USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 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 10 LYS NZ :NH3+ 157:sc= -0.0292 (180deg=-0.209) USER MOD Set 1.2: A 13 HIS : no HD1:sc= -0.928 K(o=-0.96,f=-2.2!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 52:sc= 0.498 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.112) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -2.24! F(o=-3.2,f=-2.2!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 162:sc= -0.0346 (180deg=-0.354) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.000422 X(o=-0.00042,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.433! F(o=-1.4,f=-0.43!) USER MOD Single : A 31 ASN : amide:sc=-0.00198 X(o=-0.002,f=0) USER MOD Single : A 36 THR OG1 : rot -110:sc= -1.21 USER MOD Single : A 40 TYR OH : rot 65:sc= 0.321 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.46) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 44 LYS NZ :NH3+ 138:sc= -0.866 (180deg=-2.74!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.00028) USER MOD Single : A 53 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 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 66 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.002) USER MOD Single : A 67 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -174:sc= 0 (180deg=-0.0144) USER MOD Single : A 75 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.011) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.1!) USER MOD Single : A 81 GLN : amide:sc=-0.000947 K(o=-0.00095,f=-0.51) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -70:sc= 0.261 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 31:sc= -0.112 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 63.485 15.624 -28.742 1.00 0.00 N ATOM 2 CA ARG A 1 62.895 16.713 -27.983 1.00 0.00 C ATOM 3 C ARG A 1 61.462 16.973 -28.451 1.00 0.00 C ATOM 4 O ARG A 1 61.234 17.791 -29.341 1.00 0.00 O ATOM 5 CB ARG A 1 63.714 17.997 -28.134 1.00 0.00 C ATOM 6 CG ARG A 1 64.147 18.536 -26.769 1.00 0.00 C ATOM 7 CD ARG A 1 64.601 19.993 -26.873 1.00 0.00 C ATOM 8 NE ARG A 1 66.079 20.061 -26.906 1.00 0.00 N ATOM 9 CZ ARG A 1 66.818 19.936 -28.029 1.00 0.00 C ATOM 10 NH1 ARG A 1 66.221 19.736 -29.223 1.00 0.00 N ATOM 11 NH2 ARG A 1 68.133 20.014 -27.943 1.00 0.00 N ATOM 0 H1 ARG A 1 64.458 15.459 -28.413 1.00 0.00 H new ATOM 0 H2 ARG A 1 62.922 14.760 -28.605 1.00 0.00 H new ATOM 0 H3 ARG A 1 63.498 15.872 -29.752 1.00 0.00 H new ATOM 0 HA ARG A 1 62.890 16.419 -26.933 1.00 0.00 H new ATOM 0 HB2 ARG A 1 64.594 17.801 -28.747 1.00 0.00 H new ATOM 0 HB3 ARG A 1 63.123 18.750 -28.655 1.00 0.00 H new ATOM 0 HG2 ARG A 1 63.319 18.459 -26.064 1.00 0.00 H new ATOM 0 HG3 ARG A 1 64.959 17.926 -26.374 1.00 0.00 H new ATOM 0 HD2 ARG A 1 64.188 20.448 -27.773 1.00 0.00 H new ATOM 0 HD3 ARG A 1 64.221 20.562 -26.025 1.00 0.00 H new ATOM 0 HE ARG A 1 66.570 20.212 -26.025 1.00 0.00 H new ATOM 0 HH11 ARG A 1 65.204 19.678 -29.282 1.00 0.00 H new ATOM 0 HH12 ARG A 1 66.787 19.643 -30.067 1.00 0.00 H new ATOM 0 HH21 ARG A 1 68.577 20.167 -27.037 1.00 0.00 H new ATOM 0 HH22 ARG A 1 68.705 19.922 -28.782 1.00 0.00 H new ATOM 24 N LYS A 2 60.533 16.260 -27.831 1.00 0.00 N ATOM 25 CA LYS A 2 59.128 16.403 -28.173 1.00 0.00 C ATOM 26 C LYS A 2 58.276 15.691 -27.120 1.00 0.00 C ATOM 27 O LYS A 2 57.785 14.588 -27.356 1.00 0.00 O ATOM 28 CB LYS A 2 58.873 15.918 -29.601 1.00 0.00 C ATOM 29 CG LYS A 2 57.449 16.254 -30.048 1.00 0.00 C ATOM 30 CD LYS A 2 57.397 16.529 -31.553 1.00 0.00 C ATOM 31 CE LYS A 2 56.529 17.751 -31.857 1.00 0.00 C ATOM 32 NZ LYS A 2 55.561 17.445 -32.934 1.00 0.00 N ATOM 0 H LYS A 2 60.726 15.582 -27.094 1.00 0.00 H new ATOM 0 HA LYS A 2 58.838 17.454 -28.161 1.00 0.00 H new ATOM 0 HB2 LYS A 2 59.590 16.381 -30.279 1.00 0.00 H new ATOM 0 HB3 LYS A 2 59.031 14.841 -29.657 1.00 0.00 H new ATOM 0 HG2 LYS A 2 56.782 15.427 -29.803 1.00 0.00 H new ATOM 0 HG3 LYS A 2 57.089 17.126 -29.503 1.00 0.00 H new ATOM 0 HD2 LYS A 2 58.406 16.692 -31.932 1.00 0.00 H new ATOM 0 HD3 LYS A 2 56.999 15.657 -32.072 1.00 0.00 H new ATOM 0 HE2 LYS A 2 55.996 18.058 -30.957 1.00 0.00 H new ATOM 0 HE3 LYS A 2 57.161 18.588 -32.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 54.980 18.286 -33.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 56.075 17.174 -33.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 54.947 16.661 -32.636 1.00 0.00 H new ATOM 45 N LEU A 3 58.127 16.351 -25.981 1.00 0.00 N ATOM 46 CA LEU A 3 57.343 15.795 -24.891 1.00 0.00 C ATOM 47 C LEU A 3 57.250 16.822 -23.760 1.00 0.00 C ATOM 48 O LEU A 3 58.009 17.789 -23.731 1.00 0.00 O ATOM 49 CB LEU A 3 57.917 14.447 -24.451 1.00 0.00 C ATOM 50 CG LEU A 3 56.909 13.306 -24.300 1.00 0.00 C ATOM 51 CD1 LEU A 3 56.387 12.850 -25.664 1.00 0.00 C ATOM 52 CD2 LEU A 3 57.508 12.148 -23.499 1.00 0.00 C ATOM 0 H LEU A 3 58.536 17.266 -25.789 1.00 0.00 H new ATOM 0 HA LEU A 3 56.325 15.589 -25.221 1.00 0.00 H new ATOM 0 HB2 LEU A 3 58.674 14.143 -25.174 1.00 0.00 H new ATOM 0 HB3 LEU A 3 58.425 14.585 -23.497 1.00 0.00 H new ATOM 0 HG LEU A 3 56.053 13.679 -23.737 1.00 0.00 H new ATOM 0 HD11 LEU A 3 55.672 12.038 -25.527 1.00 0.00 H new ATOM 0 HD12 LEU A 3 55.896 13.685 -26.164 1.00 0.00 H new ATOM 0 HD13 LEU A 3 57.220 12.501 -26.274 1.00 0.00 H new ATOM 0 HD21 LEU A 3 56.771 11.350 -23.406 1.00 0.00 H new ATOM 0 HD22 LEU A 3 58.391 11.768 -24.013 1.00 0.00 H new ATOM 0 HD23 LEU A 3 57.789 12.499 -22.506 1.00 0.00 H new ATOM 64 N GLU A 4 56.312 16.576 -22.857 1.00 0.00 N ATOM 65 CA GLU A 4 56.110 17.467 -21.727 1.00 0.00 C ATOM 66 C GLU A 4 57.446 17.780 -21.052 1.00 0.00 C ATOM 67 O GLU A 4 58.365 16.963 -21.076 1.00 0.00 O ATOM 68 CB GLU A 4 55.118 16.869 -20.728 1.00 0.00 C ATOM 69 CG GLU A 4 55.644 15.552 -20.155 1.00 0.00 C ATOM 70 CD GLU A 4 55.272 14.373 -21.057 1.00 0.00 C ATOM 71 OE1 GLU A 4 54.372 14.499 -21.901 1.00 0.00 O ATOM 72 OE2 GLU A 4 55.955 13.297 -20.858 1.00 0.00 O ATOM 0 H GLU A 4 55.684 15.773 -22.885 1.00 0.00 H new ATOM 0 HA GLU A 4 55.685 18.400 -22.097 1.00 0.00 H new ATOM 0 HB2 GLU A 4 54.940 17.577 -19.918 1.00 0.00 H new ATOM 0 HB3 GLU A 4 54.160 16.699 -21.219 1.00 0.00 H new ATOM 0 HG2 GLU A 4 56.727 15.605 -20.048 1.00 0.00 H new ATOM 0 HG3 GLU A 4 55.233 15.395 -19.158 1.00 0.00 H new ATOM 80 N LEU A 5 57.513 18.966 -20.465 1.00 0.00 N ATOM 81 CA LEU A 5 58.722 19.398 -19.785 1.00 0.00 C ATOM 82 C LEU A 5 58.419 20.653 -18.963 1.00 0.00 C ATOM 83 O LEU A 5 58.806 21.756 -19.344 1.00 0.00 O ATOM 84 CB LEU A 5 59.865 19.579 -20.786 1.00 0.00 C ATOM 85 CG LEU A 5 61.155 20.183 -20.228 1.00 0.00 C ATOM 86 CD1 LEU A 5 62.313 19.189 -20.326 1.00 0.00 C ATOM 87 CD2 LEU A 5 61.480 21.511 -20.915 1.00 0.00 C ATOM 0 H LEU A 5 56.749 19.641 -20.446 1.00 0.00 H new ATOM 0 HA LEU A 5 59.060 18.633 -19.086 1.00 0.00 H new ATOM 0 HB2 LEU A 5 60.100 18.607 -21.219 1.00 0.00 H new ATOM 0 HB3 LEU A 5 59.512 20.213 -21.599 1.00 0.00 H new ATOM 0 HG LEU A 5 61.003 20.396 -19.170 1.00 0.00 H new ATOM 0 HD11 LEU A 5 63.218 19.644 -19.923 1.00 0.00 H new ATOM 0 HD12 LEU A 5 62.072 18.292 -19.755 1.00 0.00 H new ATOM 0 HD13 LEU A 5 62.476 18.922 -21.370 1.00 0.00 H new ATOM 0 HD21 LEU A 5 62.402 21.919 -20.500 1.00 0.00 H new ATOM 0 HD22 LEU A 5 61.606 21.346 -21.985 1.00 0.00 H new ATOM 0 HD23 LEU A 5 60.665 22.215 -20.750 1.00 0.00 H new ATOM 99 N THR A 6 57.731 20.441 -17.851 1.00 0.00 N ATOM 100 CA THR A 6 57.372 21.541 -16.972 1.00 0.00 C ATOM 101 C THR A 6 58.165 21.461 -15.666 1.00 0.00 C ATOM 102 O THR A 6 57.612 21.127 -14.619 1.00 0.00 O ATOM 103 CB THR A 6 55.857 21.507 -16.766 1.00 0.00 C ATOM 104 OG1 THR A 6 55.610 20.215 -16.217 1.00 0.00 O ATOM 105 CG2 THR A 6 55.086 21.503 -18.087 1.00 0.00 C ATOM 0 H THR A 6 57.413 19.524 -17.538 1.00 0.00 H new ATOM 0 HA THR A 6 57.632 22.502 -17.415 1.00 0.00 H new ATOM 0 HB THR A 6 55.553 22.368 -16.171 1.00 0.00 H new ATOM 0 HG1 THR A 6 56.194 20.071 -15.443 1.00 0.00 H new ATOM 0 HG21 THR A 6 54.015 21.478 -17.883 1.00 0.00 H new ATOM 0 HG22 THR A 6 55.327 22.403 -18.652 1.00 0.00 H new ATOM 0 HG23 THR A 6 55.365 20.624 -18.668 1.00 0.00 H new ATOM 113 N LYS A 7 59.449 21.773 -15.770 1.00 0.00 N ATOM 114 CA LYS A 7 60.323 21.740 -14.610 1.00 0.00 C ATOM 115 C LYS A 7 59.850 22.777 -13.590 1.00 0.00 C ATOM 116 O LYS A 7 60.209 22.707 -12.416 1.00 0.00 O ATOM 117 CB LYS A 7 61.783 21.916 -15.034 1.00 0.00 C ATOM 118 CG LYS A 7 61.978 23.229 -15.795 1.00 0.00 C ATOM 119 CD LYS A 7 62.274 24.382 -14.833 1.00 0.00 C ATOM 120 CE LYS A 7 63.781 24.607 -14.695 1.00 0.00 C ATOM 121 NZ LYS A 7 64.296 23.931 -13.483 1.00 0.00 N ATOM 0 H LYS A 7 59.905 22.050 -16.640 1.00 0.00 H new ATOM 0 HA LYS A 7 60.272 20.767 -14.122 1.00 0.00 H new ATOM 0 HB2 LYS A 7 62.425 21.903 -14.153 1.00 0.00 H new ATOM 0 HB3 LYS A 7 62.086 21.079 -15.662 1.00 0.00 H new ATOM 0 HG2 LYS A 7 62.798 23.123 -16.505 1.00 0.00 H new ATOM 0 HG3 LYS A 7 61.082 23.454 -16.374 1.00 0.00 H new ATOM 0 HD2 LYS A 7 61.798 25.294 -15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 7 61.844 24.164 -13.855 1.00 0.00 H new ATOM 0 HE2 LYS A 7 64.294 24.225 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 7 63.992 25.675 -14.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 65.271 24.242 -13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 63.696 24.174 -12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 64.283 22.901 -13.628 1.00 0.00 H new ATOM 134 N ALA A 8 59.051 23.716 -14.076 1.00 0.00 N ATOM 135 CA ALA A 8 58.524 24.767 -13.222 1.00 0.00 C ATOM 136 C ALA A 8 57.162 24.337 -12.674 1.00 0.00 C ATOM 137 O ALA A 8 57.014 24.116 -11.473 1.00 0.00 O ATOM 138 CB ALA A 8 58.449 26.076 -14.009 1.00 0.00 C ATOM 0 H ALA A 8 58.756 23.771 -15.051 1.00 0.00 H new ATOM 0 HA ALA A 8 59.184 24.937 -12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 8 58.054 26.864 -13.368 1.00 0.00 H new ATOM 0 HB2 ALA A 8 59.446 26.353 -14.351 1.00 0.00 H new ATOM 0 HB3 ALA A 8 57.793 25.946 -14.870 1.00 0.00 H new ATOM 144 N GLU A 9 56.201 24.232 -13.580 1.00 0.00 N ATOM 145 CA GLU A 9 54.856 23.834 -13.202 1.00 0.00 C ATOM 146 C GLU A 9 54.251 24.854 -12.236 1.00 0.00 C ATOM 147 O GLU A 9 54.144 24.594 -11.039 1.00 0.00 O ATOM 148 CB GLU A 9 54.852 22.431 -12.591 1.00 0.00 C ATOM 149 CG GLU A 9 54.391 21.389 -13.613 1.00 0.00 C ATOM 150 CD GLU A 9 53.093 20.716 -13.162 1.00 0.00 C ATOM 151 OE1 GLU A 9 53.117 19.866 -12.260 1.00 0.00 O ATOM 152 OE2 GLU A 9 52.033 21.105 -13.785 1.00 0.00 O ATOM 0 H GLU A 9 56.327 24.416 -14.575 1.00 0.00 H new ATOM 0 HA GLU A 9 54.240 23.806 -14.101 1.00 0.00 H new ATOM 0 HB2 GLU A 9 55.853 22.181 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 9 54.193 22.410 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 9 54.240 21.866 -14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.168 20.636 -13.746 1.00 0.00 H new ATOM 160 N LYS A 10 53.872 25.995 -12.793 1.00 0.00 N ATOM 161 CA LYS A 10 53.281 27.057 -11.996 1.00 0.00 C ATOM 162 C LYS A 10 53.867 27.015 -10.584 1.00 0.00 C ATOM 163 O LYS A 10 53.142 26.805 -9.613 1.00 0.00 O ATOM 164 CB LYS A 10 51.754 26.966 -12.031 1.00 0.00 C ATOM 165 CG LYS A 10 51.271 26.351 -13.347 1.00 0.00 C ATOM 166 CD LYS A 10 49.747 26.428 -13.461 1.00 0.00 C ATOM 167 CE LYS A 10 49.075 25.919 -12.184 1.00 0.00 C ATOM 168 NZ LYS A 10 48.635 27.054 -11.343 1.00 0.00 N ATOM 0 H LYS A 10 53.963 26.207 -13.787 1.00 0.00 H new ATOM 0 HA LYS A 10 53.529 28.032 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 10 51.403 26.363 -11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 10 51.324 27.960 -11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 10 51.729 26.874 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 10 51.592 25.311 -13.406 1.00 0.00 H new ATOM 0 HD2 LYS A 10 49.444 27.458 -13.650 1.00 0.00 H new ATOM 0 HD3 LYS A 10 49.412 25.836 -14.313 1.00 0.00 H new ATOM 0 HE2 LYS A 10 48.219 25.295 -12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 10 49.770 25.292 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 47.870 26.742 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 49.436 27.395 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 48.290 27.823 -11.951 1.00 0.00 H new ATOM 181 N HIS A 11 55.174 27.218 -10.514 1.00 0.00 N ATOM 182 CA HIS A 11 55.866 27.207 -9.236 1.00 0.00 C ATOM 183 C HIS A 11 55.415 25.994 -8.419 1.00 0.00 C ATOM 184 O HIS A 11 54.481 26.090 -7.624 1.00 0.00 O ATOM 185 CB HIS A 11 55.662 28.530 -8.495 1.00 0.00 C ATOM 186 CG HIS A 11 56.600 29.629 -8.933 1.00 0.00 C ATOM 187 ND1 HIS A 11 57.236 30.473 -8.038 1.00 0.00 N ATOM 188 CD2 HIS A 11 57.004 30.014 -10.178 1.00 0.00 C ATOM 189 CE1 HIS A 11 57.985 31.323 -8.725 1.00 0.00 C ATOM 190 NE2 HIS A 11 57.840 31.037 -10.050 1.00 0.00 N ATOM 0 H HIS A 11 55.773 27.391 -11.322 1.00 0.00 H new ATOM 0 HA HIS A 11 56.939 27.112 -9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 11 54.635 28.863 -8.643 1.00 0.00 H new ATOM 0 HB3 HIS A 11 55.792 28.360 -7.426 1.00 0.00 H new ATOM 0 HD2 HIS A 11 56.696 29.563 -11.110 1.00 0.00 H new ATOM 0 HE1 HIS A 11 58.602 32.105 -8.308 1.00 0.00 H new ATOM 0 HE2 HIS A 11 58.299 31.528 -10.817 1.00 0.00 H new ATOM 198 N VAL A 12 56.099 24.882 -8.644 1.00 0.00 N ATOM 199 CA VAL A 12 55.781 23.652 -7.938 1.00 0.00 C ATOM 200 C VAL A 12 54.278 23.609 -7.651 1.00 0.00 C ATOM 201 O VAL A 12 53.834 24.035 -6.587 1.00 0.00 O ATOM 202 CB VAL A 12 56.634 23.538 -6.674 1.00 0.00 C ATOM 203 CG1 VAL A 12 58.124 23.634 -7.008 1.00 0.00 C ATOM 204 CG2 VAL A 12 56.234 24.596 -5.644 1.00 0.00 C ATOM 0 H VAL A 12 56.872 24.807 -9.305 1.00 0.00 H new ATOM 0 HA VAL A 12 56.020 22.785 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 12 56.451 22.557 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 12 58.708 23.550 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 12 58.397 22.827 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 12 58.329 24.593 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 12 56.856 24.492 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 56.373 25.590 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 12 55.187 24.461 -5.372 1.00 0.00 H new ATOM 214 N HIS A 13 53.538 23.089 -8.620 1.00 0.00 N ATOM 215 CA HIS A 13 52.095 22.985 -8.485 1.00 0.00 C ATOM 216 C HIS A 13 51.745 21.739 -7.667 1.00 0.00 C ATOM 217 O HIS A 13 51.007 20.873 -8.134 1.00 0.00 O ATOM 218 CB HIS A 13 51.418 23.003 -9.857 1.00 0.00 C ATOM 219 CG HIS A 13 49.919 23.177 -9.800 1.00 0.00 C ATOM 220 ND1 HIS A 13 49.316 24.370 -9.440 1.00 0.00 N ATOM 221 CD2 HIS A 13 48.909 22.298 -10.061 1.00 0.00 C ATOM 222 CE1 HIS A 13 48.003 24.204 -9.485 1.00 0.00 C ATOM 223 NE2 HIS A 13 47.752 22.920 -9.870 1.00 0.00 N ATOM 0 H HIS A 13 53.911 22.735 -9.501 1.00 0.00 H new ATOM 0 HA HIS A 13 51.713 23.851 -7.945 1.00 0.00 H new ATOM 0 HB2 HIS A 13 51.845 23.811 -10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 13 51.646 22.072 -10.375 1.00 0.00 H new ATOM 0 HD2 HIS A 13 49.030 21.270 -10.371 1.00 0.00 H new ATOM 0 HE1 HIS A 13 47.261 24.954 -9.257 1.00 0.00 H new ATOM 0 HE2 HIS A 13 46.828 22.506 -9.991 1.00 0.00 H new ATOM 231 N ASN A 14 52.293 21.689 -6.462 1.00 0.00 N ATOM 232 CA ASN A 14 52.048 20.564 -5.575 1.00 0.00 C ATOM 233 C ASN A 14 53.063 20.592 -4.431 1.00 0.00 C ATOM 234 O ASN A 14 54.049 19.857 -4.452 1.00 0.00 O ATOM 235 CB ASN A 14 52.206 19.235 -6.315 1.00 0.00 C ATOM 236 CG ASN A 14 50.844 18.602 -6.605 1.00 0.00 C ATOM 237 OD1 ASN A 14 50.254 18.076 -5.535 1.00 0.00 O flip ATOM 238 ND2 ASN A 14 50.360 18.593 -7.725 1.00 0.00 N flip ATOM 0 H ASN A 14 52.906 22.409 -6.079 1.00 0.00 H new ATOM 0 HA ASN A 14 51.029 20.648 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 14 52.742 19.397 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 14 52.808 18.551 -5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.867 19.015 -8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 14 49.448 18.163 -7.883 1.00 0.00 H new ATOM 245 N PHE A 15 52.787 21.448 -3.458 1.00 0.00 N ATOM 246 CA PHE A 15 53.664 21.582 -2.307 1.00 0.00 C ATOM 247 C PHE A 15 52.856 21.691 -1.012 1.00 0.00 C ATOM 248 O PHE A 15 51.793 22.309 -0.990 1.00 0.00 O ATOM 249 CB PHE A 15 54.466 22.869 -2.503 1.00 0.00 C ATOM 250 CG PHE A 15 55.755 22.931 -1.680 1.00 0.00 C ATOM 251 CD1 PHE A 15 56.706 21.971 -1.834 1.00 0.00 C ATOM 252 CD2 PHE A 15 55.949 23.945 -0.795 1.00 0.00 C ATOM 253 CE1 PHE A 15 57.902 22.028 -1.071 1.00 0.00 C ATOM 254 CE2 PHE A 15 57.145 24.002 -0.032 1.00 0.00 C ATOM 255 CZ PHE A 15 58.096 23.042 -0.185 1.00 0.00 C ATOM 0 H PHE A 15 51.968 22.056 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 15 54.310 20.708 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 15 54.716 22.972 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 15 53.838 23.720 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 15 56.551 21.165 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 15 55.193 24.707 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 15 58.658 21.266 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 15 57.300 24.808 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 15 59.005 23.085 0.397 1.00 0.00 H new ATOM 265 N MET A 16 53.392 21.081 0.035 1.00 0.00 N ATOM 266 CA MET A 16 52.734 21.101 1.330 1.00 0.00 C ATOM 267 C MET A 16 51.224 20.904 1.182 1.00 0.00 C ATOM 268 O MET A 16 50.438 21.722 1.658 1.00 0.00 O ATOM 269 CB MET A 16 53.009 22.438 2.022 1.00 0.00 C ATOM 270 CG MET A 16 54.458 22.516 2.508 1.00 0.00 C ATOM 271 SD MET A 16 54.587 23.679 3.856 1.00 0.00 S ATOM 272 CE MET A 16 55.788 24.811 3.174 1.00 0.00 C ATOM 0 H MET A 16 54.274 20.570 0.013 1.00 0.00 H new ATOM 0 HA MET A 16 53.131 20.282 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 16 52.809 23.257 1.331 1.00 0.00 H new ATOM 0 HB3 MET A 16 52.331 22.561 2.867 1.00 0.00 H new ATOM 0 HG2 MET A 16 54.795 21.532 2.833 1.00 0.00 H new ATOM 0 HG3 MET A 16 55.109 22.822 1.689 1.00 0.00 H new ATOM 0 HE1 MET A 16 55.987 25.607 3.892 1.00 0.00 H new ATOM 0 HE2 MET A 16 56.713 24.275 2.961 1.00 0.00 H new ATOM 0 HE3 MET A 16 55.398 25.243 2.252 1.00 0.00 H new ATOM 282 N MET A 17 50.864 19.815 0.519 1.00 0.00 N ATOM 283 CA MET A 17 49.462 19.500 0.302 1.00 0.00 C ATOM 284 C MET A 17 48.814 18.970 1.582 1.00 0.00 C ATOM 285 O MET A 17 47.639 19.225 1.839 1.00 0.00 O ATOM 286 CB MET A 17 49.340 18.451 -0.805 1.00 0.00 C ATOM 287 CG MET A 17 49.876 18.990 -2.133 1.00 0.00 C ATOM 288 SD MET A 17 48.536 19.200 -3.293 1.00 0.00 S ATOM 289 CE MET A 17 48.547 20.977 -3.462 1.00 0.00 C ATOM 0 H MET A 17 51.519 19.140 0.125 1.00 0.00 H new ATOM 0 HA MET A 17 48.945 20.413 0.008 1.00 0.00 H new ATOM 0 HB2 MET A 17 49.892 17.554 -0.523 1.00 0.00 H new ATOM 0 HB3 MET A 17 48.296 18.160 -0.921 1.00 0.00 H new ATOM 0 HG2 MET A 17 50.380 19.943 -1.971 1.00 0.00 H new ATOM 0 HG3 MET A 17 50.617 18.303 -2.541 1.00 0.00 H new ATOM 0 HE1 MET A 17 48.008 21.260 -4.366 1.00 0.00 H new ATOM 0 HE2 MET A 17 48.063 21.428 -2.595 1.00 0.00 H new ATOM 0 HE3 MET A 17 49.576 21.330 -3.528 1.00 0.00 H new ATOM 299 N ASP A 18 49.610 18.242 2.352 1.00 0.00 N ATOM 300 CA ASP A 18 49.129 17.673 3.600 1.00 0.00 C ATOM 301 C ASP A 18 47.970 16.718 3.306 1.00 0.00 C ATOM 302 O ASP A 18 46.940 17.130 2.775 1.00 0.00 O ATOM 303 CB ASP A 18 48.614 18.765 4.540 1.00 0.00 C ATOM 304 CG ASP A 18 47.604 18.293 5.588 1.00 0.00 C ATOM 305 OD1 ASP A 18 46.406 18.152 5.301 1.00 0.00 O ATOM 306 OD2 ASP A 18 48.098 18.062 6.757 1.00 0.00 O ATOM 0 H ASP A 18 50.585 18.033 2.136 1.00 0.00 H new ATOM 0 HA ASP A 18 49.959 17.150 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 18 49.465 19.213 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 18 48.153 19.551 3.942 1.00 0.00 H new ATOM 312 N THR A 19 48.178 15.459 3.666 1.00 0.00 N ATOM 313 CA THR A 19 47.164 14.442 3.448 1.00 0.00 C ATOM 314 C THR A 19 46.431 14.693 2.128 1.00 0.00 C ATOM 315 O THR A 19 45.215 14.878 2.115 1.00 0.00 O ATOM 316 CB THR A 19 46.237 14.430 4.665 1.00 0.00 C ATOM 317 OG1 THR A 19 46.982 15.103 5.675 1.00 0.00 O ATOM 318 CG2 THR A 19 46.030 13.023 5.229 1.00 0.00 C ATOM 0 H THR A 19 49.033 15.121 4.107 1.00 0.00 H new ATOM 0 HA THR A 19 47.611 13.452 3.352 1.00 0.00 H new ATOM 0 HB THR A 19 45.272 14.856 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 19 46.454 15.142 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 19 45.365 13.071 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 19 45.587 12.386 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 19 46.991 12.609 5.535 1.00 0.00 H new ATOM 326 N GLN A 20 47.202 14.691 1.050 1.00 0.00 N ATOM 327 CA GLN A 20 46.642 14.917 -0.271 1.00 0.00 C ATOM 328 C GLN A 20 47.723 14.753 -1.341 1.00 0.00 C ATOM 329 O GLN A 20 47.462 14.213 -2.415 1.00 0.00 O ATOM 330 CB GLN A 20 45.986 16.296 -0.360 1.00 0.00 C ATOM 331 CG GLN A 20 44.608 16.206 -1.019 1.00 0.00 C ATOM 332 CD GLN A 20 44.421 17.319 -2.053 1.00 0.00 C ATOM 333 OE1 GLN A 20 45.032 17.330 -3.109 1.00 0.00 O ATOM 334 NE2 GLN A 20 43.544 18.252 -1.691 1.00 0.00 N ATOM 0 H GLN A 20 48.210 14.536 1.065 1.00 0.00 H new ATOM 0 HA GLN A 20 45.867 14.171 -0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 20 45.888 16.721 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 20 46.624 16.970 -0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 20 44.494 15.235 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 20 43.831 16.278 -0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 20 43.067 18.182 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 20 43.349 19.037 -2.312 1.00 0.00 H new ATOM 343 N LEU A 21 48.914 15.230 -1.011 1.00 0.00 N ATOM 344 CA LEU A 21 50.036 15.144 -1.930 1.00 0.00 C ATOM 345 C LEU A 21 50.012 13.784 -2.631 1.00 0.00 C ATOM 346 O LEU A 21 49.881 13.713 -3.852 1.00 0.00 O ATOM 347 CB LEU A 21 51.349 15.437 -1.202 1.00 0.00 C ATOM 348 CG LEU A 21 51.474 14.867 0.212 1.00 0.00 C ATOM 349 CD1 LEU A 21 52.482 13.718 0.253 1.00 0.00 C ATOM 350 CD2 LEU A 21 51.818 15.968 1.218 1.00 0.00 C ATOM 0 H LEU A 21 49.127 15.678 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 21 49.952 15.905 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 21 52.170 15.046 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 21 51.479 16.518 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 21 50.507 14.456 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 21 52.552 13.331 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 21 52.154 12.923 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 21 53.460 14.080 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 21 51.901 15.536 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 21 52.766 16.430 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 21 51.032 16.723 1.214 1.00 0.00 H new ATOM 362 N THR A 22 50.140 12.738 -1.828 1.00 0.00 N ATOM 363 CA THR A 22 50.135 11.384 -2.356 1.00 0.00 C ATOM 364 C THR A 22 49.312 10.463 -1.453 1.00 0.00 C ATOM 365 O THR A 22 49.691 10.207 -0.311 1.00 0.00 O ATOM 366 CB THR A 22 51.588 10.935 -2.520 1.00 0.00 C ATOM 367 OG1 THR A 22 51.863 11.148 -3.901 1.00 0.00 O ATOM 368 CG2 THR A 22 51.759 9.426 -2.334 1.00 0.00 C ATOM 0 H THR A 22 50.248 12.801 -0.816 1.00 0.00 H new ATOM 0 HA THR A 22 49.655 11.342 -3.334 1.00 0.00 H new ATOM 0 HB THR A 22 52.214 11.462 -1.801 1.00 0.00 H new ATOM 0 HG1 THR A 22 52.787 10.884 -4.095 1.00 0.00 H new ATOM 0 HG21 THR A 22 52.809 9.160 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 22 51.431 9.143 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 22 51.159 8.898 -3.075 1.00 0.00 H new ATOM 376 N LYS A 23 48.201 9.990 -1.998 1.00 0.00 N ATOM 377 CA LYS A 23 47.322 9.103 -1.256 1.00 0.00 C ATOM 378 C LYS A 23 47.236 9.575 0.197 1.00 0.00 C ATOM 379 O LYS A 23 47.224 10.775 0.463 1.00 0.00 O ATOM 380 CB LYS A 23 47.778 7.650 -1.405 1.00 0.00 C ATOM 381 CG LYS A 23 46.589 6.691 -1.319 1.00 0.00 C ATOM 382 CD LYS A 23 45.760 6.728 -2.604 1.00 0.00 C ATOM 383 CE LYS A 23 44.854 5.500 -2.708 1.00 0.00 C ATOM 384 NZ LYS A 23 43.529 5.878 -3.250 1.00 0.00 N ATOM 0 H LYS A 23 47.889 10.205 -2.945 1.00 0.00 H new ATOM 0 HA LYS A 23 46.312 9.139 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 23 48.286 7.521 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.501 7.410 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 23 46.947 5.677 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 23 45.961 6.960 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 23 45.154 7.634 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 23 46.423 6.769 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 23 45.317 4.752 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.735 5.044 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 42.926 5.033 -3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.082 6.575 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 43.646 6.292 -4.197 1.00 0.00 H new ATOM 397 N ARG A 24 47.179 8.605 1.098 1.00 0.00 N ATOM 398 CA ARG A 24 47.094 8.907 2.517 1.00 0.00 C ATOM 399 C ARG A 24 48.151 8.117 3.291 1.00 0.00 C ATOM 400 O ARG A 24 49.309 8.055 2.881 1.00 0.00 O ATOM 401 CB ARG A 24 45.708 8.569 3.070 1.00 0.00 C ATOM 402 CG ARG A 24 44.606 9.100 2.150 1.00 0.00 C ATOM 403 CD ARG A 24 43.934 10.334 2.755 1.00 0.00 C ATOM 404 NE ARG A 24 42.463 10.209 2.655 1.00 0.00 N ATOM 405 CZ ARG A 24 41.744 10.584 1.575 1.00 0.00 C ATOM 406 NH1 ARG A 24 42.356 11.110 0.493 1.00 0.00 N ATOM 407 NH2 ARG A 24 40.433 10.427 1.593 1.00 0.00 N ATOM 0 H ARG A 24 47.190 7.610 0.873 1.00 0.00 H new ATOM 0 HA ARG A 24 47.271 9.975 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 24 45.609 7.489 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 24 45.595 8.999 4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 24 45.029 9.352 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 43.862 8.322 1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 24 44.228 10.443 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 24 44.267 11.232 2.234 1.00 0.00 H new ATOM 0 HE ARG A 24 41.961 9.815 3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 24 43.369 11.227 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 24 41.805 11.391 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 24 39.978 10.028 2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 24 39.875 10.705 0.786 1.00 0.00 H new ATOM 420 N VAL A 25 47.715 7.533 4.398 1.00 0.00 N ATOM 421 CA VAL A 25 48.609 6.750 5.233 1.00 0.00 C ATOM 422 C VAL A 25 48.690 5.323 4.688 1.00 0.00 C ATOM 423 O VAL A 25 48.536 4.359 5.436 1.00 0.00 O ATOM 424 CB VAL A 25 48.148 6.808 6.691 1.00 0.00 C ATOM 425 CG1 VAL A 25 46.724 6.268 6.837 1.00 0.00 C ATOM 426 CG2 VAL A 25 49.117 6.053 7.603 1.00 0.00 C ATOM 0 H VAL A 25 46.754 7.587 4.736 1.00 0.00 H new ATOM 0 HA VAL A 25 49.617 7.165 5.208 1.00 0.00 H new ATOM 0 HB VAL A 25 48.143 7.853 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 25 46.420 6.320 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 25 46.044 6.867 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 25 46.692 5.232 6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 25 48.766 6.110 8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 25 49.168 5.009 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 25 50.108 6.502 7.532 1.00 0.00 H new ATOM 436 N LYS A 26 48.932 5.233 3.388 1.00 0.00 N ATOM 437 CA LYS A 26 49.036 3.940 2.734 1.00 0.00 C ATOM 438 C LYS A 26 47.647 3.304 2.648 1.00 0.00 C ATOM 439 O LYS A 26 47.523 2.108 2.388 1.00 0.00 O ATOM 440 CB LYS A 26 50.071 3.063 3.441 1.00 0.00 C ATOM 441 CG LYS A 26 51.427 3.767 3.515 1.00 0.00 C ATOM 442 CD LYS A 26 51.436 4.827 4.618 1.00 0.00 C ATOM 443 CE LYS A 26 52.858 5.085 5.120 1.00 0.00 C ATOM 444 NZ LYS A 26 52.863 6.170 6.127 1.00 0.00 N ATOM 0 H LYS A 26 49.059 6.035 2.770 1.00 0.00 H new ATOM 0 HA LYS A 26 49.397 4.058 1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 26 49.725 2.825 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 26 50.177 2.118 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 26 52.211 3.034 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 26 51.651 4.234 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 26 51.007 5.754 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 26 50.808 4.500 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 26 53.267 4.174 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 26 53.502 5.354 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 53.836 6.332 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 52.492 7.042 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 52.264 5.898 6.933 1.00 0.00 H new ATOM 457 N ASN A 27 46.637 4.132 2.872 1.00 0.00 N ATOM 458 CA ASN A 27 45.262 3.666 2.823 1.00 0.00 C ATOM 459 C ASN A 27 45.057 2.583 3.884 1.00 0.00 C ATOM 460 O ASN A 27 44.589 1.488 3.577 1.00 0.00 O ATOM 461 CB ASN A 27 44.935 3.057 1.458 1.00 0.00 C ATOM 462 CG ASN A 27 43.427 2.852 1.296 1.00 0.00 C ATOM 463 OD1 ASN A 27 42.926 3.378 0.181 1.00 0.00 O flip ATOM 464 ND2 ASN A 27 42.763 2.256 2.127 1.00 0.00 N flip ATOM 0 H ASN A 27 46.744 5.123 3.088 1.00 0.00 H new ATOM 0 HA ASN A 27 44.610 4.521 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 27 45.304 3.710 0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 27 45.449 2.102 1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 27 43.211 1.877 2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 27 41.760 2.137 1.988 1.00 0.00 H new ATOM 471 N ALA A 28 45.418 2.927 5.112 1.00 0.00 N ATOM 472 CA ALA A 28 45.280 1.998 6.221 1.00 0.00 C ATOM 473 C ALA A 28 43.855 2.079 6.773 1.00 0.00 C ATOM 474 O ALA A 28 43.417 1.190 7.502 1.00 0.00 O ATOM 475 CB ALA A 28 46.336 2.310 7.283 1.00 0.00 C ATOM 0 H ALA A 28 45.806 3.836 5.363 1.00 0.00 H new ATOM 0 HA ALA A 28 45.447 0.974 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.232 1.613 8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 28 47.330 2.210 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.199 3.329 7.644 1.00 0.00 H new ATOM 481 N ALA A 29 43.172 3.153 6.406 1.00 0.00 N ATOM 482 CA ALA A 29 41.806 3.361 6.855 1.00 0.00 C ATOM 483 C ALA A 29 41.261 4.650 6.237 1.00 0.00 C ATOM 484 O ALA A 29 40.519 5.388 6.883 1.00 0.00 O ATOM 485 CB ALA A 29 41.771 3.388 8.385 1.00 0.00 C ATOM 0 H ALA A 29 43.539 3.889 5.803 1.00 0.00 H new ATOM 0 HA ALA A 29 41.165 2.542 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.746 3.544 8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.141 2.439 8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 29 42.401 4.200 8.749 1.00 0.00 H new ATOM 491 N ALA A 30 41.650 4.882 4.992 1.00 0.00 N ATOM 492 CA ALA A 30 41.210 6.069 4.279 1.00 0.00 C ATOM 493 C ALA A 30 39.683 6.062 4.179 1.00 0.00 C ATOM 494 O ALA A 30 39.066 7.105 3.971 1.00 0.00 O ATOM 495 CB ALA A 30 41.883 6.119 2.905 1.00 0.00 C ATOM 0 H ALA A 30 42.265 4.268 4.459 1.00 0.00 H new ATOM 0 HA ALA A 30 41.502 6.970 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.553 7.010 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.965 6.152 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.611 5.231 2.334 1.00 0.00 H new ATOM 501 N ASN A 31 39.117 4.873 4.333 1.00 0.00 N ATOM 502 CA ASN A 31 37.675 4.717 4.263 1.00 0.00 C ATOM 503 C ASN A 31 37.036 5.357 5.498 1.00 0.00 C ATOM 504 O ASN A 31 35.973 5.969 5.404 1.00 0.00 O ATOM 505 CB ASN A 31 37.282 3.238 4.241 1.00 0.00 C ATOM 506 CG ASN A 31 37.844 2.540 3.002 1.00 0.00 C ATOM 507 OD1 ASN A 31 37.355 2.694 1.895 1.00 0.00 O ATOM 508 ND2 ASN A 31 38.897 1.766 3.248 1.00 0.00 N ATOM 0 H ASN A 31 39.632 4.010 4.506 1.00 0.00 H new ATOM 0 HA ASN A 31 37.328 5.197 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.653 2.746 5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.196 3.146 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 31 39.345 1.257 2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.257 1.681 4.199 1.00 0.00 H new ATOM 515 N VAL A 32 37.712 5.194 6.626 1.00 0.00 N ATOM 516 CA VAL A 32 37.224 5.748 7.877 1.00 0.00 C ATOM 517 C VAL A 32 37.565 7.239 7.937 1.00 0.00 C ATOM 518 O VAL A 32 37.097 7.951 8.823 1.00 0.00 O ATOM 519 CB VAL A 32 37.793 4.958 9.057 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.507 5.668 10.382 1.00 0.00 C ATOM 521 CG2 VAL A 32 37.247 3.528 9.073 1.00 0.00 C ATOM 0 H VAL A 32 38.594 4.686 6.699 1.00 0.00 H new ATOM 0 HA VAL A 32 36.139 5.659 7.936 1.00 0.00 H new ATOM 0 HB VAL A 32 38.875 4.903 8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 32 37.922 5.085 11.204 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.965 6.657 10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.430 5.768 10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 32 37.667 2.988 9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 32 36.161 3.554 9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 32 37.524 3.022 8.148 1.00 0.00 H new ATOM 531 N LEU A 33 38.377 7.666 6.981 1.00 0.00 N ATOM 532 CA LEU A 33 38.785 9.059 6.913 1.00 0.00 C ATOM 533 C LEU A 33 37.549 9.940 6.722 1.00 0.00 C ATOM 534 O LEU A 33 37.529 11.091 7.156 1.00 0.00 O ATOM 535 CB LEU A 33 39.852 9.253 5.834 1.00 0.00 C ATOM 536 CG LEU A 33 40.705 10.518 5.953 1.00 0.00 C ATOM 537 CD1 LEU A 33 39.884 11.765 5.621 1.00 0.00 C ATOM 538 CD2 LEU A 33 41.357 10.611 7.333 1.00 0.00 C ATOM 0 H LEU A 33 38.763 7.072 6.247 1.00 0.00 H new ATOM 0 HA LEU A 33 39.252 9.365 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.516 8.389 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 33 39.360 9.261 4.862 1.00 0.00 H new ATOM 0 HG LEU A 33 41.510 10.458 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 33 40.513 12.650 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.508 11.692 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 33 39.045 11.843 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 33 41.958 11.519 7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 33 40.583 10.638 8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 33 41.996 9.742 7.493 1.00 0.00 H new ATOM 550 N ARG A 34 36.548 9.366 6.071 1.00 0.00 N ATOM 551 CA ARG A 34 35.311 10.085 5.817 1.00 0.00 C ATOM 552 C ARG A 34 34.148 9.417 6.553 1.00 0.00 C ATOM 553 O ARG A 34 33.151 10.067 6.865 1.00 0.00 O ATOM 554 CB ARG A 34 34.998 10.131 4.320 1.00 0.00 C ATOM 555 CG ARG A 34 36.225 10.569 3.517 1.00 0.00 C ATOM 556 CD ARG A 34 35.829 11.524 2.389 1.00 0.00 C ATOM 557 NE ARG A 34 36.805 12.633 2.299 1.00 0.00 N ATOM 558 CZ ARG A 34 36.521 13.853 1.796 1.00 0.00 C ATOM 559 NH1 ARG A 34 35.283 14.132 1.334 1.00 0.00 N ATOM 560 NH2 ARG A 34 37.470 14.769 1.763 1.00 0.00 N ATOM 0 H ARG A 34 36.568 8.412 5.712 1.00 0.00 H new ATOM 0 HA ARG A 34 35.439 11.104 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.670 9.148 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 34 34.174 10.821 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 34 36.941 11.058 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 34 36.722 9.694 3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 34 35.790 10.985 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 34 34.830 11.921 2.571 1.00 0.00 H new ATOM 0 HE ARG A 34 37.752 12.465 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 34 34.555 13.418 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 34 35.076 15.056 0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 34 38.402 14.550 2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 34 37.271 15.696 1.386 1.00 0.00 H new ATOM 573 N GLU A 35 34.314 8.128 6.810 1.00 0.00 N ATOM 574 CA GLU A 35 33.291 7.365 7.504 1.00 0.00 C ATOM 575 C GLU A 35 32.000 7.340 6.684 1.00 0.00 C ATOM 576 O GLU A 35 30.906 7.436 7.238 1.00 0.00 O ATOM 577 CB GLU A 35 33.040 7.930 8.904 1.00 0.00 C ATOM 578 CG GLU A 35 34.224 7.645 9.831 1.00 0.00 C ATOM 579 CD GLU A 35 33.837 6.645 10.922 1.00 0.00 C ATOM 580 OE1 GLU A 35 33.479 5.499 10.615 1.00 0.00 O ATOM 581 OE2 GLU A 35 33.919 7.096 12.128 1.00 0.00 O ATOM 0 H GLU A 35 35.142 7.593 6.550 1.00 0.00 H new ATOM 0 HA GLU A 35 33.645 6.341 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.873 9.005 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.134 7.490 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.058 7.251 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 35 34.564 8.574 10.288 1.00 0.00 H new ATOM 589 N THR A 36 32.169 7.211 5.376 1.00 0.00 N ATOM 590 CA THR A 36 31.031 7.172 4.474 1.00 0.00 C ATOM 591 C THR A 36 30.857 5.766 3.896 1.00 0.00 C ATOM 592 O THR A 36 30.460 5.610 2.742 1.00 0.00 O ATOM 593 CB THR A 36 31.238 8.247 3.405 1.00 0.00 C ATOM 594 OG1 THR A 36 32.450 8.891 3.791 1.00 0.00 O ATOM 595 CG2 THR A 36 30.187 9.356 3.479 1.00 0.00 C ATOM 0 H THR A 36 33.078 7.132 4.919 1.00 0.00 H new ATOM 0 HA THR A 36 30.102 7.391 5.000 1.00 0.00 H new ATOM 0 HB THR A 36 31.211 7.787 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 36 32.252 9.797 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.380 10.093 2.699 1.00 0.00 H new ATOM 0 HG22 THR A 36 29.195 8.927 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 36 30.236 9.839 4.455 1.00 0.00 H new ATOM 603 N TRP A 37 31.163 4.778 4.724 1.00 0.00 N ATOM 604 CA TRP A 37 31.045 3.390 4.309 1.00 0.00 C ATOM 605 C TRP A 37 30.553 2.579 5.509 1.00 0.00 C ATOM 606 O TRP A 37 30.557 1.349 5.475 1.00 0.00 O ATOM 607 CB TRP A 37 32.368 2.874 3.740 1.00 0.00 C ATOM 608 CG TRP A 37 33.315 3.978 3.267 1.00 0.00 C ATOM 609 CD1 TRP A 37 34.258 4.616 3.975 1.00 0.00 C ATOM 610 CD2 TRP A 37 33.374 4.553 1.944 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.917 5.556 3.208 1.00 0.00 N ATOM 612 CE2 TRP A 37 34.362 5.516 1.934 1.00 0.00 C ATOM 613 CE3 TRP A 37 32.617 4.268 0.794 1.00 0.00 C ATOM 614 CZ2 TRP A 37 34.684 6.271 0.801 1.00 0.00 C ATOM 615 CZ3 TRP A 37 32.951 5.032 -0.330 1.00 0.00 C ATOM 616 CH2 TRP A 37 33.943 6.005 -0.357 1.00 0.00 C ATOM 0 H TRP A 37 31.492 4.911 5.680 1.00 0.00 H new ATOM 0 HA TRP A 37 30.322 3.289 3.500 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.872 2.279 4.502 1.00 0.00 H new ATOM 0 HB3 TRP A 37 32.157 2.208 2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.475 4.419 5.015 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.672 6.167 3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 37 31.839 3.519 0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.463 7.019 0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 32.399 4.853 -1.241 1.00 0.00 H new ATOM 0 HH2 TRP A 37 34.141 6.553 -1.266 1.00 0.00 H new ATOM 627 N LEU A 38 30.141 3.299 6.542 1.00 0.00 N ATOM 628 CA LEU A 38 29.647 2.661 7.750 1.00 0.00 C ATOM 629 C LEU A 38 28.456 3.455 8.291 1.00 0.00 C ATOM 630 O LEU A 38 27.875 3.091 9.312 1.00 0.00 O ATOM 631 CB LEU A 38 30.780 2.485 8.764 1.00 0.00 C ATOM 632 CG LEU A 38 31.841 3.586 8.783 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.772 3.472 7.573 1.00 0.00 C ATOM 634 CD2 LEU A 38 31.195 4.970 8.879 1.00 0.00 C ATOM 0 H LEU A 38 30.139 4.319 6.567 1.00 0.00 H new ATOM 0 HA LEU A 38 29.287 1.656 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.342 2.413 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.275 1.535 8.564 1.00 0.00 H new ATOM 0 HG LEU A 38 32.453 3.454 9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.517 4.267 7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.273 2.504 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.190 3.564 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 38 31.972 5.734 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.544 5.128 8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.608 5.035 9.795 1.00 0.00 H new ATOM 646 N ILE A 39 28.129 4.526 7.582 1.00 0.00 N ATOM 647 CA ILE A 39 27.018 5.375 7.978 1.00 0.00 C ATOM 648 C ILE A 39 25.825 5.107 7.059 1.00 0.00 C ATOM 649 O ILE A 39 24.701 4.934 7.529 1.00 0.00 O ATOM 650 CB ILE A 39 27.451 6.842 8.013 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.107 7.252 6.693 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.357 7.118 9.214 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.498 8.731 6.711 1.00 0.00 C ATOM 0 H ILE A 39 28.614 4.825 6.736 1.00 0.00 H new ATOM 0 HA ILE A 39 26.699 5.137 8.993 1.00 0.00 H new ATOM 0 HB ILE A 39 26.560 7.458 8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 39 28.992 6.640 6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.420 7.064 5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.650 8.168 9.215 1.00 0.00 H new ATOM 0 HG22 ILE A 39 27.820 6.890 10.135 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.247 6.493 9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.962 8.996 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.607 9.341 6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 39 29.203 8.911 7.522 1.00 0.00 H new ATOM 665 N TYR A 40 26.109 5.081 5.765 1.00 0.00 N ATOM 666 CA TYR A 40 25.073 4.837 4.776 1.00 0.00 C ATOM 667 C TYR A 40 23.968 5.891 4.869 1.00 0.00 C ATOM 668 O TYR A 40 23.086 5.797 5.721 1.00 0.00 O ATOM 669 CB TYR A 40 24.484 3.466 5.112 1.00 0.00 C ATOM 670 CG TYR A 40 25.531 2.409 5.470 1.00 0.00 C ATOM 671 CD1 TYR A 40 26.274 1.808 4.473 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.733 2.057 6.789 1.00 0.00 C ATOM 673 CE1 TYR A 40 27.259 0.814 4.811 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.718 1.063 7.126 1.00 0.00 C ATOM 675 CZ TYR A 40 27.433 0.490 6.120 1.00 0.00 C ATOM 676 OH TYR A 40 28.364 -0.449 6.438 1.00 0.00 O ATOM 0 H TYR A 40 27.042 5.225 5.379 1.00 0.00 H new ATOM 0 HA TYR A 40 25.486 4.878 3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 40 23.792 3.574 5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 40 23.903 3.113 4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.116 2.083 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 40 25.152 2.527 7.568 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.847 0.336 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 40 26.886 0.778 8.154 1.00 0.00 H new ATOM 0 HH TYR A 40 29.257 -0.113 6.214 1.00 0.00 H new ATOM 686 N LYS A 41 24.052 6.870 3.979 1.00 0.00 N ATOM 687 CA LYS A 41 23.069 7.940 3.950 1.00 0.00 C ATOM 688 C LYS A 41 21.672 7.350 4.151 1.00 0.00 C ATOM 689 O LYS A 41 20.838 7.938 4.837 1.00 0.00 O ATOM 690 CB LYS A 41 23.211 8.763 2.668 1.00 0.00 C ATOM 691 CG LYS A 41 23.472 7.858 1.462 1.00 0.00 C ATOM 692 CD LYS A 41 24.937 7.931 1.029 1.00 0.00 C ATOM 693 CE LYS A 41 25.129 8.961 -0.086 1.00 0.00 C ATOM 694 NZ LYS A 41 26.504 9.507 -0.056 1.00 0.00 N ATOM 0 H LYS A 41 24.785 6.944 3.274 1.00 0.00 H new ATOM 0 HA LYS A 41 23.241 8.637 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.304 9.344 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 41 24.029 9.475 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.214 6.829 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.829 8.155 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.560 8.195 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 41 25.267 6.951 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.936 8.498 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.408 9.770 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.617 10.204 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.675 9.966 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.187 8.734 -0.189 1.00 0.00 H new ATOM 707 N ASN A 42 21.460 6.194 3.539 1.00 0.00 N ATOM 708 CA ASN A 42 20.178 5.517 3.641 1.00 0.00 C ATOM 709 C ASN A 42 20.374 4.021 3.386 1.00 0.00 C ATOM 710 O ASN A 42 20.285 3.214 4.310 1.00 0.00 O ATOM 711 CB ASN A 42 19.190 6.049 2.601 1.00 0.00 C ATOM 712 CG ASN A 42 17.891 6.512 3.265 1.00 0.00 C ATOM 713 OD1 ASN A 42 17.419 5.938 4.232 1.00 0.00 O ATOM 714 ND2 ASN A 42 17.343 7.580 2.693 1.00 0.00 N ATOM 0 H ASN A 42 22.154 5.709 2.971 1.00 0.00 H new ATOM 0 HA ASN A 42 19.781 5.696 4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 42 19.641 6.879 2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.972 5.270 1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.474 7.967 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.791 8.012 1.885 1.00 0.00 H new ATOM 721 N THR A 43 20.636 3.697 2.129 1.00 0.00 N ATOM 722 CA THR A 43 20.845 2.313 1.741 1.00 0.00 C ATOM 723 C THR A 43 22.278 2.109 1.245 1.00 0.00 C ATOM 724 O THR A 43 23.013 3.074 1.045 1.00 0.00 O ATOM 725 CB THR A 43 19.785 1.948 0.700 1.00 0.00 C ATOM 726 OG1 THR A 43 19.981 0.554 0.478 1.00 0.00 O ATOM 727 CG2 THR A 43 20.059 2.585 -0.664 1.00 0.00 C ATOM 0 H THR A 43 20.708 4.370 1.366 1.00 0.00 H new ATOM 0 HA THR A 43 20.730 1.642 2.592 1.00 0.00 H new ATOM 0 HB THR A 43 18.804 2.262 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 43 19.333 0.234 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 43 19.277 2.294 -1.365 1.00 0.00 H new ATOM 0 HG22 THR A 43 20.070 3.670 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.025 2.245 -1.037 1.00 0.00 H new ATOM 735 N LYS A 44 22.632 0.845 1.062 1.00 0.00 N ATOM 736 CA LYS A 44 23.964 0.502 0.593 1.00 0.00 C ATOM 737 C LYS A 44 23.919 0.244 -0.914 1.00 0.00 C ATOM 738 O LYS A 44 23.420 -0.790 -1.356 1.00 0.00 O ATOM 739 CB LYS A 44 24.531 -0.668 1.401 1.00 0.00 C ATOM 740 CG LYS A 44 23.813 -1.973 1.052 1.00 0.00 C ATOM 741 CD LYS A 44 24.009 -3.017 2.154 1.00 0.00 C ATOM 742 CE LYS A 44 22.953 -2.861 3.250 1.00 0.00 C ATOM 743 NZ LYS A 44 23.594 -2.792 4.582 1.00 0.00 N ATOM 0 H LYS A 44 22.020 0.047 1.230 1.00 0.00 H new ATOM 0 HA LYS A 44 24.651 1.333 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.597 -0.770 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 44 24.425 -0.464 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.749 -1.781 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 44 24.194 -2.360 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.950 -4.018 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 44 25.005 -2.913 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 44 22.369 -1.958 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 44 22.259 -3.701 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 23.130 -2.057 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.501 -3.711 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 24.602 -2.560 4.471 1.00 0.00 H new ATOM 756 N LEU A 45 24.448 1.202 -1.662 1.00 0.00 N ATOM 757 CA LEU A 45 24.474 1.091 -3.111 1.00 0.00 C ATOM 758 C LEU A 45 25.640 0.192 -3.528 1.00 0.00 C ATOM 759 O LEU A 45 26.487 0.598 -4.322 1.00 0.00 O ATOM 760 CB LEU A 45 24.507 2.479 -3.753 1.00 0.00 C ATOM 761 CG LEU A 45 25.787 3.289 -3.535 1.00 0.00 C ATOM 762 CD1 LEU A 45 26.541 3.488 -4.852 1.00 0.00 C ATOM 763 CD2 LEU A 45 25.483 4.619 -2.842 1.00 0.00 C ATOM 0 H LEU A 45 24.862 2.058 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 45 23.561 0.619 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 45 24.351 2.365 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 45 23.666 3.056 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 45 26.441 2.723 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 45 27.446 4.067 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 45 26.809 2.517 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 45 25.905 4.023 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 45 26.410 5.175 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 45 24.801 5.203 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 45 25.022 4.427 -1.873 1.00 0.00 H new ATOM 775 N VAL A 46 25.645 -1.011 -2.974 1.00 0.00 N ATOM 776 CA VAL A 46 26.693 -1.971 -3.279 1.00 0.00 C ATOM 777 C VAL A 46 26.095 -3.378 -3.316 1.00 0.00 C ATOM 778 O VAL A 46 26.351 -4.141 -4.247 1.00 0.00 O ATOM 779 CB VAL A 46 27.837 -1.834 -2.272 1.00 0.00 C ATOM 780 CG1 VAL A 46 27.364 -2.172 -0.856 1.00 0.00 C ATOM 781 CG2 VAL A 46 29.029 -2.704 -2.675 1.00 0.00 C ATOM 0 H VAL A 46 24.940 -1.343 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 46 27.118 -1.773 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 46 28.165 -0.795 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 46 28.196 -2.067 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.562 -1.492 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.997 -3.198 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 46 29.828 -2.588 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 28.721 -3.749 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 46 29.389 -2.396 -3.657 1.00 0.00 H new ATOM 791 N LYS A 47 25.308 -3.680 -2.293 1.00 0.00 N ATOM 792 CA LYS A 47 24.671 -4.982 -2.198 1.00 0.00 C ATOM 793 C LYS A 47 23.245 -4.810 -1.671 1.00 0.00 C ATOM 794 O LYS A 47 22.947 -3.834 -0.984 1.00 0.00 O ATOM 795 CB LYS A 47 25.525 -5.936 -1.360 1.00 0.00 C ATOM 796 CG LYS A 47 26.099 -7.061 -2.225 1.00 0.00 C ATOM 797 CD LYS A 47 27.491 -6.696 -2.745 1.00 0.00 C ATOM 798 CE LYS A 47 28.403 -7.925 -2.779 1.00 0.00 C ATOM 799 NZ LYS A 47 29.582 -7.719 -1.909 1.00 0.00 N ATOM 0 H LYS A 47 25.097 -3.045 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 47 24.594 -5.441 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 47 26.338 -5.384 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.922 -6.361 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 47 26.154 -7.981 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.432 -7.255 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 47 27.410 -6.271 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.932 -5.929 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 27.850 -8.805 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.727 -8.116 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 30.190 -8.562 -1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 30.118 -6.892 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 29.268 -7.559 -0.931 1.00 0.00 H new ATOM 812 N LYS A 48 22.402 -5.773 -2.012 1.00 0.00 N ATOM 813 CA LYS A 48 21.015 -5.741 -1.582 1.00 0.00 C ATOM 814 C LYS A 48 20.960 -5.594 -0.060 1.00 0.00 C ATOM 815 O LYS A 48 21.936 -5.886 0.630 1.00 0.00 O ATOM 816 CB LYS A 48 20.261 -6.964 -2.110 1.00 0.00 C ATOM 817 CG LYS A 48 20.522 -7.166 -3.604 1.00 0.00 C ATOM 818 CD LYS A 48 19.525 -8.159 -4.205 1.00 0.00 C ATOM 819 CE LYS A 48 18.244 -7.449 -4.648 1.00 0.00 C ATOM 820 NZ LYS A 48 17.101 -7.869 -3.806 1.00 0.00 N ATOM 0 H LYS A 48 22.653 -6.581 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 48 20.506 -4.875 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.571 -7.852 -1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.192 -6.839 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.446 -6.210 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.538 -7.530 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.979 -8.664 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.284 -8.927 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.377 -6.369 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.037 -7.678 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.240 -7.378 -4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.965 -8.896 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.294 -7.628 -2.813 1.00 0.00 H new ATOM 833 N ILE A 49 19.810 -5.143 0.418 1.00 0.00 N ATOM 834 CA ILE A 49 19.616 -4.954 1.845 1.00 0.00 C ATOM 835 C ILE A 49 20.265 -6.114 2.602 1.00 0.00 C ATOM 836 O ILE A 49 20.461 -7.192 2.043 1.00 0.00 O ATOM 837 CB ILE A 49 18.131 -4.766 2.164 1.00 0.00 C ATOM 838 CG1 ILE A 49 17.767 -3.281 2.226 1.00 0.00 C ATOM 839 CG2 ILE A 49 17.748 -5.504 3.448 1.00 0.00 C ATOM 840 CD1 ILE A 49 18.637 -2.463 1.269 1.00 0.00 C ATOM 0 H ILE A 49 19.003 -4.903 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 49 20.108 -4.040 2.178 1.00 0.00 H new ATOM 0 HB ILE A 49 17.550 -5.206 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 49 16.716 -3.150 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 49 17.895 -2.914 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 49 16.688 -5.354 3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 49 17.947 -6.569 3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 49 18.336 -5.116 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 49 18.358 -1.411 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 49 19.686 -2.577 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 49 18.488 -2.817 0.249 1.00 0.00 H new ATOM 852 N ASP A 50 20.581 -5.854 3.862 1.00 0.00 N ATOM 853 CA ASP A 50 21.204 -6.864 4.701 1.00 0.00 C ATOM 854 C ASP A 50 21.138 -6.417 6.163 1.00 0.00 C ATOM 855 O ASP A 50 20.832 -7.216 7.047 1.00 0.00 O ATOM 856 CB ASP A 50 22.676 -7.055 4.332 1.00 0.00 C ATOM 857 CG ASP A 50 23.217 -8.471 4.542 1.00 0.00 C ATOM 858 OD1 ASP A 50 22.689 -9.445 3.985 1.00 0.00 O ATOM 859 OD2 ASP A 50 24.238 -8.554 5.326 1.00 0.00 O ATOM 0 H ASP A 50 20.417 -4.959 4.322 1.00 0.00 H new ATOM 0 HA ASP A 50 20.670 -7.802 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 50 22.811 -6.782 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 50 23.276 -6.362 4.922 1.00 0.00 H new ATOM 865 N HIS A 51 21.429 -5.142 6.373 1.00 0.00 N ATOM 866 CA HIS A 51 21.407 -4.580 7.713 1.00 0.00 C ATOM 867 C HIS A 51 19.965 -4.255 8.109 1.00 0.00 C ATOM 868 O HIS A 51 19.571 -4.461 9.256 1.00 0.00 O ATOM 869 CB HIS A 51 22.335 -3.367 7.809 1.00 0.00 C ATOM 870 CG HIS A 51 23.584 -3.613 8.621 1.00 0.00 C ATOM 871 ND1 HIS A 51 24.521 -4.574 8.283 1.00 0.00 N ATOM 872 CD2 HIS A 51 24.041 -3.013 9.757 1.00 0.00 C ATOM 873 CE1 HIS A 51 25.493 -4.546 9.183 1.00 0.00 C ATOM 874 NE2 HIS A 51 25.193 -3.578 10.096 1.00 0.00 N ATOM 0 H HIS A 51 21.681 -4.482 5.638 1.00 0.00 H new ATOM 0 HA HIS A 51 21.787 -5.313 8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 51 22.622 -3.061 6.803 1.00 0.00 H new ATOM 0 HB3 HIS A 51 21.785 -2.536 8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 51 23.549 -2.213 10.291 1.00 0.00 H new ATOM 0 HE1 HIS A 51 26.369 -5.178 9.192 1.00 0.00 H new ATOM 0 HE2 HIS A 51 25.761 -3.329 10.906 1.00 0.00 H new ATOM 882 N ALA A 52 19.217 -3.752 7.138 1.00 0.00 N ATOM 883 CA ALA A 52 17.828 -3.397 7.370 1.00 0.00 C ATOM 884 C ALA A 52 17.730 -2.542 8.636 1.00 0.00 C ATOM 885 O ALA A 52 18.746 -2.189 9.231 1.00 0.00 O ATOM 886 CB ALA A 52 16.983 -4.670 7.459 1.00 0.00 C ATOM 0 H ALA A 52 19.547 -3.582 6.188 1.00 0.00 H new ATOM 0 HA ALA A 52 17.439 -2.806 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.941 -4.403 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 52 17.064 -5.227 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.342 -5.288 8.282 1.00 0.00 H new ATOM 892 N LYS A 53 16.496 -2.235 9.009 1.00 0.00 N ATOM 893 CA LYS A 53 16.252 -1.429 10.193 1.00 0.00 C ATOM 894 C LYS A 53 16.067 -2.348 11.402 1.00 0.00 C ATOM 895 O LYS A 53 15.091 -2.222 12.139 1.00 0.00 O ATOM 896 CB LYS A 53 15.077 -0.476 9.960 1.00 0.00 C ATOM 897 CG LYS A 53 13.760 -1.247 9.852 1.00 0.00 C ATOM 898 CD LYS A 53 12.676 -0.391 9.194 1.00 0.00 C ATOM 899 CE LYS A 53 11.479 -0.207 10.129 1.00 0.00 C ATOM 900 NZ LYS A 53 10.569 -1.371 10.041 1.00 0.00 N ATOM 0 H LYS A 53 15.655 -2.530 8.512 1.00 0.00 H new ATOM 0 HA LYS A 53 17.112 -0.793 10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.017 0.241 10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.244 0.096 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.913 -2.156 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.432 -1.555 10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.088 0.583 8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.349 -0.862 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.827 -0.086 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.941 0.704 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.762 -1.230 10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.223 -1.468 9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.081 -2.234 10.314 1.00 0.00 H new ATOM 913 N VAL A 54 17.021 -3.252 11.568 1.00 0.00 N ATOM 914 CA VAL A 54 16.976 -4.193 12.675 1.00 0.00 C ATOM 915 C VAL A 54 18.306 -4.149 13.431 1.00 0.00 C ATOM 916 O VAL A 54 19.051 -5.127 13.440 1.00 0.00 O ATOM 917 CB VAL A 54 16.627 -5.591 12.161 1.00 0.00 C ATOM 918 CG1 VAL A 54 16.386 -6.558 13.322 1.00 0.00 C ATOM 919 CG2 VAL A 54 15.417 -5.544 11.225 1.00 0.00 C ATOM 0 H VAL A 54 17.830 -3.353 10.955 1.00 0.00 H new ATOM 0 HA VAL A 54 16.192 -3.916 13.379 1.00 0.00 H new ATOM 0 HB VAL A 54 17.478 -5.961 11.590 1.00 0.00 H new ATOM 0 HG11 VAL A 54 16.140 -7.544 12.929 1.00 0.00 H new ATOM 0 HG12 VAL A 54 17.286 -6.625 13.932 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.560 -6.194 13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 54 15.190 -6.550 10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.557 -5.144 11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 54 15.642 -4.904 10.372 1.00 0.00 H new ATOM 929 N ARG A 55 18.563 -3.003 14.046 1.00 0.00 N ATOM 930 CA ARG A 55 19.790 -2.819 14.802 1.00 0.00 C ATOM 931 C ARG A 55 19.478 -2.256 16.190 1.00 0.00 C ATOM 932 O ARG A 55 18.411 -2.517 16.744 1.00 0.00 O ATOM 933 CB ARG A 55 20.746 -1.869 14.077 1.00 0.00 C ATOM 934 CG ARG A 55 20.294 -0.415 14.229 1.00 0.00 C ATOM 935 CD ARG A 55 20.240 0.286 12.870 1.00 0.00 C ATOM 936 NE ARG A 55 19.273 1.405 12.916 1.00 0.00 N ATOM 937 CZ ARG A 55 17.944 1.265 12.726 1.00 0.00 C ATOM 938 NH1 ARG A 55 17.412 0.049 12.474 1.00 0.00 N ATOM 939 NH2 ARG A 55 17.171 2.333 12.789 1.00 0.00 N ATOM 0 H ARG A 55 17.943 -2.193 14.036 1.00 0.00 H new ATOM 0 HA ARG A 55 20.269 -3.793 14.900 1.00 0.00 H new ATOM 0 HB2 ARG A 55 21.753 -1.984 14.478 1.00 0.00 H new ATOM 0 HB3 ARG A 55 20.792 -2.131 13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 55 19.311 -0.383 14.698 1.00 0.00 H new ATOM 0 HG3 ARG A 55 20.980 0.116 14.889 1.00 0.00 H new ATOM 0 HD2 ARG A 55 21.229 0.660 12.605 1.00 0.00 H new ATOM 0 HD3 ARG A 55 19.950 -0.425 12.096 1.00 0.00 H new ATOM 0 HE ARG A 55 19.633 2.341 13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 55 18.016 -0.772 12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.407 -0.048 12.332 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.580 3.248 12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.165 2.243 12.648 1.00 0.00 H new ATOM 952 N LYS A 56 20.429 -1.496 16.712 1.00 0.00 N ATOM 953 CA LYS A 56 20.269 -0.894 18.026 1.00 0.00 C ATOM 954 C LYS A 56 19.205 0.203 17.953 1.00 0.00 C ATOM 955 O LYS A 56 19.355 1.170 17.208 1.00 0.00 O ATOM 956 CB LYS A 56 21.618 -0.408 18.560 1.00 0.00 C ATOM 957 CG LYS A 56 22.101 0.823 17.791 1.00 0.00 C ATOM 958 CD LYS A 56 21.772 2.109 18.551 1.00 0.00 C ATOM 959 CE LYS A 56 22.061 3.343 17.694 1.00 0.00 C ATOM 960 NZ LYS A 56 23.017 4.239 18.382 1.00 0.00 N ATOM 0 H LYS A 56 21.313 -1.283 16.250 1.00 0.00 H new ATOM 0 HA LYS A 56 19.916 -1.634 18.744 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.528 -0.167 19.619 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.355 -1.206 18.476 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.177 0.757 17.630 1.00 0.00 H new ATOM 0 HG3 LYS A 56 21.633 0.848 16.807 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.722 2.104 18.844 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.359 2.154 19.468 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.469 3.037 16.731 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.133 3.878 17.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.202 5.072 17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.614 4.545 19.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.908 3.730 18.553 1.00 0.00 H new ATOM 973 N HIS A 57 18.153 0.015 18.738 1.00 0.00 N ATOM 974 CA HIS A 57 17.064 0.976 18.772 1.00 0.00 C ATOM 975 C HIS A 57 16.405 0.956 20.152 1.00 0.00 C ATOM 976 O HIS A 57 15.206 0.708 20.268 1.00 0.00 O ATOM 977 CB HIS A 57 16.072 0.714 17.637 1.00 0.00 C ATOM 978 CG HIS A 57 15.229 1.911 17.270 1.00 0.00 C ATOM 979 ND1 HIS A 57 15.656 2.886 16.384 1.00 0.00 N ATOM 980 CD2 HIS A 57 13.980 2.281 17.676 1.00 0.00 C ATOM 981 CE1 HIS A 57 14.699 3.796 16.271 1.00 0.00 C ATOM 982 NE2 HIS A 57 13.662 3.420 17.073 1.00 0.00 N ATOM 0 H HIS A 57 18.032 -0.788 19.355 1.00 0.00 H new ATOM 0 HA HIS A 57 17.455 1.980 18.609 1.00 0.00 H new ATOM 0 HB2 HIS A 57 16.623 0.386 16.755 1.00 0.00 H new ATOM 0 HB3 HIS A 57 15.414 -0.106 17.925 1.00 0.00 H new ATOM 0 HD2 HIS A 57 13.356 1.739 18.371 1.00 0.00 H new ATOM 0 HE1 HIS A 57 14.734 4.680 15.652 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.786 3.930 17.190 1.00 0.00 H new ATOM 990 N GLN A 58 17.218 1.221 21.165 1.00 0.00 N ATOM 991 CA GLN A 58 16.729 1.236 22.533 1.00 0.00 C ATOM 992 C GLN A 58 16.060 -0.097 22.872 1.00 0.00 C ATOM 993 O GLN A 58 14.911 -0.331 22.501 1.00 0.00 O ATOM 994 CB GLN A 58 15.768 2.405 22.759 1.00 0.00 C ATOM 995 CG GLN A 58 16.266 3.315 23.883 1.00 0.00 C ATOM 996 CD GLN A 58 15.646 2.919 25.224 1.00 0.00 C ATOM 997 OE1 GLN A 58 15.546 1.753 25.571 1.00 0.00 O ATOM 998 NE2 GLN A 58 15.236 3.950 25.957 1.00 0.00 N ATOM 0 H GLN A 58 18.212 1.427 21.065 1.00 0.00 H new ATOM 0 HA GLN A 58 17.579 1.374 23.201 1.00 0.00 H new ATOM 0 HB2 GLN A 58 15.667 2.980 21.839 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.778 2.023 23.007 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.352 3.256 23.949 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.016 4.351 23.655 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.349 4.901 25.607 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.808 3.789 26.869 1.00 0.00 H new ATOM 1007 N ARG A 59 16.808 -0.936 23.575 1.00 0.00 N ATOM 1008 CA ARG A 59 16.301 -2.240 23.968 1.00 0.00 C ATOM 1009 C ARG A 59 14.989 -2.088 24.740 1.00 0.00 C ATOM 1010 O ARG A 59 14.613 -0.981 25.121 1.00 0.00 O ATOM 1011 CB ARG A 59 17.314 -2.984 24.840 1.00 0.00 C ATOM 1012 CG ARG A 59 18.474 -3.518 23.997 1.00 0.00 C ATOM 1013 CD ARG A 59 19.788 -2.828 24.371 1.00 0.00 C ATOM 1014 NE ARG A 59 20.403 -3.505 25.534 1.00 0.00 N ATOM 1015 CZ ARG A 59 21.185 -4.602 25.444 1.00 0.00 C ATOM 1016 NH1 ARG A 59 21.453 -5.155 24.243 1.00 0.00 N ATOM 1017 NH2 ARG A 59 21.682 -5.125 26.549 1.00 0.00 N ATOM 0 H ARG A 59 17.760 -0.738 23.882 1.00 0.00 H new ATOM 0 HA ARG A 59 16.128 -2.817 23.059 1.00 0.00 H new ATOM 0 HB2 ARG A 59 17.697 -2.315 25.610 1.00 0.00 H new ATOM 0 HB3 ARG A 59 16.821 -3.810 25.352 1.00 0.00 H new ATOM 0 HG2 ARG A 59 18.570 -4.594 24.144 1.00 0.00 H new ATOM 0 HG3 ARG A 59 18.263 -3.358 22.940 1.00 0.00 H new ATOM 0 HD2 ARG A 59 20.473 -2.849 23.524 1.00 0.00 H new ATOM 0 HD3 ARG A 59 19.604 -1.780 24.606 1.00 0.00 H new ATOM 0 HE ARG A 59 20.225 -3.119 26.461 1.00 0.00 H new ATOM 0 HH11 ARG A 59 21.064 -4.744 23.394 1.00 0.00 H new ATOM 0 HH12 ARG A 59 22.045 -5.984 24.184 1.00 0.00 H new ATOM 0 HH21 ARG A 59 21.473 -4.701 27.453 1.00 0.00 H new ATOM 0 HH22 ARG A 59 22.275 -5.954 26.499 1.00 0.00 H new ATOM 1030 N LYS A 60 14.328 -3.218 24.948 1.00 0.00 N ATOM 1031 CA LYS A 60 13.066 -3.224 25.668 1.00 0.00 C ATOM 1032 C LYS A 60 13.132 -4.257 26.795 1.00 0.00 C ATOM 1033 O LYS A 60 14.107 -4.997 26.907 1.00 0.00 O ATOM 1034 CB LYS A 60 11.899 -3.443 24.701 1.00 0.00 C ATOM 1035 CG LYS A 60 11.762 -4.921 24.332 1.00 0.00 C ATOM 1036 CD LYS A 60 12.854 -5.343 23.346 1.00 0.00 C ATOM 1037 CE LYS A 60 12.245 -5.981 22.096 1.00 0.00 C ATOM 1038 NZ LYS A 60 13.240 -6.842 21.417 1.00 0.00 N ATOM 0 H LYS A 60 14.643 -4.135 24.631 1.00 0.00 H new ATOM 0 HA LYS A 60 12.888 -2.254 26.133 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.974 -3.091 25.157 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.054 -2.852 23.798 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.824 -5.532 25.233 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.781 -5.100 23.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.449 -4.475 23.063 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.530 -6.050 23.827 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.371 -6.572 22.371 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.902 -5.203 21.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.811 -7.267 20.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.062 -6.269 21.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.547 -7.595 22.065 1.00 0.00 H new ATOM 1051 N PHE A 61 12.081 -4.272 27.602 1.00 0.00 N ATOM 1052 CA PHE A 61 12.008 -5.201 28.717 1.00 0.00 C ATOM 1053 C PHE A 61 10.662 -5.089 29.436 1.00 0.00 C ATOM 1054 O PHE A 61 9.812 -4.288 29.050 1.00 0.00 O ATOM 1055 CB PHE A 61 13.126 -4.822 29.690 1.00 0.00 C ATOM 1056 CG PHE A 61 14.307 -5.794 29.691 1.00 0.00 C ATOM 1057 CD1 PHE A 61 14.151 -7.052 30.185 1.00 0.00 C ATOM 1058 CD2 PHE A 61 15.512 -5.402 29.198 1.00 0.00 C ATOM 1059 CE1 PHE A 61 15.247 -7.955 30.186 1.00 0.00 C ATOM 1060 CE2 PHE A 61 16.608 -6.304 29.199 1.00 0.00 C ATOM 1061 CZ PHE A 61 16.452 -7.562 29.693 1.00 0.00 C ATOM 0 H PHE A 61 11.274 -3.656 27.506 1.00 0.00 H new ATOM 0 HA PHE A 61 12.113 -6.224 28.356 1.00 0.00 H new ATOM 0 HB2 PHE A 61 13.489 -3.825 29.439 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.713 -4.767 30.697 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.194 -7.364 30.576 1.00 0.00 H new ATOM 0 HD2 PHE A 61 15.635 -4.404 28.805 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.124 -8.954 30.578 1.00 0.00 H new ATOM 0 HE2 PHE A 61 17.565 -5.992 28.808 1.00 0.00 H new ATOM 0 HZ PHE A 61 17.285 -8.249 29.694 1.00 0.00 H new ATOM 1071 N LEU A 62 10.510 -5.905 30.470 1.00 0.00 N ATOM 1072 CA LEU A 62 9.282 -5.907 31.246 1.00 0.00 C ATOM 1073 C LEU A 62 9.353 -4.808 32.308 1.00 0.00 C ATOM 1074 O LEU A 62 8.414 -4.028 32.463 1.00 0.00 O ATOM 1075 CB LEU A 62 9.014 -7.300 31.820 1.00 0.00 C ATOM 1076 CG LEU A 62 10.242 -8.076 32.299 1.00 0.00 C ATOM 1077 CD1 LEU A 62 9.902 -8.946 33.511 1.00 0.00 C ATOM 1078 CD2 LEU A 62 10.853 -8.894 31.159 1.00 0.00 C ATOM 0 H LEU A 62 11.217 -6.568 30.788 1.00 0.00 H new ATOM 0 HA LEU A 62 8.428 -5.680 30.608 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.323 -7.199 32.657 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.508 -7.894 31.059 1.00 0.00 H new ATOM 0 HG LEU A 62 10.997 -7.358 32.620 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.792 -9.487 33.832 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.549 -8.313 34.325 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.122 -9.658 33.240 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.724 -9.436 31.526 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.115 -9.604 30.785 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.155 -8.226 30.353 1.00 0.00 H new ATOM 1090 N GLN A 63 10.475 -4.782 33.012 1.00 0.00 N ATOM 1091 CA GLN A 63 10.681 -3.791 34.055 1.00 0.00 C ATOM 1092 C GLN A 63 11.861 -2.885 33.701 1.00 0.00 C ATOM 1093 O GLN A 63 11.767 -1.663 33.813 1.00 0.00 O ATOM 1094 CB GLN A 63 10.892 -4.462 35.414 1.00 0.00 C ATOM 1095 CG GLN A 63 11.572 -5.822 35.254 1.00 0.00 C ATOM 1096 CD GLN A 63 11.987 -6.392 36.613 1.00 0.00 C ATOM 1097 OE1 GLN A 63 12.433 -5.684 37.501 1.00 0.00 O ATOM 1098 NE2 GLN A 63 11.815 -7.706 36.724 1.00 0.00 N ATOM 0 H GLN A 63 11.251 -5.431 32.881 1.00 0.00 H new ATOM 0 HA GLN A 63 9.785 -3.175 34.126 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.501 -3.820 36.050 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.932 -4.588 35.914 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.894 -6.515 34.757 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.449 -5.721 34.615 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.437 -8.239 35.941 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.062 -8.181 37.592 1.00 0.00 H new ATOM 1107 N ALA A 64 12.947 -3.518 33.281 1.00 0.00 N ATOM 1108 CA ALA A 64 14.144 -2.784 32.909 1.00 0.00 C ATOM 1109 C ALA A 64 14.960 -2.477 34.167 1.00 0.00 C ATOM 1110 O ALA A 64 14.642 -1.546 34.905 1.00 0.00 O ATOM 1111 CB ALA A 64 13.751 -1.517 32.146 1.00 0.00 C ATOM 0 H ALA A 64 13.022 -4.531 33.190 1.00 0.00 H new ATOM 0 HA ALA A 64 14.770 -3.382 32.247 1.00 0.00 H new ATOM 0 HB1 ALA A 64 14.650 -0.967 31.867 1.00 0.00 H new ATOM 0 HB2 ALA A 64 13.199 -1.790 31.247 1.00 0.00 H new ATOM 0 HB3 ALA A 64 13.124 -0.890 32.780 1.00 0.00 H new ATOM 1117 N ILE A 65 15.995 -3.278 34.372 1.00 0.00 N ATOM 1118 CA ILE A 65 16.858 -3.104 35.528 1.00 0.00 C ATOM 1119 C ILE A 65 18.320 -3.129 35.076 1.00 0.00 C ATOM 1120 O ILE A 65 18.806 -2.166 34.484 1.00 0.00 O ATOM 1121 CB ILE A 65 16.530 -4.142 36.603 1.00 0.00 C ATOM 1122 CG1 ILE A 65 16.193 -5.496 35.974 1.00 0.00 C ATOM 1123 CG2 ILE A 65 15.414 -3.644 37.524 1.00 0.00 C ATOM 1124 CD1 ILE A 65 16.345 -6.627 36.993 1.00 0.00 C ATOM 0 H ILE A 65 16.256 -4.049 33.757 1.00 0.00 H new ATOM 0 HA ILE A 65 16.683 -2.133 35.991 1.00 0.00 H new ATOM 0 HB ILE A 65 17.417 -4.286 37.220 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.172 -5.480 35.593 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.848 -5.679 35.122 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.200 -4.401 38.279 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.730 -2.723 38.013 1.00 0.00 H new ATOM 0 HG23 ILE A 65 14.516 -3.453 36.937 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.100 -7.578 36.520 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.373 -6.656 37.354 1.00 0.00 H new ATOM 0 HD13 ILE A 65 15.671 -6.454 37.832 1.00 0.00 H new ATOM 1136 N HIS A 66 18.979 -4.239 35.372 1.00 0.00 N ATOM 1137 CA HIS A 66 20.375 -4.401 35.003 1.00 0.00 C ATOM 1138 C HIS A 66 20.700 -5.890 34.865 1.00 0.00 C ATOM 1139 O HIS A 66 21.837 -6.304 35.085 1.00 0.00 O ATOM 1140 CB HIS A 66 21.287 -3.685 36.001 1.00 0.00 C ATOM 1141 CG HIS A 66 21.339 -4.337 37.362 1.00 0.00 C ATOM 1142 ND1 HIS A 66 22.520 -4.517 38.062 1.00 0.00 N ATOM 1143 CD2 HIS A 66 20.346 -4.848 38.144 1.00 0.00 C ATOM 1144 CE1 HIS A 66 22.237 -5.112 39.212 1.00 0.00 C ATOM 1145 NE2 HIS A 66 20.889 -5.316 39.261 1.00 0.00 N ATOM 0 H HIS A 66 18.572 -5.035 35.863 1.00 0.00 H new ATOM 0 HA HIS A 66 20.556 -3.934 34.035 1.00 0.00 H new ATOM 0 HB2 HIS A 66 22.296 -3.643 35.591 1.00 0.00 H new ATOM 0 HB3 HIS A 66 20.947 -2.656 36.115 1.00 0.00 H new ATOM 0 HD2 HIS A 66 19.295 -4.869 37.896 1.00 0.00 H new ATOM 0 HE1 HIS A 66 22.949 -5.387 39.976 1.00 0.00 H new ATOM 0 HE2 HIS A 66 20.382 -5.756 40.029 1.00 0.00 H new ATOM 1153 N GLN A 67 19.680 -6.654 34.501 1.00 0.00 N ATOM 1154 CA GLN A 67 19.843 -8.088 34.331 1.00 0.00 C ATOM 1155 C GLN A 67 18.883 -8.608 33.259 1.00 0.00 C ATOM 1156 O GLN A 67 18.075 -7.850 32.724 1.00 0.00 O ATOM 1157 CB GLN A 67 19.636 -8.824 35.656 1.00 0.00 C ATOM 1158 CG GLN A 67 20.949 -8.932 36.434 1.00 0.00 C ATOM 1159 CD GLN A 67 21.105 -10.322 37.056 1.00 0.00 C ATOM 1160 OE1 GLN A 67 20.590 -11.312 36.563 1.00 0.00 O ATOM 1161 NE2 GLN A 67 21.844 -10.340 38.161 1.00 0.00 N ATOM 0 H GLN A 67 18.738 -6.307 34.319 1.00 0.00 H new ATOM 0 HA GLN A 67 20.864 -8.281 34.001 1.00 0.00 H new ATOM 0 HB2 GLN A 67 18.895 -8.297 36.257 1.00 0.00 H new ATOM 0 HB3 GLN A 67 19.240 -9.821 35.464 1.00 0.00 H new ATOM 0 HG2 GLN A 67 21.788 -8.731 35.768 1.00 0.00 H new ATOM 0 HG3 GLN A 67 20.975 -8.174 37.217 1.00 0.00 H new ATOM 0 HE21 GLN A 67 22.246 -9.474 38.520 1.00 0.00 H new ATOM 0 HE22 GLN A 67 22.009 -11.220 38.650 1.00 0.00 H new ATOM 1170 N LEU A 68 19.002 -9.897 32.978 1.00 0.00 N ATOM 1171 CA LEU A 68 18.155 -10.527 31.980 1.00 0.00 C ATOM 1172 C LEU A 68 17.863 -11.969 32.401 1.00 0.00 C ATOM 1173 O LEU A 68 18.338 -12.423 33.441 1.00 0.00 O ATOM 1174 CB LEU A 68 18.784 -10.407 30.590 1.00 0.00 C ATOM 1175 CG LEU A 68 19.938 -11.366 30.292 1.00 0.00 C ATOM 1176 CD1 LEU A 68 19.435 -12.629 29.590 1.00 0.00 C ATOM 1177 CD2 LEU A 68 21.040 -10.667 29.493 1.00 0.00 C ATOM 0 H LEU A 68 19.673 -10.523 33.424 1.00 0.00 H new ATOM 0 HA LEU A 68 17.196 -10.013 31.916 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.004 -10.566 29.845 1.00 0.00 H new ATOM 0 HB3 LEU A 68 19.144 -9.386 30.463 1.00 0.00 H new ATOM 0 HG LEU A 68 20.376 -11.677 31.240 1.00 0.00 H new ATOM 0 HD11 LEU A 68 20.276 -13.293 29.390 1.00 0.00 H new ATOM 0 HD12 LEU A 68 18.714 -13.138 30.230 1.00 0.00 H new ATOM 0 HD13 LEU A 68 18.956 -12.356 28.650 1.00 0.00 H new ATOM 0 HD21 LEU A 68 21.848 -11.371 29.295 1.00 0.00 H new ATOM 0 HD22 LEU A 68 20.632 -10.307 28.548 1.00 0.00 H new ATOM 0 HD23 LEU A 68 21.426 -9.824 30.066 1.00 0.00 H new ATOM 1189 N ARG A 69 17.084 -12.647 31.572 1.00 0.00 N ATOM 1190 CA ARG A 69 16.723 -14.028 31.846 1.00 0.00 C ATOM 1191 C ARG A 69 15.839 -14.109 33.092 1.00 0.00 C ATOM 1192 O ARG A 69 15.788 -13.169 33.883 1.00 0.00 O ATOM 1193 CB ARG A 69 17.969 -14.891 32.056 1.00 0.00 C ATOM 1194 CG ARG A 69 18.249 -15.758 30.826 1.00 0.00 C ATOM 1195 CD ARG A 69 17.673 -17.165 31.005 1.00 0.00 C ATOM 1196 NE ARG A 69 18.730 -18.088 31.474 1.00 0.00 N ATOM 1197 CZ ARG A 69 19.560 -18.767 30.654 1.00 0.00 C ATOM 1198 NH1 ARG A 69 19.463 -18.631 29.315 1.00 0.00 N ATOM 1199 NH2 ARG A 69 20.468 -19.567 31.183 1.00 0.00 N ATOM 0 H ARG A 69 16.693 -12.266 30.710 1.00 0.00 H new ATOM 0 HA ARG A 69 16.175 -14.405 30.983 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.829 -14.252 32.258 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.832 -15.527 32.930 1.00 0.00 H new ATOM 0 HG2 ARG A 69 17.814 -15.293 29.942 1.00 0.00 H new ATOM 0 HG3 ARG A 69 19.324 -15.820 30.657 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.853 -17.143 31.723 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.260 -17.521 30.061 1.00 0.00 H new ATOM 0 HE ARG A 69 18.838 -18.219 32.480 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.758 -18.011 28.915 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.094 -19.148 28.703 1.00 0.00 H new ATOM 0 HH21 ARG A 69 20.534 -19.664 32.196 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.103 -20.088 30.578 1.00 0.00 H new ATOM 1212 N SER A 70 15.165 -15.242 33.227 1.00 0.00 N ATOM 1213 CA SER A 70 14.286 -15.458 34.364 1.00 0.00 C ATOM 1214 C SER A 70 14.382 -16.912 34.831 1.00 0.00 C ATOM 1215 O SER A 70 14.518 -17.822 34.014 1.00 0.00 O ATOM 1216 CB SER A 70 12.838 -15.107 34.014 1.00 0.00 C ATOM 1217 OG SER A 70 12.361 -15.855 32.900 1.00 0.00 O ATOM 0 H SER A 70 15.210 -16.020 32.568 1.00 0.00 H new ATOM 0 HA SER A 70 14.605 -14.802 35.174 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.200 -15.297 34.877 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.767 -14.042 33.793 1.00 0.00 H new ATOM 0 HG SER A 70 11.433 -15.603 32.710 1.00 0.00 H new ATOM 1223 N VAL A 71 14.306 -17.085 36.142 1.00 0.00 N ATOM 1224 CA VAL A 71 14.383 -18.412 36.727 1.00 0.00 C ATOM 1225 C VAL A 71 12.986 -19.036 36.750 1.00 0.00 C ATOM 1226 O VAL A 71 12.465 -19.363 37.815 1.00 0.00 O ATOM 1227 CB VAL A 71 15.026 -18.337 38.113 1.00 0.00 C ATOM 1228 CG1 VAL A 71 15.087 -19.720 38.765 1.00 0.00 C ATOM 1229 CG2 VAL A 71 16.417 -17.704 38.038 1.00 0.00 C ATOM 0 H VAL A 71 14.192 -16.328 36.816 1.00 0.00 H new ATOM 0 HA VAL A 71 15.019 -19.059 36.123 1.00 0.00 H new ATOM 0 HB VAL A 71 14.401 -17.700 38.738 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.548 -19.638 39.749 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.078 -20.118 38.869 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.679 -20.390 38.142 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.852 -17.662 39.037 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.055 -18.304 37.389 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.336 -16.694 37.635 1.00 0.00 H new ATOM 1239 N LYS A 72 12.419 -19.183 35.561 1.00 0.00 N ATOM 1240 CA LYS A 72 11.093 -19.762 35.431 1.00 0.00 C ATOM 1241 C LYS A 72 10.065 -18.817 36.057 1.00 0.00 C ATOM 1242 O LYS A 72 9.957 -18.734 37.279 1.00 0.00 O ATOM 1243 CB LYS A 72 11.065 -21.176 36.016 1.00 0.00 C ATOM 1244 CG LYS A 72 11.890 -22.140 35.160 1.00 0.00 C ATOM 1245 CD LYS A 72 13.167 -22.564 35.888 1.00 0.00 C ATOM 1246 CE LYS A 72 14.314 -22.783 34.900 1.00 0.00 C ATOM 1247 NZ LYS A 72 15.269 -21.654 34.956 1.00 0.00 N ATOM 0 H LYS A 72 12.854 -18.911 34.679 1.00 0.00 H new ATOM 0 HA LYS A 72 10.827 -19.872 34.380 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.457 -21.161 37.033 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.035 -21.528 36.077 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.294 -23.021 34.921 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.148 -21.663 34.214 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.448 -21.800 36.613 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.984 -23.482 36.447 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.829 -23.715 35.133 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.918 -22.882 33.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.041 -21.819 34.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.777 -20.771 34.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.661 -21.578 35.916 1.00 0.00 H new ATOM 1260 N MET A 73 9.335 -18.130 35.190 1.00 0.00 N ATOM 1261 CA MET A 73 8.320 -17.195 35.643 1.00 0.00 C ATOM 1262 C MET A 73 7.203 -17.920 36.395 1.00 0.00 C ATOM 1263 O MET A 73 7.168 -19.149 36.428 1.00 0.00 O ATOM 1264 CB MET A 73 7.730 -16.459 34.438 1.00 0.00 C ATOM 1265 CG MET A 73 8.780 -15.565 33.774 1.00 0.00 C ATOM 1266 SD MET A 73 8.059 -13.987 33.353 1.00 0.00 S ATOM 1267 CE MET A 73 9.273 -12.891 34.070 1.00 0.00 C ATOM 0 H MET A 73 9.427 -18.203 34.177 1.00 0.00 H new ATOM 0 HA MET A 73 8.787 -16.482 36.323 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.353 -17.182 33.715 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.881 -15.854 34.757 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.625 -15.420 34.447 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.167 -16.049 32.877 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.925 -11.861 33.992 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.419 -13.146 35.120 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.218 -12.996 33.537 1.00 0.00 H new ATOM 1277 N GLU A 74 6.317 -17.128 36.981 1.00 0.00 N ATOM 1278 CA GLU A 74 5.201 -17.679 37.731 1.00 0.00 C ATOM 1279 C GLU A 74 5.710 -18.442 38.956 1.00 0.00 C ATOM 1280 O GLU A 74 6.508 -19.369 38.826 1.00 0.00 O ATOM 1281 CB GLU A 74 4.336 -18.578 36.846 1.00 0.00 C ATOM 1282 CG GLU A 74 3.241 -17.769 36.147 1.00 0.00 C ATOM 1283 CD GLU A 74 2.089 -18.674 35.704 1.00 0.00 C ATOM 1284 OE1 GLU A 74 1.091 -18.805 36.427 1.00 0.00 O ATOM 1285 OE2 GLU A 74 2.257 -19.251 34.562 1.00 0.00 O ATOM 0 H GLU A 74 6.349 -16.109 36.952 1.00 0.00 H new ATOM 0 HA GLU A 74 4.577 -16.854 38.074 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.961 -19.071 36.101 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.883 -19.363 37.451 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.865 -17.000 36.822 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.659 -17.256 35.281 1.00 0.00 H new ATOM 1293 N GLN A 75 5.227 -18.025 40.117 1.00 0.00 N ATOM 1294 CA GLN A 75 5.623 -18.657 41.363 1.00 0.00 C ATOM 1295 C GLN A 75 5.542 -20.180 41.235 1.00 0.00 C ATOM 1296 O GLN A 75 5.070 -20.697 40.223 1.00 0.00 O ATOM 1297 CB GLN A 75 4.764 -18.159 42.528 1.00 0.00 C ATOM 1298 CG GLN A 75 3.440 -18.922 42.598 1.00 0.00 C ATOM 1299 CD GLN A 75 2.547 -18.368 43.710 1.00 0.00 C ATOM 1300 OE1 GLN A 75 2.264 -17.183 43.782 1.00 0.00 O ATOM 1301 NE2 GLN A 75 2.120 -19.288 44.571 1.00 0.00 N ATOM 0 H GLN A 75 4.564 -17.256 40.221 1.00 0.00 H new ATOM 0 HA GLN A 75 6.657 -18.384 41.574 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.308 -18.282 43.464 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.568 -17.093 42.410 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.923 -18.849 41.641 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.634 -19.980 42.776 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.394 -20.263 44.453 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.518 -19.018 45.349 1.00 0.00 H new ATOM 1310 N ARG A 76 6.010 -20.855 42.275 1.00 0.00 N ATOM 1311 CA ARG A 76 5.996 -22.308 42.291 1.00 0.00 C ATOM 1312 C ARG A 76 5.795 -22.821 43.718 1.00 0.00 C ATOM 1313 O ARG A 76 6.424 -22.328 44.653 1.00 0.00 O ATOM 1314 CB ARG A 76 7.301 -22.877 41.730 1.00 0.00 C ATOM 1315 CG ARG A 76 8.495 -22.467 42.596 1.00 0.00 C ATOM 1316 CD ARG A 76 9.812 -22.668 41.844 1.00 0.00 C ATOM 1317 NE ARG A 76 10.799 -21.651 42.273 1.00 0.00 N ATOM 1318 CZ ARG A 76 11.893 -21.311 41.558 1.00 0.00 C ATOM 1319 NH1 ARG A 76 12.149 -21.903 40.373 1.00 0.00 N ATOM 1320 NH2 ARG A 76 12.708 -20.389 42.037 1.00 0.00 N ATOM 0 H ARG A 76 6.401 -20.423 43.112 1.00 0.00 H new ATOM 0 HA ARG A 76 5.169 -22.639 41.663 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.237 -23.964 41.683 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.448 -22.522 40.710 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.395 -21.422 42.888 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.502 -23.055 43.514 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.201 -23.668 42.036 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.643 -22.592 40.770 1.00 0.00 H new ATOM 0 HE ARG A 76 10.643 -21.178 43.163 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.514 -22.614 40.010 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.978 -21.640 39.840 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.506 -19.946 42.933 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.539 -20.120 41.511 1.00 0.00 H new ATOM 1333 N LYS A 77 4.917 -23.805 43.841 1.00 0.00 N ATOM 1334 CA LYS A 77 4.625 -24.390 45.138 1.00 0.00 C ATOM 1335 C LYS A 77 5.932 -24.589 45.909 1.00 0.00 C ATOM 1336 O LYS A 77 7.009 -24.617 45.315 1.00 0.00 O ATOM 1337 CB LYS A 77 3.806 -25.673 44.976 1.00 0.00 C ATOM 1338 CG LYS A 77 2.333 -25.428 45.308 1.00 0.00 C ATOM 1339 CD LYS A 77 1.955 -26.082 46.639 1.00 0.00 C ATOM 1340 CE LYS A 77 0.867 -27.139 46.441 1.00 0.00 C ATOM 1341 NZ LYS A 77 -0.474 -26.512 46.452 1.00 0.00 N ATOM 0 H LYS A 77 4.398 -24.212 43.063 1.00 0.00 H new ATOM 0 HA LYS A 77 4.005 -23.716 45.728 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.896 -26.040 43.953 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.206 -26.449 45.629 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.141 -24.356 45.358 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.706 -25.827 44.511 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.837 -26.542 47.086 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.605 -25.321 47.336 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.024 -27.658 45.496 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.931 -27.888 47.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.200 -27.244 46.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.627 -26.037 47.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.537 -25.815 45.683 1.00 0.00 H new ATOM 1354 N LEU A 78 5.794 -24.720 47.220 1.00 0.00 N ATOM 1355 CA LEU A 78 6.951 -24.915 48.078 1.00 0.00 C ATOM 1356 C LEU A 78 6.764 -26.195 48.896 1.00 0.00 C ATOM 1357 O LEU A 78 7.144 -27.278 48.454 1.00 0.00 O ATOM 1358 CB LEU A 78 7.200 -23.670 48.932 1.00 0.00 C ATOM 1359 CG LEU A 78 5.954 -22.978 49.488 1.00 0.00 C ATOM 1360 CD1 LEU A 78 6.079 -22.750 50.995 1.00 0.00 C ATOM 1361 CD2 LEU A 78 5.667 -21.678 48.734 1.00 0.00 C ATOM 0 H LEU A 78 4.899 -24.695 47.709 1.00 0.00 H new ATOM 0 HA LEU A 78 7.852 -25.048 47.479 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.840 -23.950 49.769 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.756 -22.948 48.333 1.00 0.00 H new ATOM 0 HG LEU A 78 5.100 -23.637 49.332 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.180 -22.257 51.364 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.200 -23.709 51.499 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.946 -22.122 51.197 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.776 -21.206 49.149 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.517 -21.003 48.836 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.503 -21.898 47.679 1.00 0.00 H new ATOM 1373 N ASN A 79 6.179 -26.027 50.073 1.00 0.00 N ATOM 1374 CA ASN A 79 5.938 -27.155 50.956 1.00 0.00 C ATOM 1375 C ASN A 79 7.220 -27.980 51.084 1.00 0.00 C ATOM 1376 O ASN A 79 7.168 -29.172 51.385 1.00 0.00 O ATOM 1377 CB ASN A 79 4.843 -28.067 50.398 1.00 0.00 C ATOM 1378 CG ASN A 79 3.484 -27.732 51.015 1.00 0.00 C ATOM 1379 OD1 ASN A 79 3.371 -27.377 52.177 1.00 0.00 O ATOM 1380 ND2 ASN A 79 2.461 -27.864 50.175 1.00 0.00 N ATOM 0 H ASN A 79 5.865 -25.127 50.435 1.00 0.00 H new ATOM 0 HA ASN A 79 5.624 -26.764 51.924 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.791 -27.958 49.315 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.093 -29.108 50.602 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.512 -27.664 50.491 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.625 -28.165 49.215 1.00 0.00 H new ATOM 1387 N ASP A 80 8.341 -27.314 50.850 1.00 0.00 N ATOM 1388 CA ASP A 80 9.634 -27.970 50.936 1.00 0.00 C ATOM 1389 C ASP A 80 9.567 -29.316 50.212 1.00 0.00 C ATOM 1390 O ASP A 80 9.208 -30.330 50.809 1.00 0.00 O ATOM 1391 CB ASP A 80 10.021 -28.236 52.392 1.00 0.00 C ATOM 1392 CG ASP A 80 10.406 -26.992 53.196 1.00 0.00 C ATOM 1393 OD1 ASP A 80 9.970 -25.873 52.889 1.00 0.00 O ATOM 1394 OD2 ASP A 80 11.199 -27.209 54.190 1.00 0.00 O ATOM 0 H ASP A 80 8.380 -26.326 50.601 1.00 0.00 H new ATOM 0 HA ASP A 80 10.376 -27.314 50.479 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.186 -28.728 52.890 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.858 -28.934 52.408 1.00 0.00 H new ATOM 1400 N GLN A 81 9.918 -29.283 48.934 1.00 0.00 N ATOM 1401 CA GLN A 81 9.902 -30.487 48.122 1.00 0.00 C ATOM 1402 C GLN A 81 8.679 -31.341 48.464 1.00 0.00 C ATOM 1403 O GLN A 81 8.790 -32.331 49.186 1.00 0.00 O ATOM 1404 CB GLN A 81 11.195 -31.285 48.300 1.00 0.00 C ATOM 1405 CG GLN A 81 11.237 -32.480 47.345 1.00 0.00 C ATOM 1406 CD GLN A 81 12.630 -33.114 47.321 1.00 0.00 C ATOM 1407 OE1 GLN A 81 13.646 -32.440 47.319 1.00 0.00 O ATOM 1408 NE2 GLN A 81 12.618 -34.444 47.302 1.00 0.00 N ATOM 0 H GLN A 81 10.215 -28.441 48.442 1.00 0.00 H new ATOM 0 HA GLN A 81 9.835 -30.195 47.074 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.054 -30.639 48.118 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.272 -31.635 49.330 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.501 -33.222 47.653 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.963 -32.157 46.341 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.730 -34.946 47.305 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.497 -34.962 47.284 1.00 0.00 H new ATOM 1417 N ALA A 82 7.540 -30.928 47.928 1.00 0.00 N ATOM 1418 CA ALA A 82 6.298 -31.643 48.167 1.00 0.00 C ATOM 1419 C ALA A 82 6.185 -32.805 47.179 1.00 0.00 C ATOM 1420 O ALA A 82 5.512 -32.692 46.156 1.00 0.00 O ATOM 1421 CB ALA A 82 5.120 -30.671 48.060 1.00 0.00 C ATOM 0 H ALA A 82 7.451 -30.107 47.329 1.00 0.00 H new ATOM 0 HA ALA A 82 6.285 -32.063 49.173 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.188 -31.207 48.239 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.232 -29.880 48.802 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.100 -30.232 47.062 1.00 0.00 H new ATOM 1427 N ASN A 83 6.855 -33.897 47.519 1.00 0.00 N ATOM 1428 CA ASN A 83 6.839 -35.079 46.675 1.00 0.00 C ATOM 1429 C ASN A 83 7.361 -34.714 45.283 1.00 0.00 C ATOM 1430 O ASN A 83 8.556 -34.822 45.017 1.00 0.00 O ATOM 1431 CB ASN A 83 5.418 -35.625 46.519 1.00 0.00 C ATOM 1432 CG ASN A 83 5.064 -36.568 47.670 1.00 0.00 C ATOM 1433 OD1 ASN A 83 4.703 -36.152 48.759 1.00 0.00 O ATOM 1434 ND2 ASN A 83 5.186 -37.858 47.370 1.00 0.00 N ATOM 0 H ASN A 83 7.413 -33.987 48.368 1.00 0.00 H new ATOM 0 HA ASN A 83 7.467 -35.837 47.144 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.708 -34.798 46.490 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.330 -36.154 45.570 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.972 -38.567 48.071 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.493 -38.138 46.439 1.00 0.00 H new ATOM 1441 N THR A 84 6.438 -34.289 44.433 1.00 0.00 N ATOM 1442 CA THR A 84 6.789 -33.907 43.076 1.00 0.00 C ATOM 1443 C THR A 84 7.807 -34.889 42.493 1.00 0.00 C ATOM 1444 O THR A 84 8.894 -34.488 42.079 1.00 0.00 O ATOM 1445 CB THR A 84 7.287 -32.461 43.106 1.00 0.00 C ATOM 1446 OG1 THR A 84 7.763 -32.230 41.782 1.00 0.00 O ATOM 1447 CG2 THR A 84 8.529 -32.287 43.983 1.00 0.00 C ATOM 0 H THR A 84 5.447 -34.201 44.658 1.00 0.00 H new ATOM 0 HA THR A 84 5.924 -33.954 42.415 1.00 0.00 H new ATOM 0 HB THR A 84 6.491 -31.811 43.470 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.584 -32.745 41.635 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.841 -31.243 43.969 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.296 -32.583 45.006 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.336 -32.912 43.599 1.00 0.00 H new ATOM 1455 N LEU A 85 7.419 -36.155 42.479 1.00 0.00 N ATOM 1456 CA LEU A 85 8.285 -37.197 41.953 1.00 0.00 C ATOM 1457 C LEU A 85 8.455 -37.001 40.446 1.00 0.00 C ATOM 1458 O LEU A 85 9.301 -37.642 39.824 1.00 0.00 O ATOM 1459 CB LEU A 85 7.753 -38.580 42.337 1.00 0.00 C ATOM 1460 CG LEU A 85 6.232 -38.746 42.305 1.00 0.00 C ATOM 1461 CD1 LEU A 85 5.838 -40.054 41.616 1.00 0.00 C ATOM 1462 CD2 LEU A 85 5.639 -38.638 43.711 1.00 0.00 C ATOM 0 H LEU A 85 6.517 -36.483 42.823 1.00 0.00 H new ATOM 0 HA LEU A 85 9.278 -37.127 42.398 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.193 -39.316 41.665 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.103 -38.816 43.342 1.00 0.00 H new ATOM 0 HG LEU A 85 5.812 -37.932 41.715 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.752 -40.148 41.607 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.211 -40.052 40.592 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.270 -40.895 42.158 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.557 -38.760 43.660 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.062 -39.417 44.345 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.875 -37.660 44.131 1.00 0.00 H new ATOM 1474 N VAL A 86 7.637 -36.112 39.901 1.00 0.00 N ATOM 1475 CA VAL A 86 7.687 -35.823 38.478 1.00 0.00 C ATOM 1476 C VAL A 86 7.887 -37.127 37.704 1.00 0.00 C ATOM 1477 O VAL A 86 8.907 -37.309 37.041 1.00 0.00 O ATOM 1478 CB VAL A 86 8.774 -34.785 38.192 1.00 0.00 C ATOM 1479 CG1 VAL A 86 8.761 -34.368 36.720 1.00 0.00 C ATOM 1480 CG2 VAL A 86 8.624 -33.568 39.108 1.00 0.00 C ATOM 0 H VAL A 86 6.936 -35.583 40.419 1.00 0.00 H new ATOM 0 HA VAL A 86 6.745 -35.388 38.144 1.00 0.00 H new ATOM 0 HB VAL A 86 9.740 -35.245 38.401 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.543 -33.630 36.544 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.939 -35.242 36.093 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.792 -33.935 36.473 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.409 -32.845 38.884 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.650 -33.108 38.945 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.707 -33.883 40.148 1.00 0.00 H new ATOM 1490 N ASP A 87 6.897 -38.001 37.813 1.00 0.00 N ATOM 1491 CA ASP A 87 6.952 -39.283 37.132 1.00 0.00 C ATOM 1492 C ASP A 87 5.680 -39.469 36.302 1.00 0.00 C ATOM 1493 O ASP A 87 4.810 -40.261 36.663 1.00 0.00 O ATOM 1494 CB ASP A 87 7.037 -40.436 38.133 1.00 0.00 C ATOM 1495 CG ASP A 87 8.456 -40.833 38.544 1.00 0.00 C ATOM 1496 OD1 ASP A 87 9.259 -39.988 38.966 1.00 0.00 O ATOM 1497 OD2 ASP A 87 8.730 -42.087 38.414 1.00 0.00 O ATOM 0 H ASP A 87 6.052 -37.846 38.363 1.00 0.00 H new ATOM 0 HA ASP A 87 7.839 -39.291 36.499 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.479 -40.162 39.028 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.542 -41.307 37.704 1.00 0.00 H new ATOM 1503 N LEU A 88 5.611 -38.727 35.207 1.00 0.00 N ATOM 1504 CA LEU A 88 4.460 -38.801 34.324 1.00 0.00 C ATOM 1505 C LEU A 88 4.700 -39.883 33.269 1.00 0.00 C ATOM 1506 O LEU A 88 4.003 -39.934 32.257 1.00 0.00 O ATOM 1507 CB LEU A 88 4.149 -37.424 33.733 1.00 0.00 C ATOM 1508 CG LEU A 88 5.160 -36.886 32.718 1.00 0.00 C ATOM 1509 CD1 LEU A 88 4.505 -36.674 31.352 1.00 0.00 C ATOM 1510 CD2 LEU A 88 5.830 -35.612 33.236 1.00 0.00 C ATOM 0 H LEU A 88 6.334 -38.071 34.911 1.00 0.00 H new ATOM 0 HA LEU A 88 3.570 -39.092 34.882 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.171 -37.469 33.253 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.070 -36.709 34.552 1.00 0.00 H new ATOM 0 HG LEU A 88 5.944 -37.632 32.587 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.245 -36.291 30.649 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.113 -37.623 30.985 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.690 -35.957 31.447 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.544 -35.250 32.496 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.072 -34.849 33.413 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.352 -35.829 34.168 1.00 0.00 H new ATOM 1522 N ALA A 89 5.690 -40.721 33.542 1.00 0.00 N ATOM 1523 CA ALA A 89 6.031 -41.799 32.629 1.00 0.00 C ATOM 1524 C ALA A 89 6.708 -41.215 31.387 1.00 0.00 C ATOM 1525 O ALA A 89 6.185 -41.328 30.280 1.00 0.00 O ATOM 1526 CB ALA A 89 4.770 -42.595 32.285 1.00 0.00 C ATOM 0 H ALA A 89 6.267 -40.675 34.382 1.00 0.00 H new ATOM 0 HA ALA A 89 6.735 -42.488 33.095 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.026 -43.404 31.600 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.344 -43.013 33.197 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.041 -41.936 31.813 1.00 0.00 H new ATOM 1532 N LYS A 90 7.861 -40.603 31.614 1.00 0.00 N ATOM 1533 CA LYS A 90 8.614 -40.001 30.527 1.00 0.00 C ATOM 1534 C LYS A 90 9.494 -41.066 29.870 1.00 0.00 C ATOM 1535 O LYS A 90 9.115 -41.650 28.856 1.00 0.00 O ATOM 1536 CB LYS A 90 9.394 -38.782 31.027 1.00 0.00 C ATOM 1537 CG LYS A 90 8.447 -37.706 31.561 1.00 0.00 C ATOM 1538 CD LYS A 90 9.152 -36.352 31.657 1.00 0.00 C ATOM 1539 CE LYS A 90 8.526 -35.339 30.697 1.00 0.00 C ATOM 1540 NZ LYS A 90 9.394 -35.136 29.516 1.00 0.00 N ATOM 0 H LYS A 90 8.292 -40.511 32.534 1.00 0.00 H new ATOM 0 HA LYS A 90 7.939 -39.626 29.758 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.085 -39.086 31.813 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.995 -38.372 30.215 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.580 -37.623 30.906 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.077 -37.998 32.544 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.090 -35.977 32.679 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.210 -36.472 31.426 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.545 -35.690 30.378 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.373 -34.390 31.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.953 -34.445 28.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.321 -34.780 29.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.519 -36.040 29.017 1.00 0.00 H new ATOM 1553 N THR A 91 10.651 -41.288 30.476 1.00 0.00 N ATOM 1554 CA THR A 91 11.588 -42.273 29.962 1.00 0.00 C ATOM 1555 C THR A 91 11.744 -42.122 28.448 1.00 0.00 C ATOM 1556 O THR A 91 11.415 -43.035 27.692 1.00 0.00 O ATOM 1557 CB THR A 91 11.096 -43.659 30.387 1.00 0.00 C ATOM 1558 OG1 THR A 91 9.784 -43.745 29.839 1.00 0.00 O ATOM 1559 CG2 THR A 91 10.877 -43.765 31.897 1.00 0.00 C ATOM 0 H THR A 91 10.961 -40.803 31.318 1.00 0.00 H new ATOM 0 HA THR A 91 12.585 -42.124 30.376 1.00 0.00 H new ATOM 0 HB THR A 91 11.818 -44.412 30.071 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.739 -43.219 29.013 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.528 -44.768 32.145 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.816 -43.569 32.415 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.131 -43.034 32.209 1.00 0.00 H new ATOM 1567 N GLN A 92 12.247 -40.963 28.050 1.00 0.00 N ATOM 1568 CA GLN A 92 12.451 -40.680 26.640 1.00 0.00 C ATOM 1569 C GLN A 92 13.813 -40.017 26.423 1.00 0.00 C ATOM 1570 O GLN A 92 14.654 -40.541 25.695 1.00 0.00 O ATOM 1571 CB GLN A 92 11.322 -39.808 26.086 1.00 0.00 C ATOM 1572 CG GLN A 92 11.567 -39.463 24.616 1.00 0.00 C ATOM 1573 CD GLN A 92 10.249 -39.173 23.894 1.00 0.00 C ATOM 1574 OE1 GLN A 92 9.684 -38.096 23.988 1.00 0.00 O ATOM 1575 NE2 GLN A 92 9.793 -40.192 23.171 1.00 0.00 N ATOM 0 H GLN A 92 12.519 -40.209 28.680 1.00 0.00 H new ATOM 0 HA GLN A 92 12.437 -41.624 26.095 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.371 -40.331 26.187 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.245 -38.891 26.671 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.222 -38.595 24.547 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.080 -40.290 24.125 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.316 -41.067 23.136 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.920 -40.099 22.652 1.00 0.00 H new TER 1584 GLN A 92