USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 764 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot -138:sc= 0.0284 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -3.73! K(o=-3.7!,f=-1.5) USER MOD Set 3.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 62 GLN : amide:sc= -0.171 K(o=-0.17,f=-2!) USER MOD Set 4.1: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 73 SER OG : rot -140:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.000498 USER MOD Single : A 19 GLN : amide:sc= -0.0563 K(o=-0.056,f=-1.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -106:sc= -0.705 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ -139:sc= 0.0866 (180deg=-0.646) USER MOD Single : A 35 ASN : amide:sc= -0.773 X(o=-0.77,f=-0.99) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.948 K(o=-0.95,f=-0.18) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.34) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.1!) USER MOD Single : A 46 MET CE :methyl -136:sc= -1.33 (180deg=-4.06!) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.201) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -170:sc= 0.274 USER MOD Single : A 65 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.15) USER MOD Single : A 66 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.17) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -3.29! C(o=-3.3!,f=-4.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 81 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.67) USER MOD Single : A 83 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.3) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.6) USER MOD Single : A 92 LYS NZ :NH3+ -114:sc= -1.72! (180deg=-5.07!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 12:sc= 0.105 USER MOD Single : A 98 SER OG : rot 180:sc= -0.06 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.106 -32.248 17.732 1.00 0.00 N ATOM 2 CA GLY A 1 23.267 -31.945 16.587 1.00 0.00 C ATOM 3 C GLY A 1 24.074 -31.632 15.343 1.00 0.00 C ATOM 4 O GLY A 1 24.527 -32.539 14.645 1.00 0.00 O ATOM 0 H1 GLY A 1 23.507 -32.455 18.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.699 -33.075 17.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.714 -31.431 17.942 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.611 -32.792 16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.627 -31.095 16.824 1.00 0.00 H new ATOM 8 N SER A 2 24.254 -30.345 15.064 1.00 0.00 N ATOM 9 CA SER A 2 25.007 -29.915 13.892 1.00 0.00 C ATOM 10 C SER A 2 25.754 -28.614 14.173 1.00 0.00 C ATOM 11 O SER A 2 25.266 -27.750 14.902 1.00 0.00 O ATOM 12 CB SER A 2 24.070 -29.730 12.696 1.00 0.00 C ATOM 13 OG SER A 2 24.758 -29.933 11.474 1.00 0.00 O ATOM 0 H SER A 2 23.889 -29.582 15.634 1.00 0.00 H new ATOM 0 HA SER A 2 25.737 -30.689 13.656 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.238 -30.431 12.770 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.644 -28.727 12.715 1.00 0.00 H new ATOM 0 HG SER A 2 24.138 -29.811 10.725 1.00 0.00 H new ATOM 19 N SER A 3 26.941 -28.483 13.590 1.00 0.00 N ATOM 20 CA SER A 3 27.758 -27.290 13.780 1.00 0.00 C ATOM 21 C SER A 3 26.886 -26.041 13.859 1.00 0.00 C ATOM 22 O SER A 3 27.005 -25.244 14.789 1.00 0.00 O ATOM 23 CB SER A 3 28.767 -27.150 12.639 1.00 0.00 C ATOM 24 OG SER A 3 29.397 -25.881 12.668 1.00 0.00 O ATOM 0 H SER A 3 27.358 -29.188 12.982 1.00 0.00 H new ATOM 0 HA SER A 3 28.297 -27.395 14.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.519 -27.935 12.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.261 -27.287 11.683 1.00 0.00 H new ATOM 0 HG SER A 3 30.038 -25.817 11.930 1.00 0.00 H new ATOM 30 N GLY A 4 26.007 -25.877 12.874 1.00 0.00 N ATOM 31 CA GLY A 4 25.128 -24.723 12.849 1.00 0.00 C ATOM 32 C GLY A 4 24.634 -24.400 11.453 1.00 0.00 C ATOM 33 O GLY A 4 25.054 -25.025 10.479 1.00 0.00 O ATOM 0 H GLY A 4 25.889 -26.523 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.273 -24.907 13.500 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.656 -23.859 13.253 1.00 0.00 H new ATOM 37 N SER A 5 23.739 -23.422 11.355 1.00 0.00 N ATOM 38 CA SER A 5 23.184 -23.021 10.067 1.00 0.00 C ATOM 39 C SER A 5 23.781 -21.694 9.608 1.00 0.00 C ATOM 40 O SER A 5 23.981 -20.781 10.408 1.00 0.00 O ATOM 41 CB SER A 5 21.661 -22.904 10.159 1.00 0.00 C ATOM 42 OG SER A 5 21.088 -22.695 8.881 1.00 0.00 O ATOM 0 H SER A 5 23.383 -22.893 12.151 1.00 0.00 H new ATOM 0 HA SER A 5 23.439 -23.787 9.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.249 -23.811 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.396 -22.078 10.819 1.00 0.00 H new ATOM 0 HG SER A 5 20.114 -22.625 8.967 1.00 0.00 H new ATOM 48 N SER A 6 24.063 -21.596 8.313 1.00 0.00 N ATOM 49 CA SER A 6 24.640 -20.384 7.746 1.00 0.00 C ATOM 50 C SER A 6 24.466 -20.356 6.230 1.00 0.00 C ATOM 51 O SER A 6 24.190 -21.380 5.607 1.00 0.00 O ATOM 52 CB SER A 6 26.125 -20.286 8.102 1.00 0.00 C ATOM 53 OG SER A 6 26.897 -21.182 7.322 1.00 0.00 O ATOM 0 H SER A 6 23.901 -22.342 7.637 1.00 0.00 H new ATOM 0 HA SER A 6 24.114 -19.529 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.474 -19.266 7.942 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.264 -20.508 9.160 1.00 0.00 H new ATOM 0 HG SER A 6 27.842 -21.099 7.567 1.00 0.00 H new ATOM 59 N GLY A 7 24.631 -19.174 5.643 1.00 0.00 N ATOM 60 CA GLY A 7 24.488 -19.034 4.206 1.00 0.00 C ATOM 61 C GLY A 7 25.786 -19.291 3.466 1.00 0.00 C ATOM 62 O GLY A 7 26.762 -18.561 3.638 1.00 0.00 O ATOM 0 H GLY A 7 24.861 -18.312 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.727 -19.729 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.135 -18.029 3.975 1.00 0.00 H new ATOM 66 N LYS A 8 25.799 -20.333 2.642 1.00 0.00 N ATOM 67 CA LYS A 8 26.987 -20.686 1.874 1.00 0.00 C ATOM 68 C LYS A 8 26.660 -20.799 0.388 1.00 0.00 C ATOM 69 O LYS A 8 27.209 -20.068 -0.436 1.00 0.00 O ATOM 70 CB LYS A 8 27.574 -22.006 2.380 1.00 0.00 C ATOM 71 CG LYS A 8 28.382 -21.862 3.658 1.00 0.00 C ATOM 72 CD LYS A 8 29.721 -21.194 3.398 1.00 0.00 C ATOM 73 CE LYS A 8 30.796 -22.214 3.054 1.00 0.00 C ATOM 74 NZ LYS A 8 32.066 -21.561 2.632 1.00 0.00 N ATOM 0 H LYS A 8 25.000 -20.948 2.489 1.00 0.00 H new ATOM 0 HA LYS A 8 27.724 -19.894 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.762 -22.713 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 8 28.210 -22.432 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 8 27.817 -21.276 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 8 28.544 -22.845 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 8 29.620 -20.481 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 8 30.024 -20.628 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 8 30.984 -22.849 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 8 30.438 -22.863 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 32.773 -22.290 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 31.892 -20.975 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 32.421 -20.962 3.404 1.00 0.00 H new ATOM 88 N SER A 9 25.762 -21.720 0.053 1.00 0.00 N ATOM 89 CA SER A 9 25.363 -21.930 -1.334 1.00 0.00 C ATOM 90 C SER A 9 24.830 -20.639 -1.947 1.00 0.00 C ATOM 91 O SER A 9 24.218 -19.820 -1.261 1.00 0.00 O ATOM 92 CB SER A 9 24.300 -23.027 -1.421 1.00 0.00 C ATOM 93 OG SER A 9 23.230 -22.772 -0.527 1.00 0.00 O ATOM 0 H SER A 9 25.297 -22.333 0.723 1.00 0.00 H new ATOM 0 HA SER A 9 26.243 -22.242 -1.896 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.919 -23.089 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.749 -23.993 -1.189 1.00 0.00 H new ATOM 0 HG SER A 9 22.563 -23.486 -0.603 1.00 0.00 H new ATOM 99 N ILE A 10 25.066 -20.466 -3.243 1.00 0.00 N ATOM 100 CA ILE A 10 24.609 -19.276 -3.950 1.00 0.00 C ATOM 101 C ILE A 10 23.751 -19.647 -5.155 1.00 0.00 C ATOM 102 O ILE A 10 24.269 -19.927 -6.236 1.00 0.00 O ATOM 103 CB ILE A 10 25.794 -18.413 -4.424 1.00 0.00 C ATOM 104 CG1 ILE A 10 26.650 -17.983 -3.231 1.00 0.00 C ATOM 105 CG2 ILE A 10 25.291 -17.197 -5.188 1.00 0.00 C ATOM 106 CD1 ILE A 10 28.078 -17.650 -3.601 1.00 0.00 C ATOM 0 H ILE A 10 25.571 -21.135 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 10 24.010 -18.701 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 10 26.413 -19.009 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.193 -17.112 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 10 26.652 -18.782 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.140 -16.597 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.720 -17.524 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.653 -16.598 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 10 28.626 -17.353 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 10 28.553 -18.526 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 10 28.086 -16.831 -4.320 1.00 0.00 H new ATOM 118 N ARG A 11 22.437 -19.647 -4.961 1.00 0.00 N ATOM 119 CA ARG A 11 21.506 -19.983 -6.031 1.00 0.00 C ATOM 120 C ARG A 11 20.410 -18.928 -6.151 1.00 0.00 C ATOM 121 O ARG A 11 20.047 -18.281 -5.168 1.00 0.00 O ATOM 122 CB ARG A 11 20.881 -21.357 -5.780 1.00 0.00 C ATOM 123 CG ARG A 11 21.736 -22.514 -6.272 1.00 0.00 C ATOM 124 CD ARG A 11 21.607 -22.701 -7.776 1.00 0.00 C ATOM 125 NE ARG A 11 22.596 -21.917 -8.511 1.00 0.00 N ATOM 126 CZ ARG A 11 22.834 -22.066 -9.810 1.00 0.00 C ATOM 127 NH1 ARG A 11 22.156 -22.963 -10.512 1.00 0.00 N ATOM 128 NH2 ARG A 11 23.750 -21.315 -10.408 1.00 0.00 N ATOM 0 H ARG A 11 21.992 -19.418 -4.072 1.00 0.00 H new ATOM 0 HA ARG A 11 22.063 -20.010 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 11 20.703 -21.476 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.909 -21.400 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.779 -22.332 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 11 21.438 -23.431 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 11 21.725 -23.756 -8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 11 20.605 -22.410 -8.093 1.00 0.00 H new ATOM 0 HE ARG A 11 23.133 -21.217 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.450 -23.540 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 11 22.340 -23.076 -11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 11 24.272 -20.623 -9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.932 -21.430 -11.405 1.00 0.00 H new ATOM 142 N LEU A 12 19.887 -18.760 -7.360 1.00 0.00 N ATOM 143 CA LEU A 12 18.833 -17.783 -7.609 1.00 0.00 C ATOM 144 C LEU A 12 17.840 -17.747 -6.452 1.00 0.00 C ATOM 145 O LEU A 12 17.181 -18.744 -6.155 1.00 0.00 O ATOM 146 CB LEU A 12 18.103 -18.112 -8.912 1.00 0.00 C ATOM 147 CG LEU A 12 18.839 -17.751 -10.203 1.00 0.00 C ATOM 148 CD1 LEU A 12 18.304 -18.568 -11.369 1.00 0.00 C ATOM 149 CD2 LEU A 12 18.713 -16.262 -10.491 1.00 0.00 C ATOM 0 H LEU A 12 20.176 -19.288 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 12 19.296 -16.800 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.890 -19.181 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 12 17.143 -17.595 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 12 19.895 -17.988 -10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.840 -18.297 -12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.447 -19.629 -11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 12 17.241 -18.364 -11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.243 -16.024 -11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.660 -16.000 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 12 19.145 -15.694 -9.667 1.00 0.00 H new ATOM 161 N ALA A 13 17.737 -16.592 -5.803 1.00 0.00 N ATOM 162 CA ALA A 13 16.821 -16.425 -4.681 1.00 0.00 C ATOM 163 C ALA A 13 16.585 -14.949 -4.380 1.00 0.00 C ATOM 164 O ALA A 13 17.298 -14.080 -4.882 1.00 0.00 O ATOM 165 CB ALA A 13 17.360 -17.138 -3.450 1.00 0.00 C ATOM 0 H ALA A 13 18.277 -15.758 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 13 15.864 -16.870 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 13 16.666 -17.005 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.470 -18.201 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 13 18.330 -16.719 -3.183 1.00 0.00 H new ATOM 171 N LYS A 14 15.579 -14.671 -3.558 1.00 0.00 N ATOM 172 CA LYS A 14 15.248 -13.300 -3.188 1.00 0.00 C ATOM 173 C LYS A 14 16.301 -12.721 -2.249 1.00 0.00 C ATOM 174 O LYS A 14 16.109 -12.685 -1.034 1.00 0.00 O ATOM 175 CB LYS A 14 13.871 -13.247 -2.523 1.00 0.00 C ATOM 176 CG LYS A 14 13.198 -11.890 -2.626 1.00 0.00 C ATOM 177 CD LYS A 14 12.613 -11.661 -4.010 1.00 0.00 C ATOM 178 CE LYS A 14 11.178 -12.158 -4.098 1.00 0.00 C ATOM 179 NZ LYS A 14 10.423 -11.482 -5.189 1.00 0.00 N ATOM 0 H LYS A 14 14.978 -15.378 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 14 15.228 -12.700 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.227 -13.998 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.974 -13.513 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.407 -11.817 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.921 -11.106 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.646 -10.598 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.223 -12.174 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.176 -13.235 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.675 -11.985 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.450 -11.848 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.403 -10.457 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.888 -11.668 -6.100 1.00 0.00 H new ATOM 193 N GLU A 15 17.413 -12.267 -2.821 1.00 0.00 N ATOM 194 CA GLU A 15 18.495 -11.688 -2.033 1.00 0.00 C ATOM 195 C GLU A 15 18.370 -10.169 -1.970 1.00 0.00 C ATOM 196 O GLU A 15 18.380 -9.578 -0.890 1.00 0.00 O ATOM 197 CB GLU A 15 19.851 -12.076 -2.626 1.00 0.00 C ATOM 198 CG GLU A 15 20.148 -13.564 -2.545 1.00 0.00 C ATOM 199 CD GLU A 15 21.618 -13.876 -2.748 1.00 0.00 C ATOM 200 OE1 GLU A 15 22.429 -13.512 -1.871 1.00 0.00 O ATOM 201 OE2 GLU A 15 21.957 -14.486 -3.784 1.00 0.00 O ATOM 0 H GLU A 15 17.587 -12.289 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 15 18.424 -12.083 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 19.884 -11.764 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 15 20.636 -11.529 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.831 -13.942 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.561 -14.090 -3.298 1.00 0.00 H new ATOM 208 N LYS A 16 18.253 -9.542 -3.136 1.00 0.00 N ATOM 209 CA LYS A 16 18.126 -8.092 -3.216 1.00 0.00 C ATOM 210 C LYS A 16 17.211 -7.564 -2.115 1.00 0.00 C ATOM 211 O LYS A 16 17.385 -6.445 -1.635 1.00 0.00 O ATOM 212 CB LYS A 16 17.581 -7.682 -4.586 1.00 0.00 C ATOM 213 CG LYS A 16 18.494 -8.058 -5.740 1.00 0.00 C ATOM 214 CD LYS A 16 17.956 -7.547 -7.066 1.00 0.00 C ATOM 215 CE LYS A 16 19.059 -7.429 -8.107 1.00 0.00 C ATOM 216 NZ LYS A 16 18.570 -6.795 -9.363 1.00 0.00 N ATOM 0 H LYS A 16 18.244 -10.016 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 16 19.117 -7.658 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.608 -8.150 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.421 -6.604 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.489 -7.647 -5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.600 -9.142 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.181 -8.222 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.487 -6.574 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.882 -6.841 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.455 -8.420 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.351 -6.733 -10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.802 -7.369 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.215 -5.840 -9.154 1.00 0.00 H new ATOM 230 N GLU A 17 16.238 -8.379 -1.719 1.00 0.00 N ATOM 231 CA GLU A 17 15.297 -7.993 -0.674 1.00 0.00 C ATOM 232 C GLU A 17 15.997 -7.193 0.420 1.00 0.00 C ATOM 233 O GLU A 17 15.391 -6.335 1.061 1.00 0.00 O ATOM 234 CB GLU A 17 14.635 -9.233 -0.070 1.00 0.00 C ATOM 235 CG GLU A 17 13.512 -8.911 0.901 1.00 0.00 C ATOM 236 CD GLU A 17 14.003 -8.736 2.325 1.00 0.00 C ATOM 237 OE1 GLU A 17 14.914 -9.487 2.734 1.00 0.00 O ATOM 238 OE2 GLU A 17 13.477 -7.850 3.030 1.00 0.00 O ATOM 0 H GLU A 17 16.081 -9.310 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 17 14.530 -7.364 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.241 -9.853 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.392 -9.824 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.009 -7.999 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.771 -9.710 0.872 1.00 0.00 H new ATOM 245 N SER A 18 17.278 -7.480 0.628 1.00 0.00 N ATOM 246 CA SER A 18 18.061 -6.791 1.647 1.00 0.00 C ATOM 247 C SER A 18 17.799 -5.289 1.610 1.00 0.00 C ATOM 248 O SER A 18 17.606 -4.656 2.648 1.00 0.00 O ATOM 249 CB SER A 18 19.553 -7.065 1.446 1.00 0.00 C ATOM 250 OG SER A 18 19.968 -6.697 0.142 1.00 0.00 O ATOM 0 H SER A 18 17.796 -8.185 0.104 1.00 0.00 H new ATOM 0 HA SER A 18 17.757 -7.171 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.131 -6.510 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.757 -8.123 1.611 1.00 0.00 H new ATOM 0 HG SER A 18 20.925 -6.880 0.039 1.00 0.00 H new ATOM 256 N GLN A 19 17.794 -4.725 0.406 1.00 0.00 N ATOM 257 CA GLN A 19 17.556 -3.297 0.233 1.00 0.00 C ATOM 258 C GLN A 19 16.064 -2.984 0.280 1.00 0.00 C ATOM 259 O GLN A 19 15.650 -1.972 0.845 1.00 0.00 O ATOM 260 CB GLN A 19 18.148 -2.817 -1.093 1.00 0.00 C ATOM 261 CG GLN A 19 17.380 -3.299 -2.313 1.00 0.00 C ATOM 262 CD GLN A 19 18.239 -3.353 -3.561 1.00 0.00 C ATOM 263 OE1 GLN A 19 19.398 -2.936 -3.549 1.00 0.00 O ATOM 264 NE2 GLN A 19 17.675 -3.868 -4.647 1.00 0.00 N ATOM 0 H GLN A 19 17.952 -5.235 -0.463 1.00 0.00 H new ATOM 0 HA GLN A 19 18.045 -2.771 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.173 -1.727 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 19 19.180 -3.159 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.974 -4.291 -2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.532 -2.637 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.712 -4.202 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 19 18.205 -3.930 -5.516 1.00 0.00 H new ATOM 273 N ALA A 20 15.262 -3.859 -0.317 1.00 0.00 N ATOM 274 CA ALA A 20 13.816 -3.676 -0.342 1.00 0.00 C ATOM 275 C ALA A 20 13.301 -3.184 1.006 1.00 0.00 C ATOM 276 O ALA A 20 12.653 -2.141 1.090 1.00 0.00 O ATOM 277 CB ALA A 20 13.126 -4.976 -0.729 1.00 0.00 C ATOM 0 H ALA A 20 15.589 -4.702 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 20 13.584 -2.917 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.047 -4.825 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.462 -5.286 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.374 -5.750 -0.003 1.00 0.00 H new ATOM 283 N ASP A 21 13.594 -3.940 2.058 1.00 0.00 N ATOM 284 CA ASP A 21 13.161 -3.580 3.403 1.00 0.00 C ATOM 285 C ASP A 21 13.948 -2.382 3.924 1.00 0.00 C ATOM 286 O ASP A 21 13.402 -1.520 4.614 1.00 0.00 O ATOM 287 CB ASP A 21 13.331 -4.768 4.352 1.00 0.00 C ATOM 288 CG ASP A 21 12.157 -5.726 4.294 1.00 0.00 C ATOM 289 OD1 ASP A 21 11.747 -6.095 3.174 1.00 0.00 O ATOM 290 OD2 ASP A 21 11.648 -6.107 5.370 1.00 0.00 O ATOM 0 H ASP A 21 14.130 -4.806 2.005 1.00 0.00 H new ATOM 0 HA ASP A 21 12.106 -3.309 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.246 -5.303 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.447 -4.401 5.372 1.00 0.00 H new ATOM 295 N TYR A 22 15.233 -2.334 3.592 1.00 0.00 N ATOM 296 CA TYR A 22 16.096 -1.243 4.029 1.00 0.00 C ATOM 297 C TYR A 22 15.477 0.110 3.691 1.00 0.00 C ATOM 298 O TYR A 22 15.567 1.058 4.472 1.00 0.00 O ATOM 299 CB TYR A 22 17.474 -1.362 3.377 1.00 0.00 C ATOM 300 CG TYR A 22 18.415 -0.235 3.739 1.00 0.00 C ATOM 301 CD1 TYR A 22 18.426 0.948 3.010 1.00 0.00 C ATOM 302 CD2 TYR A 22 19.293 -0.353 4.808 1.00 0.00 C ATOM 303 CE1 TYR A 22 19.284 1.980 3.336 1.00 0.00 C ATOM 304 CE2 TYR A 22 20.154 0.675 5.143 1.00 0.00 C ATOM 305 CZ TYR A 22 20.145 1.839 4.404 1.00 0.00 C ATOM 306 OH TYR A 22 21.002 2.865 4.733 1.00 0.00 O ATOM 0 H TYR A 22 15.700 -3.038 3.021 1.00 0.00 H new ATOM 0 HA TYR A 22 16.206 -1.312 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 22 17.925 -2.310 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 22 17.353 -1.389 2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.752 1.062 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 22 19.303 -1.264 5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 22 19.281 2.892 2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 22 20.830 0.567 5.979 1.00 0.00 H new ATOM 0 HH TYR A 22 21.540 2.605 5.510 1.00 0.00 H new ATOM 316 N ILE A 23 14.847 0.191 2.524 1.00 0.00 N ATOM 317 CA ILE A 23 14.211 1.426 2.083 1.00 0.00 C ATOM 318 C ILE A 23 12.776 1.517 2.591 1.00 0.00 C ATOM 319 O ILE A 23 12.429 2.429 3.341 1.00 0.00 O ATOM 320 CB ILE A 23 14.208 1.541 0.547 1.00 0.00 C ATOM 321 CG1 ILE A 23 15.640 1.498 0.008 1.00 0.00 C ATOM 322 CG2 ILE A 23 13.511 2.821 0.113 1.00 0.00 C ATOM 323 CD1 ILE A 23 15.737 0.969 -1.405 1.00 0.00 C ATOM 0 H ILE A 23 14.763 -0.584 1.867 1.00 0.00 H new ATOM 0 HA ILE A 23 14.794 2.247 2.499 1.00 0.00 H new ATOM 0 HB ILE A 23 13.659 0.694 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.063 2.502 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.248 0.874 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.517 2.888 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.481 2.814 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.034 3.680 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.780 0.967 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.345 -0.047 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.156 1.606 -2.073 1.00 0.00 H new ATOM 335 N SER A 24 11.947 0.564 2.179 1.00 0.00 N ATOM 336 CA SER A 24 10.548 0.537 2.590 1.00 0.00 C ATOM 337 C SER A 24 10.421 0.743 4.097 1.00 0.00 C ATOM 338 O SER A 24 9.603 1.538 4.561 1.00 0.00 O ATOM 339 CB SER A 24 9.901 -0.790 2.189 1.00 0.00 C ATOM 340 OG SER A 24 9.490 -0.768 0.834 1.00 0.00 O ATOM 0 H SER A 24 12.220 -0.200 1.561 1.00 0.00 H new ATOM 0 HA SER A 24 10.031 1.352 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.608 -1.605 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.042 -0.987 2.830 1.00 0.00 H new ATOM 0 HG SER A 24 8.514 -0.688 0.789 1.00 0.00 H new ATOM 346 N THR A 25 11.237 0.020 4.858 1.00 0.00 N ATOM 347 CA THR A 25 11.217 0.121 6.311 1.00 0.00 C ATOM 348 C THR A 25 10.910 1.546 6.759 1.00 0.00 C ATOM 349 O THR A 25 10.267 1.758 7.787 1.00 0.00 O ATOM 350 CB THR A 25 12.560 -0.319 6.924 1.00 0.00 C ATOM 351 OG1 THR A 25 12.530 -0.146 8.345 1.00 0.00 O ATOM 352 CG2 THR A 25 13.712 0.482 6.335 1.00 0.00 C ATOM 0 H THR A 25 11.920 -0.642 4.491 1.00 0.00 H new ATOM 0 HA THR A 25 10.430 -0.546 6.663 1.00 0.00 H new ATOM 0 HB THR A 25 12.713 -1.372 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.387 -0.429 8.727 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.650 0.154 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.750 0.325 5.257 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.562 1.541 6.543 1.00 0.00 H new ATOM 360 N TYR A 26 11.372 2.518 5.981 1.00 0.00 N ATOM 361 CA TYR A 26 11.148 3.923 6.299 1.00 0.00 C ATOM 362 C TYR A 26 10.643 4.685 5.077 1.00 0.00 C ATOM 363 O TYR A 26 11.413 5.015 4.176 1.00 0.00 O ATOM 364 CB TYR A 26 12.438 4.563 6.816 1.00 0.00 C ATOM 365 CG TYR A 26 13.467 4.809 5.735 1.00 0.00 C ATOM 366 CD1 TYR A 26 14.267 3.776 5.263 1.00 0.00 C ATOM 367 CD2 TYR A 26 13.638 6.074 5.187 1.00 0.00 C ATOM 368 CE1 TYR A 26 15.209 3.996 4.277 1.00 0.00 C ATOM 369 CE2 TYR A 26 14.576 6.303 4.199 1.00 0.00 C ATOM 370 CZ TYR A 26 15.359 5.261 3.748 1.00 0.00 C ATOM 371 OH TYR A 26 16.295 5.484 2.764 1.00 0.00 O ATOM 0 H TYR A 26 11.904 2.359 5.125 1.00 0.00 H new ATOM 0 HA TYR A 26 10.387 3.976 7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.196 5.510 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.873 3.918 7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.150 2.784 5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 26 13.027 6.892 5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.824 3.182 3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.695 7.292 3.782 1.00 0.00 H new ATOM 0 HH TYR A 26 16.273 6.427 2.499 1.00 0.00 H new ATOM 381 N VAL A 27 9.343 4.960 5.055 1.00 0.00 N ATOM 382 CA VAL A 27 8.734 5.684 3.946 1.00 0.00 C ATOM 383 C VAL A 27 7.472 6.414 4.393 1.00 0.00 C ATOM 384 O VAL A 27 6.861 6.057 5.400 1.00 0.00 O ATOM 385 CB VAL A 27 8.381 4.737 2.784 1.00 0.00 C ATOM 386 CG1 VAL A 27 7.334 3.723 3.220 1.00 0.00 C ATOM 387 CG2 VAL A 27 7.897 5.529 1.579 1.00 0.00 C ATOM 0 H VAL A 27 8.691 4.692 5.793 1.00 0.00 H new ATOM 0 HA VAL A 27 9.469 6.412 3.602 1.00 0.00 H new ATOM 0 HB VAL A 27 9.281 4.194 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.097 3.063 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.722 3.133 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.431 4.245 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.652 4.844 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.010 6.100 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.682 6.211 1.253 1.00 0.00 H new ATOM 397 N GLU A 28 7.088 7.438 3.637 1.00 0.00 N ATOM 398 CA GLU A 28 5.899 8.219 3.957 1.00 0.00 C ATOM 399 C GLU A 28 5.079 8.501 2.701 1.00 0.00 C ATOM 400 O GLU A 28 5.623 8.884 1.665 1.00 0.00 O ATOM 401 CB GLU A 28 6.292 9.536 4.629 1.00 0.00 C ATOM 402 CG GLU A 28 5.238 10.069 5.585 1.00 0.00 C ATOM 403 CD GLU A 28 5.381 9.504 6.985 1.00 0.00 C ATOM 404 OE1 GLU A 28 4.802 8.431 7.254 1.00 0.00 O ATOM 405 OE2 GLU A 28 6.072 10.136 7.811 1.00 0.00 O ATOM 0 H GLU A 28 7.583 7.746 2.800 1.00 0.00 H new ATOM 0 HA GLU A 28 5.288 7.636 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.225 9.392 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.484 10.284 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.307 11.156 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.248 9.828 5.199 1.00 0.00 H new ATOM 412 N TRP A 29 3.769 8.308 2.801 1.00 0.00 N ATOM 413 CA TRP A 29 2.874 8.540 1.673 1.00 0.00 C ATOM 414 C TRP A 29 1.784 9.541 2.041 1.00 0.00 C ATOM 415 O TRP A 29 1.108 9.388 3.057 1.00 0.00 O ATOM 416 CB TRP A 29 2.243 7.224 1.217 1.00 0.00 C ATOM 417 CG TRP A 29 3.180 6.356 0.433 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.282 5.703 0.906 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.098 6.049 -0.964 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.890 5.008 -0.112 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.183 5.203 -1.268 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.214 6.404 -1.985 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.405 4.711 -2.552 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.435 5.915 -3.258 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.523 5.075 -3.533 1.00 0.00 C ATOM 0 H TRP A 29 3.303 7.992 3.651 1.00 0.00 H new ATOM 0 HA TRP A 29 3.461 8.955 0.854 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.895 6.674 2.091 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.366 7.442 0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.625 5.729 1.930 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.732 4.439 -0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.372 7.050 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.244 4.065 -2.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.758 6.185 -4.055 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.668 4.708 -4.538 1.00 0.00 H new ATOM 436 N GLN A 30 1.619 10.563 1.207 1.00 0.00 N ATOM 437 CA GLN A 30 0.610 11.588 1.446 1.00 0.00 C ATOM 438 C GLN A 30 -0.265 11.789 0.214 1.00 0.00 C ATOM 439 O GLN A 30 0.175 11.568 -0.915 1.00 0.00 O ATOM 440 CB GLN A 30 1.277 12.909 1.833 1.00 0.00 C ATOM 441 CG GLN A 30 2.126 12.816 3.091 1.00 0.00 C ATOM 442 CD GLN A 30 2.440 14.175 3.685 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.538 14.918 4.074 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.723 14.508 3.758 1.00 0.00 N ATOM 0 H GLN A 30 2.171 10.703 0.361 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.023 11.254 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.903 13.246 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.507 13.666 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.604 12.211 3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.058 12.301 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.438 13.861 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.994 15.410 4.148 1.00 0.00 H new ATOM 453 N TYR A 31 -1.506 12.208 0.437 1.00 0.00 N ATOM 454 CA TYR A 31 -2.444 12.435 -0.656 1.00 0.00 C ATOM 455 C TYR A 31 -2.903 13.890 -0.685 1.00 0.00 C ATOM 456 O TYR A 31 -3.134 14.501 0.359 1.00 0.00 O ATOM 457 CB TYR A 31 -3.654 11.509 -0.518 1.00 0.00 C ATOM 458 CG TYR A 31 -4.553 11.857 0.647 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.235 11.456 1.939 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.721 12.585 0.456 1.00 0.00 C ATOM 461 CE1 TYR A 31 -5.053 11.771 3.006 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.545 12.905 1.517 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.207 12.496 2.791 1.00 0.00 C ATOM 464 OH TYR A 31 -7.025 12.811 3.851 1.00 0.00 O ATOM 0 H TYR A 31 -1.886 12.397 1.365 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.932 12.215 -1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.236 11.546 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.305 10.483 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.333 10.888 2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.989 12.906 -0.540 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.791 11.451 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.449 13.472 1.351 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.961 12.681 3.592 1.00 0.00 H new ATOM 474 N ILE A 32 -3.034 14.438 -1.888 1.00 0.00 N ATOM 475 CA ILE A 32 -3.467 15.820 -2.055 1.00 0.00 C ATOM 476 C ILE A 32 -4.969 15.898 -2.307 1.00 0.00 C ATOM 477 O ILE A 32 -5.448 15.540 -3.383 1.00 0.00 O ATOM 478 CB ILE A 32 -2.727 16.506 -3.218 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.310 16.895 -2.790 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.499 17.729 -3.690 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.277 15.828 -3.077 1.00 0.00 C ATOM 0 H ILE A 32 -2.847 13.946 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.228 16.340 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.656 15.804 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.024 17.813 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.309 17.112 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.963 18.203 -4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.489 17.425 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.599 18.436 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.703 16.173 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.539 14.915 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.250 15.627 -4.148 1.00 0.00 H new ATOM 493 N ASP A 33 -5.707 16.370 -1.308 1.00 0.00 N ATOM 494 CA ASP A 33 -7.155 16.499 -1.421 1.00 0.00 C ATOM 495 C ASP A 33 -7.527 17.674 -2.320 1.00 0.00 C ATOM 496 O ASP A 33 -6.683 18.505 -2.656 1.00 0.00 O ATOM 497 CB ASP A 33 -7.783 16.679 -0.038 1.00 0.00 C ATOM 498 CG ASP A 33 -9.273 16.403 -0.038 1.00 0.00 C ATOM 499 OD1 ASP A 33 -10.045 17.317 -0.396 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.668 15.274 0.320 1.00 0.00 O ATOM 0 H ASP A 33 -5.326 16.670 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.542 15.584 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.293 16.011 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.605 17.697 0.309 1.00 0.00 H new ATOM 505 N LYS A 34 -8.797 17.737 -2.707 1.00 0.00 N ATOM 506 CA LYS A 34 -9.283 18.810 -3.567 1.00 0.00 C ATOM 507 C LYS A 34 -8.483 20.090 -3.344 1.00 0.00 C ATOM 508 O LYS A 34 -7.701 20.501 -4.199 1.00 0.00 O ATOM 509 CB LYS A 34 -10.767 19.071 -3.303 1.00 0.00 C ATOM 510 CG LYS A 34 -11.647 17.852 -3.521 1.00 0.00 C ATOM 511 CD LYS A 34 -12.205 17.813 -4.934 1.00 0.00 C ATOM 512 CE LYS A 34 -11.303 17.020 -5.867 1.00 0.00 C ATOM 513 NZ LYS A 34 -11.264 15.575 -5.506 1.00 0.00 N ATOM 0 H LYS A 34 -9.508 17.057 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.155 18.498 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.889 19.418 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.107 19.876 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.070 16.947 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.468 17.862 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.200 17.367 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.316 18.830 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.656 17.129 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.294 17.430 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.290 15.221 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.590 15.453 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.885 15.040 -6.146 1.00 0.00 H new ATOM 527 N ASN A 35 -8.685 20.714 -2.188 1.00 0.00 N ATOM 528 CA ASN A 35 -7.982 21.947 -1.852 1.00 0.00 C ATOM 529 C ASN A 35 -7.215 21.797 -0.542 1.00 0.00 C ATOM 530 O ASN A 35 -6.840 22.787 0.087 1.00 0.00 O ATOM 531 CB ASN A 35 -8.971 23.110 -1.747 1.00 0.00 C ATOM 532 CG ASN A 35 -8.284 24.426 -1.434 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.233 24.739 -1.994 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.878 25.203 -0.536 1.00 0.00 N ATOM 0 H ASN A 35 -9.329 20.386 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.268 22.157 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.519 23.203 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.703 22.892 -0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.464 26.101 -0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.748 24.902 -0.098 1.00 0.00 H new ATOM 541 N ILE A 36 -6.985 20.552 -0.137 1.00 0.00 N ATOM 542 CA ILE A 36 -6.261 20.272 1.097 1.00 0.00 C ATOM 543 C ILE A 36 -5.178 19.222 0.873 1.00 0.00 C ATOM 544 O ILE A 36 -5.295 18.371 -0.009 1.00 0.00 O ATOM 545 CB ILE A 36 -7.210 19.786 2.208 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.419 20.718 2.321 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.473 19.703 3.536 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.554 20.350 1.392 1.00 0.00 C ATOM 0 H ILE A 36 -7.289 19.722 -0.645 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.797 21.207 1.410 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.566 18.789 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.783 20.705 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.102 21.739 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.157 19.358 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.642 19.003 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.091 20.688 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.376 21.053 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.207 20.391 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.898 19.341 1.620 1.00 0.00 H new ATOM 560 N THR A 37 -4.123 19.287 1.680 1.00 0.00 N ATOM 561 CA THR A 37 -3.019 18.342 1.571 1.00 0.00 C ATOM 562 C THR A 37 -2.821 17.575 2.874 1.00 0.00 C ATOM 563 O THR A 37 -2.186 18.069 3.804 1.00 0.00 O ATOM 564 CB THR A 37 -1.704 19.055 1.204 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.929 19.974 0.129 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.637 18.048 0.802 1.00 0.00 C ATOM 0 H THR A 37 -4.010 19.984 2.416 1.00 0.00 H new ATOM 0 HA THR A 37 -3.279 17.642 0.777 1.00 0.00 H new ATOM 0 HB THR A 37 -1.355 19.600 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.089 20.425 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.283 18.575 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.447 17.368 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.981 17.479 -0.062 1.00 0.00 H new ATOM 574 N GLN A 38 -3.369 16.365 2.931 1.00 0.00 N ATOM 575 CA GLN A 38 -3.252 15.531 4.121 1.00 0.00 C ATOM 576 C GLN A 38 -2.412 14.290 3.835 1.00 0.00 C ATOM 577 O GLN A 38 -2.017 14.045 2.695 1.00 0.00 O ATOM 578 CB GLN A 38 -4.638 15.119 4.620 1.00 0.00 C ATOM 579 CG GLN A 38 -5.464 16.281 5.149 1.00 0.00 C ATOM 580 CD GLN A 38 -4.751 17.055 6.239 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.445 16.514 7.303 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.480 18.329 5.981 1.00 0.00 N ATOM 0 H GLN A 38 -3.897 15.941 2.168 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.754 16.115 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.181 14.639 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.525 14.375 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.703 16.956 4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.410 15.903 5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.751 18.737 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.000 18.900 6.677 1.00 0.00 H new ATOM 591 N CYS A 39 -2.144 13.511 4.877 1.00 0.00 N ATOM 592 CA CYS A 39 -1.350 12.295 4.738 1.00 0.00 C ATOM 593 C CYS A 39 -2.169 11.065 5.114 1.00 0.00 C ATOM 594 O CYS A 39 -3.216 11.174 5.751 1.00 0.00 O ATOM 595 CB CYS A 39 -0.098 12.376 5.612 1.00 0.00 C ATOM 596 SG CYS A 39 -0.436 12.362 7.388 1.00 0.00 S ATOM 0 H CYS A 39 -2.465 13.699 5.827 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.050 12.204 3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.555 11.538 5.371 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.447 13.287 5.364 1.00 0.00 H new ATOM 0 HG CYS A 39 0.684 12.432 8.044 1.00 0.00 H new ATOM 602 N PHE A 40 -1.685 9.893 4.713 1.00 0.00 N ATOM 603 CA PHE A 40 -2.374 8.642 5.005 1.00 0.00 C ATOM 604 C PHE A 40 -2.145 8.221 6.454 1.00 0.00 C ATOM 605 O PHE A 40 -1.324 8.806 7.160 1.00 0.00 O ATOM 606 CB PHE A 40 -1.895 7.538 4.060 1.00 0.00 C ATOM 607 CG PHE A 40 -2.396 7.695 2.652 1.00 0.00 C ATOM 608 CD1 PHE A 40 -1.706 8.478 1.741 1.00 0.00 C ATOM 609 CD2 PHE A 40 -3.557 7.061 2.242 1.00 0.00 C ATOM 610 CE1 PHE A 40 -2.164 8.625 0.445 1.00 0.00 C ATOM 611 CE2 PHE A 40 -4.020 7.203 0.947 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.323 7.987 0.048 1.00 0.00 C ATOM 0 H PHE A 40 -0.819 9.784 4.185 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.442 8.801 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.805 7.527 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.220 6.573 4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.800 8.979 2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.107 6.449 2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.617 9.238 -0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.925 6.702 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.684 8.101 -0.964 1.00 0.00 H new ATOM 622 N ASP A 41 -2.877 7.202 6.890 1.00 0.00 N ATOM 623 CA ASP A 41 -2.755 6.701 8.254 1.00 0.00 C ATOM 624 C ASP A 41 -1.404 6.024 8.465 1.00 0.00 C ATOM 625 O ASP A 41 -0.595 5.926 7.542 1.00 0.00 O ATOM 626 CB ASP A 41 -3.885 5.717 8.563 1.00 0.00 C ATOM 627 CG ASP A 41 -5.170 6.418 8.959 1.00 0.00 C ATOM 628 OD1 ASP A 41 -5.567 7.369 8.254 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.777 6.016 9.973 1.00 0.00 O ATOM 0 H ASP A 41 -3.561 6.707 6.319 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.827 7.550 8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.069 5.093 7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.574 5.052 9.369 1.00 0.00 H new ATOM 634 N LYS A 42 -1.165 5.560 9.687 1.00 0.00 N ATOM 635 CA LYS A 42 0.088 4.892 10.021 1.00 0.00 C ATOM 636 C LYS A 42 0.134 3.490 9.422 1.00 0.00 C ATOM 637 O LYS A 42 1.208 2.961 9.141 1.00 0.00 O ATOM 638 CB LYS A 42 0.259 4.815 11.540 1.00 0.00 C ATOM 639 CG LYS A 42 -0.650 3.795 12.204 1.00 0.00 C ATOM 640 CD LYS A 42 -0.862 4.112 13.674 1.00 0.00 C ATOM 641 CE LYS A 42 0.187 3.441 14.547 1.00 0.00 C ATOM 642 NZ LYS A 42 1.451 4.226 14.597 1.00 0.00 N ATOM 0 H LYS A 42 -1.823 5.634 10.463 1.00 0.00 H new ATOM 0 HA LYS A 42 0.906 5.475 9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.296 4.568 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.063 5.798 11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.612 3.776 11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.216 2.800 12.104 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.825 5.191 13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.855 3.782 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.205 3.319 15.557 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.395 2.442 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.002 3.944 15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.007 4.043 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.228 5.240 14.656 1.00 0.00 H new ATOM 656 N MET A 43 -1.039 2.896 9.228 1.00 0.00 N ATOM 657 CA MET A 43 -1.132 1.556 8.660 1.00 0.00 C ATOM 658 C MET A 43 -1.326 1.619 7.148 1.00 0.00 C ATOM 659 O MET A 43 -0.884 0.733 6.417 1.00 0.00 O ATOM 660 CB MET A 43 -2.286 0.785 9.303 1.00 0.00 C ATOM 661 CG MET A 43 -2.086 0.517 10.786 1.00 0.00 C ATOM 662 SD MET A 43 -3.628 0.125 11.634 1.00 0.00 S ATOM 663 CE MET A 43 -4.177 1.761 12.112 1.00 0.00 C ATOM 0 H MET A 43 -1.938 3.321 9.456 1.00 0.00 H new ATOM 0 HA MET A 43 -0.197 1.035 8.867 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.209 1.347 9.165 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.411 -0.165 8.784 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.387 -0.310 10.911 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.632 1.392 11.252 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.123 1.685 12.648 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.429 2.221 12.758 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.313 2.374 11.221 1.00 0.00 H new ATOM 673 N THR A 44 -1.992 2.673 6.685 1.00 0.00 N ATOM 674 CA THR A 44 -2.247 2.851 5.261 1.00 0.00 C ATOM 675 C THR A 44 -0.989 3.305 4.530 1.00 0.00 C ATOM 676 O THR A 44 -0.746 2.912 3.390 1.00 0.00 O ATOM 677 CB THR A 44 -3.369 3.877 5.015 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.583 3.433 5.631 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.596 4.084 3.525 1.00 0.00 C ATOM 0 H THR A 44 -2.364 3.416 7.276 1.00 0.00 H new ATOM 0 HA THR A 44 -2.560 1.882 4.872 1.00 0.00 H new ATOM 0 HB THR A 44 -3.065 4.827 5.455 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.291 4.092 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.393 4.813 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.678 4.451 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.880 3.137 3.065 1.00 0.00 H new ATOM 687 N ASN A 45 -0.191 4.136 5.194 1.00 0.00 N ATOM 688 CA ASN A 45 1.043 4.644 4.607 1.00 0.00 C ATOM 689 C ASN A 45 1.805 3.530 3.894 1.00 0.00 C ATOM 690 O ASN A 45 2.342 3.731 2.805 1.00 0.00 O ATOM 691 CB ASN A 45 1.926 5.271 5.687 1.00 0.00 C ATOM 692 CG ASN A 45 2.874 4.267 6.314 1.00 0.00 C ATOM 693 OD1 ASN A 45 2.445 3.276 6.905 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.172 4.519 6.187 1.00 0.00 N ATOM 0 H ASN A 45 -0.378 4.471 6.139 1.00 0.00 H new ATOM 0 HA ASN A 45 0.780 5.407 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.502 6.088 5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.294 5.704 6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.857 3.879 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.483 5.353 5.689 1.00 0.00 H new ATOM 701 N MET A 46 1.847 2.357 4.517 1.00 0.00 N ATOM 702 CA MET A 46 2.541 1.211 3.942 1.00 0.00 C ATOM 703 C MET A 46 1.726 0.595 2.809 1.00 0.00 C ATOM 704 O MET A 46 2.280 0.137 1.809 1.00 0.00 O ATOM 705 CB MET A 46 2.815 0.160 5.019 1.00 0.00 C ATOM 706 CG MET A 46 1.688 -0.844 5.189 1.00 0.00 C ATOM 707 SD MET A 46 1.878 -1.858 6.668 1.00 0.00 S ATOM 708 CE MET A 46 1.355 -0.708 7.937 1.00 0.00 C ATOM 0 H MET A 46 1.409 2.175 5.420 1.00 0.00 H new ATOM 0 HA MET A 46 3.490 1.559 3.535 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.732 -0.374 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.989 0.663 5.970 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.738 -0.313 5.237 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.648 -1.491 4.313 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.042 -0.761 8.781 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.354 0.304 7.533 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.350 -0.967 8.271 1.00 0.00 H new ATOM 718 N LYS A 47 0.408 0.585 2.972 1.00 0.00 N ATOM 719 CA LYS A 47 -0.484 0.025 1.964 1.00 0.00 C ATOM 720 C LYS A 47 -0.178 0.602 0.585 1.00 0.00 C ATOM 721 O LYS A 47 -0.527 0.013 -0.438 1.00 0.00 O ATOM 722 CB LYS A 47 -1.943 0.305 2.332 1.00 0.00 C ATOM 723 CG LYS A 47 -2.423 -0.469 3.548 1.00 0.00 C ATOM 724 CD LYS A 47 -3.915 -0.291 3.770 1.00 0.00 C ATOM 725 CE LYS A 47 -4.328 -0.732 5.165 1.00 0.00 C ATOM 726 NZ LYS A 47 -5.512 0.023 5.658 1.00 0.00 N ATOM 0 H LYS A 47 -0.067 0.959 3.794 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.323 -1.053 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.063 1.372 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.577 0.058 1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.197 -1.528 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.880 -0.133 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.183 0.755 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.466 -0.868 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.555 -1.798 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.494 -0.589 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.762 -0.307 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.288 1.038 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.315 -0.133 5.016 1.00 0.00 H new ATOM 740 N LEU A 48 0.479 1.757 0.566 1.00 0.00 N ATOM 741 CA LEU A 48 0.834 2.414 -0.688 1.00 0.00 C ATOM 742 C LEU A 48 2.262 2.066 -1.099 1.00 0.00 C ATOM 743 O LEU A 48 2.500 1.598 -2.212 1.00 0.00 O ATOM 744 CB LEU A 48 0.686 3.930 -0.552 1.00 0.00 C ATOM 745 CG LEU A 48 -0.721 4.441 -0.239 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.678 5.905 0.170 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.638 4.246 -1.437 1.00 0.00 C ATOM 0 H LEU A 48 0.776 2.257 1.404 1.00 0.00 H new ATOM 0 HA LEU A 48 0.155 2.057 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.358 4.272 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.021 4.393 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.120 3.864 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.688 6.251 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.056 6.017 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.259 6.498 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.635 4.615 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.243 4.797 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.694 3.186 -1.684 1.00 0.00 H new ATOM 759 N GLU A 49 3.206 2.295 -0.192 1.00 0.00 N ATOM 760 CA GLU A 49 4.609 2.005 -0.460 1.00 0.00 C ATOM 761 C GLU A 49 4.789 0.557 -0.907 1.00 0.00 C ATOM 762 O GLU A 49 5.593 0.264 -1.792 1.00 0.00 O ATOM 763 CB GLU A 49 5.456 2.274 0.785 1.00 0.00 C ATOM 764 CG GLU A 49 5.397 1.159 1.815 1.00 0.00 C ATOM 765 CD GLU A 49 6.380 0.042 1.524 1.00 0.00 C ATOM 766 OE1 GLU A 49 6.916 0.004 0.396 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.614 -0.793 2.422 1.00 0.00 O ATOM 0 H GLU A 49 3.024 2.680 0.735 1.00 0.00 H new ATOM 0 HA GLU A 49 4.941 2.661 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.493 2.424 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.122 3.202 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.603 1.571 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.387 0.750 1.845 1.00 0.00 H new ATOM 774 N VAL A 50 4.034 -0.346 -0.288 1.00 0.00 N ATOM 775 CA VAL A 50 4.109 -1.763 -0.622 1.00 0.00 C ATOM 776 C VAL A 50 3.736 -2.005 -2.080 1.00 0.00 C ATOM 777 O VAL A 50 4.433 -2.719 -2.800 1.00 0.00 O ATOM 778 CB VAL A 50 3.183 -2.601 0.279 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.637 -2.526 1.729 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.741 -2.137 0.139 1.00 0.00 C ATOM 0 H VAL A 50 3.364 -0.121 0.447 1.00 0.00 H new ATOM 0 HA VAL A 50 5.141 -2.073 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 50 3.239 -3.642 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.971 -3.124 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.653 -2.911 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.613 -1.489 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.101 -2.740 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.666 -1.090 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.422 -2.248 -0.897 1.00 0.00 H new ATOM 790 N ALA A 51 2.630 -1.404 -2.510 1.00 0.00 N ATOM 791 CA ALA A 51 2.165 -1.552 -3.883 1.00 0.00 C ATOM 792 C ALA A 51 3.152 -0.932 -4.867 1.00 0.00 C ATOM 793 O ALA A 51 3.347 -1.442 -5.970 1.00 0.00 O ATOM 794 CB ALA A 51 0.789 -0.923 -4.045 1.00 0.00 C ATOM 0 H ALA A 51 2.040 -0.810 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 51 2.094 -2.617 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.454 -1.041 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.083 -1.415 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.843 0.138 -3.800 1.00 0.00 H new ATOM 800 N TRP A 52 3.770 0.171 -4.460 1.00 0.00 N ATOM 801 CA TRP A 52 4.737 0.861 -5.307 1.00 0.00 C ATOM 802 C TRP A 52 6.013 0.040 -5.458 1.00 0.00 C ATOM 803 O TRP A 52 6.614 0.000 -6.532 1.00 0.00 O ATOM 804 CB TRP A 52 5.066 2.236 -4.724 1.00 0.00 C ATOM 805 CG TRP A 52 5.957 3.058 -5.606 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.604 4.165 -6.323 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.347 2.836 -5.866 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.691 4.645 -7.013 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.773 3.847 -6.749 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.274 1.882 -5.437 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.084 3.929 -7.209 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.575 1.965 -5.895 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.971 2.982 -6.773 1.00 0.00 C ATOM 0 H TRP A 52 3.619 0.606 -3.550 1.00 0.00 H new ATOM 0 HA TRP A 52 4.292 0.989 -6.294 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.138 2.780 -4.549 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.547 2.106 -3.754 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.616 4.600 -6.345 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.692 5.463 -7.623 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.979 1.094 -4.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.391 4.712 -7.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.299 1.233 -5.570 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.996 3.020 -7.112 1.00 0.00 H new ATOM 824 N LYS A 53 6.422 -0.614 -4.376 1.00 0.00 N ATOM 825 CA LYS A 53 7.626 -1.436 -4.388 1.00 0.00 C ATOM 826 C LYS A 53 7.349 -2.797 -5.018 1.00 0.00 C ATOM 827 O LYS A 53 8.228 -3.394 -5.639 1.00 0.00 O ATOM 828 CB LYS A 53 8.157 -1.619 -2.965 1.00 0.00 C ATOM 829 CG LYS A 53 8.534 -0.315 -2.283 1.00 0.00 C ATOM 830 CD LYS A 53 9.955 0.102 -2.623 1.00 0.00 C ATOM 831 CE LYS A 53 10.977 -0.758 -1.896 1.00 0.00 C ATOM 832 NZ LYS A 53 12.349 -0.572 -2.443 1.00 0.00 N ATOM 0 H LYS A 53 5.937 -0.591 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 53 8.379 -0.925 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.400 -2.127 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.031 -2.270 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.841 0.469 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.435 -0.426 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.111 0.023 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.102 1.148 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.972 -0.508 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.693 -1.807 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.046 -0.935 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.438 -1.091 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.522 0.440 -2.610 1.00 0.00 H new ATOM 846 N ALA A 54 6.123 -3.282 -4.853 1.00 0.00 N ATOM 847 CA ALA A 54 5.730 -4.571 -5.409 1.00 0.00 C ATOM 848 C ALA A 54 5.420 -4.456 -6.898 1.00 0.00 C ATOM 849 O ALA A 54 4.853 -5.369 -7.497 1.00 0.00 O ATOM 850 CB ALA A 54 4.527 -5.125 -4.659 1.00 0.00 C ATOM 0 H ALA A 54 5.385 -2.802 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 54 6.567 -5.259 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.245 -6.088 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.782 -5.254 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.692 -4.430 -4.747 1.00 0.00 H new ATOM 856 N LYS A 55 5.796 -3.327 -7.490 1.00 0.00 N ATOM 857 CA LYS A 55 5.559 -3.092 -8.909 1.00 0.00 C ATOM 858 C LYS A 55 4.084 -3.274 -9.252 1.00 0.00 C ATOM 859 O LYS A 55 3.743 -3.800 -10.312 1.00 0.00 O ATOM 860 CB LYS A 55 6.411 -4.042 -9.754 1.00 0.00 C ATOM 861 CG LYS A 55 7.904 -3.788 -9.634 1.00 0.00 C ATOM 862 CD LYS A 55 8.699 -4.693 -10.562 1.00 0.00 C ATOM 863 CE LYS A 55 10.067 -4.106 -10.874 1.00 0.00 C ATOM 864 NZ LYS A 55 10.843 -4.973 -11.804 1.00 0.00 N ATOM 0 H LYS A 55 6.266 -2.561 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 55 5.842 -2.063 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.200 -5.069 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.118 -3.948 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.117 -2.745 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.221 -3.953 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.819 -5.674 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.146 -4.842 -11.489 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.946 -3.117 -11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.626 -3.975 -9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.769 -4.539 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.981 -5.909 -11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.322 -5.077 -12.698 1.00 0.00 H new ATOM 878 N LYS A 56 3.213 -2.835 -8.350 1.00 0.00 N ATOM 879 CA LYS A 56 1.774 -2.946 -8.558 1.00 0.00 C ATOM 880 C LYS A 56 1.259 -1.802 -9.425 1.00 0.00 C ATOM 881 O LYS A 56 1.892 -0.751 -9.525 1.00 0.00 O ATOM 882 CB LYS A 56 1.043 -2.950 -7.214 1.00 0.00 C ATOM 883 CG LYS A 56 1.327 -4.181 -6.370 1.00 0.00 C ATOM 884 CD LYS A 56 0.381 -5.321 -6.710 1.00 0.00 C ATOM 885 CE LYS A 56 0.313 -6.343 -5.586 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.565 -5.886 -4.473 1.00 0.00 N ATOM 0 H LYS A 56 3.479 -2.399 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 56 1.579 -3.886 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.329 -2.061 -6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.030 -2.883 -7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.357 -4.502 -6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.230 -3.929 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.615 -4.923 -6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.712 -5.809 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.060 -7.289 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.317 -6.530 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.585 -6.610 -3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.195 -4.996 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.529 -5.732 -4.832 1.00 0.00 H new ATOM 900 N LYS A 57 0.106 -2.013 -10.051 1.00 0.00 N ATOM 901 CA LYS A 57 -0.497 -0.998 -10.908 1.00 0.00 C ATOM 902 C LYS A 57 -1.321 -0.012 -10.087 1.00 0.00 C ATOM 903 O LYS A 57 -1.343 1.185 -10.376 1.00 0.00 O ATOM 904 CB LYS A 57 -1.380 -1.658 -11.970 1.00 0.00 C ATOM 905 CG LYS A 57 -1.841 -0.702 -13.056 1.00 0.00 C ATOM 906 CD LYS A 57 -0.769 -0.501 -14.115 1.00 0.00 C ATOM 907 CE LYS A 57 -1.379 -0.208 -15.477 1.00 0.00 C ATOM 908 NZ LYS A 57 -0.379 0.360 -16.422 1.00 0.00 N ATOM 0 H LYS A 57 -0.430 -2.878 -9.981 1.00 0.00 H new ATOM 0 HA LYS A 57 0.306 -0.450 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.829 -2.479 -12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.254 -2.093 -11.485 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.746 -1.090 -13.523 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.098 0.259 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.117 0.322 -13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.147 -1.394 -14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.793 -1.126 -15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.207 0.491 -15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.834 0.546 -17.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.002 1.249 -16.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.399 -0.318 -16.553 1.00 0.00 H new ATOM 922 N ASP A 58 -1.995 -0.521 -9.062 1.00 0.00 N ATOM 923 CA ASP A 58 -2.819 0.316 -8.197 1.00 0.00 C ATOM 924 C ASP A 58 -3.153 -0.409 -6.897 1.00 0.00 C ATOM 925 O ASP A 58 -3.204 -1.638 -6.854 1.00 0.00 O ATOM 926 CB ASP A 58 -4.108 0.717 -8.917 1.00 0.00 C ATOM 927 CG ASP A 58 -4.742 -0.443 -9.659 1.00 0.00 C ATOM 928 OD1 ASP A 58 -5.413 -1.269 -9.005 1.00 0.00 O ATOM 929 OD2 ASP A 58 -4.566 -0.526 -10.893 1.00 0.00 O ATOM 0 H ASP A 58 -1.987 -1.509 -8.809 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.252 1.215 -7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.819 1.112 -8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.892 1.521 -9.621 1.00 0.00 H new ATOM 934 N THR A 59 -3.378 0.362 -5.837 1.00 0.00 N ATOM 935 CA THR A 59 -3.704 -0.206 -4.535 1.00 0.00 C ATOM 936 C THR A 59 -4.914 0.487 -3.920 1.00 0.00 C ATOM 937 O THR A 59 -4.947 1.713 -3.804 1.00 0.00 O ATOM 938 CB THR A 59 -2.515 -0.099 -3.562 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.812 -0.796 -2.347 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.199 1.357 -3.253 1.00 0.00 C ATOM 0 H THR A 59 -3.340 1.381 -5.855 1.00 0.00 H new ATOM 0 HA THR A 59 -3.936 -1.258 -4.698 1.00 0.00 H new ATOM 0 HB THR A 59 -1.644 -0.551 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.125 -0.594 -1.678 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.356 1.408 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.945 1.878 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.069 1.829 -2.797 1.00 0.00 H new ATOM 948 N VAL A 60 -5.907 -0.303 -3.527 1.00 0.00 N ATOM 949 CA VAL A 60 -7.119 0.235 -2.922 1.00 0.00 C ATOM 950 C VAL A 60 -6.915 0.513 -1.437 1.00 0.00 C ATOM 951 O VAL A 60 -6.322 -0.292 -0.719 1.00 0.00 O ATOM 952 CB VAL A 60 -8.308 -0.729 -3.093 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.400 -0.417 -2.081 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.850 -0.658 -4.513 1.00 0.00 C ATOM 0 H VAL A 60 -5.896 -1.319 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.341 1.169 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.958 -1.745 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.231 -1.109 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.002 -0.523 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.750 0.605 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.690 -1.345 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.184 0.358 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.065 -0.936 -5.216 1.00 0.00 H new ATOM 964 N VAL A 61 -7.412 1.659 -0.981 1.00 0.00 N ATOM 965 CA VAL A 61 -7.286 2.044 0.419 1.00 0.00 C ATOM 966 C VAL A 61 -8.547 2.744 0.913 1.00 0.00 C ATOM 967 O VAL A 61 -9.283 3.342 0.129 1.00 0.00 O ATOM 968 CB VAL A 61 -6.077 2.973 0.640 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.791 2.291 0.199 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.274 4.287 -0.102 1.00 0.00 C ATOM 0 H VAL A 61 -7.906 2.337 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.138 1.125 0.987 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.998 3.190 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.948 2.963 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.646 1.379 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.856 2.042 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.411 4.932 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.379 4.090 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.173 4.782 0.266 1.00 0.00 H new ATOM 980 N GLN A 62 -8.790 2.664 2.217 1.00 0.00 N ATOM 981 CA GLN A 62 -9.963 3.289 2.815 1.00 0.00 C ATOM 982 C GLN A 62 -9.706 4.765 3.104 1.00 0.00 C ATOM 983 O GLN A 62 -8.970 5.106 4.031 1.00 0.00 O ATOM 984 CB GLN A 62 -10.352 2.565 4.105 1.00 0.00 C ATOM 985 CG GLN A 62 -10.935 1.181 3.874 1.00 0.00 C ATOM 986 CD GLN A 62 -9.869 0.108 3.769 1.00 0.00 C ATOM 987 OE1 GLN A 62 -8.758 0.269 4.276 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.201 -0.995 3.109 1.00 0.00 N ATOM 0 H GLN A 62 -8.190 2.172 2.879 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.785 3.214 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.472 2.478 4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.079 3.170 4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.613 0.935 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.528 1.189 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.133 -1.086 2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.524 -1.751 3.006 1.00 0.00 H new ATOM 997 N ILE A 63 -10.315 5.634 2.305 1.00 0.00 N ATOM 998 CA ILE A 63 -10.152 7.072 2.476 1.00 0.00 C ATOM 999 C ILE A 63 -11.490 7.748 2.757 1.00 0.00 C ATOM 1000 O ILE A 63 -12.413 7.683 1.944 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.514 7.718 1.232 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.118 7.141 0.990 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.448 9.229 1.395 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.474 7.634 -0.287 1.00 0.00 C ATOM 0 H ILE A 63 -10.926 5.367 1.533 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.490 7.215 3.330 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.135 7.493 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.477 7.397 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.184 6.053 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.995 9.671 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.455 9.625 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.847 9.475 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.487 7.184 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.094 7.355 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.376 8.719 -0.250 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.588 8.397 3.913 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.813 9.087 4.300 1.00 0.00 C ATOM 1018 C HIS A 64 -13.961 8.098 4.479 1.00 0.00 C ATOM 1019 O HIS A 64 -15.106 8.395 4.141 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.186 10.136 3.252 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.145 11.197 3.069 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.435 12.464 2.608 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.810 11.175 3.290 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.323 13.175 2.552 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.322 12.416 2.961 1.00 0.00 N ATOM 0 H HIS A 64 -10.834 8.459 4.597 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.634 9.585 5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.358 9.639 2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.126 10.607 3.540 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -13.363 12.800 2.350 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.235 10.337 3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.245 14.202 2.227 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.645 6.922 5.011 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.650 5.889 5.233 1.00 0.00 C ATOM 1036 C ASN A 65 -15.181 5.353 3.907 1.00 0.00 C ATOM 1037 O ASN A 65 -16.300 4.847 3.835 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.804 6.442 6.071 1.00 0.00 C ATOM 1039 CG ASN A 65 -16.533 5.357 6.839 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -17.515 4.792 6.356 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -16.056 5.060 8.042 1.00 0.00 N ATOM 0 H ASN A 65 -12.701 6.661 5.296 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.178 5.069 5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.418 7.182 6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.509 6.957 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.506 4.338 8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.240 5.554 8.403 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.369 5.467 2.861 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.757 4.994 1.538 1.00 0.00 C ATOM 1050 C GLN A 66 -13.550 4.461 0.774 1.00 0.00 C ATOM 1051 O GLN A 66 -12.533 5.143 0.646 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.420 6.121 0.744 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.866 7.499 1.066 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.865 8.608 0.799 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.945 8.640 1.389 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.509 9.524 -0.094 1.00 0.00 N ATOM 0 H GLN A 66 -13.439 5.883 2.904 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.471 4.180 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.293 5.927 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.491 6.113 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.566 7.530 2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.969 7.673 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.604 9.458 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.141 10.294 -0.315 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.668 3.237 0.269 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.586 2.612 -0.483 1.00 0.00 C ATOM 1067 C ASP A 67 -12.263 3.415 -1.739 1.00 0.00 C ATOM 1068 O ASP A 67 -13.161 3.815 -2.481 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.961 1.179 -0.861 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.986 1.124 -1.977 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.154 1.491 -1.728 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -13.621 0.713 -3.098 1.00 0.00 O ATOM 0 H ASP A 67 -14.502 2.658 0.367 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.700 2.592 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.064 0.641 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.355 0.666 0.016 1.00 0.00 H new ATOM 1077 N PHE A 68 -10.976 3.649 -1.971 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.534 4.406 -3.136 1.00 0.00 C ATOM 1079 C PHE A 68 -9.445 3.652 -3.894 1.00 0.00 C ATOM 1080 O PHE A 68 -8.674 2.893 -3.305 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.016 5.781 -2.711 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.073 6.848 -2.716 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.265 6.664 -2.036 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.874 8.036 -3.402 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.240 7.644 -2.040 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.844 9.019 -3.410 1.00 0.00 C ATOM 1087 CZ PHE A 68 -13.029 8.824 -2.727 1.00 0.00 C ATOM 0 H PHE A 68 -10.220 3.325 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.390 4.537 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.591 5.707 -1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.208 6.078 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.435 5.744 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.949 8.195 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.166 7.487 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.676 9.939 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.788 9.592 -2.730 1.00 0.00 H new ATOM 1097 N THR A 69 -9.388 3.865 -5.205 1.00 0.00 N ATOM 1098 CA THR A 69 -8.396 3.206 -6.044 1.00 0.00 C ATOM 1099 C THR A 69 -7.205 4.119 -6.309 1.00 0.00 C ATOM 1100 O THR A 69 -7.297 5.063 -7.094 1.00 0.00 O ATOM 1101 CB THR A 69 -9.002 2.767 -7.391 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.162 1.958 -7.166 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.986 1.989 -8.213 1.00 0.00 C ATOM 0 H THR A 69 -10.018 4.489 -5.709 1.00 0.00 H new ATOM 0 HA THR A 69 -8.059 2.323 -5.500 1.00 0.00 H new ATOM 0 HB THR A 69 -9.286 3.661 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.542 1.685 -8.027 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.436 1.690 -9.159 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.117 2.618 -8.407 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.675 1.101 -7.662 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.087 3.833 -5.650 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.876 4.628 -5.817 1.00 0.00 C ATOM 1113 C VAL A 70 -3.970 4.032 -6.887 1.00 0.00 C ATOM 1114 O VAL A 70 -3.395 2.959 -6.702 1.00 0.00 O ATOM 1115 CB VAL A 70 -4.090 4.737 -4.496 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.729 5.371 -4.736 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.884 5.529 -3.468 1.00 0.00 C ATOM 0 H VAL A 70 -5.995 3.056 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.192 5.624 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.931 3.733 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.188 5.440 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.161 4.759 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.861 6.370 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.314 5.596 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.075 6.532 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.832 5.027 -3.275 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.845 4.735 -8.008 1.00 0.00 N ATOM 1128 CA ASP A 71 -3.007 4.276 -9.109 1.00 0.00 C ATOM 1129 C ASP A 71 -1.582 4.801 -8.963 1.00 0.00 C ATOM 1130 O ASP A 71 -1.351 6.011 -8.969 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.594 4.726 -10.448 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.294 3.751 -11.569 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -2.101 3.462 -11.799 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.251 3.278 -12.217 1.00 0.00 O ATOM 0 H ASP A 71 -4.314 5.625 -8.178 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.979 3.187 -9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.673 4.839 -10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.193 5.706 -10.706 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.630 3.885 -8.830 1.00 0.00 N ATOM 1140 CA LEU A 72 0.773 4.255 -8.681 1.00 0.00 C ATOM 1141 C LEU A 72 1.345 4.766 -10.000 1.00 0.00 C ATOM 1142 O LEU A 72 2.068 5.761 -10.031 1.00 0.00 O ATOM 1143 CB LEU A 72 1.588 3.058 -8.189 1.00 0.00 C ATOM 1144 CG LEU A 72 1.073 2.371 -6.923 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.440 0.895 -6.931 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.629 3.054 -5.682 1.00 0.00 C ATOM 0 H LEU A 72 -0.804 2.880 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 72 0.835 5.056 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.629 2.318 -8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.611 3.389 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.014 2.455 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.066 0.422 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.994 0.414 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.524 0.790 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.252 2.552 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.718 3.002 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.316 4.098 -5.670 1.00 0.00 H new ATOM 1158 N SER A 73 1.014 4.078 -11.088 1.00 0.00 N ATOM 1159 CA SER A 73 1.495 4.461 -12.410 1.00 0.00 C ATOM 1160 C SER A 73 1.472 5.977 -12.579 1.00 0.00 C ATOM 1161 O SER A 73 2.415 6.570 -13.104 1.00 0.00 O ATOM 1162 CB SER A 73 0.643 3.802 -13.497 1.00 0.00 C ATOM 1163 OG SER A 73 1.198 2.561 -13.898 1.00 0.00 O ATOM 0 H SER A 73 0.415 3.253 -11.080 1.00 0.00 H new ATOM 0 HA SER A 73 2.525 4.118 -12.508 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.370 3.648 -13.126 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.569 4.466 -14.358 1.00 0.00 H new ATOM 0 HG SER A 73 1.114 2.464 -14.869 1.00 0.00 H new ATOM 1169 N THR A 74 0.386 6.600 -12.130 1.00 0.00 N ATOM 1170 CA THR A 74 0.238 8.046 -12.231 1.00 0.00 C ATOM 1171 C THR A 74 0.287 8.701 -10.856 1.00 0.00 C ATOM 1172 O THR A 74 0.539 9.900 -10.738 1.00 0.00 O ATOM 1173 CB THR A 74 -1.085 8.427 -12.922 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.178 9.851 -13.051 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.277 7.906 -12.134 1.00 0.00 C ATOM 0 H THR A 74 -0.404 6.125 -11.693 1.00 0.00 H new ATOM 0 HA THR A 74 1.072 8.408 -12.832 1.00 0.00 H new ATOM 0 HB THR A 74 -1.097 7.971 -13.912 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.021 10.085 -13.493 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.200 8.187 -12.641 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.219 6.820 -12.062 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.268 8.337 -11.133 1.00 0.00 H new ATOM 1183 N ASN A 75 0.046 7.907 -9.818 1.00 0.00 N ATOM 1184 CA ASN A 75 0.064 8.411 -8.450 1.00 0.00 C ATOM 1185 C ASN A 75 -1.149 9.296 -8.180 1.00 0.00 C ATOM 1186 O ASN A 75 -1.014 10.446 -7.761 1.00 0.00 O ATOM 1187 CB ASN A 75 1.350 9.198 -8.190 1.00 0.00 C ATOM 1188 CG ASN A 75 2.544 8.610 -8.917 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.725 8.827 -10.115 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.367 7.860 -8.192 1.00 0.00 N ATOM 0 H ASN A 75 -0.164 6.912 -9.898 1.00 0.00 H new ATOM 0 HA ASN A 75 0.026 7.556 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.210 10.232 -8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.552 9.215 -7.119 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.188 7.438 -8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.178 7.707 -7.201 1.00 0.00 H new ATOM 1197 N THR A 76 -2.338 8.751 -8.423 1.00 0.00 N ATOM 1198 CA THR A 76 -3.575 9.490 -8.208 1.00 0.00 C ATOM 1199 C THR A 76 -4.691 8.567 -7.731 1.00 0.00 C ATOM 1200 O THR A 76 -4.856 7.461 -8.245 1.00 0.00 O ATOM 1201 CB THR A 76 -4.033 10.207 -9.492 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.033 11.142 -9.914 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.350 10.934 -9.267 1.00 0.00 C ATOM 0 H THR A 76 -2.469 7.800 -8.769 1.00 0.00 H new ATOM 0 HA THR A 76 -3.368 10.234 -7.439 1.00 0.00 H new ATOM 0 HB THR A 76 -4.179 9.456 -10.268 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.331 11.593 -10.732 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.652 11.432 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.116 10.216 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.226 11.675 -8.477 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.454 9.028 -6.746 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.556 8.244 -6.201 1.00 0.00 C ATOM 1213 C ALA A 77 -7.867 8.580 -6.902 1.00 0.00 C ATOM 1214 O ALA A 77 -8.079 9.712 -7.339 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.681 8.479 -4.703 1.00 0.00 C ATOM 0 H ALA A 77 -5.329 9.941 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.341 7.190 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.508 7.887 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.755 8.182 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.870 9.536 -4.515 1.00 0.00 H new ATOM 1221 N THR A 78 -8.747 7.589 -7.009 1.00 0.00 N ATOM 1222 CA THR A 78 -10.038 7.779 -7.659 1.00 0.00 C ATOM 1223 C THR A 78 -11.089 6.839 -7.080 1.00 0.00 C ATOM 1224 O THR A 78 -10.783 5.708 -6.702 1.00 0.00 O ATOM 1225 CB THR A 78 -9.940 7.548 -9.179 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.859 8.313 -9.722 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.239 7.937 -9.869 1.00 0.00 C ATOM 0 H THR A 78 -8.589 6.646 -6.654 1.00 0.00 H new ATOM 0 HA THR A 78 -10.337 8.811 -7.474 1.00 0.00 H new ATOM 0 HB THR A 78 -9.757 6.488 -9.352 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.803 8.159 -10.688 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.147 7.766 -10.941 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.056 7.333 -9.474 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.446 8.991 -9.687 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.328 7.313 -7.013 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.425 6.513 -6.482 1.00 0.00 C ATOM 1237 C ALA A 79 -14.679 6.665 -7.337 1.00 0.00 C ATOM 1238 O ALA A 79 -14.869 7.664 -8.031 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.715 6.905 -5.041 1.00 0.00 C ATOM 0 H ALA A 79 -12.598 8.248 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.124 5.466 -6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.536 6.300 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.826 6.738 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.991 7.959 -4.999 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.556 5.652 -7.287 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.807 5.650 -8.051 1.00 0.00 C ATOM 1247 C PRO A 80 -17.809 6.672 -7.525 1.00 0.00 C ATOM 1248 O PRO A 80 -18.926 6.777 -8.032 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.340 4.228 -7.855 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.745 3.775 -6.567 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.394 4.430 -6.482 1.00 0.00 C ATOM 0 HA PRO A 80 -16.648 5.920 -9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.429 4.216 -7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.045 3.577 -8.678 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.373 4.064 -5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.655 2.689 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.123 4.661 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.610 3.787 -6.881 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.402 7.423 -6.507 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.266 8.436 -5.913 1.00 0.00 C ATOM 1261 C GLN A 81 -18.124 9.768 -6.643 1.00 0.00 C ATOM 1262 O GLN A 81 -19.106 10.479 -6.854 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.932 8.616 -4.431 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.836 7.306 -3.666 1.00 0.00 C ATOM 1265 CD GLN A 81 -18.234 7.449 -2.210 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -19.250 8.066 -1.891 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -17.433 6.877 -1.318 1.00 0.00 N ATOM 0 H GLN A 81 -16.480 7.349 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.298 8.098 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.985 9.149 -4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.695 9.242 -3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.477 6.564 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.815 6.930 -3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.601 6.375 -1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -17.650 6.940 -0.323 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.895 10.099 -7.027 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.648 11.345 -7.729 1.00 0.00 C ATOM 1278 C GLY A 82 -15.577 12.184 -7.061 1.00 0.00 C ATOM 1279 O GLY A 82 -15.648 13.413 -7.069 1.00 0.00 O ATOM 0 H GLY A 82 -16.066 9.527 -6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.348 11.128 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.574 11.918 -7.782 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.583 11.519 -6.480 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.494 12.213 -5.802 1.00 0.00 C ATOM 1285 C GLN A 83 -12.143 11.633 -6.208 1.00 0.00 C ATOM 1286 O GLN A 83 -11.953 10.416 -6.211 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.667 12.119 -4.285 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.716 13.071 -3.733 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.100 12.453 -3.689 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.929 12.696 -4.567 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.356 11.647 -2.665 1.00 0.00 N ATOM 0 H GLN A 83 -14.509 10.502 -6.465 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.524 13.261 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.941 11.097 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.711 12.327 -3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.428 13.380 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.744 13.971 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.639 11.474 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.270 11.201 -2.583 1.00 0.00 H new ATOM 1300 N THR A 84 -11.206 12.511 -6.552 1.00 0.00 N ATOM 1301 CA THR A 84 -9.874 12.087 -6.961 1.00 0.00 C ATOM 1302 C THR A 84 -8.796 12.893 -6.245 1.00 0.00 C ATOM 1303 O THR A 84 -8.965 14.085 -5.990 1.00 0.00 O ATOM 1304 CB THR A 84 -9.681 12.231 -8.483 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.718 13.614 -8.853 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.758 11.469 -9.239 1.00 0.00 C ATOM 0 H THR A 84 -11.346 13.521 -6.555 1.00 0.00 H new ATOM 0 HA THR A 84 -9.779 11.036 -6.688 1.00 0.00 H new ATOM 0 HB THR A 84 -8.710 11.812 -8.745 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.593 13.697 -9.821 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.601 11.585 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.708 10.412 -8.977 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.738 11.863 -8.971 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.687 12.235 -5.924 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.581 12.890 -5.237 1.00 0.00 C ATOM 1316 C PHE A 85 -5.244 12.501 -5.862 1.00 0.00 C ATOM 1317 O PHE A 85 -5.187 11.661 -6.761 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.587 12.525 -3.751 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.960 12.259 -3.205 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.862 13.296 -3.026 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.350 10.972 -2.870 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.127 13.054 -2.525 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.614 10.725 -2.368 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.503 11.767 -2.194 1.00 0.00 C ATOM 0 H PHE A 85 -7.531 11.248 -6.129 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.710 13.967 -5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.967 11.641 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.130 13.336 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.573 14.305 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.659 10.153 -3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.821 13.871 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.906 9.717 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.490 11.576 -1.800 1.00 0.00 H new ATOM 1334 N THR A 86 -4.170 13.118 -5.381 1.00 0.00 N ATOM 1335 CA THR A 86 -2.834 12.839 -5.892 1.00 0.00 C ATOM 1336 C THR A 86 -1.921 12.317 -4.789 1.00 0.00 C ATOM 1337 O THR A 86 -1.733 12.972 -3.763 1.00 0.00 O ATOM 1338 CB THR A 86 -2.198 14.095 -6.518 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.008 14.565 -7.602 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.793 13.797 -7.020 1.00 0.00 C ATOM 0 H THR A 86 -4.199 13.815 -4.637 1.00 0.00 H new ATOM 0 HA THR A 86 -2.944 12.074 -6.661 1.00 0.00 H new ATOM 0 HB THR A 86 -2.136 14.866 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.598 15.364 -7.994 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.364 14.698 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.172 13.467 -6.188 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.835 13.012 -7.775 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.354 11.134 -5.006 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.459 10.525 -4.030 1.00 0.00 C ATOM 1350 C VAL A 87 1.001 10.792 -4.383 1.00 0.00 C ATOM 1351 O VAL A 87 1.393 10.707 -5.546 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.683 9.004 -3.936 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.950 8.699 -3.151 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.744 8.387 -5.325 1.00 0.00 C ATOM 0 H VAL A 87 -1.499 10.579 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.686 10.978 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 87 0.160 8.562 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.092 7.620 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.861 9.106 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.806 9.152 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.903 7.312 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.567 8.832 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.194 8.575 -5.848 1.00 0.00 H new ATOM 1364 N GLN A 88 1.799 11.113 -3.370 1.00 0.00 N ATOM 1365 CA GLN A 88 3.215 11.393 -3.573 1.00 0.00 C ATOM 1366 C GLN A 88 4.077 10.539 -2.648 1.00 0.00 C ATOM 1367 O GLN A 88 3.729 10.320 -1.488 1.00 0.00 O ATOM 1368 CB GLN A 88 3.504 12.876 -3.334 1.00 0.00 C ATOM 1369 CG GLN A 88 3.076 13.365 -1.960 1.00 0.00 C ATOM 1370 CD GLN A 88 2.814 14.858 -1.927 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.220 15.591 -2.829 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.133 15.317 -0.884 1.00 0.00 N ATOM 0 H GLN A 88 1.489 11.186 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 88 3.464 11.144 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.572 13.054 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.993 13.465 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.174 12.835 -1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.851 13.120 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.815 14.674 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.927 16.313 -0.808 1.00 0.00 H new ATOM 1381 N ARG A 89 5.202 10.061 -3.169 1.00 0.00 N ATOM 1382 CA ARG A 89 6.112 9.230 -2.390 1.00 0.00 C ATOM 1383 C ARG A 89 7.287 10.052 -1.869 1.00 0.00 C ATOM 1384 O ARG A 89 7.926 10.788 -2.621 1.00 0.00 O ATOM 1385 CB ARG A 89 6.627 8.066 -3.239 1.00 0.00 C ATOM 1386 CG ARG A 89 7.255 6.948 -2.423 1.00 0.00 C ATOM 1387 CD ARG A 89 7.510 5.713 -3.273 1.00 0.00 C ATOM 1388 NE ARG A 89 8.190 4.662 -2.522 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.509 4.603 -2.371 1.00 0.00 C ATOM 1390 NH1 ARG A 89 10.284 5.530 -2.917 1.00 0.00 N ATOM 1391 NH2 ARG A 89 10.054 3.615 -1.673 1.00 0.00 N ATOM 0 H ARG A 89 5.505 10.235 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 89 5.562 8.833 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.801 7.659 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.363 8.443 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.194 7.294 -1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.599 6.690 -1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.562 5.332 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.112 5.987 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 89 7.622 3.933 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.868 6.291 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.296 5.482 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.461 2.900 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.066 3.570 -1.557 1.00 0.00 H new ATOM 1405 N LEU A 90 7.565 9.922 -0.576 1.00 0.00 N ATOM 1406 CA LEU A 90 8.663 10.654 0.047 1.00 0.00 C ATOM 1407 C LEU A 90 9.516 9.726 0.906 1.00 0.00 C ATOM 1408 O LEU A 90 8.995 8.878 1.630 1.00 0.00 O ATOM 1409 CB LEU A 90 8.118 11.800 0.901 1.00 0.00 C ATOM 1410 CG LEU A 90 6.957 12.592 0.299 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.627 11.954 0.670 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.003 14.041 0.762 1.00 0.00 C ATOM 0 H LEU A 90 7.046 9.317 0.061 1.00 0.00 H new ATOM 0 HA LEU A 90 9.289 11.065 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.795 11.391 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.934 12.492 1.109 1.00 0.00 H new ATOM 0 HG LEU A 90 7.055 12.575 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.812 12.531 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.594 10.933 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.520 11.940 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.169 14.590 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.930 14.078 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.942 14.494 0.445 1.00 0.00 H new ATOM 1424 N VAL A 91 10.832 9.894 0.821 1.00 0.00 N ATOM 1425 CA VAL A 91 11.759 9.074 1.592 1.00 0.00 C ATOM 1426 C VAL A 91 12.220 9.802 2.850 1.00 0.00 C ATOM 1427 O VAL A 91 12.763 10.904 2.780 1.00 0.00 O ATOM 1428 CB VAL A 91 12.993 8.685 0.757 1.00 0.00 C ATOM 1429 CG1 VAL A 91 13.906 7.762 1.550 1.00 0.00 C ATOM 1430 CG2 VAL A 91 12.567 8.033 -0.550 1.00 0.00 C ATOM 0 H VAL A 91 11.280 10.591 0.226 1.00 0.00 H new ATOM 0 HA VAL A 91 11.221 8.169 1.875 1.00 0.00 H new ATOM 0 HB VAL A 91 13.550 9.591 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.772 7.498 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.238 8.269 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 91 13.363 6.856 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.451 7.764 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.987 7.135 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.957 8.731 -1.123 1.00 0.00 H new ATOM 1440 N LYS A 92 12.000 9.177 4.002 1.00 0.00 N ATOM 1441 CA LYS A 92 12.393 9.763 5.278 1.00 0.00 C ATOM 1442 C LYS A 92 13.875 9.526 5.551 1.00 0.00 C ATOM 1443 O LYS A 92 14.243 8.595 6.267 1.00 0.00 O ATOM 1444 CB LYS A 92 11.554 9.173 6.414 1.00 0.00 C ATOM 1445 CG LYS A 92 10.058 9.345 6.217 1.00 0.00 C ATOM 1446 CD LYS A 92 9.554 10.626 6.860 1.00 0.00 C ATOM 1447 CE LYS A 92 9.595 11.793 5.885 1.00 0.00 C ATOM 1448 NZ LYS A 92 10.883 12.536 5.965 1.00 0.00 N ATOM 0 H LYS A 92 11.551 8.264 4.078 1.00 0.00 H new ATOM 0 HA LYS A 92 12.218 10.838 5.225 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.780 8.111 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.845 9.645 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.830 9.358 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.533 8.491 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.533 10.480 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.162 10.859 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.451 11.423 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.770 12.473 6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.709 13.495 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.532 12.037 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.309 12.596 5.018 1.00 0.00 H new ATOM 1462 N ALA A 93 14.721 10.376 4.978 1.00 0.00 N ATOM 1463 CA ALA A 93 16.162 10.261 5.163 1.00 0.00 C ATOM 1464 C ALA A 93 16.543 10.436 6.629 1.00 0.00 C ATOM 1465 O ALA A 93 15.964 11.260 7.337 1.00 0.00 O ATOM 1466 CB ALA A 93 16.888 11.284 4.302 1.00 0.00 C ATOM 0 H ALA A 93 14.433 11.152 4.382 1.00 0.00 H new ATOM 0 HA ALA A 93 16.464 9.261 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.963 11.187 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.649 11.111 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.572 12.288 4.586 1.00 0.00 H new ATOM 1472 N SER A 94 17.519 9.654 7.080 1.00 0.00 N ATOM 1473 CA SER A 94 17.974 9.720 8.464 1.00 0.00 C ATOM 1474 C SER A 94 19.412 10.226 8.539 1.00 0.00 C ATOM 1475 O SER A 94 20.346 9.538 8.132 1.00 0.00 O ATOM 1476 CB SER A 94 17.871 8.343 9.122 1.00 0.00 C ATOM 1477 OG SER A 94 18.213 8.408 10.496 1.00 0.00 O ATOM 0 H SER A 94 18.010 8.967 6.507 1.00 0.00 H new ATOM 0 HA SER A 94 17.332 10.420 8.999 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.856 7.960 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.532 7.642 8.612 1.00 0.00 H new ATOM 0 HG SER A 94 18.138 7.516 10.894 1.00 0.00 H new ATOM 1483 N GLY A 95 19.580 11.436 9.065 1.00 0.00 N ATOM 1484 CA GLY A 95 20.905 12.015 9.185 1.00 0.00 C ATOM 1485 C GLY A 95 21.178 13.062 8.124 1.00 0.00 C ATOM 1486 O GLY A 95 20.957 12.842 6.933 1.00 0.00 O ATOM 0 H GLY A 95 18.822 12.025 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.013 12.465 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.652 11.224 9.112 1.00 0.00 H new ATOM 1490 N PRO A 96 21.670 14.233 8.555 1.00 0.00 N ATOM 1491 CA PRO A 96 21.984 15.342 7.649 1.00 0.00 C ATOM 1492 C PRO A 96 23.193 15.046 6.768 1.00 0.00 C ATOM 1493 O PRO A 96 24.063 14.258 7.137 1.00 0.00 O ATOM 1494 CB PRO A 96 22.285 16.503 8.599 1.00 0.00 C ATOM 1495 CG PRO A 96 22.730 15.851 9.863 1.00 0.00 C ATOM 1496 CD PRO A 96 21.958 14.565 9.960 1.00 0.00 C ATOM 0 HA PRO A 96 21.169 15.544 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 96 23.060 17.154 8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 96 21.402 17.121 8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 96 23.803 15.662 9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 96 22.532 16.491 10.723 1.00 0.00 H new ATOM 0 HD2 PRO A 96 22.540 13.783 10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.043 14.688 10.539 1.00 0.00 H new ATOM 1504 N SER A 97 23.241 15.685 5.603 1.00 0.00 N ATOM 1505 CA SER A 97 24.343 15.487 4.669 1.00 0.00 C ATOM 1506 C SER A 97 24.665 16.781 3.927 1.00 0.00 C ATOM 1507 O SER A 97 23.903 17.223 3.067 1.00 0.00 O ATOM 1508 CB SER A 97 23.998 14.384 3.666 1.00 0.00 C ATOM 1509 OG SER A 97 24.161 13.101 4.244 1.00 0.00 O ATOM 0 H SER A 97 22.530 16.343 5.284 1.00 0.00 H new ATOM 0 HA SER A 97 25.221 15.187 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.969 14.505 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 97 24.637 14.474 2.787 1.00 0.00 H new ATOM 0 HG SER A 97 24.279 13.191 5.213 1.00 0.00 H new ATOM 1515 N SER A 98 25.799 17.385 4.268 1.00 0.00 N ATOM 1516 CA SER A 98 26.221 18.631 3.638 1.00 0.00 C ATOM 1517 C SER A 98 27.714 18.867 3.848 1.00 0.00 C ATOM 1518 O SER A 98 28.340 18.236 4.699 1.00 0.00 O ATOM 1519 CB SER A 98 25.422 19.808 4.201 1.00 0.00 C ATOM 1520 OG SER A 98 25.736 21.010 3.519 1.00 0.00 O ATOM 0 H SER A 98 26.442 17.032 4.977 1.00 0.00 H new ATOM 0 HA SER A 98 26.031 18.551 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 98 24.355 19.603 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 98 25.637 19.922 5.264 1.00 0.00 H new ATOM 0 HG SER A 98 25.211 21.747 3.896 1.00 0.00 H new ATOM 1526 N GLY A 99 28.278 19.782 3.065 1.00 0.00 N ATOM 1527 CA GLY A 99 29.692 20.087 3.180 1.00 0.00 C ATOM 1528 C GLY A 99 30.401 20.061 1.841 1.00 0.00 C ATOM 1529 O GLY A 99 31.290 20.873 1.586 1.00 0.00 O ATOM 0 H GLY A 99 27.781 20.317 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 99 29.813 21.071 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 99 30.162 19.368 3.851 1.00 0.00 H new TER 1533 GLY A 99