USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 78 ASN : amide:sc= -2.81 X(o=-2.8,f=-2.5!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 8 GLN : amide:sc= -0.629 X(o=-1.3,f=-1.5!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ 159:sc= -0.69 (180deg=-0.217) USER MOD Set 4.1: A 18 HIS : no HE2:sc= -0.93 X(o=-2.1,f=-2.1) USER MOD Set 4.2: A 74 ASN : amide:sc= -1.14 K(o=-2.1,f=-3.5) USER MOD Set 5.1: A 9 MET CE :methyl -166:sc= -0.322 (180deg=-0.493) USER MOD Set 5.2: A 69 MET CE :methyl -125:sc= -0.0673 (180deg=-2.84!) USER MOD Set 6.1: A 3 ASN : amide:sc= -2.61 K(o=-4,f=-10!) USER MOD Set 6.2: A 5 THR OG1 : rot -111:sc= 0.487 USER MOD Set 6.3: A 37 HIS : no HE2:sc= -1.92 K(o=-4,f=-6!) USER MOD Single : A 2 MET CE :methyl -118:sc= -1.47 (180deg=-5.64!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.969 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 THR OG1 : rot -13:sc= 0.412 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 66 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-10!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.99 USER MOD Single : A 83 GLN : amide:sc= -4.11! C(o=-4.1!,f=-2.8!) USER MOD Single : A 85 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.404 -15.930 -15.214 1.00 0.00 N ATOM 18 CA MET A 2 -29.350 -16.911 -14.983 1.00 0.00 C ATOM 19 C MET A 2 -29.694 -18.244 -15.639 1.00 0.00 C ATOM 20 O MET A 2 -30.266 -19.131 -15.005 1.00 0.00 O ATOM 21 CB MET A 2 -29.130 -17.110 -13.482 1.00 0.00 C ATOM 22 CG MET A 2 -28.043 -18.120 -13.152 1.00 0.00 C ATOM 23 SD MET A 2 -28.707 -19.705 -12.605 1.00 0.00 S ATOM 24 CE MET A 2 -27.221 -20.704 -12.578 1.00 0.00 C ATOM 0 HA MET A 2 -28.431 -16.532 -15.431 1.00 0.00 H new ATOM 0 HB2 MET A 2 -28.872 -16.152 -13.031 1.00 0.00 H new ATOM 0 HB3 MET A 2 -30.066 -17.435 -13.027 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.419 -18.277 -14.032 1.00 0.00 H new ATOM 0 HG3 MET A 2 -27.399 -17.712 -12.373 1.00 0.00 H new ATOM 0 HE1 MET A 2 -27.321 -21.524 -13.289 1.00 0.00 H new ATOM 0 HE2 MET A 2 -26.364 -20.089 -12.852 1.00 0.00 H new ATOM 0 HE3 MET A 2 -27.072 -21.108 -11.576 1.00 0.00 H new ATOM 34 N ASN A 3 -29.348 -18.377 -16.914 1.00 0.00 N ATOM 35 CA ASN A 3 -29.629 -19.601 -17.656 1.00 0.00 C ATOM 36 C ASN A 3 -28.372 -20.139 -18.333 1.00 0.00 C ATOM 37 O ASN A 3 -27.878 -19.559 -19.299 1.00 0.00 O ATOM 38 CB ASN A 3 -30.716 -19.348 -18.701 1.00 0.00 C ATOM 39 CG ASN A 3 -31.527 -20.593 -19.006 1.00 0.00 C ATOM 40 OD1 ASN A 3 -31.672 -20.985 -20.163 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.061 -21.221 -17.964 1.00 0.00 N ATOM 0 H ASN A 3 -28.873 -17.654 -17.455 1.00 0.00 H new ATOM 0 HA ASN A 3 -29.980 -20.350 -16.946 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.382 -18.562 -18.345 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.255 -18.984 -19.619 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -32.617 -22.064 -18.107 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -31.915 -20.860 -17.021 1.00 0.00 H new ATOM 48 N ILE A 4 -27.867 -21.257 -17.822 1.00 0.00 N ATOM 49 CA ILE A 4 -26.674 -21.886 -18.377 1.00 0.00 C ATOM 50 C ILE A 4 -26.993 -23.285 -18.894 1.00 0.00 C ATOM 51 O ILE A 4 -27.579 -24.099 -18.183 1.00 0.00 O ATOM 52 CB ILE A 4 -25.540 -21.976 -17.336 1.00 0.00 C ATOM 53 CG1 ILE A 4 -26.084 -22.461 -15.990 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.857 -20.626 -17.183 1.00 0.00 C ATOM 55 CD1 ILE A 4 -25.019 -22.597 -14.922 1.00 0.00 C ATOM 0 H ILE A 4 -28.267 -21.747 -17.022 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.338 -21.259 -19.203 1.00 0.00 H new ATOM 0 HB ILE A 4 -24.803 -22.699 -17.686 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -26.848 -21.765 -15.644 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.572 -23.426 -16.130 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.059 -20.704 -16.445 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.437 -20.320 -18.141 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.585 -19.885 -16.853 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.475 -22.945 -13.995 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -24.267 -23.315 -15.248 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.547 -21.629 -14.753 1.00 0.00 H new ATOM 67 N THR A 5 -26.608 -23.556 -20.138 1.00 0.00 N ATOM 68 CA THR A 5 -26.861 -24.858 -20.746 1.00 0.00 C ATOM 69 C THR A 5 -25.619 -25.387 -21.455 1.00 0.00 C ATOM 70 O THR A 5 -24.663 -24.649 -21.691 1.00 0.00 O ATOM 71 CB THR A 5 -28.021 -24.766 -21.738 1.00 0.00 C ATOM 72 OG1 THR A 5 -27.955 -23.559 -22.476 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.380 -24.828 -21.075 1.00 0.00 C ATOM 0 H THR A 5 -26.122 -22.894 -20.743 1.00 0.00 H new ATOM 0 HA THR A 5 -27.124 -25.552 -19.947 1.00 0.00 H new ATOM 0 HB THR A 5 -27.914 -25.632 -22.391 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.697 -22.974 -22.214 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.159 -24.758 -21.834 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.480 -25.772 -20.539 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.481 -24.000 -20.374 1.00 0.00 H new ATOM 81 N SER A 6 -25.642 -26.674 -21.788 1.00 0.00 N ATOM 82 CA SER A 6 -24.523 -27.317 -22.466 1.00 0.00 C ATOM 83 C SER A 6 -24.967 -28.641 -23.077 1.00 0.00 C ATOM 84 O SER A 6 -25.804 -29.346 -22.514 1.00 0.00 O ATOM 85 CB SER A 6 -23.374 -27.554 -21.485 1.00 0.00 C ATOM 86 OG SER A 6 -23.606 -28.708 -20.695 1.00 0.00 O ATOM 0 H SER A 6 -26.429 -27.295 -21.598 1.00 0.00 H new ATOM 0 HA SER A 6 -24.176 -26.659 -23.263 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.440 -27.668 -22.035 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.259 -26.684 -20.838 1.00 0.00 H new ATOM 0 HG SER A 6 -22.856 -28.838 -20.078 1.00 0.00 H new ATOM 92 N LYS A 7 -24.409 -28.972 -24.238 1.00 0.00 N ATOM 93 CA LYS A 7 -24.759 -30.210 -24.928 1.00 0.00 C ATOM 94 C LYS A 7 -23.682 -31.279 -24.750 1.00 0.00 C ATOM 95 O LYS A 7 -23.836 -32.405 -25.223 1.00 0.00 O ATOM 96 CB LYS A 7 -24.979 -29.937 -26.417 1.00 0.00 C ATOM 97 CG LYS A 7 -26.246 -29.149 -26.710 1.00 0.00 C ATOM 98 CD LYS A 7 -25.976 -27.987 -27.653 1.00 0.00 C ATOM 99 CE LYS A 7 -27.167 -27.714 -28.560 1.00 0.00 C ATOM 100 NZ LYS A 7 -26.871 -28.050 -29.980 1.00 0.00 N ATOM 0 H LYS A 7 -23.714 -28.402 -24.720 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.681 -30.586 -24.485 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.122 -29.389 -26.808 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.020 -30.887 -26.950 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.993 -29.810 -27.150 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.665 -28.772 -25.777 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -25.747 -27.093 -27.073 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -25.098 -28.207 -28.260 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -28.023 -28.296 -28.220 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -27.446 -26.663 -28.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -27.707 -27.850 -30.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -26.070 -27.476 -30.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -26.629 -29.059 -30.055 1.00 0.00 H new ATOM 114 N GLN A 8 -22.595 -30.930 -24.068 1.00 0.00 N ATOM 115 CA GLN A 8 -21.511 -31.866 -23.840 1.00 0.00 C ATOM 116 C GLN A 8 -21.606 -32.486 -22.449 1.00 0.00 C ATOM 117 O GLN A 8 -21.175 -33.620 -22.235 1.00 0.00 O ATOM 118 CB GLN A 8 -20.159 -31.171 -24.013 1.00 0.00 C ATOM 119 CG GLN A 8 -19.075 -32.084 -24.561 1.00 0.00 C ATOM 120 CD GLN A 8 -19.123 -32.205 -26.071 1.00 0.00 C ATOM 121 OE1 GLN A 8 -20.142 -32.594 -26.642 1.00 0.00 O ATOM 122 NE2 GLN A 8 -18.017 -31.874 -26.728 1.00 0.00 N ATOM 0 H GLN A 8 -22.446 -30.005 -23.666 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.596 -32.664 -24.578 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.280 -30.320 -24.683 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.837 -30.775 -23.050 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.099 -31.703 -24.262 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.180 -33.074 -24.117 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.195 -31.556 -26.215 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.990 -31.937 -27.746 1.00 0.00 H new ATOM 131 N MET A 9 -22.169 -31.737 -21.508 1.00 0.00 N ATOM 132 CA MET A 9 -22.319 -32.215 -20.139 1.00 0.00 C ATOM 133 C MET A 9 -23.631 -31.731 -19.531 1.00 0.00 C ATOM 134 O MET A 9 -24.395 -31.010 -20.171 1.00 0.00 O ATOM 135 CB MET A 9 -21.143 -31.745 -19.280 1.00 0.00 C ATOM 136 CG MET A 9 -19.784 -32.046 -19.890 1.00 0.00 C ATOM 137 SD MET A 9 -18.435 -31.221 -19.025 1.00 0.00 S ATOM 138 CE MET A 9 -18.384 -29.654 -19.892 1.00 0.00 C ATOM 0 H MET A 9 -22.529 -30.796 -21.668 1.00 0.00 H new ATOM 0 HA MET A 9 -22.332 -33.305 -20.163 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.229 -30.671 -19.118 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.206 -32.221 -18.301 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.614 -33.123 -19.876 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.783 -31.737 -20.935 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.457 -29.134 -19.650 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.431 -29.831 -20.966 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.233 -29.042 -19.587 1.00 0.00 H new ATOM 148 N GLU A 10 -23.882 -32.131 -18.289 1.00 0.00 N ATOM 149 CA GLU A 10 -25.099 -31.739 -17.589 1.00 0.00 C ATOM 150 C GLU A 10 -24.829 -30.564 -16.656 1.00 0.00 C ATOM 151 O GLU A 10 -23.676 -30.257 -16.349 1.00 0.00 O ATOM 152 CB GLU A 10 -25.654 -32.923 -16.792 1.00 0.00 C ATOM 153 CG GLU A 10 -26.953 -32.615 -16.065 1.00 0.00 C ATOM 154 CD GLU A 10 -27.746 -33.865 -15.735 1.00 0.00 C ATOM 155 OE1 GLU A 10 -27.472 -34.481 -14.683 1.00 0.00 O ATOM 156 OE2 GLU A 10 -28.641 -34.227 -16.526 1.00 0.00 O ATOM 0 H GLU A 10 -23.258 -32.727 -17.746 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.837 -31.431 -18.330 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.817 -33.761 -17.470 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.908 -33.242 -16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.731 -32.076 -15.144 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.563 -31.954 -16.682 1.00 0.00 H new ATOM 163 N ILE A 11 -25.893 -29.901 -16.215 1.00 0.00 N ATOM 164 CA ILE A 11 -25.764 -28.755 -15.327 1.00 0.00 C ATOM 165 C ILE A 11 -25.804 -29.187 -13.867 1.00 0.00 C ATOM 166 O ILE A 11 -26.808 -29.713 -13.388 1.00 0.00 O ATOM 167 CB ILE A 11 -26.888 -27.735 -15.581 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.111 -27.568 -17.087 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.561 -26.401 -14.923 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.049 -26.734 -17.772 1.00 0.00 C ATOM 0 H ILE A 11 -26.854 -30.139 -16.459 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.801 -28.290 -15.536 1.00 0.00 H new ATOM 0 HB ILE A 11 -27.811 -28.107 -15.135 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.142 -28.553 -17.552 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -28.085 -27.107 -17.252 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.368 -25.694 -15.114 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.450 -26.543 -13.848 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.631 -26.010 -15.335 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.274 -26.660 -18.836 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.032 -25.736 -17.335 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -25.075 -27.205 -17.639 1.00 0.00 H new ATOM 182 N THR A 12 -24.700 -28.954 -13.168 1.00 0.00 N ATOM 183 CA THR A 12 -24.592 -29.308 -11.759 1.00 0.00 C ATOM 184 C THR A 12 -24.800 -28.084 -10.871 1.00 0.00 C ATOM 185 O THR A 12 -24.619 -26.950 -11.315 1.00 0.00 O ATOM 186 CB THR A 12 -23.224 -29.928 -11.475 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.218 -28.931 -11.441 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.811 -30.962 -12.501 1.00 0.00 C ATOM 0 H THR A 12 -23.863 -28.519 -13.557 1.00 0.00 H new ATOM 0 HA THR A 12 -25.371 -30.036 -11.532 1.00 0.00 H new ATOM 0 HB THR A 12 -23.325 -30.420 -10.507 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.350 -29.348 -11.256 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.831 -31.362 -12.240 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.541 -31.771 -12.516 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.763 -30.498 -13.486 1.00 0.00 H new ATOM 196 N PRO A 13 -25.168 -28.295 -9.597 1.00 0.00 N ATOM 197 CA PRO A 13 -25.378 -27.200 -8.646 1.00 0.00 C ATOM 198 C PRO A 13 -24.096 -26.417 -8.388 1.00 0.00 C ATOM 199 O PRO A 13 -24.134 -25.312 -7.847 1.00 0.00 O ATOM 200 CB PRO A 13 -25.847 -27.904 -7.364 1.00 0.00 C ATOM 201 CG PRO A 13 -26.250 -29.275 -7.791 1.00 0.00 C ATOM 202 CD PRO A 13 -25.391 -29.610 -8.977 1.00 0.00 C ATOM 0 HA PRO A 13 -26.095 -26.470 -9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -25.049 -27.942 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.682 -27.373 -6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -26.100 -29.994 -6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.307 -29.306 -8.054 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.454 -30.081 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.891 -30.299 -9.658 1.00 0.00 H new ATOM 210 N ALA A 14 -22.962 -26.987 -8.787 1.00 0.00 N ATOM 211 CA ALA A 14 -21.681 -26.325 -8.601 1.00 0.00 C ATOM 212 C ALA A 14 -21.412 -25.358 -9.744 1.00 0.00 C ATOM 213 O ALA A 14 -20.940 -24.241 -9.532 1.00 0.00 O ATOM 214 CB ALA A 14 -20.563 -27.351 -8.497 1.00 0.00 C ATOM 0 H ALA A 14 -22.907 -27.900 -9.238 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.716 -25.758 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.611 -26.839 -8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.749 -28.007 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.526 -27.943 -9.411 1.00 0.00 H new ATOM 220 N ILE A 15 -21.741 -25.793 -10.957 1.00 0.00 N ATOM 221 CA ILE A 15 -21.562 -24.960 -12.134 1.00 0.00 C ATOM 222 C ILE A 15 -22.612 -23.862 -12.136 1.00 0.00 C ATOM 223 O ILE A 15 -22.375 -22.755 -12.617 1.00 0.00 O ATOM 224 CB ILE A 15 -21.671 -25.781 -13.436 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.676 -26.944 -13.414 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.426 -24.894 -14.650 1.00 0.00 C ATOM 227 CD1 ILE A 15 -21.032 -28.063 -14.369 1.00 0.00 C ATOM 0 H ILE A 15 -22.132 -26.716 -11.147 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.562 -24.528 -12.094 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.680 -26.187 -13.506 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.684 -26.567 -13.662 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.621 -27.345 -12.402 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.507 -25.490 -15.559 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.168 -24.095 -14.673 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.428 -24.460 -14.588 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.284 -28.852 -14.300 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -22.010 -28.467 -14.108 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.059 -27.677 -15.388 1.00 0.00 H new ATOM 239 N ARG A 16 -23.770 -24.176 -11.563 1.00 0.00 N ATOM 240 CA ARG A 16 -24.854 -23.216 -11.464 1.00 0.00 C ATOM 241 C ARG A 16 -24.498 -22.152 -10.436 1.00 0.00 C ATOM 242 O ARG A 16 -24.631 -20.959 -10.691 1.00 0.00 O ATOM 243 CB ARG A 16 -26.156 -23.914 -11.069 1.00 0.00 C ATOM 244 CG ARG A 16 -26.852 -24.609 -12.228 1.00 0.00 C ATOM 245 CD ARG A 16 -28.242 -25.083 -11.839 1.00 0.00 C ATOM 246 NE ARG A 16 -29.012 -24.034 -11.174 1.00 0.00 N ATOM 247 CZ ARG A 16 -30.078 -24.266 -10.411 1.00 0.00 C ATOM 248 NH1 ARG A 16 -30.506 -25.507 -10.216 1.00 0.00 N ATOM 249 NH2 ARG A 16 -30.718 -23.254 -9.842 1.00 0.00 N ATOM 0 H ARG A 16 -23.978 -25.090 -11.161 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.999 -22.746 -12.436 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -25.943 -24.648 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.835 -23.179 -10.637 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.923 -23.925 -13.074 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.255 -25.460 -12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -28.775 -25.414 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.159 -25.946 -11.178 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.715 -23.067 -11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -30.018 -26.289 -10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -31.323 -25.678 -9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -30.394 -22.298 -9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -31.535 -23.431 -9.257 1.00 0.00 H new ATOM 263 N GLN A 17 -24.020 -22.603 -9.277 1.00 0.00 N ATOM 264 CA GLN A 17 -23.617 -21.697 -8.209 1.00 0.00 C ATOM 265 C GLN A 17 -22.387 -20.896 -8.622 1.00 0.00 C ATOM 266 O GLN A 17 -22.269 -19.716 -8.288 1.00 0.00 O ATOM 267 CB GLN A 17 -23.344 -22.484 -6.925 1.00 0.00 C ATOM 268 CG GLN A 17 -22.715 -21.656 -5.815 1.00 0.00 C ATOM 269 CD GLN A 17 -23.023 -22.203 -4.435 1.00 0.00 C ATOM 270 OE1 GLN A 17 -22.744 -23.364 -4.138 1.00 0.00 O ATOM 271 NE2 GLN A 17 -23.602 -21.365 -3.582 1.00 0.00 N ATOM 0 H GLN A 17 -23.903 -23.592 -9.056 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.430 -20.996 -8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -24.282 -22.906 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.686 -23.322 -7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.635 -21.625 -5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -23.075 -20.629 -5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -23.816 -20.410 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -23.833 -21.676 -2.638 1.00 0.00 H new ATOM 280 N HIS A 18 -21.486 -21.522 -9.364 1.00 0.00 N ATOM 281 CA HIS A 18 -20.287 -20.833 -9.828 1.00 0.00 C ATOM 282 C HIS A 18 -20.674 -19.635 -10.694 1.00 0.00 C ATOM 283 O HIS A 18 -20.431 -18.481 -10.327 1.00 0.00 O ATOM 284 CB HIS A 18 -19.376 -21.790 -10.603 1.00 0.00 C ATOM 285 CG HIS A 18 -18.178 -21.126 -11.207 1.00 0.00 C ATOM 286 ND1 HIS A 18 -16.966 -21.022 -10.558 1.00 0.00 N ATOM 287 CD2 HIS A 18 -18.011 -20.530 -12.411 1.00 0.00 C ATOM 288 CE1 HIS A 18 -16.105 -20.390 -11.335 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.714 -20.081 -12.465 1.00 0.00 N ATOM 0 H HIS A 18 -21.559 -22.496 -9.657 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.734 -20.473 -8.960 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -19.042 -22.582 -9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.954 -22.266 -11.395 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -16.765 -21.378 -9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.758 -20.427 -13.184 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.078 -20.164 -11.088 1.00 0.00 H new ATOM 298 N VAL A 19 -21.296 -19.908 -11.833 1.00 0.00 N ATOM 299 CA VAL A 19 -21.730 -18.850 -12.731 1.00 0.00 C ATOM 300 C VAL A 19 -22.743 -17.937 -12.047 1.00 0.00 C ATOM 301 O VAL A 19 -22.625 -16.714 -12.114 1.00 0.00 O ATOM 302 CB VAL A 19 -22.353 -19.423 -14.017 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.636 -18.311 -15.014 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.444 -20.479 -14.627 1.00 0.00 C ATOM 0 H VAL A 19 -21.510 -20.852 -12.155 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.844 -18.273 -12.996 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.300 -19.898 -13.760 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.076 -18.735 -15.917 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.330 -17.595 -14.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.705 -17.804 -15.268 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -21.901 -20.872 -15.535 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.480 -20.033 -14.870 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.299 -21.290 -13.913 1.00 0.00 H new ATOM 314 N ALA A 20 -23.734 -18.530 -11.390 1.00 0.00 N ATOM 315 CA ALA A 20 -24.759 -17.751 -10.699 1.00 0.00 C ATOM 316 C ALA A 20 -24.150 -16.795 -9.678 1.00 0.00 C ATOM 317 O ALA A 20 -24.513 -15.620 -9.634 1.00 0.00 O ATOM 318 CB ALA A 20 -25.780 -18.656 -10.039 1.00 0.00 C ATOM 0 H ALA A 20 -23.850 -19.541 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.268 -17.150 -11.453 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.530 -18.049 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.263 -19.273 -10.797 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.282 -19.298 -9.312 1.00 0.00 H new ATOM 324 N ASP A 21 -23.226 -17.288 -8.857 1.00 0.00 N ATOM 325 CA ASP A 21 -22.594 -16.440 -7.851 1.00 0.00 C ATOM 326 C ASP A 21 -21.877 -15.270 -8.515 1.00 0.00 C ATOM 327 O ASP A 21 -21.754 -14.193 -7.932 1.00 0.00 O ATOM 328 CB ASP A 21 -21.625 -17.244 -6.976 1.00 0.00 C ATOM 329 CG ASP A 21 -20.384 -17.709 -7.715 1.00 0.00 C ATOM 330 OD1 ASP A 21 -19.757 -16.885 -8.413 1.00 0.00 O ATOM 331 OD2 ASP A 21 -20.032 -18.899 -7.583 1.00 0.00 O ATOM 0 H ASP A 21 -22.902 -18.255 -8.867 1.00 0.00 H new ATOM 0 HA ASP A 21 -23.377 -16.045 -7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.324 -16.633 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.146 -18.113 -6.575 1.00 0.00 H new ATOM 336 N ARG A 22 -21.416 -15.486 -9.743 1.00 0.00 N ATOM 337 CA ARG A 22 -20.723 -14.443 -10.491 1.00 0.00 C ATOM 338 C ARG A 22 -21.717 -13.413 -11.023 1.00 0.00 C ATOM 339 O ARG A 22 -21.383 -12.235 -11.170 1.00 0.00 O ATOM 340 CB ARG A 22 -19.928 -15.050 -11.647 1.00 0.00 C ATOM 341 CG ARG A 22 -18.729 -15.871 -11.201 1.00 0.00 C ATOM 342 CD ARG A 22 -17.689 -15.004 -10.509 1.00 0.00 C ATOM 343 NE ARG A 22 -17.133 -13.993 -11.405 1.00 0.00 N ATOM 344 CZ ARG A 22 -15.995 -13.343 -11.176 1.00 0.00 C ATOM 345 NH1 ARG A 22 -15.288 -13.595 -10.081 1.00 0.00 N ATOM 346 NH2 ARG A 22 -15.561 -12.439 -12.044 1.00 0.00 N ATOM 0 H ARG A 22 -21.509 -16.372 -10.240 1.00 0.00 H new ATOM 0 HA ARG A 22 -20.030 -13.943 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.590 -15.682 -12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.585 -14.248 -12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.057 -16.659 -10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.280 -16.361 -12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.141 -14.514 -9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.885 -15.635 -10.131 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.648 -13.772 -12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.617 -14.290 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.416 -13.094 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.100 -12.242 -12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.688 -11.941 -11.868 1.00 0.00 H new ATOM 360 N LEU A 23 -22.941 -13.854 -11.297 1.00 0.00 N ATOM 361 CA LEU A 23 -23.977 -12.953 -11.794 1.00 0.00 C ATOM 362 C LEU A 23 -24.380 -11.964 -10.710 1.00 0.00 C ATOM 363 O LEU A 23 -24.402 -10.753 -10.934 1.00 0.00 O ATOM 364 CB LEU A 23 -25.209 -13.732 -12.266 1.00 0.00 C ATOM 365 CG LEU A 23 -24.930 -15.115 -12.856 1.00 0.00 C ATOM 366 CD1 LEU A 23 -26.202 -15.711 -13.439 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.842 -15.039 -13.916 1.00 0.00 C ATOM 0 H LEU A 23 -23.239 -14.823 -11.185 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.566 -12.410 -12.645 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.889 -13.847 -11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.729 -13.135 -13.015 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.580 -15.765 -12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.985 -16.695 -13.855 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.952 -15.806 -12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.581 -15.060 -14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.660 -16.034 -14.322 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -24.161 -14.373 -14.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.925 -14.656 -13.469 1.00 0.00 H new ATOM 379 N ALA A 24 -24.685 -12.487 -9.530 1.00 0.00 N ATOM 380 CA ALA A 24 -25.076 -11.649 -8.403 1.00 0.00 C ATOM 381 C ALA A 24 -23.970 -10.657 -8.056 1.00 0.00 C ATOM 382 O ALA A 24 -24.229 -9.598 -7.486 1.00 0.00 O ATOM 383 CB ALA A 24 -25.423 -12.509 -7.196 1.00 0.00 C ATOM 0 H ALA A 24 -24.669 -13.487 -9.328 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.962 -11.082 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.713 -11.868 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -26.250 -13.173 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.555 -13.103 -6.911 1.00 0.00 H new ATOM 389 N LYS A 25 -22.737 -11.002 -8.417 1.00 0.00 N ATOM 390 CA LYS A 25 -21.595 -10.136 -8.159 1.00 0.00 C ATOM 391 C LYS A 25 -21.546 -9.003 -9.178 1.00 0.00 C ATOM 392 O LYS A 25 -21.118 -7.892 -8.867 1.00 0.00 O ATOM 393 CB LYS A 25 -20.294 -10.940 -8.204 1.00 0.00 C ATOM 394 CG LYS A 25 -19.085 -10.169 -7.698 1.00 0.00 C ATOM 395 CD LYS A 25 -17.898 -11.088 -7.463 1.00 0.00 C ATOM 396 CE LYS A 25 -16.591 -10.422 -7.863 1.00 0.00 C ATOM 397 NZ LYS A 25 -15.407 -11.228 -7.452 1.00 0.00 N ATOM 0 H LYS A 25 -22.505 -11.876 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.707 -9.707 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.414 -11.844 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.108 -11.258 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.814 -9.400 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.340 -9.658 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.857 -11.370 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.029 -12.007 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.574 -10.276 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.533 -9.434 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.536 -10.739 -7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.409 -11.346 -6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.448 -12.162 -7.907 1.00 0.00 H new ATOM 411 N LEU A 26 -21.996 -9.292 -10.396 1.00 0.00 N ATOM 412 CA LEU A 26 -22.015 -8.298 -11.463 1.00 0.00 C ATOM 413 C LEU A 26 -23.230 -7.382 -11.328 1.00 0.00 C ATOM 414 O LEU A 26 -24.033 -7.258 -12.254 1.00 0.00 O ATOM 415 CB LEU A 26 -22.028 -8.989 -12.829 1.00 0.00 C ATOM 416 CG LEU A 26 -20.648 -9.306 -13.409 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.613 -10.722 -13.966 1.00 0.00 C ATOM 418 CD2 LEU A 26 -20.276 -8.298 -14.487 1.00 0.00 C ATOM 0 H LEU A 26 -22.353 -10.208 -10.668 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.114 -7.690 -11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.591 -9.918 -12.743 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.565 -8.355 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.915 -9.236 -12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.623 -10.928 -14.374 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.832 -11.432 -13.169 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.358 -10.821 -14.755 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.291 -8.540 -14.887 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -21.013 -8.335 -15.289 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.257 -7.296 -14.057 1.00 0.00 H new ATOM 592 N PRO A 36 -30.624 -13.666 -19.258 1.00 0.00 N ATOM 593 CA PRO A 36 -29.398 -13.970 -19.995 1.00 0.00 C ATOM 594 C PRO A 36 -29.227 -15.472 -20.191 1.00 0.00 C ATOM 595 O PRO A 36 -29.754 -16.269 -19.415 1.00 0.00 O ATOM 596 CB PRO A 36 -28.309 -13.416 -19.082 1.00 0.00 C ATOM 597 CG PRO A 36 -28.862 -13.592 -17.709 1.00 0.00 C ATOM 598 CD PRO A 36 -30.355 -13.401 -17.830 1.00 0.00 C ATOM 0 HA PRO A 36 -29.385 -13.543 -20.998 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.371 -13.957 -19.206 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.103 -12.368 -19.298 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.626 -14.582 -17.318 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.431 -12.866 -17.019 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -30.901 -14.089 -17.185 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -30.655 -12.392 -17.546 1.00 0.00 H new ATOM 606 N HIS A 37 -28.501 -15.857 -21.236 1.00 0.00 N ATOM 607 CA HIS A 37 -28.285 -17.271 -21.524 1.00 0.00 C ATOM 608 C HIS A 37 -26.824 -17.562 -21.842 1.00 0.00 C ATOM 609 O HIS A 37 -26.218 -16.916 -22.697 1.00 0.00 O ATOM 610 CB HIS A 37 -29.165 -17.711 -22.695 1.00 0.00 C ATOM 611 CG HIS A 37 -29.673 -19.114 -22.567 1.00 0.00 C ATOM 612 ND1 HIS A 37 -30.873 -19.532 -23.103 1.00 0.00 N ATOM 613 CD2 HIS A 37 -29.135 -20.199 -21.961 1.00 0.00 C ATOM 614 CE1 HIS A 37 -31.051 -20.812 -22.832 1.00 0.00 C ATOM 615 NE2 HIS A 37 -30.010 -21.241 -22.141 1.00 0.00 N ATOM 0 H HIS A 37 -28.056 -15.216 -21.893 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.556 -17.834 -20.631 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -30.014 -17.032 -22.776 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.596 -17.622 -23.620 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -31.522 -18.944 -23.627 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -28.193 -20.237 -21.434 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -31.903 -21.407 -23.125 1.00 0.00 H new ATOM 624 N ILE A 38 -26.269 -18.551 -21.150 1.00 0.00 N ATOM 625 CA ILE A 38 -24.882 -18.951 -21.353 1.00 0.00 C ATOM 626 C ILE A 38 -24.802 -20.414 -21.775 1.00 0.00 C ATOM 627 O ILE A 38 -25.480 -21.271 -21.210 1.00 0.00 O ATOM 628 CB ILE A 38 -24.043 -18.746 -20.076 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.212 -17.319 -19.554 1.00 0.00 C ATOM 630 CG2 ILE A 38 -22.577 -19.048 -20.347 1.00 0.00 C ATOM 631 CD1 ILE A 38 -25.520 -17.090 -18.828 1.00 0.00 C ATOM 0 H ILE A 38 -26.762 -19.093 -20.440 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.476 -18.319 -22.143 1.00 0.00 H new ATOM 0 HB ILE A 38 -24.398 -19.438 -19.312 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -23.387 -17.087 -18.880 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.144 -16.624 -20.391 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.000 -18.898 -19.435 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.473 -20.082 -20.676 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.206 -18.381 -21.125 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -25.570 -16.056 -18.486 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -26.351 -17.289 -19.504 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -25.582 -17.759 -17.970 1.00 0.00 H new ATOM 643 N ILE A 39 -23.974 -20.696 -22.776 1.00 0.00 N ATOM 644 CA ILE A 39 -23.815 -22.056 -23.272 1.00 0.00 C ATOM 645 C ILE A 39 -22.398 -22.567 -23.039 1.00 0.00 C ATOM 646 O ILE A 39 -21.433 -21.804 -23.093 1.00 0.00 O ATOM 647 CB ILE A 39 -24.143 -22.150 -24.773 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.479 -21.465 -25.070 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.176 -23.605 -25.217 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.713 -21.209 -26.543 1.00 0.00 C ATOM 0 H ILE A 39 -23.404 -20.001 -23.258 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.517 -22.677 -22.715 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.362 -21.637 -25.334 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.289 -22.084 -24.684 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -25.519 -20.517 -24.534 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.409 -23.656 -26.281 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.203 -24.063 -25.037 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -24.939 -24.140 -24.652 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.678 -20.722 -26.679 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.924 -20.565 -26.930 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -25.706 -22.156 -27.083 1.00 0.00 H new ATOM 662 N LEU A 40 -22.282 -23.865 -22.784 1.00 0.00 N ATOM 663 CA LEU A 40 -20.987 -24.492 -22.544 1.00 0.00 C ATOM 664 C LEU A 40 -20.712 -25.580 -23.577 1.00 0.00 C ATOM 665 O LEU A 40 -21.540 -26.462 -23.802 1.00 0.00 O ATOM 666 CB LEU A 40 -20.938 -25.089 -21.136 1.00 0.00 C ATOM 667 CG LEU A 40 -21.580 -24.230 -20.045 1.00 0.00 C ATOM 668 CD1 LEU A 40 -22.061 -25.100 -18.894 1.00 0.00 C ATOM 669 CD2 LEU A 40 -20.598 -23.180 -19.549 1.00 0.00 C ATOM 0 H LEU A 40 -23.073 -24.507 -22.738 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.218 -23.725 -22.633 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.434 -26.059 -21.152 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.896 -25.268 -20.870 1.00 0.00 H new ATOM 0 HG LEU A 40 -22.443 -23.719 -20.471 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -22.515 -24.471 -18.128 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.798 -25.814 -19.261 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.215 -25.639 -18.467 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -21.071 -22.577 -18.773 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -19.716 -23.672 -19.139 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.303 -22.537 -20.378 1.00 0.00 H new ATOM 681 N SER A 41 -19.541 -25.505 -24.201 1.00 0.00 N ATOM 682 CA SER A 41 -19.146 -26.476 -25.213 1.00 0.00 C ATOM 683 C SER A 41 -17.798 -27.101 -24.865 1.00 0.00 C ATOM 684 O SER A 41 -17.276 -26.907 -23.767 1.00 0.00 O ATOM 685 CB SER A 41 -19.071 -25.810 -26.588 1.00 0.00 C ATOM 686 OG SER A 41 -20.232 -25.040 -26.846 1.00 0.00 O ATOM 0 H SER A 41 -18.847 -24.779 -24.022 1.00 0.00 H new ATOM 0 HA SER A 41 -19.899 -27.264 -25.240 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.189 -25.172 -26.639 1.00 0.00 H new ATOM 0 HB3 SER A 41 -18.958 -26.572 -27.359 1.00 0.00 H new ATOM 0 HG SER A 41 -20.159 -24.623 -27.730 1.00 0.00 H new ATOM 692 N LYS A 42 -17.241 -27.854 -25.808 1.00 0.00 N ATOM 693 CA LYS A 42 -15.956 -28.513 -25.604 1.00 0.00 C ATOM 694 C LYS A 42 -15.476 -29.170 -26.891 1.00 0.00 C ATOM 695 O LYS A 42 -16.270 -29.679 -27.681 1.00 0.00 O ATOM 696 CB LYS A 42 -16.073 -29.563 -24.495 1.00 0.00 C ATOM 697 CG LYS A 42 -14.785 -30.336 -24.240 1.00 0.00 C ATOM 698 CD LYS A 42 -15.066 -31.711 -23.653 1.00 0.00 C ATOM 699 CE LYS A 42 -14.549 -32.821 -24.555 1.00 0.00 C ATOM 700 NZ LYS A 42 -15.188 -32.788 -25.899 1.00 0.00 N ATOM 0 H LYS A 42 -17.660 -28.023 -26.722 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.227 -27.758 -25.308 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.378 -29.070 -23.572 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.863 -30.267 -24.757 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.233 -30.444 -25.174 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.150 -29.771 -23.558 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.598 -31.791 -22.672 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.139 -31.832 -23.505 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.469 -32.726 -24.664 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.738 -33.787 -24.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.589 -33.296 -26.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.121 -33.244 -25.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.301 -31.801 -26.206 1.00 0.00 H new ATOM 714 N GLU A 43 -14.165 -29.169 -27.079 1.00 0.00 N ATOM 715 CA GLU A 43 -13.548 -29.775 -28.248 1.00 0.00 C ATOM 716 C GLU A 43 -12.408 -30.678 -27.801 1.00 0.00 C ATOM 717 O GLU A 43 -12.036 -30.674 -26.628 1.00 0.00 O ATOM 718 CB GLU A 43 -13.032 -28.700 -29.207 1.00 0.00 C ATOM 719 CG GLU A 43 -13.980 -27.523 -29.370 1.00 0.00 C ATOM 720 CD GLU A 43 -13.815 -26.822 -30.703 1.00 0.00 C ATOM 721 OE1 GLU A 43 -14.376 -27.312 -31.706 1.00 0.00 O ATOM 722 OE2 GLU A 43 -13.123 -25.782 -30.746 1.00 0.00 O ATOM 0 H GLU A 43 -13.501 -28.750 -26.428 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.294 -30.367 -28.778 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.071 -28.334 -28.846 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.855 -29.151 -30.183 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.008 -27.873 -29.272 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.809 -26.809 -28.565 1.00 0.00 H new ATOM 729 N PRO A 44 -11.838 -31.478 -28.714 1.00 0.00 N ATOM 730 CA PRO A 44 -10.746 -32.388 -28.367 1.00 0.00 C ATOM 731 C PRO A 44 -9.615 -31.682 -27.637 1.00 0.00 C ATOM 732 O PRO A 44 -8.807 -32.311 -26.955 1.00 0.00 O ATOM 733 CB PRO A 44 -10.280 -32.920 -29.715 1.00 0.00 C ATOM 734 CG PRO A 44 -11.477 -32.811 -30.595 1.00 0.00 C ATOM 735 CD PRO A 44 -12.211 -31.579 -30.137 1.00 0.00 C ATOM 0 HA PRO A 44 -11.070 -33.173 -27.683 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.446 -32.336 -30.105 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.938 -33.952 -29.637 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.186 -32.726 -31.642 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.107 -33.696 -30.510 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.905 -30.696 -30.698 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.289 -31.681 -30.265 1.00 0.00 H new ATOM 743 N GLN A 45 -9.580 -30.370 -27.775 1.00 0.00 N ATOM 744 CA GLN A 45 -8.575 -29.560 -27.125 1.00 0.00 C ATOM 745 C GLN A 45 -9.024 -29.210 -25.718 1.00 0.00 C ATOM 746 O GLN A 45 -8.570 -29.805 -24.741 1.00 0.00 O ATOM 747 CB GLN A 45 -8.305 -28.289 -27.936 1.00 0.00 C ATOM 748 CG GLN A 45 -6.902 -28.227 -28.520 1.00 0.00 C ATOM 749 CD GLN A 45 -6.103 -27.049 -27.996 1.00 0.00 C ATOM 750 OE1 GLN A 45 -5.389 -27.161 -26.999 1.00 0.00 O ATOM 751 NE2 GLN A 45 -6.219 -25.910 -28.669 1.00 0.00 N ATOM 0 H GLN A 45 -10.245 -29.841 -28.339 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.647 -30.129 -27.066 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.030 -28.224 -28.747 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.463 -27.420 -27.297 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.374 -29.152 -28.287 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.967 -28.163 -29.606 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.822 -25.862 -29.490 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.705 -25.083 -28.365 1.00 0.00 H new ATOM 760 N GLY A 46 -9.907 -28.232 -25.624 1.00 0.00 N ATOM 761 CA GLY A 46 -10.399 -27.798 -24.331 1.00 0.00 C ATOM 762 C GLY A 46 -11.875 -27.463 -24.351 1.00 0.00 C ATOM 763 O GLY A 46 -12.625 -27.983 -25.177 1.00 0.00 O ATOM 0 H GLY A 46 -10.295 -27.727 -26.421 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.218 -28.582 -23.596 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.836 -26.922 -24.008 1.00 0.00 H new ATOM 767 N PHE A 47 -12.300 -26.598 -23.433 1.00 0.00 N ATOM 768 CA PHE A 47 -13.704 -26.209 -23.348 1.00 0.00 C ATOM 769 C PHE A 47 -13.943 -24.774 -23.786 1.00 0.00 C ATOM 770 O PHE A 47 -13.073 -23.910 -23.670 1.00 0.00 O ATOM 771 CB PHE A 47 -14.212 -26.410 -21.929 1.00 0.00 C ATOM 772 CG PHE A 47 -13.890 -27.770 -21.415 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.613 -28.062 -20.978 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.849 -28.761 -21.399 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.295 -29.321 -20.530 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.542 -30.027 -20.947 1.00 0.00 C ATOM 777 CZ PHE A 47 -13.261 -30.311 -20.512 1.00 0.00 C ATOM 0 H PHE A 47 -11.695 -26.155 -22.741 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.256 -26.849 -24.036 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.769 -25.659 -21.274 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.291 -26.258 -21.904 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.856 -27.292 -20.989 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.849 -28.544 -21.744 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.292 -29.538 -20.192 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.301 -30.795 -20.933 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.015 -31.302 -20.159 1.00 0.00 H new ATOM 787 N VAL A 48 -15.147 -24.547 -24.294 1.00 0.00 N ATOM 788 CA VAL A 48 -15.558 -23.237 -24.769 1.00 0.00 C ATOM 789 C VAL A 48 -16.841 -22.793 -24.069 1.00 0.00 C ATOM 790 O VAL A 48 -17.722 -23.604 -23.797 1.00 0.00 O ATOM 791 CB VAL A 48 -15.781 -23.258 -26.296 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.447 -21.972 -26.773 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.463 -23.480 -27.020 1.00 0.00 C ATOM 0 H VAL A 48 -15.864 -25.266 -24.387 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.763 -22.529 -24.537 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.450 -24.086 -26.529 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.591 -22.016 -27.853 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.414 -21.859 -26.282 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.813 -21.121 -26.526 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.637 -23.492 -28.096 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.772 -22.674 -26.773 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.034 -24.433 -26.711 1.00 0.00 H new ATOM 803 N ALA A 49 -16.937 -21.500 -23.775 1.00 0.00 N ATOM 804 CA ALA A 49 -18.114 -20.958 -23.104 1.00 0.00 C ATOM 805 C ALA A 49 -18.610 -19.693 -23.795 1.00 0.00 C ATOM 806 O ALA A 49 -17.852 -18.744 -23.990 1.00 0.00 O ATOM 807 CB ALA A 49 -17.802 -20.676 -21.642 1.00 0.00 C ATOM 0 H ALA A 49 -16.217 -20.810 -23.990 1.00 0.00 H new ATOM 0 HA ALA A 49 -18.908 -21.703 -23.159 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.688 -20.272 -21.152 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.505 -21.601 -21.148 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -16.989 -19.952 -21.576 1.00 0.00 H new ATOM 813 N ASP A 50 -19.890 -19.684 -24.159 1.00 0.00 N ATOM 814 CA ASP A 50 -20.487 -18.530 -24.823 1.00 0.00 C ATOM 815 C ASP A 50 -21.625 -17.958 -23.984 1.00 0.00 C ATOM 816 O ASP A 50 -22.284 -18.687 -23.245 1.00 0.00 O ATOM 817 CB ASP A 50 -21.009 -18.922 -26.205 1.00 0.00 C ATOM 818 CG ASP A 50 -19.903 -19.012 -27.238 1.00 0.00 C ATOM 819 OD1 ASP A 50 -18.818 -19.529 -26.902 1.00 0.00 O ATOM 820 OD2 ASP A 50 -20.123 -18.565 -28.384 1.00 0.00 O ATOM 0 H ASP A 50 -20.532 -20.462 -24.005 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.717 -17.767 -24.938 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.519 -19.883 -26.138 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.749 -18.191 -26.532 1.00 0.00 H new ATOM 825 N ALA A 51 -21.851 -16.655 -24.095 1.00 0.00 N ATOM 826 CA ALA A 51 -22.915 -16.008 -23.335 1.00 0.00 C ATOM 827 C ALA A 51 -23.537 -14.852 -24.110 1.00 0.00 C ATOM 828 O ALA A 51 -22.838 -14.095 -24.783 1.00 0.00 O ATOM 829 CB ALA A 51 -22.383 -15.517 -21.997 1.00 0.00 C ATOM 0 H ALA A 51 -21.317 -16.029 -24.698 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.695 -16.749 -23.161 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.187 -15.036 -21.440 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.001 -16.362 -21.425 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.580 -14.800 -22.166 1.00 0.00 H new ATOM 835 N THR A 52 -24.855 -14.713 -24.000 1.00 0.00 N ATOM 836 CA THR A 52 -25.567 -13.639 -24.683 1.00 0.00 C ATOM 837 C THR A 52 -26.579 -13.001 -23.739 1.00 0.00 C ATOM 838 O THR A 52 -27.353 -13.702 -23.088 1.00 0.00 O ATOM 839 CB THR A 52 -26.275 -14.174 -25.927 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.458 -15.110 -26.607 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.650 -13.090 -26.914 1.00 0.00 C ATOM 0 H THR A 52 -25.450 -15.329 -23.446 1.00 0.00 H new ATOM 0 HA THR A 52 -24.844 -12.884 -24.992 1.00 0.00 H new ATOM 0 HB THR A 52 -27.189 -14.642 -25.560 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.930 -15.441 -27.399 1.00 0.00 H new ATOM 0 HG21 THR A 52 -27.149 -13.537 -27.774 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.322 -12.378 -26.435 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.750 -12.573 -27.246 1.00 0.00 H new ATOM 849 N ILE A 53 -26.571 -11.676 -23.656 1.00 0.00 N ATOM 850 CA ILE A 53 -27.496 -10.974 -22.776 1.00 0.00 C ATOM 851 C ILE A 53 -28.171 -9.805 -23.482 1.00 0.00 C ATOM 852 O ILE A 53 -27.532 -9.050 -24.215 1.00 0.00 O ATOM 853 CB ILE A 53 -26.783 -10.453 -21.512 1.00 0.00 C ATOM 854 CG1 ILE A 53 -25.876 -11.537 -20.925 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.806 -9.997 -20.483 1.00 0.00 C ATOM 856 CD1 ILE A 53 -24.856 -11.007 -19.941 1.00 0.00 C ATOM 0 H ILE A 53 -25.940 -11.071 -24.182 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.257 -11.699 -22.488 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.163 -9.600 -21.787 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -26.493 -12.285 -20.428 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.355 -12.043 -21.738 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.291 -9.631 -19.595 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.415 -9.197 -20.905 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.447 -10.836 -20.211 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.249 -11.831 -19.567 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.214 -10.280 -20.439 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -25.369 -10.527 -19.108 1.00 0.00 H new ATOM 868 N ASN A 54 -29.469 -9.660 -23.240 1.00 0.00 N ATOM 869 CA ASN A 54 -30.256 -8.583 -23.828 1.00 0.00 C ATOM 870 C ASN A 54 -30.495 -7.472 -22.811 1.00 0.00 C ATOM 871 O ASN A 54 -31.107 -7.693 -21.766 1.00 0.00 O ATOM 872 CB ASN A 54 -31.598 -9.116 -24.333 1.00 0.00 C ATOM 873 CG ASN A 54 -31.446 -10.386 -25.146 1.00 0.00 C ATOM 874 OD1 ASN A 54 -30.461 -10.566 -25.862 1.00 0.00 O ATOM 875 ND2 ASN A 54 -32.426 -11.276 -25.042 1.00 0.00 N ATOM 0 H ASN A 54 -30.003 -10.283 -22.634 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.695 -8.175 -24.669 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.253 -9.308 -23.483 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.083 -8.353 -24.943 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -32.380 -12.149 -25.567 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -33.225 -11.087 -24.437 1.00 0.00 H new ATOM 882 N THR A 55 -30.012 -6.278 -23.132 1.00 0.00 N ATOM 883 CA THR A 55 -30.173 -5.125 -22.255 1.00 0.00 C ATOM 884 C THR A 55 -31.104 -4.096 -22.892 1.00 0.00 C ATOM 885 O THR A 55 -31.263 -4.064 -24.112 1.00 0.00 O ATOM 886 CB THR A 55 -28.816 -4.487 -21.954 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.372 -3.710 -23.052 1.00 0.00 O ATOM 888 CG2 THR A 55 -27.735 -5.498 -21.639 1.00 0.00 C ATOM 0 H THR A 55 -29.505 -6.083 -23.995 1.00 0.00 H new ATOM 0 HA THR A 55 -30.615 -5.467 -21.319 1.00 0.00 H new ATOM 0 HB THR A 55 -28.978 -3.867 -21.072 1.00 0.00 H new ATOM 0 HG1 THR A 55 -28.923 -3.909 -23.838 1.00 0.00 H new ATOM 0 HG21 THR A 55 -26.799 -4.978 -21.435 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.025 -6.080 -20.764 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.602 -6.165 -22.490 1.00 0.00 H new ATOM 896 N PRO A 56 -31.739 -3.242 -22.073 1.00 0.00 N ATOM 897 CA PRO A 56 -32.661 -2.214 -22.568 1.00 0.00 C ATOM 898 C PRO A 56 -31.969 -1.184 -23.459 1.00 0.00 C ATOM 899 O PRO A 56 -32.629 -0.412 -24.154 1.00 0.00 O ATOM 900 CB PRO A 56 -33.190 -1.545 -21.292 1.00 0.00 C ATOM 901 CG PRO A 56 -32.868 -2.493 -20.186 1.00 0.00 C ATOM 902 CD PRO A 56 -31.619 -3.210 -20.607 1.00 0.00 C ATOM 0 HA PRO A 56 -33.444 -2.649 -23.190 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -32.716 -0.577 -21.130 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.263 -1.367 -21.357 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -32.715 -1.960 -19.248 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -33.685 -3.196 -20.024 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -30.722 -2.681 -20.286 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -31.566 -4.213 -20.184 1.00 0.00 H new ATOM 910 N ASN A 57 -30.638 -1.169 -23.431 1.00 0.00 N ATOM 911 CA ASN A 57 -29.870 -0.224 -24.234 1.00 0.00 C ATOM 912 C ASN A 57 -28.948 -0.943 -25.217 1.00 0.00 C ATOM 913 O ASN A 57 -27.947 -0.382 -25.662 1.00 0.00 O ATOM 914 CB ASN A 57 -29.045 0.689 -23.327 1.00 0.00 C ATOM 915 CG ASN A 57 -29.912 1.603 -22.484 1.00 0.00 C ATOM 916 OD1 ASN A 57 -30.570 1.161 -21.543 1.00 0.00 O ATOM 917 ND2 ASN A 57 -29.916 2.888 -22.820 1.00 0.00 N ATOM 0 H ASN A 57 -30.072 -1.799 -22.863 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.578 0.374 -24.808 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.421 0.079 -22.673 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.373 1.292 -23.938 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -30.480 3.552 -22.290 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -29.355 3.211 -23.608 1.00 0.00 H new ATOM 924 N GLY A 58 -29.289 -2.182 -25.556 1.00 0.00 N ATOM 925 CA GLY A 58 -28.474 -2.942 -26.489 1.00 0.00 C ATOM 926 C GLY A 58 -28.272 -4.381 -26.059 1.00 0.00 C ATOM 927 O GLY A 58 -28.956 -4.870 -25.162 1.00 0.00 O ATOM 0 H GLY A 58 -30.111 -2.673 -25.204 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.944 -2.924 -27.472 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.502 -2.459 -26.592 1.00 0.00 H new ATOM 931 N VAL A 59 -27.330 -5.059 -26.707 1.00 0.00 N ATOM 932 CA VAL A 59 -27.035 -6.452 -26.393 1.00 0.00 C ATOM 933 C VAL A 59 -25.530 -6.692 -26.329 1.00 0.00 C ATOM 934 O VAL A 59 -24.766 -6.115 -27.102 1.00 0.00 O ATOM 935 CB VAL A 59 -27.652 -7.405 -27.435 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.561 -8.847 -26.962 1.00 0.00 C ATOM 937 CG2 VAL A 59 -29.096 -7.021 -27.722 1.00 0.00 C ATOM 0 H VAL A 59 -26.757 -4.665 -27.454 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.476 -6.658 -25.418 1.00 0.00 H new ATOM 0 HB VAL A 59 -27.085 -7.315 -28.362 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -28.002 -9.504 -27.711 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.515 -9.116 -26.814 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -28.101 -8.956 -26.021 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -29.515 -7.705 -28.460 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.678 -7.079 -26.802 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -29.132 -6.003 -28.110 1.00 0.00 H new ATOM 947 N LEU A 60 -25.109 -7.544 -25.398 1.00 0.00 N ATOM 948 CA LEU A 60 -23.694 -7.854 -25.230 1.00 0.00 C ATOM 949 C LEU A 60 -23.418 -9.328 -25.507 1.00 0.00 C ATOM 950 O LEU A 60 -24.292 -10.178 -25.338 1.00 0.00 O ATOM 951 CB LEU A 60 -23.234 -7.494 -23.816 1.00 0.00 C ATOM 952 CG LEU A 60 -23.569 -6.070 -23.369 1.00 0.00 C ATOM 953 CD1 LEU A 60 -23.255 -5.887 -21.893 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.806 -5.057 -24.207 1.00 0.00 C ATOM 0 H LEU A 60 -25.728 -8.031 -24.749 1.00 0.00 H new ATOM 0 HA LEU A 60 -23.133 -7.259 -25.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.686 -8.195 -23.114 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.155 -7.633 -23.755 1.00 0.00 H new ATOM 0 HG LEU A 60 -24.636 -5.904 -23.516 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -23.500 -4.868 -21.593 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -23.845 -6.590 -21.306 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -22.195 -6.071 -21.721 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -23.056 -4.049 -23.876 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -21.735 -5.222 -24.091 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -23.079 -5.173 -25.256 1.00 0.00 H new ATOM 966 N VAL A 61 -22.193 -9.621 -25.935 1.00 0.00 N ATOM 967 CA VAL A 61 -21.793 -10.989 -26.238 1.00 0.00 C ATOM 968 C VAL A 61 -20.372 -11.264 -25.757 1.00 0.00 C ATOM 969 O VAL A 61 -19.521 -10.374 -25.766 1.00 0.00 O ATOM 970 CB VAL A 61 -21.875 -11.278 -27.749 1.00 0.00 C ATOM 971 CG1 VAL A 61 -21.650 -12.756 -28.023 1.00 0.00 C ATOM 972 CG2 VAL A 61 -23.215 -10.821 -28.307 1.00 0.00 C ATOM 0 H VAL A 61 -21.460 -8.927 -26.080 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.487 -11.645 -25.712 1.00 0.00 H new ATOM 0 HB VAL A 61 -21.088 -10.716 -28.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.712 -12.941 -29.095 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.664 -13.047 -27.661 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -22.413 -13.341 -27.510 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -23.256 -11.033 -29.375 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -24.020 -11.353 -27.801 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -23.330 -9.749 -28.145 1.00 0.00 H new ATOM 982 N ALA A 62 -20.123 -12.499 -25.338 1.00 0.00 N ATOM 983 CA ALA A 62 -18.805 -12.892 -24.852 1.00 0.00 C ATOM 984 C ALA A 62 -18.569 -14.385 -25.045 1.00 0.00 C ATOM 985 O ALA A 62 -19.508 -15.182 -25.047 1.00 0.00 O ATOM 986 CB ALA A 62 -18.646 -12.514 -23.387 1.00 0.00 C ATOM 0 H ALA A 62 -20.817 -13.246 -25.325 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.057 -12.356 -25.436 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.657 -12.814 -23.039 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.758 -11.436 -23.275 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.408 -13.021 -22.796 1.00 0.00 H new ATOM 992 N SER A 63 -17.304 -14.750 -25.225 1.00 0.00 N ATOM 993 CA SER A 63 -16.936 -16.146 -25.439 1.00 0.00 C ATOM 994 C SER A 63 -15.583 -16.476 -24.814 1.00 0.00 C ATOM 995 O SER A 63 -14.740 -15.599 -24.623 1.00 0.00 O ATOM 996 CB SER A 63 -16.901 -16.455 -26.936 1.00 0.00 C ATOM 997 OG SER A 63 -15.852 -15.753 -27.579 1.00 0.00 O ATOM 0 H SER A 63 -16.517 -14.101 -25.227 1.00 0.00 H new ATOM 0 HA SER A 63 -17.691 -16.764 -24.953 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.770 -17.527 -27.086 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.855 -16.184 -27.389 1.00 0.00 H new ATOM 0 HG SER A 63 -15.851 -15.970 -28.535 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.382 -17.758 -24.516 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.132 -18.216 -23.936 1.00 0.00 C ATOM 1005 C GLY A 64 -13.763 -19.594 -24.454 1.00 0.00 C ATOM 1006 O GLY A 64 -14.645 -20.400 -24.741 1.00 0.00 O ATOM 0 H GLY A 64 -16.072 -18.494 -24.668 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.337 -17.510 -24.174 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.220 -18.244 -22.850 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.469 -19.864 -24.595 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.017 -21.157 -25.109 1.00 0.00 C ATOM 1012 C LYS A 65 -10.769 -21.656 -24.387 1.00 0.00 C ATOM 1013 O LYS A 65 -9.841 -22.166 -25.017 1.00 0.00 O ATOM 1014 CB LYS A 65 -11.740 -21.061 -26.610 1.00 0.00 C ATOM 1015 CG LYS A 65 -12.969 -20.732 -27.442 1.00 0.00 C ATOM 1016 CD LYS A 65 -12.726 -19.540 -28.355 1.00 0.00 C ATOM 1017 CE LYS A 65 -13.820 -19.407 -29.401 1.00 0.00 C ATOM 1018 NZ LYS A 65 -13.932 -18.014 -29.914 1.00 0.00 N ATOM 0 H LYS A 65 -11.719 -19.213 -24.364 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.817 -21.875 -24.927 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.982 -20.297 -26.782 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.323 -22.007 -26.954 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.246 -21.599 -28.041 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.810 -20.519 -26.782 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.678 -18.628 -27.760 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.760 -19.650 -28.849 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.613 -20.084 -30.230 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.773 -19.713 -28.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.689 -17.966 -30.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.154 -17.371 -29.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.031 -17.731 -30.348 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.756 -21.532 -23.067 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.622 -21.999 -22.277 1.00 0.00 C ATOM 1034 C HIS A 66 -9.659 -23.519 -22.138 1.00 0.00 C ATOM 1035 O HIS A 66 -10.722 -24.136 -22.235 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.606 -21.345 -20.894 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.261 -21.388 -20.234 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -7.982 -22.165 -19.129 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.110 -20.739 -20.533 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.720 -21.991 -18.777 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.170 -21.132 -19.612 1.00 0.00 N ATOM 0 H HIS A 66 -11.511 -21.115 -22.523 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.709 -21.713 -22.800 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.924 -20.307 -20.987 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.333 -21.845 -20.255 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.960 -20.042 -21.344 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.224 -22.471 -17.946 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.202 -20.811 -19.579 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.498 -24.121 -21.911 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.405 -25.569 -21.758 1.00 0.00 C ATOM 1052 C GLU A 67 -9.226 -26.055 -20.567 1.00 0.00 C ATOM 1053 O GLU A 67 -9.671 -27.202 -20.535 1.00 0.00 O ATOM 1054 CB GLU A 67 -6.944 -25.988 -21.584 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.006 -25.368 -22.608 1.00 0.00 C ATOM 1056 CD GLU A 67 -4.726 -26.162 -22.780 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.236 -26.723 -21.779 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -4.214 -26.222 -23.918 1.00 0.00 O ATOM 0 H GLU A 67 -7.608 -23.630 -21.829 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.809 -26.027 -22.661 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.612 -25.710 -20.584 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.876 -27.074 -21.652 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.517 -25.297 -23.568 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.760 -24.351 -22.302 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.415 -25.180 -19.583 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.171 -25.530 -18.384 1.00 0.00 C ATOM 1067 C ASP A 68 -11.615 -25.044 -18.473 1.00 0.00 C ATOM 1068 O ASP A 68 -11.874 -23.856 -18.668 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.498 -24.940 -17.144 1.00 0.00 C ATOM 1070 CG ASP A 68 -10.202 -25.335 -15.860 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -11.327 -24.845 -15.625 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -9.629 -26.133 -15.090 1.00 0.00 O ATOM 0 H ASP A 68 -9.056 -24.225 -19.592 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.185 -26.617 -18.305 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.461 -25.273 -17.104 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.481 -23.853 -17.226 1.00 0.00 H new ATOM 1077 N MET A 69 -12.550 -25.979 -18.326 1.00 0.00 N ATOM 1078 CA MET A 69 -13.979 -25.672 -18.382 1.00 0.00 C ATOM 1079 C MET A 69 -14.335 -24.470 -17.509 1.00 0.00 C ATOM 1080 O MET A 69 -15.014 -23.545 -17.954 1.00 0.00 O ATOM 1081 CB MET A 69 -14.791 -26.889 -17.934 1.00 0.00 C ATOM 1082 CG MET A 69 -16.275 -26.777 -18.245 1.00 0.00 C ATOM 1083 SD MET A 69 -17.311 -27.498 -16.958 1.00 0.00 S ATOM 1084 CE MET A 69 -18.927 -26.906 -17.452 1.00 0.00 C ATOM 0 H MET A 69 -12.342 -26.965 -18.166 1.00 0.00 H new ATOM 0 HA MET A 69 -14.223 -25.422 -19.415 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.393 -27.780 -18.419 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.662 -27.026 -16.860 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.537 -25.727 -18.371 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.482 -27.273 -19.193 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.390 -26.375 -16.620 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.823 -26.230 -18.301 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.553 -27.752 -17.736 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.885 -24.503 -16.257 1.00 0.00 N ATOM 1095 CA TYR A 70 -14.170 -23.429 -15.309 1.00 0.00 C ATOM 1096 C TYR A 70 -13.494 -22.123 -15.717 1.00 0.00 C ATOM 1097 O TYR A 70 -14.066 -21.044 -15.558 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.718 -23.833 -13.905 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.607 -24.872 -13.259 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -15.785 -24.507 -12.622 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -14.266 -26.219 -13.287 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -16.600 -25.453 -12.031 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -15.075 -27.172 -12.698 1.00 0.00 C ATOM 1104 CZ TYR A 70 -16.240 -26.784 -12.072 1.00 0.00 C ATOM 1105 OH TYR A 70 -17.049 -27.730 -11.484 1.00 0.00 O ATOM 0 H TYR A 70 -13.321 -25.262 -15.875 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.247 -23.263 -15.311 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.700 -24.219 -13.957 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.690 -22.946 -13.272 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.069 -23.466 -12.588 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.354 -26.526 -13.777 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.514 -25.152 -11.540 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.796 -28.215 -12.728 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.653 -28.619 -11.603 1.00 0.00 H new ATOM 1115 N THR A 71 -12.275 -22.221 -16.236 1.00 0.00 N ATOM 1116 CA THR A 71 -11.534 -21.037 -16.656 1.00 0.00 C ATOM 1117 C THR A 71 -12.237 -20.341 -17.816 1.00 0.00 C ATOM 1118 O THR A 71 -12.343 -19.115 -17.842 1.00 0.00 O ATOM 1119 CB THR A 71 -10.110 -21.416 -17.058 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.432 -22.034 -15.979 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.277 -20.233 -17.506 1.00 0.00 C ATOM 0 H THR A 71 -11.781 -23.103 -16.375 1.00 0.00 H new ATOM 0 HA THR A 71 -11.492 -20.347 -15.814 1.00 0.00 H new ATOM 0 HB THR A 71 -10.221 -22.100 -17.899 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.482 -22.126 -16.200 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.278 -20.573 -17.777 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.747 -19.763 -18.370 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.206 -19.510 -16.694 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.721 -21.128 -18.772 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.421 -20.578 -19.926 1.00 0.00 C ATOM 1131 C ALA A 72 -14.668 -19.823 -19.484 1.00 0.00 C ATOM 1132 O ALA A 72 -14.908 -18.696 -19.917 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.782 -21.681 -20.909 1.00 0.00 C ATOM 0 H ALA A 72 -12.641 -22.145 -18.770 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.756 -19.877 -20.429 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.304 -21.250 -21.764 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.873 -22.176 -21.251 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.428 -22.409 -20.418 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.454 -20.443 -18.611 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.668 -19.817 -18.106 1.00 0.00 C ATOM 1141 C ILE A 73 -16.332 -18.515 -17.385 1.00 0.00 C ATOM 1142 O ILE A 73 -16.979 -17.489 -17.596 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.428 -20.754 -17.145 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -17.839 -22.038 -17.868 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.648 -20.055 -16.563 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -17.840 -23.260 -16.977 1.00 0.00 C ATOM 0 H ILE A 73 -15.272 -21.376 -18.240 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.309 -19.607 -18.962 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.762 -21.016 -16.323 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -18.835 -21.905 -18.289 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.160 -22.208 -18.703 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.169 -20.734 -15.888 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.332 -19.169 -16.013 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.318 -19.761 -17.370 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.141 -24.133 -17.557 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -16.839 -23.419 -16.576 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.541 -23.111 -16.155 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.306 -18.562 -16.542 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.873 -17.387 -15.798 1.00 0.00 C ATOM 1160 C ASN A 74 -14.354 -16.315 -16.753 1.00 0.00 C ATOM 1161 O ASN A 74 -14.602 -15.125 -16.561 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.785 -17.764 -14.790 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.326 -17.902 -13.380 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -14.113 -18.917 -12.718 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -15.032 -16.878 -12.914 1.00 0.00 N ATOM 0 H ASN A 74 -14.759 -19.403 -16.357 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.730 -16.988 -15.255 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.323 -18.704 -15.093 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.002 -17.005 -14.803 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.422 -16.914 -11.972 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.184 -16.056 -13.498 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.640 -16.750 -17.788 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.096 -15.829 -18.781 1.00 0.00 C ATOM 1174 C GLU A 75 -14.223 -15.147 -19.547 1.00 0.00 C ATOM 1175 O GLU A 75 -14.186 -13.936 -19.769 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.165 -16.569 -19.746 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.691 -16.326 -19.475 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.789 -17.157 -20.365 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -9.471 -16.699 -21.482 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -9.401 -18.268 -19.946 1.00 0.00 O ATOM 0 H GLU A 75 -13.425 -17.732 -17.960 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.518 -15.065 -18.262 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.366 -17.638 -19.683 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.394 -16.261 -20.766 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.468 -15.269 -19.623 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.475 -16.554 -18.431 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.232 -15.919 -19.937 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.371 -15.368 -20.658 1.00 0.00 C ATOM 1189 C LEU A 76 -16.977 -14.210 -19.868 1.00 0.00 C ATOM 1190 O LEU A 76 -17.058 -13.087 -20.367 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.417 -16.458 -20.923 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.828 -15.952 -21.249 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.327 -16.562 -22.548 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.789 -16.263 -20.110 1.00 0.00 C ATOM 0 H LEU A 76 -15.283 -16.923 -19.766 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.031 -14.988 -21.621 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.071 -17.076 -21.751 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.474 -17.103 -20.046 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.782 -14.870 -21.371 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.329 -16.191 -22.763 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.656 -16.285 -23.361 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.354 -17.648 -22.453 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.784 -15.895 -20.362 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -19.830 -17.341 -19.952 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.443 -15.776 -19.198 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.380 -14.480 -18.630 1.00 0.00 N ATOM 1207 CA ILE A 77 -17.952 -13.441 -17.781 1.00 0.00 C ATOM 1208 C ILE A 77 -16.964 -12.288 -17.625 1.00 0.00 C ATOM 1209 O ILE A 77 -17.365 -11.132 -17.492 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.345 -13.983 -16.392 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.253 -15.206 -16.534 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.033 -12.900 -15.572 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.066 -16.228 -15.434 1.00 0.00 C ATOM 0 H ILE A 77 -17.322 -15.401 -18.196 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.860 -13.084 -18.268 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.437 -14.285 -15.869 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.292 -14.878 -16.541 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.062 -15.681 -17.496 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.303 -13.300 -14.595 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.356 -12.055 -15.444 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.933 -12.568 -16.090 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.741 -17.067 -15.599 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.036 -16.584 -15.440 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.286 -15.769 -14.470 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.672 -12.603 -17.673 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.637 -11.585 -17.571 1.00 0.00 C ATOM 1227 C ASN A 78 -14.826 -10.557 -18.684 1.00 0.00 C ATOM 1228 O ASN A 78 -14.644 -9.356 -18.489 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.249 -12.237 -17.653 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.384 -11.699 -18.782 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -12.099 -10.503 -18.844 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -11.964 -12.585 -19.677 1.00 0.00 N ATOM 0 H ASN A 78 -15.320 -13.554 -17.782 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.715 -11.077 -16.610 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.730 -12.085 -16.706 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.370 -13.313 -17.781 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.380 -12.284 -20.457 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.226 -13.567 -19.585 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.218 -11.063 -19.845 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.474 -10.235 -21.018 1.00 0.00 C ATOM 1241 C LYS A 79 -16.796 -9.503 -20.857 1.00 0.00 C ATOM 1242 O LYS A 79 -16.958 -8.392 -21.360 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.481 -11.078 -22.293 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.093 -11.399 -22.818 1.00 0.00 C ATOM 1245 CD LYS A 79 -13.716 -12.849 -22.559 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.689 -13.348 -23.564 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.544 -14.028 -22.898 1.00 0.00 N ATOM 0 H LYS A 79 -15.368 -12.060 -20.002 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.671 -9.503 -21.105 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.011 -12.010 -22.099 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.039 -10.549 -23.065 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.053 -11.198 -23.889 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.363 -10.743 -22.343 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.316 -12.947 -21.550 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.609 -13.472 -22.610 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.167 -14.039 -24.259 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.320 -12.508 -24.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.867 -14.353 -23.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.072 -13.362 -22.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.893 -14.845 -22.357 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.725 -10.095 -20.116 1.00 0.00 N ATOM 1262 CA LEU A 80 -18.997 -9.438 -19.865 1.00 0.00 C ATOM 1263 C LEU A 80 -18.712 -8.159 -19.091 1.00 0.00 C ATOM 1264 O LEU A 80 -19.152 -7.071 -19.458 1.00 0.00 O ATOM 1265 CB LEU A 80 -19.930 -10.349 -19.065 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.325 -11.648 -19.767 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.199 -12.502 -18.861 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.042 -11.349 -21.075 1.00 0.00 C ATOM 0 H LEU A 80 -17.623 -11.014 -19.685 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.494 -9.211 -20.808 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.448 -10.597 -18.119 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -20.837 -9.794 -18.824 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.417 -12.207 -19.992 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.470 -13.422 -19.379 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.651 -12.745 -17.951 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.104 -11.951 -18.603 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.316 -12.285 -21.562 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -21.942 -10.768 -20.872 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.382 -10.779 -21.730 1.00 0.00 H new ATOM 1280 N GLU A 81 -17.921 -8.318 -18.034 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.493 -7.214 -17.199 1.00 0.00 C ATOM 1282 C GLU A 81 -16.665 -6.225 -18.006 1.00 0.00 C ATOM 1283 O GLU A 81 -16.840 -5.012 -17.894 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.668 -7.760 -16.043 1.00 0.00 C ATOM 1285 CG GLU A 81 -16.865 -7.000 -14.746 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.816 -7.900 -13.527 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -17.400 -9.003 -13.580 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -16.193 -7.502 -12.520 1.00 0.00 O ATOM 0 H GLU A 81 -17.560 -9.224 -17.736 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.369 -6.692 -16.815 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.928 -8.807 -15.884 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.613 -7.731 -16.315 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.095 -6.234 -14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -17.825 -6.485 -14.774 1.00 0.00 H new ATOM 1295 N ARG A 82 -15.760 -6.758 -18.815 1.00 0.00 N ATOM 1296 CA ARG A 82 -14.894 -5.932 -19.644 1.00 0.00 C ATOM 1297 C ARG A 82 -15.718 -5.120 -20.641 1.00 0.00 C ATOM 1298 O ARG A 82 -15.378 -3.983 -20.964 1.00 0.00 O ATOM 1299 CB ARG A 82 -13.861 -6.815 -20.361 1.00 0.00 C ATOM 1300 CG ARG A 82 -14.105 -6.993 -21.849 1.00 0.00 C ATOM 1301 CD ARG A 82 -12.900 -7.604 -22.546 1.00 0.00 C ATOM 1302 NE ARG A 82 -13.286 -8.430 -23.686 1.00 0.00 N ATOM 1303 CZ ARG A 82 -12.432 -9.169 -24.390 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -11.142 -9.188 -24.074 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -12.867 -9.893 -25.412 1.00 0.00 N ATOM 0 H ARG A 82 -15.606 -7.761 -18.915 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.360 -5.226 -19.008 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.871 -6.382 -20.218 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.851 -7.797 -19.888 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.976 -7.631 -22.001 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.335 -6.027 -22.299 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.235 -6.809 -22.883 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.338 -8.209 -21.834 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.269 -8.441 -23.959 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.801 -8.634 -23.288 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.492 -9.756 -24.617 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.857 -9.884 -25.659 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.212 -10.459 -25.951 1.00 0.00 H new ATOM 1319 N GLN A 83 -16.808 -5.712 -21.117 1.00 0.00 N ATOM 1320 CA GLN A 83 -17.685 -5.041 -22.068 1.00 0.00 C ATOM 1321 C GLN A 83 -18.515 -3.973 -21.366 1.00 0.00 C ATOM 1322 O GLN A 83 -18.736 -2.888 -21.903 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.605 -6.055 -22.752 1.00 0.00 C ATOM 1324 CG GLN A 83 -17.927 -6.833 -23.868 1.00 0.00 C ATOM 1325 CD GLN A 83 -18.717 -8.059 -24.286 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.697 -7.959 -25.023 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -18.291 -9.225 -23.814 1.00 0.00 N ATOM 0 H GLN A 83 -17.105 -6.654 -20.860 1.00 0.00 H new ATOM 0 HA GLN A 83 -17.066 -4.561 -22.826 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.978 -6.756 -22.006 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.471 -5.532 -23.159 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.792 -6.181 -24.731 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -16.933 -7.139 -23.541 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -17.473 -9.261 -23.205 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -18.782 -10.085 -24.060 1.00 0.00 H new ATOM 1336 N LEU A 84 -18.966 -4.288 -20.155 1.00 0.00 N ATOM 1337 CA LEU A 84 -19.764 -3.356 -19.370 1.00 0.00 C ATOM 1338 C LEU A 84 -18.941 -2.132 -18.979 1.00 0.00 C ATOM 1339 O LEU A 84 -19.485 -1.051 -18.753 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.300 -4.045 -18.114 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.273 -5.198 -18.371 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.311 -6.141 -17.178 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -22.663 -4.661 -18.677 1.00 0.00 C ATOM 0 H LEU A 84 -18.791 -5.183 -19.697 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.603 -3.028 -19.983 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.456 -4.424 -17.538 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -20.799 -3.300 -17.495 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.923 -5.759 -19.238 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.008 -6.954 -17.379 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.316 -6.550 -17.006 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.637 -5.595 -16.293 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.343 -5.493 -18.857 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.022 -4.076 -17.830 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -22.621 -4.028 -19.563 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.624 -2.309 -18.903 1.00 0.00 N ATOM 1356 CA ASN A 85 -16.723 -1.223 -18.541 1.00 0.00 C ATOM 1357 C ASN A 85 -16.767 -0.120 -19.588 1.00 0.00 C ATOM 1358 O ASN A 85 -16.791 1.064 -19.257 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.293 -1.747 -18.391 1.00 0.00 C ATOM 1360 CG ASN A 85 -14.595 -1.176 -17.171 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -15.069 -0.217 -16.562 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -13.463 -1.766 -16.808 1.00 0.00 N ATOM 0 H ASN A 85 -17.158 -3.197 -19.088 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.050 -0.810 -17.587 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.313 -2.834 -18.320 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.721 -1.496 -19.284 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.949 -1.427 -15.995 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.107 -2.558 -17.342 1.00 0.00 H new ATOM 1369 N LYS A 86 -16.780 -0.518 -20.853 1.00 0.00 N ATOM 1370 CA LYS A 86 -16.824 0.436 -21.951 1.00 0.00 C ATOM 1371 C LYS A 86 -18.212 1.059 -22.081 1.00 0.00 C ATOM 1372 O LYS A 86 -18.368 2.143 -22.642 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.434 -0.247 -23.265 1.00 0.00 C ATOM 1374 CG LYS A 86 -14.932 -0.313 -23.495 1.00 0.00 C ATOM 1375 CD LYS A 86 -14.517 0.475 -24.727 1.00 0.00 C ATOM 1376 CE LYS A 86 -14.518 -0.395 -25.974 1.00 0.00 C ATOM 1377 NZ LYS A 86 -15.637 -0.047 -26.894 1.00 0.00 N ATOM 0 H LYS A 86 -16.761 -1.496 -21.144 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.109 1.230 -21.735 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.839 -1.259 -23.273 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.897 0.288 -24.094 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.412 0.078 -22.620 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.626 -1.353 -23.608 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.197 1.315 -24.868 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.522 0.892 -24.575 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.569 -0.280 -26.497 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.598 -1.443 -25.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.602 -0.663 -27.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.544 -0.181 -26.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.547 0.946 -27.190 1.00 0.00 H new