 0 HG SER A 5 9.879 -8.208 -7.856 1.00 0.00 H new ATOM 85 N VAL A 6 11.157 -11.769 -4.580 1.00 0.00 N ATOM 86 CA VAL A 6 12.528 -12.078 -4.098 1.00 0.00 C ATOM 87 C VAL A 6 13.089 -13.224 -4.942 1.00 0.00 C ATOM 88 O VAL A 6 12.602 -14.356 -4.837 1.00 0.00 O ATOM 89 CB VAL A 6 12.583 -12.520 -2.572 1.00 0.00 C ATOM 90 CG1 VAL A 6 14.052 -12.672 -2.076 1.00 0.00 C ATOM 91 CG2 VAL A 6 11.814 -11.544 -1.669 1.00 0.00 C ATOM 0 H VAL A 6 10.586 -12.600 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 6 13.111 -11.162 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 6 12.097 -13.493 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.053 -12.975 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.561 -13.428 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.571 -11.719 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.875 -11.881 -0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.251 -10.549 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.769 -11.509 -1.978 1.00 0.00 H new ATOM 101 N GLU A 7 14.092 -12.942 -5.781 1.00 0.00 N ATOM 102 CA GLU A 7 14.753 -13.981 -6.574 1.00 0.00 C ATOM 103 C GLU A 7 15.739 -14.760 -5.679 1.00 0.00 C ATOM 104 O GLU A 7 16.857 -14.304 -5.409 1.00 0.00 O ATOM 105 CB GLU A 7 15.457 -13.384 -7.815 1.00 0.00 C ATOM 106 CG GLU A 7 16.079 -14.435 -8.744 1.00 0.00 C ATOM 107 CD GLU A 7 16.728 -13.817 -9.988 1.00 0.00 C ATOM 108 OE1 GLU A 7 17.800 -13.183 -9.855 1.00 0.00 O ATOM 109 OE2 GLU A 7 16.174 -13.945 -11.099 1.00 0.00 O ATOM 0 H GLU A 7 14.463 -12.003 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 7 13.999 -14.673 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.736 -12.795 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.238 -12.699 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.828 -15.003 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.309 -15.141 -9.054 1.00 0.00 H new ATOM 116 N THR A 8 15.263 -15.907 -5.172 1.00 0.00 N ATOM 117 CA THR A 8 16.045 -16.826 -4.329 1.00 0.00 C ATOM 118 C THR A 8 16.723 -17.883 -5.244 1.00 0.00 C ATOM 119 O THR A 8 16.348 -17.988 -6.420 1.00 0.00 O ATOM 120 CB THR A 8 15.099 -17.501 -3.266 1.00 0.00 C ATOM 121 OG1 THR A 8 14.221 -18.432 -3.890 1.00 0.00 O ATOM 122 CG2 THR A 8 14.239 -16.459 -2.537 1.00 0.00 C ATOM 0 H THR A 8 14.309 -16.228 -5.338 1.00 0.00 H new ATOM 0 HA THR A 8 16.821 -16.286 -3.786 1.00 0.00 H new ATOM 0 HB THR A 8 15.745 -18.009 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.037 -18.144 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.598 -16.960 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.886 -15.749 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.621 -15.927 -3.260 1.00 0.00 H new ATOM 130 N PRO A 9 17.755 -18.660 -4.763 1.00 0.00 N ATOM 131 CA PRO A 9 18.418 -19.712 -5.592 1.00 0.00 C ATOM 132 C PRO A 9 17.498 -20.912 -5.965 1.00 0.00 C ATOM 133 O PRO A 9 17.919 -21.812 -6.699 1.00 0.00 O ATOM 134 CB PRO A 9 19.629 -20.155 -4.721 1.00 0.00 C ATOM 135 CG PRO A 9 19.240 -19.794 -3.319 1.00 0.00 C ATOM 136 CD PRO A 9 18.416 -18.528 -3.435 1.00 0.00 C ATOM 0 HA PRO A 9 18.704 -19.320 -6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.816 -21.224 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.543 -19.643 -5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.665 -20.594 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.121 -19.632 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.686 -18.450 -2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.041 -17.637 -3.385 1.00 0.00 H new ATOM 144 N ARG A 10 16.258 -20.930 -5.439 1.00 0.00 N ATOM 145 CA ARG A 10 15.225 -21.931 -5.826 1.00 0.00 C ATOM 146 C ARG A 10 14.176 -21.326 -6.789 1.00 0.00 C ATOM 147 O ARG A 10 13.193 -21.992 -7.140 1.00 0.00 O ATOM 148 CB ARG A 10 14.540 -22.500 -4.554 1.00 0.00 C ATOM 149 CG ARG A 10 13.750 -21.459 -3.729 1.00 0.00 C ATOM 150 CD ARG A 10 13.306 -21.971 -2.354 1.00 0.00 C ATOM 151 NE ARG A 10 12.395 -23.131 -2.428 1.00 0.00 N ATOM 152 CZ ARG A 10 12.633 -24.341 -1.896 1.00 0.00 C ATOM 153 NH1 ARG A 10 13.808 -24.622 -1.341 1.00 0.00 N ATOM 154 NH2 ARG A 10 11.696 -25.271 -1.940 1.00 0.00 N ATOM 0 H ARG A 10 15.938 -20.260 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 10 15.721 -22.743 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.862 -23.300 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.302 -22.947 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.367 -20.571 -3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.870 -21.152 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.187 -22.247 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.811 -21.163 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 10 11.513 -23.003 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.542 -23.914 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.975 -25.545 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.797 -25.069 -2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.872 -26.192 -1.537 1.00 0.00 H new ATOM 168 N GLY A 11 14.394 -20.064 -7.198 1.00 0.00 N ATOM 169 CA GLY A 11 13.490 -19.338 -8.102 1.00 0.00 C ATOM 170 C GLY A 11 12.978 -18.054 -7.465 1.00 0.00 C ATOM 171 O GLY A 11 13.253 -17.787 -6.292 1.00 0.00 O ATOM 0 H GLY A 11 15.206 -19.518 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.013 -19.102 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.647 -19.976 -8.365 1.00 0.00 H new ATOM 175 N GLU A 12 12.216 -17.249 -8.227 1.00 0.00 N ATOM 176 CA GLU A 12 11.667 -15.982 -7.706 1.00 0.00 C ATOM 177 C GLU A 12 10.397 -16.276 -6.889 1.00 0.00 C ATOM 178 O GLU A 12 9.596 -17.140 -7.266 1.00 0.00 O ATOM 179 CB GLU A 12 11.386 -14.955 -8.836 1.00 0.00 C ATOM 180 CG GLU A 12 11.010 -13.548 -8.314 1.00 0.00 C ATOM 181 CD GLU A 12 10.713 -12.538 -9.433 1.00 0.00 C ATOM 182 OE1 GLU A 12 9.555 -12.469 -9.891 1.00 0.00 O ATOM 183 OE2 GLU A 12 11.638 -11.820 -9.870 1.00 0.00 O ATOM 0 H GLU A 12 11.968 -17.449 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 12 12.415 -15.525 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.269 -14.874 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.577 -15.329 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.136 -13.630 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.826 -13.167 -7.699 1.00 0.00 H new ATOM 190 N ILE A 13 10.216 -15.542 -5.777 1.00 0.00 N ATOM 191 CA ILE A 13 9.169 -15.804 -4.784 1.00 0.00 C ATOM 192 C ILE A 13 8.325 -14.532 -4.625 1.00 0.00 C ATOM 193 O ILE A 13 8.810 -13.517 -4.108 1.00 0.00 O ATOM 194 CB ILE A 13 9.787 -16.227 -3.392 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.782 -17.423 -3.545 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.675 -16.563 -2.374 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.194 -18.697 -4.128 1.00 0.00 C ATOM 0 H ILE A 13 10.802 -14.741 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 13 8.548 -16.631 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 13 10.352 -15.376 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.610 -17.104 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.199 -17.652 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.126 -16.851 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.042 -15.688 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.071 -17.387 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.969 -19.460 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.386 -19.051 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.804 -18.494 -5.125 1.00 0.00 H new ATOM 209 N LEU A 14 7.078 -14.596 -5.105 1.00 0.00 N ATOM 210 CA LEU A 14 6.156 -13.456 -5.109 1.00 0.00 C ATOM 211 C LEU A 14 5.483 -13.298 -3.727 1.00 0.00 C ATOM 212 O LEU A 14 4.822 -14.226 -3.246 1.00 0.00 O ATOM 213 CB LEU A 14 5.101 -13.647 -6.233 1.00 0.00 C ATOM 214 CG LEU A 14 5.673 -13.736 -7.691 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.570 -14.124 -8.694 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.363 -12.410 -8.104 1.00 0.00 C ATOM 0 H LEU A 14 6.678 -15.445 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 14 6.713 -12.541 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.537 -14.557 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.395 -12.818 -6.189 1.00 0.00 H new ATOM 0 HG LEU A 14 6.429 -14.521 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.993 -14.179 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.156 -15.095 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.780 -13.374 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.750 -12.502 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.640 -11.595 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.185 -12.199 -7.420 1.00 0.00 H new ATOM 228 N ASN A 15 5.712 -12.117 -3.110 1.00 0.00 N ATOM 229 CA ASN A 15 5.071 -11.660 -1.860 1.00 0.00 C ATOM 230 C ASN A 15 5.462 -12.526 -0.659 1.00 0.00 C ATOM 231 O ASN A 15 4.709 -13.413 -0.231 1.00 0.00 O ATOM 232 CB ASN A 15 3.532 -11.536 -2.002 1.00 0.00 C ATOM 233 CG ASN A 15 3.126 -10.532 -3.086 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.025 -9.332 -2.832 1.00 0.00 O ATOM 235 ND2 ASN A 15 2.890 -11.012 -4.300 1.00 0.00 N ATOM 0 H ASN A 15 6.371 -11.434 -3.483 1.00 0.00 H new ATOM 0 HA ASN A 15 5.453 -10.658 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.112 -12.513 -2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.105 -11.229 -1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.617 -10.381 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.982 -12.012 -4.480 1.00 0.00 H new ATOM 242 N VAL A 16 6.676 -12.279 -0.154 1.00 0.00 N ATOM 243 CA VAL A 16 7.195 -12.929 1.054 1.00 0.00 C ATOM 244 C VAL A 16 7.924 -11.888 1.923 1.00 0.00 C ATOM 245 O VAL A 16 8.545 -10.948 1.400 1.00 0.00 O ATOM 246 CB VAL A 16 8.149 -14.137 0.695 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.375 -13.694 -0.139 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.600 -14.901 1.959 1.00 0.00 C ATOM 0 H VAL A 16 7.330 -11.619 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 16 6.357 -13.340 1.617 1.00 0.00 H new ATOM 0 HB VAL A 16 7.562 -14.816 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.998 -14.561 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.037 -13.244 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.955 -12.964 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.254 -15.724 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.138 -14.223 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.726 -15.296 2.477 1.00 0.00 H new ATOM 258 N SER A 17 7.795 -12.034 3.249 1.00 0.00 N ATOM 259 CA SER A 17 8.544 -11.228 4.215 1.00 0.00 C ATOM 260 C SER A 17 10.019 -11.652 4.204 1.00 0.00 C ATOM 261 O SER A 17 10.322 -12.827 3.946 1.00 0.00 O ATOM 262 CB SER A 17 7.940 -11.397 5.624 1.00 0.00 C ATOM 263 OG SER A 17 6.596 -10.943 5.667 1.00 0.00 O ATOM 0 H SER A 17 7.168 -12.714 3.679 1.00 0.00 H new ATOM 0 HA SER A 17 8.479 -10.176 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.981 -12.446 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.537 -10.841 6.347 1.00 0.00 H new ATOM 0 HG SER A 17 6.239 -11.064 6.571 1.00 0.00 H new ATOM 269 N GLU A 18 10.918 -10.693 4.499 1.00 0.00 N ATOM 270 CA GLU A 18 12.375 -10.927 4.480 1.00 0.00 C ATOM 271 C GLU A 18 12.751 -12.126 5.375 1.00 0.00 C ATOM 272 O GLU A 18 13.594 -12.923 4.994 1.00 0.00 O ATOM 273 CB GLU A 18 13.174 -9.681 4.931 1.00 0.00 C ATOM 274 CG GLU A 18 12.866 -8.367 4.176 1.00 0.00 C ATOM 275 CD GLU A 18 11.860 -7.461 4.913 1.00 0.00 C ATOM 276 OE1 GLU A 18 10.640 -7.719 4.841 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.295 -6.511 5.600 1.00 0.00 O ATOM 0 H GLU A 18 10.657 -9.741 4.755 1.00 0.00 H new ATOM 0 HA GLU A 18 12.641 -11.145 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.987 -9.519 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.237 -9.897 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.795 -7.818 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.472 -8.607 3.189 1.00 0.00 H new ATOM 284 N GLN A 19 12.062 -12.257 6.533 1.00 0.00 N ATOM 285 CA GLN A 19 12.314 -13.332 7.513 1.00 0.00 C ATOM 286 C GLN A 19 12.150 -14.742 6.892 1.00 0.00 C ATOM 287 O GLN A 19 13.081 -15.545 6.934 1.00 0.00 O ATOM 288 CB GLN A 19 11.416 -13.147 8.769 1.00 0.00 C ATOM 289 CG GLN A 19 9.894 -13.047 8.499 1.00 0.00 C ATOM 290 CD GLN A 19 9.055 -12.902 9.768 1.00 0.00 C ATOM 291 OE1 GLN A 19 9.499 -12.331 10.766 1.00 0.00 O ATOM 292 NE2 GLN A 19 7.836 -13.419 9.742 1.00 0.00 N ATOM 0 H GLN A 19 11.316 -11.619 6.811 1.00 0.00 H new ATOM 0 HA GLN A 19 13.355 -13.255 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.592 -13.984 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.734 -12.244 9.290 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.704 -12.193 7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.570 -13.937 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.498 -13.885 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.235 -13.351 10.564 1.00 0.00 H new ATOM 301 N GLU A 20 10.983 -15.007 6.273 1.00 0.00 N ATOM 302 CA GLU A 20 10.670 -16.325 5.678 1.00 0.00 C ATOM 303 C GLU A 20 11.551 -16.578 4.442 1.00 0.00 C ATOM 304 O GLU A 20 11.998 -17.715 4.202 1.00 0.00 O ATOM 305 CB GLU A 20 9.154 -16.427 5.339 1.00 0.00 C ATOM 306 CG GLU A 20 8.746 -17.721 4.605 1.00 0.00 C ATOM 307 CD GLU A 20 7.227 -17.892 4.426 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.624 -17.123 3.652 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.628 -18.791 5.057 1.00 0.00 O ATOM 0 H GLU A 20 10.235 -14.321 6.171 1.00 0.00 H new ATOM 0 HA GLU A 20 10.894 -17.104 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.582 -16.354 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.874 -15.572 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.220 -17.734 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.134 -18.577 5.157 1.00 0.00 H new ATOM 316 N ALA A 21 11.776 -15.501 3.664 1.00 0.00 N ATOM 317 CA ALA A 21 12.736 -15.492 2.549 1.00 0.00 C ATOM 318 C ALA A 21 14.117 -16.055 2.978 1.00 0.00 C ATOM 319 O ALA A 21 14.636 -16.954 2.315 1.00 0.00 O ATOM 320 CB ALA A 21 12.869 -14.072 1.972 1.00 0.00 C ATOM 0 H ALA A 21 11.294 -14.611 3.794 1.00 0.00 H new ATOM 0 HA ALA A 21 12.352 -16.148 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.582 -14.079 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.898 -13.734 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.221 -13.395 2.750 1.00 0.00 H new ATOM 326 N ARG A 22 14.659 -15.559 4.118 1.00 0.00 N ATOM 327 CA ARG A 22 15.978 -16.007 4.656 1.00 0.00 C ATOM 328 C ARG A 22 15.979 -17.520 4.942 1.00 0.00 C ATOM 329 O ARG A 22 16.822 -18.268 4.443 1.00 0.00 O ATOM 330 CB ARG A 22 16.321 -15.318 6.006 1.00 0.00 C ATOM 331 CG ARG A 22 16.363 -13.784 6.013 1.00 0.00 C ATOM 332 CD ARG A 22 16.497 -13.217 7.443 1.00 0.00 C ATOM 333 NE ARG A 22 15.528 -13.839 8.379 1.00 0.00 N ATOM 334 CZ ARG A 22 15.398 -13.565 9.686 1.00 0.00 C ATOM 335 NH1 ARG A 22 16.128 -12.623 10.271 1.00 0.00 N ATOM 336 NH2 ARG A 22 14.521 -14.251 10.402 1.00 0.00 N ATOM 0 H ARG A 22 14.204 -14.846 4.688 1.00 0.00 H new ATOM 0 HA ARG A 22 16.708 -15.743 3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.589 -15.640 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.292 -15.685 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.202 -13.441 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.456 -13.394 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.511 -13.385 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.340 -12.139 7.422 1.00 0.00 H new ATOM 0 HE ARG A 22 14.900 -14.543 7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.805 -12.090 9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.012 -12.432 11.266 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.956 -14.976 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.410 -14.055 11.397 1.00 0.00 H new ATOM 350 N ASP A 23 14.990 -17.930 5.761 1.00 0.00 N ATOM 351 CA ASP A 23 14.982 -19.232 6.451 1.00 0.00 C ATOM 352 C ASP A 23 14.587 -20.364 5.501 1.00 0.00 C ATOM 353 O ASP A 23 15.388 -21.268 5.228 1.00 0.00 O ATOM 354 CB ASP A 23 14.031 -19.177 7.684 1.00 0.00 C ATOM 355 CG ASP A 23 14.598 -18.319 8.833 1.00 0.00 C ATOM 356 OD1 ASP A 23 15.458 -18.827 9.587 1.00 0.00 O ATOM 357 OD2 ASP A 23 14.217 -17.135 8.976 1.00 0.00 O ATOM 0 H ASP A 23 14.168 -17.361 5.963 1.00 0.00 H new ATOM 0 HA ASP A 23 15.993 -19.442 6.800 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.066 -18.774 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.852 -20.190 8.046 1.00 0.00 H new ATOM 362 N VAL A 24 13.362 -20.283 4.968 1.00 0.00 N ATOM 363 CA VAL A 24 12.761 -21.356 4.154 1.00 0.00 C ATOM 364 C VAL A 24 13.301 -21.314 2.718 1.00 0.00 C ATOM 365 O VAL A 24 13.824 -22.308 2.209 1.00 0.00 O ATOM 366 CB VAL A 24 11.186 -21.249 4.130 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.555 -22.471 3.400 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.617 -21.092 5.566 1.00 0.00 C ATOM 0 H VAL A 24 12.755 -19.472 5.087 1.00 0.00 H new ATOM 0 HA VAL A 24 13.036 -22.305 4.614 1.00 0.00 H new ATOM 0 HB VAL A 24 10.917 -20.354 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.469 -22.373 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.918 -22.509 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.835 -23.388 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.530 -21.020 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.899 -21.957 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.022 -20.188 6.021 1.00 0.00 H new ATOM 378 N PHE A 25 13.189 -20.134 2.090 1.00 0.00 N ATOM 379 CA PHE A 25 13.519 -19.944 0.664 1.00 0.00 C ATOM 380 C PHE A 25 15.032 -19.798 0.429 1.00 0.00 C ATOM 381 O PHE A 25 15.489 -19.914 -0.712 1.00 0.00 O ATOM 382 CB PHE A 25 12.733 -18.735 0.095 1.00 0.00 C ATOM 383 CG PHE A 25 11.216 -18.929 0.137 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.598 -19.874 -0.682 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.409 -18.185 0.996 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.230 -20.059 -0.651 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.039 -18.372 1.023 1.00 0.00 C ATOM 388 CZ PHE A 25 8.453 -19.311 0.203 1.00 0.00 C ATOM 0 H PHE A 25 12.868 -19.284 2.553 1.00 0.00 H new ATOM 0 HA PHE A 25 13.214 -20.842 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.994 -17.841 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.042 -18.561 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.200 -20.471 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.860 -17.453 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.770 -20.791 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.427 -17.781 1.688 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.384 -19.460 0.231 1.00 0.00 H new ATOM 398 N GLY A 26 15.799 -19.571 1.516 1.00 0.00 N ATOM 399 CA GLY A 26 17.259 -19.463 1.435 1.00 0.00 C ATOM 400 C GLY A 26 17.723 -18.295 0.572 1.00 0.00 C ATOM 401 O GLY A 26 18.689 -18.412 -0.191 1.00 0.00 O ATOM 0 H GLY A 26 15.425 -19.460 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.666 -19.349 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.664 -20.390 1.030 1.00 0.00 H new ATOM 405 N ALA A 27 17.026 -17.164 0.719 1.00 0.00 N ATOM 406 CA ALA A 27 17.239 -15.968 -0.096 1.00 0.00 C ATOM 407 C ALA A 27 18.574 -15.306 0.232 1.00 0.00 C ATOM 408 O ALA A 27 18.973 -15.236 1.406 1.00 0.00 O ATOM 409 CB ALA A 27 16.101 -14.967 0.117 1.00 0.00 C ATOM 0 H ALA A 27 16.290 -17.054 1.416 1.00 0.00 H new ATOM 0 HA ALA A 27 17.255 -16.278 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.275 -14.083 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.154 -15.426 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.062 -14.678 1.167 1.00 0.00 H new ATOM 415 N SER A 28 19.251 -14.833 -0.819 1.00 0.00 N ATOM 416 CA SER A 28 20.472 -14.044 -0.683 1.00 0.00 C ATOM 417 C SER A 28 20.145 -12.681 -0.057 1.00 0.00 C ATOM 418 O SER A 28 19.068 -12.119 -0.300 1.00 0.00 O ATOM 419 CB SER A 28 21.149 -13.851 -2.056 1.00 0.00 C ATOM 420 OG SER A 28 22.346 -13.096 -1.940 1.00 0.00 O ATOM 0 H SER A 28 18.965 -14.988 -1.786 1.00 0.00 H new ATOM 0 HA SER A 28 21.163 -14.579 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 28 21.371 -14.824 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 28 20.462 -13.345 -2.735 1.00 0.00 H new ATOM 0 HG SER A 28 22.835 -13.126 -2.789 1.00 0.00 H new ATOM 426 N GLU A 29 21.097 -12.164 0.730 1.00 0.00 N ATOM 427 CA GLU A 29 21.004 -10.831 1.343 1.00 0.00 C ATOM 428 C GLU A 29 21.130 -9.746 0.255 1.00 0.00 C ATOM 429 O GLU A 29 20.685 -8.626 0.445 1.00 0.00 O ATOM 430 CB GLU A 29 22.098 -10.665 2.420 1.00 0.00 C ATOM 431 CG GLU A 29 21.984 -11.674 3.574 1.00 0.00 C ATOM 432 CD GLU A 29 23.153 -11.599 4.569 1.00 0.00 C ATOM 433 OE1 GLU A 29 23.128 -10.728 5.468 1.00 0.00 O ATOM 434 OE2 GLU A 29 24.084 -12.422 4.477 1.00 0.00 O ATOM 0 H GLU A 29 21.958 -12.660 0.961 1.00 0.00 H new ATOM 0 HA GLU A 29 20.033 -10.722 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.076 -10.771 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.046 -9.655 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.050 -11.499 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.932 -12.682 3.162 1.00 0.00 H new ATOM 441 N GLN A 30 21.753 -10.122 -0.880 1.00 0.00 N ATOM 442 CA GLN A 30 21.756 -9.324 -2.120 1.00 0.00 C ATOM 443 C GLN A 30 20.322 -9.081 -2.625 1.00 0.00 C ATOM 444 O GLN A 30 19.949 -7.953 -2.954 1.00 0.00 O ATOM 445 CB GLN A 30 22.574 -10.066 -3.214 1.00 0.00 C ATOM 446 CG GLN A 30 24.089 -10.143 -2.946 1.00 0.00 C ATOM 447 CD GLN A 30 24.811 -8.794 -3.045 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.389 -7.934 -3.970 1.00 0.00 O flip ATOM 449 NE2 GLN A 30 25.772 -8.539 -2.318 1.00 0.00 N flip ATOM 0 H GLN A 30 22.272 -10.996 -0.961 1.00 0.00 H new ATOM 0 HA GLN A 30 22.213 -8.358 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.185 -11.079 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 30 22.413 -9.567 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.251 -10.557 -1.951 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.538 -10.837 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.075 -9.215 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.265 -7.651 -2.417 1.00 0.00 H new ATOM 458 N ALA A 31 19.523 -10.164 -2.639 1.00 0.00 N ATOM 459 CA ALA A 31 18.150 -10.132 -3.155 1.00 0.00 C ATOM 460 C ALA A 31 17.219 -9.431 -2.157 1.00 0.00 C ATOM 461 O ALA A 31 16.545 -8.488 -2.513 1.00 0.00 O ATOM 462 CB ALA A 31 17.667 -11.552 -3.461 1.00 0.00 C ATOM 0 H ALA A 31 19.813 -11.079 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 31 18.134 -9.562 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.647 -11.515 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.318 -12.005 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.691 -12.149 -2.549 1.00 0.00 H new ATOM 468 N ILE A 32 17.178 -9.941 -0.913 1.00 0.00 N ATOM 469 CA ILE A 32 16.523 -9.260 0.239 1.00 0.00 C ATOM 470 C ILE A 32 16.843 -7.741 0.363 1.00 0.00 C ATOM 471 O ILE A 32 15.951 -6.960 0.718 1.00 0.00 O ATOM 472 CB ILE A 32 16.883 -9.998 1.586 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.382 -11.481 1.546 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.307 -9.261 2.826 1.00 0.00 C ATOM 475 CD1 ILE A 32 16.862 -12.354 2.696 1.00 0.00 C ATOM 0 H ILE A 32 17.597 -10.839 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 32 15.453 -9.322 0.043 1.00 0.00 H new ATOM 0 HB ILE A 32 17.969 -9.992 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.292 -11.480 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.705 -11.932 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.579 -9.804 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.716 -8.252 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.221 -9.209 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.463 -13.361 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 32 17.951 -12.393 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.516 -11.934 3.641 1.00 0.00 H new ATOM 487 N ALA A 33 18.071 -7.320 0.011 1.00 0.00 N ATOM 488 CA ALA A 33 18.454 -5.894 0.114 1.00 0.00 C ATOM 489 C ALA A 33 17.823 -5.116 -1.051 1.00 0.00 C ATOM 490 O ALA A 33 17.070 -4.161 -0.837 1.00 0.00 O ATOM 491 CB ALA A 33 19.980 -5.713 0.112 1.00 0.00 C ATOM 0 H ALA A 33 18.806 -7.932 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 33 18.084 -5.506 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.221 -4.653 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.411 -6.245 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.393 -6.112 -0.815 1.00 0.00 H new ATOM 497 N ASP A 34 18.160 -5.563 -2.278 1.00 0.00 N ATOM 498 CA ASP A 34 17.664 -4.998 -3.552 1.00 0.00 C ATOM 499 C ASP A 34 16.132 -4.873 -3.598 1.00 0.00 C ATOM 500 O ASP A 34 15.594 -3.810 -3.919 1.00 0.00 O ATOM 501 CB ASP A 34 18.131 -5.883 -4.736 1.00 0.00 C ATOM 502 CG ASP A 34 17.754 -5.295 -6.110 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.404 -4.327 -6.548 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.798 -5.792 -6.749 1.00 0.00 O ATOM 0 H ASP A 34 18.800 -6.346 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 34 18.079 -3.993 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.213 -6.009 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.690 -6.875 -4.638 1.00 0.00 H new ATOM 509 N ALA A 35 15.465 -5.972 -3.268 1.00 0.00 N ATOM 510 CA ALA A 35 14.007 -6.098 -3.354 1.00 0.00 C ATOM 511 C ALA A 35 13.297 -5.344 -2.222 1.00 0.00 C ATOM 512 O ALA A 35 12.167 -4.900 -2.406 1.00 0.00 O ATOM 513 CB ALA A 35 13.603 -7.579 -3.377 1.00 0.00 C ATOM 0 H ALA A 35 15.925 -6.816 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 35 13.686 -5.635 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.518 -7.659 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.054 -8.066 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.950 -8.065 -2.465 1.00 0.00 H new ATOM 519 N ARG A 36 13.948 -5.216 -1.039 1.00 0.00 N ATOM 520 CA ARG A 36 13.428 -4.344 0.043 1.00 0.00 C ATOM 521 C ARG A 36 13.445 -2.897 -0.441 1.00 0.00 C ATOM 522 O ARG A 36 12.426 -2.213 -0.416 1.00 0.00 O ATOM 523 CB ARG A 36 14.252 -4.463 1.351 1.00 0.00 C ATOM 524 CG ARG A 36 13.814 -3.483 2.467 1.00 0.00 C ATOM 525 CD ARG A 36 14.690 -3.564 3.722 1.00 0.00 C ATOM 526 NE ARG A 36 14.606 -4.884 4.380 1.00 0.00 N ATOM 527 CZ ARG A 36 15.645 -5.634 4.774 1.00 0.00 C ATOM 528 NH1 ARG A 36 16.889 -5.341 4.402 1.00 0.00 N ATOM 529 NH2 ARG A 36 15.413 -6.726 5.495 1.00 0.00 N ATOM 0 H ARG A 36 14.819 -5.696 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 36 12.413 -4.667 0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.172 -5.483 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.303 -4.289 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.841 -2.465 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.780 -3.693 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.726 -3.360 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.385 -2.790 4.426 1.00 0.00 H new ATOM 0 HE ARG A 36 13.673 -5.259 4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.066 -4.532 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.665 -5.925 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.456 -6.982 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.191 -7.308 5.803 1.00 0.00 H new ATOM 543 N LYS A 37 14.636 -2.480 -0.901 1.00 0.00 N ATOM 544 CA LYS A 37 14.891 -1.163 -1.495 1.00 0.00 C ATOM 545 C LYS A 37 13.892 -0.833 -2.610 1.00 0.00 C ATOM 546 O LYS A 37 13.385 0.271 -2.654 1.00 0.00 O ATOM 547 CB LYS A 37 16.338 -1.142 -2.053 1.00 0.00 C ATOM 548 CG LYS A 37 16.728 0.101 -2.896 1.00 0.00 C ATOM 549 CD LYS A 37 18.058 -0.096 -3.660 1.00 0.00 C ATOM 550 CE LYS A 37 18.013 -1.315 -4.611 1.00 0.00 C ATOM 551 NZ LYS A 37 19.285 -1.518 -5.347 1.00 0.00 N ATOM 0 H LYS A 37 15.469 -3.068 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 37 14.769 -0.405 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.030 -1.218 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.482 -2.031 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.932 0.317 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.814 0.968 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.281 0.803 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.870 -0.226 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.785 -2.212 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.202 -1.182 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.254 -2.428 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.416 -0.747 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.078 -1.521 -4.675 1.00 0.00 H new ATOM 565 N ALA A 38 13.578 -1.827 -3.457 1.00 0.00 N ATOM 566 CA ALA A 38 12.768 -1.617 -4.667 1.00 0.00 C ATOM 567 C ALA A 38 11.268 -1.573 -4.334 1.00 0.00 C ATOM 568 O ALA A 38 10.534 -0.750 -4.896 1.00 0.00 O ATOM 569 CB ALA A 38 13.063 -2.713 -5.699 1.00 0.00 C ATOM 0 H ALA A 38 13.877 -2.793 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 38 13.039 -0.652 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.457 -2.546 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.119 -2.685 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.822 -3.687 -5.274 1.00 0.00 H new ATOM 575 N THR A 39 10.826 -2.472 -3.420 1.00 0.00 N ATOM 576 CA THR A 39 9.427 -2.506 -2.946 1.00 0.00 C ATOM 577 C THR A 39 9.099 -1.196 -2.214 1.00 0.00 C ATOM 578 O THR A 39 8.102 -0.559 -2.519 1.00 0.00 O ATOM 579 CB THR A 39 9.132 -3.733 -2.013 1.00 0.00 C ATOM 580 OG1 THR A 39 9.427 -4.949 -2.713 1.00 0.00 O ATOM 581 CG2 THR A 39 7.667 -3.775 -1.553 1.00 0.00 C ATOM 0 H THR A 39 11.423 -3.183 -2.998 1.00 0.00 H new ATOM 0 HA THR A 39 8.789 -2.616 -3.823 1.00 0.00 H new ATOM 0 HB THR A 39 9.763 -3.627 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.393 -5.110 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.512 -4.641 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.433 -2.866 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.014 -3.848 -2.423 1.00 0.00 H new ATOM 589 N ILE A 40 9.993 -0.796 -1.284 1.00 0.00 N ATOM 590 CA ILE A 40 9.902 0.479 -0.544 1.00 0.00 C ATOM 591 C ILE A 40 9.871 1.670 -1.518 1.00 0.00 C ATOM 592 O ILE A 40 8.904 2.409 -1.531 1.00 0.00 O ATOM 593 CB ILE A 40 11.091 0.622 0.494 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.877 -0.336 1.711 1.00 0.00 C ATOM 595 CG2 ILE A 40 11.304 2.085 0.979 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.704 0.034 2.615 1.00 0.00 C ATOM 0 H ILE A 40 10.805 -1.355 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 40 8.969 0.478 0.020 1.00 0.00 H new ATOM 0 HB ILE A 40 12.000 0.334 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.725 -1.348 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.788 -0.351 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.132 2.117 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.533 2.722 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.396 2.443 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.633 -0.685 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.860 1.032 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.780 0.019 2.037 1.00 0.00 H new ATOM 608 N LEU A 41 10.906 1.781 -2.369 1.00 0.00 N ATOM 609 CA LEU A 41 11.057 2.878 -3.371 1.00 0.00 C ATOM 610 C LEU A 41 9.803 3.022 -4.259 1.00 0.00 C ATOM 611 O LEU A 41 9.447 4.135 -4.672 1.00 0.00 O ATOM 612 CB LEU A 41 12.373 2.640 -4.203 1.00 0.00 C ATOM 613 CG LEU A 41 12.488 3.221 -5.666 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.956 3.560 -6.014 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.930 2.220 -6.716 1.00 0.00 C ATOM 0 H LEU A 41 11.675 1.111 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 41 11.151 3.831 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.202 3.047 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.528 1.563 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 41 11.892 4.133 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.007 3.958 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.334 4.304 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.563 2.657 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.023 2.649 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.495 1.289 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.880 2.019 -6.505 1.00 0.00 H new ATOM 627 N GLN A 42 9.126 1.892 -4.514 1.00 0.00 N ATOM 628 CA GLN A 42 7.886 1.853 -5.294 1.00 0.00 C ATOM 629 C GLN A 42 6.691 2.294 -4.419 1.00 0.00 C ATOM 630 O GLN A 42 5.880 3.113 -4.842 1.00 0.00 O ATOM 631 CB GLN A 42 7.692 0.418 -5.872 1.00 0.00 C ATOM 632 CG GLN A 42 6.427 0.214 -6.728 1.00 0.00 C ATOM 633 CD GLN A 42 6.302 1.207 -7.891 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.752 2.295 -7.735 1.00 0.00 O ATOM 635 NE2 GLN A 42 6.813 0.846 -9.055 1.00 0.00 N ATOM 0 H GLN A 42 9.428 0.976 -4.182 1.00 0.00 H new ATOM 0 HA GLN A 42 7.945 2.551 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.563 0.168 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.666 -0.289 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.429 -0.800 -7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.548 0.304 -6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.264 -0.064 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.757 1.477 -9.854 1.00 0.00 H new ATOM 644 N THR A 43 6.659 1.798 -3.170 1.00 0.00 N ATOM 645 CA THR A 43 5.559 2.029 -2.205 1.00 0.00 C ATOM 646 C THR A 43 5.526 3.504 -1.731 1.00 0.00 C ATOM 647 O THR A 43 4.464 4.024 -1.403 1.00 0.00 O ATOM 648 CB THR A 43 5.692 1.040 -0.988 1.00 0.00 C ATOM 649 OG1 THR A 43 5.644 -0.311 -1.472 1.00 0.00 O ATOM 650 CG2 THR A 43 4.592 1.207 0.075 1.00 0.00 C ATOM 0 H THR A 43 7.406 1.216 -2.792 1.00 0.00 H new ATOM 0 HA THR A 43 4.612 1.832 -2.708 1.00 0.00 H new ATOM 0 HB THR A 43 6.643 1.273 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.515 -0.555 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.753 0.491 0.881 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.626 2.219 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.617 1.029 -0.379 1.00 0.00 H new ATOM 658 N LEU A 44 6.693 4.190 -1.757 1.00 0.00 N ATOM 659 CA LEU A 44 6.790 5.631 -1.405 1.00 0.00 C ATOM 660 C LEU A 44 6.022 6.488 -2.441 1.00 0.00 C ATOM 661 O LEU A 44 5.568 7.592 -2.143 1.00 0.00 O ATOM 662 CB LEU A 44 8.278 6.098 -1.305 1.00 0.00 C ATOM 663 CG LEU A 44 9.233 5.244 -0.391 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.591 5.930 -0.185 1.00 0.00 C ATOM 665 CD2 LEU A 44 8.589 4.859 0.962 1.00 0.00 C ATOM 0 H LEU A 44 7.584 3.769 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 44 6.335 5.767 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.697 6.114 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.287 7.125 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 44 9.407 4.312 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.220 5.308 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.078 6.071 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.441 6.899 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.296 4.271 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.327 5.764 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.689 4.270 0.782 1.00 0.00 H new ATOM 677 N ARG A 45 5.905 5.940 -3.662 1.00 0.00 N ATOM 678 CA ARG A 45 5.175 6.557 -4.783 1.00 0.00 C ATOM 679 C ARG A 45 3.712 6.072 -4.820 1.00 0.00 C ATOM 680 O ARG A 45 2.806 6.839 -5.159 1.00 0.00 O ATOM 681 CB ARG A 45 5.901 6.203 -6.104 1.00 0.00 C ATOM 682 CG ARG A 45 7.371 6.674 -6.148 1.00 0.00 C ATOM 683 CD ARG A 45 8.116 6.231 -7.419 1.00 0.00 C ATOM 684 NE ARG A 45 8.423 4.788 -7.421 1.00 0.00 N ATOM 685 CZ ARG A 45 8.566 4.027 -8.516 1.00 0.00 C ATOM 686 NH1 ARG A 45 8.233 4.481 -9.717 1.00 0.00 N ATOM 687 NH2 ARG A 45 9.002 2.785 -8.391 1.00 0.00 N ATOM 0 H ARG A 45 6.322 5.041 -3.902 1.00 0.00 H new ATOM 0 HA ARG A 45 5.158 7.639 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.870 5.123 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.360 6.651 -6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.399 7.762 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.895 6.286 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.511 6.471 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.044 6.796 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 45 8.536 4.332 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.860 5.425 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.350 3.886 -10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.226 2.414 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.114 2.198 -9.218 1.00 0.00 H new ATOM 701 N ILE A 46 3.497 4.786 -4.473 1.00 0.00 N ATOM 702 CA ILE A 46 2.160 4.151 -4.502 1.00 0.00 C ATOM 703 C ILE A 46 1.239 4.766 -3.429 1.00 0.00 C ATOM 704 O ILE A 46 0.161 5.271 -3.750 1.00 0.00 O ATOM 705 CB ILE A 46 2.247 2.582 -4.315 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.966 1.912 -5.527 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.856 1.945 -4.092 1.00 0.00 C ATOM 708 CD1 ILE A 46 3.040 0.391 -5.467 1.00 0.00 C ATOM 0 H ILE A 46 4.241 4.160 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 46 1.734 4.344 -5.486 1.00 0.00 H new ATOM 0 HB ILE A 46 2.838 2.402 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.449 2.200 -6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.979 2.308 -5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.965 0.867 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.401 2.369 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.220 2.149 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.556 0.017 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.585 0.088 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.032 -0.021 -5.434 1.00 0.00 H new ATOM 720 N GLU A 47 1.716 4.742 -2.166 1.00 0.00 N ATOM 721 CA GLU A 47 0.946 5.159 -0.968 1.00 0.00 C ATOM 722 C GLU A 47 0.312 6.550 -1.113 1.00 0.00 C ATOM 723 O GLU A 47 -0.830 6.739 -0.690 1.00 0.00 O ATOM 724 CB GLU A 47 1.848 5.122 0.295 1.00 0.00 C ATOM 725 CG GLU A 47 2.108 3.730 0.891 1.00 0.00 C ATOM 726 CD GLU A 47 0.863 3.101 1.543 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.404 3.619 2.589 1.00 0.00 O ATOM 728 OE2 GLU A 47 0.334 2.100 1.021 1.00 0.00 O ATOM 0 H GLU A 47 2.661 4.428 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 47 0.129 4.445 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.808 5.575 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.391 5.746 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.470 3.068 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.901 3.804 1.636 1.00 0.00 H new ATOM 735 N ARG A 48 1.051 7.520 -1.712 1.00 0.00 N ATOM 736 CA ARG A 48 0.506 8.872 -1.914 1.00 0.00 C ATOM 737 C ARG A 48 -0.702 8.815 -2.863 1.00 0.00 C ATOM 738 O ARG A 48 -1.797 9.237 -2.495 1.00 0.00 O ATOM 739 CB ARG A 48 1.570 9.914 -2.393 1.00 0.00 C ATOM 740 CG ARG A 48 2.097 9.792 -3.839 1.00 0.00 C ATOM 741 CD ARG A 48 3.026 10.966 -4.241 1.00 0.00 C ATOM 742 NE ARG A 48 2.994 11.219 -5.698 1.00 0.00 N ATOM 743 CZ ARG A 48 3.417 12.344 -6.297 1.00 0.00 C ATOM 744 NH1 ARG A 48 4.002 13.322 -5.603 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.261 12.482 -7.604 1.00 0.00 N ATOM 0 H ARG A 48 2.003 7.388 -2.054 1.00 0.00 H new ATOM 0 HA ARG A 48 0.178 9.231 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.141 10.909 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.424 9.854 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.640 8.853 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.252 9.751 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.723 11.868 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.048 10.743 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 48 2.621 10.481 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.136 13.224 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.316 14.168 -6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.823 11.738 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.579 13.333 -8.069 1.00 0.00 H new ATOM 759 N ASP A 49 -0.511 8.197 -4.043 1.00 0.00 N ATOM 760 CA ASP A 49 -1.550 8.106 -5.078 1.00 0.00 C ATOM 761 C ASP A 49 -2.769 7.323 -4.570 1.00 0.00 C ATOM 762 O ASP A 49 -3.895 7.676 -4.900 1.00 0.00 O ATOM 763 CB ASP A 49 -0.980 7.457 -6.367 1.00 0.00 C ATOM 764 CG ASP A 49 -0.137 8.428 -7.219 1.00 0.00 C ATOM 765 OD1 ASP A 49 1.077 8.586 -6.954 1.00 0.00 O ATOM 766 OD2 ASP A 49 -0.693 9.041 -8.159 1.00 0.00 O ATOM 0 H ASP A 49 0.367 7.748 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.878 9.118 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.366 6.599 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.805 7.078 -6.970 1.00 0.00 H new ATOM 771 N GLU A 50 -2.525 6.297 -3.732 1.00 0.00 N ATOM 772 CA GLU A 50 -3.586 5.443 -3.171 1.00 0.00 C ATOM 773 C GLU A 50 -4.483 6.222 -2.203 1.00 0.00 C ATOM 774 O GLU A 50 -5.698 6.106 -2.272 1.00 0.00 O ATOM 775 CB GLU A 50 -2.992 4.197 -2.469 1.00 0.00 C ATOM 776 CG GLU A 50 -2.393 3.165 -3.438 1.00 0.00 C ATOM 777 CD GLU A 50 -3.387 2.672 -4.508 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.367 1.986 -4.147 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.193 2.958 -5.708 1.00 0.00 O ATOM 0 H GLU A 50 -1.587 6.038 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.201 5.107 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.218 4.519 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.773 3.717 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.527 3.604 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.033 2.309 -2.867 1.00 0.00 H new ATOM 786 N ARG A 51 -3.863 7.024 -1.322 1.00 0.00 N ATOM 787 CA ARG A 51 -4.599 7.847 -0.339 1.00 0.00 C ATOM 788 C ARG A 51 -5.412 8.942 -1.051 1.00 0.00 C ATOM 789 O ARG A 51 -6.553 9.231 -0.662 1.00 0.00 O ATOM 790 CB ARG A 51 -3.625 8.487 0.678 1.00 0.00 C ATOM 791 CG ARG A 51 -2.887 7.480 1.593 1.00 0.00 C ATOM 792 CD ARG A 51 -2.010 8.191 2.637 1.00 0.00 C ATOM 793 NE ARG A 51 -1.407 7.277 3.609 1.00 0.00 N ATOM 794 CZ ARG A 51 -0.880 7.648 4.784 1.00 0.00 C ATOM 795 NH1 ARG A 51 -0.829 8.931 5.157 1.00 0.00 N ATOM 796 NH2 ARG A 51 -0.405 6.727 5.586 1.00 0.00 N ATOM 0 H ARG A 51 -2.849 7.122 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.286 7.195 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.884 9.071 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.182 9.184 1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.616 6.849 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.266 6.823 0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.219 8.738 2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.614 8.927 3.168 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.387 6.285 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.197 9.656 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.422 9.185 6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.440 5.745 5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.000 6.992 6.484 1.00 0.00 H new ATOM 810 N LEU A 52 -4.803 9.537 -2.100 1.00 0.00 N ATOM 811 CA LEU A 52 -5.436 10.589 -2.910 1.00 0.00 C ATOM 812 C LEU A 52 -6.664 10.046 -3.668 1.00 0.00 C ATOM 813 O LEU A 52 -7.720 10.686 -3.676 1.00 0.00 O ATOM 814 CB LEU A 52 -4.404 11.271 -3.872 1.00 0.00 C ATOM 815 CG LEU A 52 -3.597 12.495 -3.290 1.00 0.00 C ATOM 816 CD1 LEU A 52 -2.648 12.108 -2.149 1.00 0.00 C ATOM 817 CD2 LEU A 52 -2.843 13.245 -4.403 1.00 0.00 C ATOM 0 H LEU A 52 -3.859 9.298 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.794 11.363 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.689 10.515 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.938 11.607 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.338 13.167 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.124 12.996 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.222 11.674 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.923 11.379 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.296 14.083 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.142 12.566 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.556 13.617 -5.138 1.00 0.00 H new ATOM 829 N ARG A 53 -6.521 8.853 -4.278 1.00 0.00 N ATOM 830 CA ARG A 53 -7.602 8.234 -5.076 1.00 0.00 C ATOM 831 C ARG A 53 -8.637 7.528 -4.190 1.00 0.00 C ATOM 832 O ARG A 53 -9.750 7.298 -4.633 1.00 0.00 O ATOM 833 CB ARG A 53 -7.022 7.250 -6.127 1.00 0.00 C ATOM 834 CG ARG A 53 -6.442 5.930 -5.564 1.00 0.00 C ATOM 835 CD ARG A 53 -5.703 5.108 -6.634 1.00 0.00 C ATOM 836 NE ARG A 53 -4.608 5.876 -7.265 1.00 0.00 N ATOM 837 CZ ARG A 53 -4.016 5.577 -8.430 1.00 0.00 C ATOM 838 NH1 ARG A 53 -4.336 4.473 -9.101 1.00 0.00 N ATOM 839 NH2 ARG A 53 -3.095 6.395 -8.913 1.00 0.00 N ATOM 0 H ARG A 53 -5.667 8.297 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.115 9.040 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.809 7.004 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.237 7.762 -6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.757 6.157 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.251 5.331 -5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.297 4.204 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.411 4.790 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.275 6.704 -6.772 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.043 3.838 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.875 4.262 -9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.844 7.240 -8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.636 6.180 -9.798 1.00 0.00 H new ATOM 853 N ALA A 54 -8.248 7.171 -2.952 1.00 0.00 N ATOM 854 CA ALA A 54 -9.160 6.523 -1.985 1.00 0.00 C ATOM 855 C ALA A 54 -10.209 7.518 -1.494 1.00 0.00 C ATOM 856 O ALA A 54 -11.378 7.171 -1.300 1.00 0.00 O ATOM 857 CB ALA A 54 -8.381 5.942 -0.798 1.00 0.00 C ATOM 0 H ALA A 54 -7.304 7.320 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.665 5.702 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.076 5.471 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.669 5.199 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.844 6.742 -0.289 1.00 0.00 H new ATOM 863 N CYS A 55 -9.774 8.770 -1.300 1.00 0.00 N ATOM 864 CA CYS A 55 -10.648 9.862 -0.863 1.00 0.00 C ATOM 865 C CYS A 55 -11.201 10.644 -2.075 1.00 0.00 C ATOM 866 O CYS A 55 -11.508 11.835 -1.968 1.00 0.00 O ATOM 867 CB CYS A 55 -9.852 10.779 0.070 1.00 0.00 C ATOM 868 SG CYS A 55 -8.976 9.896 1.384 1.00 0.00 S ATOM 0 H CYS A 55 -8.804 9.053 -1.442 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.506 9.455 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.130 11.344 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.532 11.502 0.521 1.00 0.00 H new ATOM 0 HG CYS A 55 -9.471 10.233 2.538 1.00 0.00 H new ATOM 874 N ASP A 56 -11.349 9.945 -3.223 1.00 0.00 N ATOM 875 CA ASP A 56 -11.959 10.500 -4.452 1.00 0.00 C ATOM 876 C ASP A 56 -13.392 10.974 -4.182 1.00 0.00 C ATOM 877 O ASP A 56 -13.863 11.938 -4.792 1.00 0.00 O ATOM 878 CB ASP A 56 -11.971 9.428 -5.579 1.00 0.00 C ATOM 879 CG ASP A 56 -12.901 8.227 -5.277 1.00 0.00 C ATOM 880 OD1 ASP A 56 -12.555 7.391 -4.420 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.987 8.122 -5.883 1.00 0.00 O ATOM 0 H ASP A 56 -11.047 8.976 -3.323 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.360 11.353 -4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.286 9.896 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.956 9.062 -5.733 1.00 0.00 H new ATOM 886 N TRP A 57 -14.057 10.274 -3.237 1.00 0.00 N ATOM 887 CA TRP A 57 -15.444 10.540 -2.858 1.00 0.00 C ATOM 888 C TRP A 57 -15.602 11.953 -2.251 1.00 0.00 C ATOM 889 O TRP A 57 -16.590 12.611 -2.517 1.00 0.00 O ATOM 890 CB TRP A 57 -15.983 9.445 -1.891 1.00 0.00 C ATOM 891 CG TRP A 57 -15.354 9.419 -0.511 1.00 0.00 C ATOM 892 CD1 TRP A 57 -14.112 8.965 -0.165 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.957 9.874 0.716 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.905 9.122 1.180 1.00 0.00 N ATOM 895 CE2 TRP A 57 -15.020 9.669 1.744 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.187 10.449 1.032 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.286 10.000 3.072 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.450 10.781 2.349 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.500 10.560 3.354 1.00 0.00 C ATOM 0 H TRP A 57 -13.635 9.505 -2.717 1.00 0.00 H new ATOM 0 HA TRP A 57 -16.046 10.505 -3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -17.058 9.584 -1.778 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.835 8.470 -2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.396 8.543 -0.854 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.053 8.870 1.680 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.922 10.632 0.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.559 9.820 3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.404 11.218 2.606 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.731 10.838 4.372 1.00 0.00 H new ATOM 910 N THR A 58 -14.602 12.421 -1.465 1.00 0.00 N ATOM 911 CA THR A 58 -14.638 13.773 -0.844 1.00 0.00 C ATOM 912 C THR A 58 -14.344 14.866 -1.882 1.00 0.00 C ATOM 913 O THR A 58 -14.788 16.008 -1.734 1.00 0.00 O ATOM 914 CB THR A 58 -13.614 13.903 0.332 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.261 13.726 -0.135 1.00 0.00 O ATOM 916 CG2 THR A 58 -13.907 12.889 1.430 1.00 0.00 C ATOM 0 H THR A 58 -13.762 11.886 -1.245 1.00 0.00 H new ATOM 0 HA THR A 58 -15.645 13.905 -0.449 1.00 0.00 H new ATOM 0 HB THR A 58 -13.719 14.908 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.229 12.982 -0.772 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.180 13.003 2.234 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.910 13.057 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.841 11.881 1.021 1.00 0.00 H new ATOM 924 N GLN A 59 -13.584 14.484 -2.924 1.00 0.00 N ATOM 925 CA GLN A 59 -13.078 15.418 -3.952 1.00 0.00 C ATOM 926 C GLN A 59 -14.085 15.601 -5.091 1.00 0.00 C ATOM 927 O GLN A 59 -14.047 16.616 -5.801 1.00 0.00 O ATOM 928 CB GLN A 59 -11.701 14.918 -4.475 1.00 0.00 C ATOM 929 CG GLN A 59 -10.660 14.773 -3.345 1.00 0.00 C ATOM 930 CD GLN A 59 -10.405 16.085 -2.573 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.364 17.166 -3.155 1.00 0.00 O ATOM 932 NE2 GLN A 59 -10.307 16.003 -1.249 1.00 0.00 N ATOM 0 H GLN A 59 -13.301 13.516 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.943 16.400 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.831 13.956 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.325 15.615 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.998 14.009 -2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.720 14.422 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.344 15.093 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.195 16.850 -0.692 1.00 0.00 H new ATOM 941 N VAL A 60 -14.983 14.621 -5.262 1.00 0.00 N ATOM 942 CA VAL A 60 -16.075 14.707 -6.244 1.00 0.00 C ATOM 943 C VAL A 60 -17.241 15.527 -5.645 1.00 0.00 C ATOM 944 O VAL A 60 -17.495 15.467 -4.432 1.00 0.00 O ATOM 945 CB VAL A 60 -16.554 13.275 -6.722 1.00 0.00 C ATOM 946 CG1 VAL A 60 -17.255 12.483 -5.597 1.00 0.00 C ATOM 947 CG2 VAL A 60 -17.441 13.352 -7.992 1.00 0.00 C ATOM 0 H VAL A 60 -14.974 13.752 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 60 -15.704 15.217 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.651 12.725 -6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.564 11.509 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.565 12.346 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.131 13.034 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -17.746 12.347 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -18.325 13.954 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -16.875 13.809 -8.804 1.00 0.00 H new ATOM 957 N GLN A 61 -17.930 16.303 -6.497 1.00 0.00 N ATOM 958 CA GLN A 61 -19.070 17.140 -6.076 1.00 0.00 C ATOM 959 C GLN A 61 -20.334 16.289 -5.811 1.00 0.00 C ATOM 960 O GLN A 61 -21.324 16.800 -5.287 1.00 0.00 O ATOM 961 CB GLN A 61 -19.358 18.235 -7.145 1.00 0.00 C ATOM 962 CG GLN A 61 -19.735 17.708 -8.548 1.00 0.00 C ATOM 963 CD GLN A 61 -20.000 18.831 -9.549 1.00 0.00 C ATOM 964 OE1 GLN A 61 -19.092 19.293 -10.242 1.00 0.00 O ATOM 965 NE2 GLN A 61 -21.241 19.292 -9.622 1.00 0.00 N ATOM 0 H GLN A 61 -17.716 16.369 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.801 17.625 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -20.168 18.868 -6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.476 18.869 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -18.930 17.076 -8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.623 17.080 -8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.970 18.888 -9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -21.466 20.051 -10.266 1.00 0.00 H new ATOM 974 N ASP A 62 -20.277 14.991 -6.190 1.00 0.00 N ATOM 975 CA ASP A 62 -21.378 14.021 -6.004 1.00 0.00 C ATOM 976 C ASP A 62 -21.747 13.848 -4.511 1.00 0.00 C ATOM 977 O ASP A 62 -22.929 13.706 -4.169 1.00 0.00 O ATOM 978 CB ASP A 62 -20.984 12.655 -6.637 1.00 0.00 C ATOM 979 CG ASP A 62 -22.038 11.546 -6.428 1.00 0.00 C ATOM 980 OD1 ASP A 62 -23.052 11.519 -7.158 1.00 0.00 O ATOM 981 OD2 ASP A 62 -21.852 10.693 -5.534 1.00 0.00 O ATOM 0 H ASP A 62 -19.456 14.585 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.263 14.410 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.822 12.793 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.036 12.327 -6.211 1.00 0.00 H new ATOM 986 N VAL A 63 -20.729 13.873 -3.627 1.00 0.00 N ATOM 987 CA VAL A 63 -20.944 13.733 -2.174 1.00 0.00 C ATOM 988 C VAL A 63 -21.545 15.028 -1.595 1.00 0.00 C ATOM 989 O VAL A 63 -21.289 16.132 -2.106 1.00 0.00 O ATOM 990 CB VAL A 63 -19.614 13.354 -1.413 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.611 14.536 -1.356 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.913 12.811 0.007 1.00 0.00 C ATOM 0 H VAL A 63 -19.751 13.989 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.648 12.914 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.139 12.559 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.713 14.225 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.346 14.837 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.069 15.377 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.977 12.559 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.438 13.572 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -20.535 11.919 -0.068 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.362 14.883 -0.545 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.008 16.000 0.131 1.00 0.00 C ATOM 1004 C VAL A 64 -22.359 16.241 1.511 1.00 0.00 C ATOM 1005 O VAL A 64 -22.815 15.758 2.556 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.567 15.794 0.210 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.221 15.944 -1.186 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -24.944 14.431 0.834 1.00 0.00 C ATOM 0 H VAL A 64 -22.592 13.975 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.854 16.906 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.954 16.575 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.298 15.797 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.021 16.942 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.805 15.199 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.029 14.334 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.526 13.626 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.543 14.371 1.846 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.237 16.965 1.466 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.476 17.402 2.654 1.00 0.00 C ATOM 1020 C LEU A 65 -20.531 18.932 2.726 1.00 0.00 C ATOM 1021 O LEU A 65 -20.867 19.592 1.732 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.992 16.924 2.562 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.747 15.383 2.641 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.285 15.016 2.276 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.115 14.848 4.039 1.00 0.00 C ATOM 0 H LEU A 65 -20.819 17.273 0.588 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.915 16.966 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.575 17.288 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.430 17.400 3.366 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.395 14.906 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.154 13.936 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.070 15.346 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.603 15.508 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.938 13.773 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.501 15.343 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.167 15.049 4.240 1.00 0.00 H new ATOM 1037 N THR A 66 -20.190 19.503 3.889 1.00 0.00 N ATOM 1038 CA THR A 66 -20.054 20.960 4.020 1.00 0.00 C ATOM 1039 C THR A 66 -18.786 21.422 3.285 1.00 0.00 C ATOM 1040 O THR A 66 -17.857 20.619 3.060 1.00 0.00 O ATOM 1041 CB THR A 66 -19.994 21.416 5.513 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.816 20.882 6.132 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.240 20.970 6.309 1.00 0.00 C ATOM 0 H THR A 66 -20.004 18.983 4.747 1.00 0.00 H new ATOM 0 HA THR A 66 -20.938 21.418 3.575 1.00 0.00 H new ATOM 0 HB THR A 66 -19.967 22.506 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.779 21.170 7.068 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.153 21.310 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.133 21.402 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.314 19.883 6.290 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.761 22.709 2.891 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.585 23.327 2.257 1.00 0.00 C ATOM 1053 C ALA A 67 -16.341 23.158 3.156 1.00 0.00 C ATOM 1054 O ALA A 67 -15.255 22.841 2.670 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.865 24.809 1.960 1.00 0.00 C ATOM 0 H ALA A 67 -19.551 23.345 3.003 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.383 22.825 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.989 25.258 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.719 24.890 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.086 25.331 2.891 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.554 23.362 4.471 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.551 23.096 5.530 1.00 0.00 C ATOM 1063 C ASP A 68 -14.929 21.684 5.408 1.00 0.00 C ATOM 1064 O ASP A 68 -13.714 21.553 5.319 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.197 23.259 6.932 1.00 0.00 C ATOM 1066 CG ASP A 68 -15.268 22.820 8.086 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -14.319 23.558 8.414 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -15.461 21.715 8.644 1.00 0.00 O ATOM 0 H ASP A 68 -17.437 23.720 4.835 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.750 23.824 5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.477 24.302 7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.116 22.674 6.972 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.791 20.653 5.397 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.362 19.232 5.372 1.00 0.00 C ATOM 1075 C GLN A 69 -14.574 18.919 4.089 1.00 0.00 C ATOM 1076 O GLN A 69 -13.474 18.365 4.141 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.581 18.291 5.524 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.180 18.272 6.942 1.00 0.00 C ATOM 1079 CD GLN A 69 -18.389 17.354 7.059 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.251 16.162 7.337 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -19.576 17.902 6.855 1.00 0.00 N ATOM 0 H GLN A 69 -16.804 20.774 5.405 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.698 19.061 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.353 18.596 4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.282 17.278 5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.416 17.951 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.470 19.285 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -19.648 18.894 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.419 17.333 6.926 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.131 19.356 2.959 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.523 19.200 1.623 1.00 0.00 C ATOM 1092 C LYS A 70 -13.193 19.971 1.494 1.00 0.00 C ATOM 1093 O LYS A 70 -12.335 19.584 0.700 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.541 19.647 0.541 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.661 18.619 0.275 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.787 19.179 -0.634 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.710 18.088 -1.196 1.00 0.00 C ATOM 1098 NZ LYS A 70 -19.737 18.636 -2.111 1.00 0.00 N ATOM 0 H LYS A 70 -16.031 19.836 2.938 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.280 18.147 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.992 20.590 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.007 19.837 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.231 17.732 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.091 18.303 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.383 19.892 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.338 19.728 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.112 17.347 -1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.200 17.570 -0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.463 17.914 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.179 19.471 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.291 18.909 -3.010 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.027 21.042 2.295 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.823 21.904 2.235 1.00 0.00 C ATOM 1114 C ALA A 71 -10.707 21.255 3.068 1.00 0.00 C ATOM 1115 O ALA A 71 -9.573 21.168 2.631 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.130 23.320 2.751 1.00 0.00 C ATOM 0 H ALA A 71 -13.711 21.334 2.993 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.500 21.998 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.229 23.931 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.911 23.769 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.468 23.265 3.786 1.00 0.00 H new ATOM 1122 N THR A 72 -11.079 20.867 4.301 1.00 0.00 N ATOM 1123 CA THR A 72 -10.225 20.102 5.233 1.00 0.00 C ATOM 1124 C THR A 72 -9.614 18.855 4.538 1.00 0.00 C ATOM 1125 O THR A 72 -8.415 18.583 4.668 1.00 0.00 O ATOM 1126 CB THR A 72 -11.019 19.684 6.521 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.767 20.809 7.021 1.00 0.00 O ATOM 1128 CG2 THR A 72 -10.082 19.190 7.632 1.00 0.00 C ATOM 0 H THR A 72 -11.999 21.080 4.687 1.00 0.00 H new ATOM 0 HA THR A 72 -9.408 20.755 5.538 1.00 0.00 H new ATOM 0 HB THR A 72 -11.688 18.871 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.590 20.912 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.670 18.910 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.523 18.324 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.387 19.985 7.902 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.447 18.142 3.758 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.003 17.006 2.926 1.00 0.00 C ATOM 1138 C TRP A 73 -9.103 17.470 1.761 1.00 0.00 C ATOM 1139 O TRP A 73 -8.092 16.829 1.483 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.217 16.201 2.387 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.784 15.195 3.368 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -12.914 15.310 4.134 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.236 13.895 3.667 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.102 14.168 4.870 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.085 13.290 4.607 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.114 13.187 3.223 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -11.847 12.013 5.108 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -9.880 11.921 3.733 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -10.744 11.347 4.665 1.00 0.00 C ATOM 0 H TRP A 73 -11.446 18.336 3.686 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.410 16.351 3.565 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.005 16.900 2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.916 15.677 1.480 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.562 16.174 4.155 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.877 14.000 5.512 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.443 13.620 2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.517 11.564 5.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.013 11.368 3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.535 10.357 5.042 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.474 18.584 1.099 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.725 19.130 -0.064 1.00 0.00 C ATOM 1162 C ALA A 74 -7.353 19.704 0.352 1.00 0.00 C ATOM 1163 O ALA A 74 -6.419 19.759 -0.456 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.568 20.203 -0.774 1.00 0.00 C ATOM 0 H ALA A 74 -10.297 19.133 1.349 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.534 18.308 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.013 20.598 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.501 19.760 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.789 21.012 -0.078 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.249 20.119 1.625 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.008 20.650 2.213 1.00 0.00 C ATOM 1172 C LYS A 75 -5.093 19.487 2.612 1.00 0.00 C ATOM 1173 O LYS A 75 -3.878 19.577 2.460 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.332 21.563 3.431 1.00 0.00 C ATOM 1175 CG LYS A 75 -6.861 22.962 3.039 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.222 23.859 4.249 1.00 0.00 C ATOM 1177 CE LYS A 75 -8.477 23.394 5.008 1.00 0.00 C ATOM 1178 NZ LYS A 75 -8.814 24.290 6.143 1.00 0.00 N ATOM 0 H LYS A 75 -8.030 20.095 2.280 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.488 21.261 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.073 21.067 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.432 21.681 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.107 23.469 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.744 22.843 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.378 23.881 4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.376 24.880 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.321 23.351 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.319 22.382 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.666 23.936 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.021 24.312 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.992 25.251 5.786 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.707 18.404 3.128 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.031 17.121 3.391 1.00 0.00 C ATOM 1194 C TYR A 76 -4.434 16.548 2.082 1.00 0.00 C ATOM 1195 O TYR A 76 -3.325 16.009 2.079 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.049 16.134 4.050 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.671 14.647 4.007 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.446 14.190 4.490 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.536 13.703 3.453 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.106 12.859 4.416 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.201 12.371 3.397 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.984 11.954 3.867 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.634 10.625 3.768 1.00 0.00 O ATOM 0 H TYR A 76 -6.696 18.397 3.376 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.201 17.271 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.183 16.424 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.014 16.257 3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.753 14.892 4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.489 14.025 3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.149 12.525 4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.896 11.655 2.983 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.369 10.123 3.358 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.197 16.677 0.988 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.767 16.255 -0.356 1.00 0.00 C ATOM 1215 C ARG A 77 -3.533 17.037 -0.815 1.00 0.00 C ATOM 1216 O ARG A 77 -2.510 16.439 -1.168 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.915 16.441 -1.374 1.00 0.00 C ATOM 1218 CG ARG A 77 -7.104 15.476 -1.209 1.00 0.00 C ATOM 1219 CD ARG A 77 -6.819 14.054 -1.713 1.00 0.00 C ATOM 1220 NE ARG A 77 -5.748 13.386 -0.960 1.00 0.00 N ATOM 1221 CZ ARG A 77 -5.922 12.479 -0.001 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -7.126 12.156 0.414 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -4.872 11.909 0.550 1.00 0.00 N ATOM 0 H ARG A 77 -6.134 17.079 1.008 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.503 15.199 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.285 17.463 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.510 16.324 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.380 15.430 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.963 15.877 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.730 13.460 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.544 14.095 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.788 13.639 -1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.945 12.602 0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.242 11.459 1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.933 12.163 0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.997 11.213 1.285 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.666 18.376 -0.812 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.605 19.294 -1.244 1.00 0.00 C ATOM 1239 C GLN A 78 -1.333 19.136 -0.388 1.00 0.00 C ATOM 1240 O GLN A 78 -0.210 19.238 -0.902 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.130 20.754 -1.223 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.108 21.819 -1.693 1.00 0.00 C ATOM 1243 CD GLN A 78 -1.598 21.633 -3.135 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -2.458 21.188 -4.050 1.00 0.00 O flip ATOM 1245 NE2 GLN A 78 -0.442 21.925 -3.434 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.517 18.850 -0.508 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.326 19.041 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.015 20.816 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.446 20.997 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.567 22.804 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.254 21.806 -1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.200 22.264 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.125 21.828 -4.399 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.533 18.854 0.900 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.435 18.647 1.852 1.00 0.00 C ATOM 1256 C ALA A 79 0.346 17.372 1.506 1.00 0.00 C ATOM 1257 O ALA A 79 1.554 17.421 1.271 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.976 18.591 3.286 1.00 0.00 C ATOM 0 H ALA A 79 -2.460 18.762 1.315 1.00 0.00 H new ATOM 0 HA ALA A 79 0.252 19.490 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.150 18.437 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.479 19.529 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.684 17.767 3.376 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.362 16.237 1.496 1.00 0.00 N ATOM 1265 CA LEU A 80 0.196 14.907 1.193 1.00 0.00 C ATOM 1266 C LEU A 80 0.942 14.875 -0.162 1.00 0.00 C ATOM 1267 O LEU A 80 2.064 14.366 -0.245 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.989 13.901 1.222 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.671 12.395 1.482 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -1.962 11.616 1.717 1.00 0.00 C ATOM 1271 CD2 LEU A 80 0.118 11.742 0.337 1.00 0.00 C ATOM 0 H LEU A 80 -1.361 16.213 1.702 1.00 0.00 H new ATOM 0 HA LEU A 80 0.947 14.639 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.688 14.231 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.509 13.971 0.267 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.042 12.361 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.726 10.567 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.481 12.025 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.602 11.698 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.308 10.696 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.460 11.804 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.067 12.263 0.206 1.00 0.00 H new ATOM 1283 N ARG A 81 0.297 15.422 -1.209 1.00 0.00 N ATOM 1284 CA ARG A 81 0.802 15.347 -2.599 1.00 0.00 C ATOM 1285 C ARG A 81 2.139 16.100 -2.768 1.00 0.00 C ATOM 1286 O ARG A 81 2.889 15.817 -3.705 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.256 15.879 -3.595 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.422 17.412 -3.614 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.568 17.871 -4.521 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.395 17.448 -5.921 1.00 0.00 N ATOM 1291 CZ ARG A 81 -2.386 17.332 -6.814 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -3.649 17.573 -6.473 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -2.106 16.956 -8.049 1.00 0.00 N ATOM 0 H ARG A 81 -0.585 15.927 -1.120 1.00 0.00 H new ATOM 0 HA ARG A 81 0.991 14.296 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.011 15.545 -4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.219 15.428 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.603 17.766 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.508 17.870 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.508 17.473 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.643 18.958 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.450 17.227 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.875 17.851 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.391 17.480 -7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.142 16.757 -8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.854 16.865 -8.736 1.00 0.00 H new ATOM 1307 N ASP A 82 2.386 17.078 -1.865 1.00 0.00 N ATOM 1308 CA ASP A 82 3.618 17.900 -1.837 1.00 0.00 C ATOM 1309 C ASP A 82 4.884 17.020 -1.711 1.00 0.00 C ATOM 1310 O ASP A 82 5.961 17.395 -2.197 1.00 0.00 O ATOM 1311 CB ASP A 82 3.534 18.909 -0.662 1.00 0.00 C ATOM 1312 CG ASP A 82 4.722 19.884 -0.596 1.00 0.00 C ATOM 1313 OD1 ASP A 82 4.722 20.885 -1.341 1.00 0.00 O ATOM 1314 OD2 ASP A 82 5.661 19.651 0.193 1.00 0.00 O ATOM 0 H ASP A 82 1.726 17.321 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 82 3.695 18.443 -2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.611 19.481 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.477 18.357 0.276 1.00 0.00 H new ATOM 1319 N LEU A 83 4.726 15.849 -1.069 1.00 0.00 N ATOM 1320 CA LEU A 83 5.788 14.830 -0.957 1.00 0.00 C ATOM 1321 C LEU A 83 6.162 14.291 -2.363 1.00 0.00 C ATOM 1322 O LEU A 83 5.271 14.044 -3.186 1.00 0.00 O ATOM 1323 CB LEU A 83 5.351 13.674 -0.005 1.00 0.00 C ATOM 1324 CG LEU A 83 5.474 13.944 1.533 1.00 0.00 C ATOM 1325 CD1 LEU A 83 6.945 14.138 1.956 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.593 15.133 1.981 1.00 0.00 C ATOM 0 H LEU A 83 3.855 15.581 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 83 6.673 15.295 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.313 13.426 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.946 12.793 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 83 5.100 13.058 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.994 14.323 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.514 13.240 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.368 14.988 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.707 15.287 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.901 16.034 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.549 14.918 1.755 1.00 0.00 H new ATOM 1338 N PRO A 84 7.488 14.107 -2.654 1.00 0.00 N ATOM 1339 CA PRO A 84 7.988 13.852 -4.034 1.00 0.00 C ATOM 1340 C PRO A 84 7.521 12.506 -4.652 1.00 0.00 C ATOM 1341 O PRO A 84 7.285 11.524 -3.940 1.00 0.00 O ATOM 1342 CB PRO A 84 9.527 13.872 -3.854 1.00 0.00 C ATOM 1343 CG PRO A 84 9.737 13.468 -2.425 1.00 0.00 C ATOM 1344 CD PRO A 84 8.608 14.120 -1.664 1.00 0.00 C ATOM 0 HA PRO A 84 7.601 14.593 -4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.017 13.180 -4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.938 14.862 -4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.713 12.384 -2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.706 13.805 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.356 13.564 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.862 15.134 -1.354 1.00 0.00 H new ATOM 1352 N GLU A 85 7.404 12.493 -5.999 1.00 0.00 N ATOM 1353 CA GLU A 85 7.155 11.261 -6.787 1.00 0.00 C ATOM 1354 C GLU A 85 8.469 10.487 -7.015 1.00 0.00 C ATOM 1355 O GLU A 85 8.462 9.382 -7.557 1.00 0.00 O ATOM 1356 CB GLU A 85 6.512 11.613 -8.154 1.00 0.00 C ATOM 1357 CG GLU A 85 7.405 12.470 -9.074 1.00 0.00 C ATOM 1358 CD GLU A 85 6.730 12.824 -10.405 1.00 0.00 C ATOM 1359 OE1 GLU A 85 6.000 13.841 -10.460 1.00 0.00 O ATOM 1360 OE2 GLU A 85 6.905 12.080 -11.394 1.00 0.00 O ATOM 0 H GLU A 85 7.479 13.334 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 85 6.468 10.631 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.259 10.688 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.577 12.145 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.676 13.389 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.332 11.933 -9.275 1.00 0.00 H new ATOM 1367 N THR A 86 9.599 11.106 -6.639 1.00 0.00 N ATOM 1368 CA THR A 86 10.932 10.502 -6.748 1.00 0.00 C ATOM 1369 C THR A 86 11.702 10.712 -5.436 1.00 0.00 C ATOM 1370 O THR A 86 11.948 11.853 -5.030 1.00 0.00 O ATOM 1371 CB THR A 86 11.734 11.095 -7.965 1.00 0.00 C ATOM 1372 OG1 THR A 86 11.570 12.519 -8.025 1.00 0.00 O ATOM 1373 CG2 THR A 86 11.311 10.476 -9.307 1.00 0.00 C ATOM 0 H THR A 86 9.611 12.048 -6.248 1.00 0.00 H new ATOM 0 HA THR A 86 10.813 9.433 -6.927 1.00 0.00 H new ATOM 0 HB THR A 86 12.782 10.847 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.619 12.892 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.895 10.920 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.486 9.400 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.252 10.668 -9.478 1.00 0.00 H new ATOM 1381 N VAL A 87 12.044 9.599 -4.762 1.00 0.00 N ATOM 1382 CA VAL A 87 12.798 9.624 -3.497 1.00 0.00 C ATOM 1383 C VAL A 87 14.314 9.795 -3.761 1.00 0.00 C ATOM 1384 O VAL A 87 14.838 9.323 -4.778 1.00 0.00 O ATOM 1385 CB VAL A 87 12.516 8.326 -2.636 1.00 0.00 C ATOM 1386 CG1 VAL A 87 12.892 7.024 -3.393 1.00 0.00 C ATOM 1387 CG2 VAL A 87 13.219 8.390 -1.251 1.00 0.00 C ATOM 0 H VAL A 87 11.806 8.659 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 87 12.456 10.484 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 87 11.440 8.298 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.680 6.162 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.307 6.954 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 87 13.953 7.041 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.001 7.481 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.296 8.479 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.853 9.255 -0.697 1.00 0.00 H new ATOM 1397 N THR A 88 14.996 10.493 -2.838 1.00 0.00 N ATOM 1398 CA THR A 88 16.455 10.685 -2.862 1.00 0.00 C ATOM 1399 C THR A 88 17.182 9.415 -2.337 1.00 0.00 C ATOM 1400 O THR A 88 16.581 8.331 -2.272 1.00 0.00 O ATOM 1401 CB THR A 88 16.823 11.956 -2.022 1.00 0.00 C ATOM 1402 OG1 THR A 88 16.336 11.809 -0.678 1.00 0.00 O ATOM 1403 CG2 THR A 88 16.240 13.244 -2.647 1.00 0.00 C ATOM 0 H THR A 88 14.543 10.946 -2.044 1.00 0.00 H new ATOM 0 HA THR A 88 16.788 10.842 -3.888 1.00 0.00 H new ATOM 0 HB THR A 88 17.909 12.047 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 88 16.570 12.605 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.517 14.103 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 88 16.638 13.372 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.154 13.167 -2.693 1.00 0.00 H new ATOM 1411 N ASP A 89 18.477 9.556 -1.993 1.00 0.00 N ATOM 1412 CA ASP A 89 19.335 8.447 -1.511 1.00 0.00 C ATOM 1413 C ASP A 89 18.748 7.756 -0.259 1.00 0.00 C ATOM 1414 O ASP A 89 18.795 6.524 -0.139 1.00 0.00 O ATOM 1415 CB ASP A 89 20.759 8.982 -1.208 1.00 0.00 C ATOM 1416 CG ASP A 89 21.450 9.575 -2.448 1.00 0.00 C ATOM 1417 OD1 ASP A 89 21.204 10.760 -2.771 1.00 0.00 O ATOM 1418 OD2 ASP A 89 22.220 8.852 -3.121 1.00 0.00 O ATOM 0 H ASP A 89 18.965 10.450 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 89 19.382 7.697 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.698 9.745 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 89 21.370 8.171 -0.810 1.00 0.00 H new ATOM 1423 N LEU A 90 18.194 8.570 0.653 1.00 0.00 N ATOM 1424 CA LEU A 90 17.534 8.102 1.879 1.00 0.00 C ATOM 1425 C LEU A 90 16.548 9.175 2.349 1.00 0.00 C ATOM 1426 O LEU A 90 16.962 10.258 2.795 1.00 0.00 O ATOM 1427 CB LEU A 90 18.574 7.790 2.994 1.00 0.00 C ATOM 1428 CG LEU A 90 17.999 7.333 4.383 1.00 0.00 C ATOM 1429 CD1 LEU A 90 17.145 6.052 4.250 1.00 0.00 C ATOM 1430 CD2 LEU A 90 19.129 7.156 5.426 1.00 0.00 C ATOM 0 H LEU A 90 18.193 9.585 0.557 1.00 0.00 H new ATOM 0 HA LEU A 90 16.999 7.177 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 90 19.242 7.010 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 90 19.181 8.681 3.153 1.00 0.00 H new ATOM 0 HG LEU A 90 17.340 8.124 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.764 5.765 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.309 6.240 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.759 5.245 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.700 6.839 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 90 19.832 6.401 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 90 19.651 8.103 5.561 1.00 0.00 H new ATOM 1442 N SER A 91 15.251 8.872 2.231 1.00 0.00 N ATOM 1443 CA SER A 91 14.178 9.773 2.657 1.00 0.00 C ATOM 1444 C SER A 91 12.863 8.991 2.778 1.00 0.00 C ATOM 1445 O SER A 91 12.224 8.679 1.768 1.00 0.00 O ATOM 1446 CB SER A 91 14.021 10.960 1.662 1.00 0.00 C ATOM 1447 OG SER A 91 13.035 11.885 2.098 1.00 0.00 O ATOM 0 H SER A 91 14.916 7.993 1.836 1.00 0.00 H new ATOM 0 HA SER A 91 14.436 10.188 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.977 11.472 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.750 10.577 0.678 1.00 0.00 H new ATOM 0 HG SER A 91 12.964 12.617 1.451 1.00 0.00 H new ATOM 1453 N GLN A 92 12.491 8.626 4.015 1.00 0.00 N ATOM 1454 CA GLN A 92 11.165 8.075 4.298 1.00 0.00 C ATOM 1455 C GLN A 92 10.144 9.222 4.233 1.00 0.00 C ATOM 1456 O GLN A 92 10.286 10.235 4.931 1.00 0.00 O ATOM 1457 CB GLN A 92 11.134 7.379 5.681 1.00 0.00 C ATOM 1458 CG GLN A 92 12.087 6.168 5.808 1.00 0.00 C ATOM 1459 CD GLN A 92 12.025 5.471 7.169 1.00 0.00 C ATOM 1460 OE1 GLN A 92 10.983 5.445 7.831 1.00 0.00 O ATOM 1461 NE2 GLN A 92 13.143 4.910 7.603 1.00 0.00 N ATOM 0 H GLN A 92 13.094 8.704 4.834 1.00 0.00 H new ATOM 0 HA GLN A 92 10.915 7.316 3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.391 8.110 6.448 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.116 7.048 5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.846 5.445 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.109 6.502 5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.988 4.948 7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.160 4.439 8.508 1.00 0.00 H new ATOM 1470 N ILE A 93 9.165 9.074 3.343 1.00 0.00 N ATOM 1471 CA ILE A 93 8.088 10.055 3.162 1.00 0.00 C ATOM 1472 C ILE A 93 7.259 10.238 4.459 1.00 0.00 C ATOM 1473 O ILE A 93 6.722 9.277 5.009 1.00 0.00 O ATOM 1474 CB ILE A 93 7.155 9.687 1.921 1.00 0.00 C ATOM 1475 CG1 ILE A 93 7.028 8.136 1.669 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.657 10.393 0.628 1.00 0.00 C ATOM 1477 CD1 ILE A 93 6.449 7.287 2.787 1.00 0.00 C ATOM 0 H ILE A 93 9.093 8.268 2.722 1.00 0.00 H new ATOM 0 HA ILE A 93 8.561 11.011 2.939 1.00 0.00 H new ATOM 0 HB ILE A 93 6.159 10.048 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 93 6.412 7.989 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.021 7.751 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.007 10.129 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.640 11.473 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.676 10.072 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.422 6.243 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.072 7.383 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.438 7.625 3.014 1.00 0.00 H new ATOM 1489 N VAL A 94 7.223 11.467 4.987 1.00 0.00 N ATOM 1490 CA VAL A 94 6.322 11.831 6.091 1.00 0.00 C ATOM 1491 C VAL A 94 5.223 12.735 5.521 1.00 0.00 C ATOM 1492 O VAL A 94 5.506 13.810 4.999 1.00 0.00 O ATOM 1493 CB VAL A 94 7.106 12.516 7.281 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.962 13.725 6.814 1.00 0.00 C ATOM 1495 CG2 VAL A 94 6.152 12.908 8.439 1.00 0.00 C ATOM 0 H VAL A 94 7.813 12.234 4.665 1.00 0.00 H new ATOM 0 HA VAL A 94 5.870 10.936 6.518 1.00 0.00 H new ATOM 0 HB VAL A 94 7.804 11.771 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.479 14.158 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.695 13.390 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.314 14.477 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.725 13.376 9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.402 13.609 8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.657 12.015 8.821 1.00 0.00 H new ATOM 1505 N TRP A 95 3.976 12.253 5.554 1.00 0.00 N ATOM 1506 CA TRP A 95 2.811 12.961 5.007 1.00 0.00 C ATOM 1507 C TRP A 95 1.617 12.832 5.978 1.00 0.00 C ATOM 1508 O TRP A 95 1.577 11.880 6.768 1.00 0.00 O ATOM 1509 CB TRP A 95 2.470 12.436 3.578 1.00 0.00 C ATOM 1510 CG TRP A 95 2.523 10.933 3.381 1.00 0.00 C ATOM 1511 CD1 TRP A 95 2.095 9.948 4.230 1.00 0.00 C ATOM 1512 CD2 TRP A 95 3.009 10.254 2.220 1.00 0.00 C ATOM 1513 NE1 TRP A 95 2.317 8.719 3.675 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.863 8.881 2.444 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.563 10.682 1.017 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.244 7.937 1.511 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.937 9.742 0.089 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.777 8.379 0.340 1.00 0.00 C ATOM 0 H TRP A 95 3.743 11.349 5.966 1.00 0.00 H new ATOM 0 HA TRP A 95 3.044 14.021 4.907 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.469 12.780 3.318 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.159 12.898 2.871 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.647 10.118 5.198 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.106 7.824 4.116 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.696 11.735 0.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.123 6.881 1.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.362 10.063 -0.851 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.082 7.662 -0.408 1.00 0.00 H new ATOM 1529 N PRO A 96 0.631 13.789 5.950 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.485 13.819 6.929 1.00 0.00 C ATOM 1531 C PRO A 96 -1.378 12.553 6.917 1.00 0.00 C ATOM 1532 O PRO A 96 -1.467 11.831 5.910 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.295 15.087 6.521 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.925 15.324 5.091 1.00 0.00 C ATOM 1535 CD PRO A 96 0.524 14.921 4.986 1.00 0.00 C ATOM 0 HA PRO A 96 -0.106 13.845 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.367 14.926 6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.035 15.942 7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.548 14.733 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.064 16.370 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.785 14.614 3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.191 15.741 5.252 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.000 12.302 8.076 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.069 11.300 8.241 1.00 0.00 C ATOM 1545 C GLN A 97 -4.406 11.942 7.828 1.00 0.00 C ATOM 1546 O GLN A 97 -4.530 13.171 7.862 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.129 10.816 9.715 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.134 9.677 9.988 1.00 0.00 C ATOM 1549 CD GLN A 97 -4.144 9.232 11.444 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.396 8.336 11.831 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -4.976 9.860 12.263 1.00 0.00 N ATOM 0 H GLN A 97 -1.774 12.795 8.940 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.868 10.433 7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.135 10.482 10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.384 11.665 10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.134 10.007 9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.890 8.824 9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.582 10.599 11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.010 9.604 13.250 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.388 11.120 7.414 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.736 11.603 7.033 1.00 0.00 C ATOM 1562 C LEU A 98 -7.411 12.394 8.192 1.00 0.00 C ATOM 1563 O LEU A 98 -7.312 11.998 9.353 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.627 10.435 6.471 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.424 9.012 7.079 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -7.908 8.904 8.536 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.084 7.934 6.200 1.00 0.00 C ATOM 0 H LEU A 98 -5.275 10.110 7.333 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.621 12.315 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.672 10.713 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.455 10.369 5.397 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.348 8.838 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.740 7.891 8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.356 9.610 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.972 9.135 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.927 6.953 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.153 8.131 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.640 7.954 5.205 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.072 13.554 7.874 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.544 14.543 8.887 1.00 0.00 C ATOM 1581 C PRO A 99 -9.718 14.033 9.754 1.00 0.00 C ATOM 1582 O PRO A 99 -9.944 14.533 10.860 1.00 0.00 O ATOM 1583 CB PRO A 99 -8.951 15.756 8.016 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.351 15.156 6.701 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.413 13.991 6.495 1.00 0.00 C ATOM 0 HA PRO A 99 -7.777 14.770 9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.775 16.310 8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.123 16.455 7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.390 14.827 6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.260 15.882 5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.890 13.190 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.524 14.288 5.939 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.459 13.049 9.228 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.530 12.362 9.964 1.00 0.00 C ATOM 1595 C VAL A 100 -10.895 11.255 10.831 1.00 0.00 C ATOM 1596 O VAL A 100 -10.833 11.414 12.067 1.00 0.00 O ATOM 1597 CB VAL A 100 -12.622 11.786 8.976 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -13.697 10.939 9.715 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.284 12.940 8.181 1.00 0.00 C ATOM 1600 OXT VAL A 100 -10.402 10.261 10.267 1.00 0.00 O ATOM 0 H VAL A 100 -10.332 12.705 8.276 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.047 13.069 10.613 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.115 11.117 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.425 10.565 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.217 10.098 10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.204 11.559 10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.034 12.532 7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.760 13.633 8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.524 13.468 7.605 1.00 0.00 H new TER 1610 VAL A 100