USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.88! C(o=-1.9!,f=-4.2!) USER MOD Set 2.1: A 65 ASN : amide:sc= -1.79! K(o=-1.9!,f=1.2) USER MOD Set 2.2: A 70 TYR OH : rot 70:sc= -0.143 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.0704 X(o=-3.1,f=-3.1) USER MOD Set 3.2: A 22 GLN : amide:sc= -3.17! C(o=-3.1!,f=-6.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.014) USER MOD Single : A 10 ASN : amide:sc= -3.37! C(o=-3.4!,f=-2.7!) USER MOD Single : A 11 MET CE :methyl -141:sc= -0.81 (180deg=-3.72!) USER MOD Single : A 12 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -155:sc= 1.85 USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= -2.66! (180deg=-6.46!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 33 GLN : amide:sc= -2.14! K(o=-2.1!,f=-1.2) USER MOD Single : A 35 SER OG : rot 85:sc= 0.937 USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= 1.21 (180deg=-0.179) USER MOD Single : A 40 LYS NZ :NH3+ -111:sc= -2.1 (180deg=-4.25!) USER MOD Single : A 42 HIS : no HD1:sc= -0.602 K(o=-0.6,f=-0.016) USER MOD Single : A 45 THR OG1 : rot -62:sc= -1.21! USER MOD Single : A 47 MET CE :methyl 135:sc= -0.729 (180deg=-2.99!) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 1.7 (180deg=1.62) USER MOD Single : A 52 GLN : amide:sc= -2.73! C(o=-2.7!,f=-5.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.17! C(o=-1.2!,f=-1.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.145 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.923 K(o=-0.92,f=0) USER MOD Single : A 72 MET CE :methyl -131:sc= -0.492 (180deg=-1.34) USER MOD Single : A 79 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.864 -0.944 -0.830 1.00 0.00 N ATOM 2 CA PRO A 1 1.861 -0.747 -1.907 1.00 0.00 C ATOM 3 C PRO A 1 1.870 -1.962 -2.827 1.00 0.00 C ATOM 4 O PRO A 1 1.021 -2.841 -2.691 1.00 0.00 O ATOM 5 CB PRO A 1 3.222 -0.556 -1.273 1.00 0.00 C ATOM 6 CG PRO A 1 3.073 -1.219 0.045 1.00 0.00 C ATOM 7 CD PRO A 1 1.619 -1.072 0.440 1.00 0.00 C ATOM 0 H2 PRO A 1 0.305 -1.779 -1.004 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.217 -0.156 -0.788 1.00 0.00 H new ATOM 0 HA PRO A 1 1.608 0.132 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.012 -1.014 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.473 0.499 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.354 -2.270 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.725 -0.758 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.280 -1.937 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.472 -0.196 1.072 1.00 0.00 H new ATOM 17 N VAL A 2 2.820 -2.018 -3.757 1.00 0.00 N ATOM 18 CA VAL A 2 2.941 -3.167 -4.643 1.00 0.00 C ATOM 19 C VAL A 2 4.347 -3.737 -4.580 1.00 0.00 C ATOM 20 O VAL A 2 5.302 -3.032 -4.246 1.00 0.00 O ATOM 21 CB VAL A 2 2.598 -2.837 -6.118 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.215 -2.221 -6.225 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.647 -1.927 -6.744 1.00 0.00 C ATOM 0 H VAL A 2 3.512 -1.285 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 2 2.215 -3.899 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 2 2.599 -3.774 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.996 -1.998 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.474 -2.922 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.181 -1.301 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.375 -1.716 -7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.699 -0.993 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.619 -2.420 -6.718 1.00 0.00 H new ATOM 33 N SER A 3 4.467 -5.014 -4.888 1.00 0.00 N ATOM 34 CA SER A 3 5.755 -5.675 -4.864 1.00 0.00 C ATOM 35 C SER A 3 6.469 -5.487 -6.196 1.00 0.00 C ATOM 36 O SER A 3 5.931 -5.828 -7.251 1.00 0.00 O ATOM 37 CB SER A 3 5.575 -7.163 -4.576 1.00 0.00 C ATOM 38 OG SER A 3 4.678 -7.369 -3.501 1.00 0.00 O ATOM 0 H SER A 3 3.687 -5.614 -5.158 1.00 0.00 H new ATOM 0 HA SER A 3 6.361 -5.231 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.201 -7.666 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.540 -7.610 -4.339 1.00 0.00 H new ATOM 0 HG SER A 3 4.578 -8.330 -3.338 1.00 0.00 H new ATOM 44 N ILE A 4 7.669 -4.945 -6.143 1.00 0.00 N ATOM 45 CA ILE A 4 8.452 -4.710 -7.346 1.00 0.00 C ATOM 46 C ILE A 4 9.832 -5.330 -7.226 1.00 0.00 C ATOM 47 O ILE A 4 10.473 -5.253 -6.179 1.00 0.00 O ATOM 48 CB ILE A 4 8.587 -3.209 -7.661 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.613 -2.386 -6.375 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.463 -2.756 -8.577 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.801 -0.904 -6.611 1.00 0.00 C ATOM 0 H ILE A 4 8.127 -4.657 -5.278 1.00 0.00 H new ATOM 0 HA ILE A 4 7.915 -5.184 -8.168 1.00 0.00 H new ATOM 0 HB ILE A 4 9.533 -3.048 -8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.681 -2.544 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.418 -2.749 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.573 -1.693 -8.790 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.504 -3.319 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.504 -2.931 -8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.810 -0.381 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.747 -0.735 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.982 -0.526 -7.223 1.00 0.00 H new ATOM 63 N LYS A 5 10.285 -5.951 -8.299 1.00 0.00 N ATOM 64 CA LYS A 5 11.551 -6.658 -8.283 1.00 0.00 C ATOM 65 C LYS A 5 12.494 -6.070 -9.310 1.00 0.00 C ATOM 66 O LYS A 5 12.063 -5.601 -10.360 1.00 0.00 O ATOM 67 CB LYS A 5 11.341 -8.133 -8.593 1.00 0.00 C ATOM 68 CG LYS A 5 10.203 -8.753 -7.817 1.00 0.00 C ATOM 69 CD LYS A 5 9.698 -9.989 -8.520 1.00 0.00 C ATOM 70 CE LYS A 5 8.223 -10.189 -8.256 1.00 0.00 C ATOM 71 NZ LYS A 5 7.967 -10.836 -6.943 1.00 0.00 N ATOM 0 H LYS A 5 9.795 -5.980 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 5 11.983 -6.554 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.149 -8.249 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.260 -8.677 -8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.537 -9.010 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.393 -8.032 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.872 -9.900 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.255 -10.861 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.717 -9.224 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.794 -10.801 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.942 -10.952 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.427 -11.768 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.352 -10.241 -6.182 1.00 0.00 H new ATOM 85 N VAL A 6 13.771 -6.106 -9.006 1.00 0.00 N ATOM 86 CA VAL A 6 14.790 -5.651 -9.929 1.00 0.00 C ATOM 87 C VAL A 6 15.787 -6.773 -10.174 1.00 0.00 C ATOM 88 O VAL A 6 16.595 -7.104 -9.303 1.00 0.00 O ATOM 89 CB VAL A 6 15.536 -4.402 -9.402 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.569 -3.925 -10.411 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.557 -3.283 -9.070 1.00 0.00 C ATOM 0 H VAL A 6 14.133 -6.450 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 6 14.296 -5.372 -10.860 1.00 0.00 H new ATOM 0 HB VAL A 6 16.055 -4.683 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.081 -3.046 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.295 -4.718 -10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.072 -3.669 -11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.106 -2.416 -8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.002 -3.007 -9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.861 -3.624 -8.304 1.00 0.00 H new ATOM 101 N GLN A 7 15.701 -7.377 -11.347 1.00 0.00 N ATOM 102 CA GLN A 7 16.571 -8.478 -11.705 1.00 0.00 C ATOM 103 C GLN A 7 17.966 -7.957 -12.005 1.00 0.00 C ATOM 104 O GLN A 7 18.214 -7.387 -13.062 1.00 0.00 O ATOM 105 CB GLN A 7 16.012 -9.243 -12.910 1.00 0.00 C ATOM 106 CG GLN A 7 16.182 -10.750 -12.800 1.00 0.00 C ATOM 107 CD GLN A 7 17.626 -11.183 -12.900 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.099 -11.597 -13.955 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.354 -11.011 -11.818 1.00 0.00 N ATOM 0 H GLN A 7 15.031 -7.119 -12.071 1.00 0.00 H new ATOM 0 HA GLN A 7 16.625 -9.169 -10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.952 -9.011 -13.018 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.509 -8.894 -13.815 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.770 -11.089 -11.850 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.606 -11.235 -13.588 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.921 -10.665 -10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.351 -11.224 -11.835 1.00 0.00 H new ATOM 118 N VAL A 8 18.858 -8.147 -11.054 1.00 0.00 N ATOM 119 CA VAL A 8 20.224 -7.689 -11.175 1.00 0.00 C ATOM 120 C VAL A 8 21.003 -8.572 -12.147 1.00 0.00 C ATOM 121 O VAL A 8 20.947 -9.797 -12.056 1.00 0.00 O ATOM 122 CB VAL A 8 20.917 -7.696 -9.796 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.343 -7.200 -9.896 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.131 -6.865 -8.796 1.00 0.00 C ATOM 0 H VAL A 8 18.654 -8.624 -10.176 1.00 0.00 H new ATOM 0 HA VAL A 8 20.208 -6.670 -11.561 1.00 0.00 H new ATOM 0 HB VAL A 8 20.945 -8.727 -9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.804 -7.217 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.906 -7.845 -10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.347 -6.180 -10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.637 -6.883 -7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.063 -5.837 -9.151 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.128 -7.278 -8.688 1.00 0.00 H new ATOM 134 N PRO A 9 21.732 -7.968 -13.094 1.00 0.00 N ATOM 135 CA PRO A 9 22.535 -8.721 -14.056 1.00 0.00 C ATOM 136 C PRO A 9 23.718 -9.416 -13.386 1.00 0.00 C ATOM 137 O PRO A 9 24.205 -8.979 -12.338 1.00 0.00 O ATOM 138 CB PRO A 9 23.017 -7.654 -15.042 1.00 0.00 C ATOM 139 CG PRO A 9 22.981 -6.380 -14.271 1.00 0.00 C ATOM 140 CD PRO A 9 21.836 -6.513 -13.307 1.00 0.00 C ATOM 0 HA PRO A 9 21.966 -9.519 -14.533 1.00 0.00 H new ATOM 0 HB2 PRO A 9 24.023 -7.872 -15.400 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.371 -7.604 -15.918 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.920 -6.217 -13.742 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.836 -5.527 -14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 9 22.033 -5.984 -12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.915 -6.101 -13.719 1.00 0.00 H new ATOM 148 N ASN A 10 24.162 -10.506 -13.983 1.00 0.00 N ATOM 149 CA ASN A 10 25.283 -11.266 -13.454 1.00 0.00 C ATOM 150 C ASN A 10 26.604 -10.611 -13.837 1.00 0.00 C ATOM 151 O ASN A 10 27.128 -10.854 -14.922 1.00 0.00 O ATOM 152 CB ASN A 10 25.258 -12.703 -13.984 1.00 0.00 C ATOM 153 CG ASN A 10 24.128 -13.539 -13.423 1.00 0.00 C ATOM 154 OD1 ASN A 10 23.020 -13.543 -13.959 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.398 -14.278 -12.359 1.00 0.00 N ATOM 0 H ASN A 10 23.762 -10.888 -14.840 1.00 0.00 H new ATOM 0 HA ASN A 10 25.193 -11.282 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.175 -12.679 -15.071 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.207 -13.185 -13.747 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.676 -14.876 -11.957 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.328 -14.249 -11.941 1.00 0.00 H new ATOM 162 N MET A 11 27.134 -9.763 -12.960 1.00 0.00 N ATOM 163 CA MET A 11 28.448 -9.166 -13.176 1.00 0.00 C ATOM 164 C MET A 11 29.196 -9.046 -11.857 1.00 0.00 C ATOM 165 O MET A 11 29.332 -7.955 -11.308 1.00 0.00 O ATOM 166 CB MET A 11 28.307 -7.784 -13.839 1.00 0.00 C ATOM 167 CG MET A 11 28.130 -7.849 -15.351 1.00 0.00 C ATOM 168 SD MET A 11 28.443 -6.280 -16.191 1.00 0.00 S ATOM 169 CE MET A 11 27.186 -5.229 -15.473 1.00 0.00 C ATOM 0 H MET A 11 26.675 -9.475 -12.096 1.00 0.00 H new ATOM 0 HA MET A 11 29.018 -9.813 -13.842 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.452 -7.267 -13.403 1.00 0.00 H new ATOM 0 HB3 MET A 11 29.191 -7.188 -13.610 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.803 -8.606 -15.754 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.114 -8.174 -15.575 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.777 -4.574 -16.242 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.388 -5.846 -15.060 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.626 -4.626 -14.679 1.00 0.00 H new ATOM 179 N GLN A 12 29.705 -10.173 -11.365 1.00 0.00 N ATOM 180 CA GLN A 12 30.315 -10.220 -10.037 1.00 0.00 C ATOM 181 C GLN A 12 31.728 -9.670 -10.076 1.00 0.00 C ATOM 182 O GLN A 12 32.133 -8.875 -9.229 1.00 0.00 O ATOM 183 CB GLN A 12 30.364 -11.658 -9.503 1.00 0.00 C ATOM 184 CG GLN A 12 29.056 -12.427 -9.609 1.00 0.00 C ATOM 185 CD GLN A 12 28.930 -13.193 -10.905 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.381 -14.326 -11.013 1.00 0.00 O ATOM 187 NE2 GLN A 12 28.281 -12.593 -11.885 1.00 0.00 N ATOM 0 H GLN A 12 29.708 -11.063 -11.863 1.00 0.00 H new ATOM 0 HA GLN A 12 29.699 -9.609 -9.377 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.135 -12.205 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.669 -11.631 -8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.980 -13.122 -8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.222 -11.730 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.921 -11.648 -11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.140 -13.075 -12.773 1.00 0.00 H new ATOM 196 N ASP A 13 32.465 -10.099 -11.081 1.00 0.00 N ATOM 197 CA ASP A 13 33.853 -9.706 -11.244 1.00 0.00 C ATOM 198 C ASP A 13 34.021 -8.948 -12.548 1.00 0.00 C ATOM 199 O ASP A 13 35.133 -8.759 -13.035 1.00 0.00 O ATOM 200 CB ASP A 13 34.755 -10.947 -11.247 1.00 0.00 C ATOM 201 CG ASP A 13 34.856 -11.618 -9.889 1.00 0.00 C ATOM 202 OD1 ASP A 13 33.972 -12.433 -9.547 1.00 0.00 O ATOM 203 OD2 ASP A 13 35.835 -11.341 -9.162 1.00 0.00 O ATOM 0 H ASP A 13 32.121 -10.728 -11.807 1.00 0.00 H new ATOM 0 HA ASP A 13 34.139 -9.062 -10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.371 -11.665 -11.972 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.753 -10.662 -11.579 1.00 0.00 H new ATOM 208 N LYS A 14 32.903 -8.511 -13.110 1.00 0.00 N ATOM 209 CA LYS A 14 32.920 -7.893 -14.429 1.00 0.00 C ATOM 210 C LYS A 14 32.811 -6.379 -14.310 1.00 0.00 C ATOM 211 O LYS A 14 32.880 -5.659 -15.305 1.00 0.00 O ATOM 212 CB LYS A 14 31.767 -8.430 -15.290 1.00 0.00 C ATOM 213 CG LYS A 14 31.459 -9.906 -15.067 1.00 0.00 C ATOM 214 CD LYS A 14 32.685 -10.784 -15.268 1.00 0.00 C ATOM 215 CE LYS A 14 32.461 -12.180 -14.712 1.00 0.00 C ATOM 216 NZ LYS A 14 31.547 -12.983 -15.566 1.00 0.00 N ATOM 0 H LYS A 14 31.981 -8.572 -12.679 1.00 0.00 H new ATOM 0 HA LYS A 14 33.866 -8.143 -14.909 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.870 -7.847 -15.081 1.00 0.00 H new ATOM 0 HB3 LYS A 14 32.010 -8.275 -16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 14 31.075 -10.047 -14.057 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.673 -10.219 -15.754 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.920 -10.847 -16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.545 -10.329 -14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 14 33.419 -12.693 -14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 14 32.046 -12.107 -13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 31.423 -13.928 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 30.624 -12.508 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 31.954 -13.076 -16.519 1.00 0.00 H new ATOM 230 N THR A 15 32.653 -5.906 -13.086 1.00 0.00 N ATOM 231 CA THR A 15 32.468 -4.487 -12.840 1.00 0.00 C ATOM 232 C THR A 15 32.699 -4.162 -11.361 1.00 0.00 C ATOM 233 O THR A 15 33.149 -5.017 -10.597 1.00 0.00 O ATOM 234 CB THR A 15 31.057 -4.037 -13.287 1.00 0.00 C ATOM 235 OG1 THR A 15 30.913 -2.618 -13.148 1.00 0.00 O ATOM 236 CG2 THR A 15 29.976 -4.758 -12.490 1.00 0.00 C ATOM 0 H THR A 15 32.649 -6.485 -12.246 1.00 0.00 H new ATOM 0 HA THR A 15 33.203 -3.937 -13.428 1.00 0.00 H new ATOM 0 HB THR A 15 30.938 -4.299 -14.338 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.965 -2.395 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.994 -4.424 -12.824 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.065 -5.833 -12.645 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.095 -4.534 -11.430 1.00 0.00 H new ATOM 244 N GLU A 16 32.395 -2.927 -10.967 1.00 0.00 N ATOM 245 CA GLU A 16 32.650 -2.456 -9.610 1.00 0.00 C ATOM 246 C GLU A 16 31.369 -2.429 -8.778 1.00 0.00 C ATOM 247 O GLU A 16 31.376 -1.985 -7.628 1.00 0.00 O ATOM 248 CB GLU A 16 33.260 -1.052 -9.650 1.00 0.00 C ATOM 249 CG GLU A 16 32.408 -0.040 -10.409 1.00 0.00 C ATOM 250 CD GLU A 16 32.914 1.382 -10.267 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.926 1.734 -10.915 1.00 0.00 O ATOM 252 OE2 GLU A 16 32.299 2.165 -9.516 1.00 0.00 O ATOM 0 H GLU A 16 31.968 -2.229 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 16 33.348 -3.150 -9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.406 -0.699 -8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.245 -1.106 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.388 -0.309 -11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.381 -0.093 -10.047 1.00 0.00 H new ATOM 259 N TRP A 17 30.279 -2.898 -9.359 1.00 0.00 N ATOM 260 CA TRP A 17 28.985 -2.853 -8.691 1.00 0.00 C ATOM 261 C TRP A 17 28.700 -4.165 -7.972 1.00 0.00 C ATOM 262 O TRP A 17 29.440 -5.139 -8.110 1.00 0.00 O ATOM 263 CB TRP A 17 27.882 -2.548 -9.700 1.00 0.00 C ATOM 264 CG TRP A 17 28.204 -1.368 -10.554 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.612 -0.138 -10.128 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.152 -1.305 -11.980 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.836 0.681 -11.204 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.556 -0.013 -12.354 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.806 -2.220 -12.977 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.625 0.382 -13.685 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.874 -1.826 -14.297 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.279 -0.534 -14.641 1.00 0.00 C ATOM 0 H TRP A 17 30.261 -3.314 -10.290 1.00 0.00 H new ATOM 0 HA TRP A 17 29.010 -2.057 -7.947 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.722 -3.420 -10.335 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.948 -2.365 -9.169 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.740 0.148 -9.095 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.158 1.648 -11.157 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.490 -3.220 -12.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.941 1.379 -13.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.610 -2.526 -15.076 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.320 -0.252 -15.683 1.00 0.00 H new ATOM 283 N LYS A 18 27.606 -4.188 -7.224 1.00 0.00 N ATOM 284 CA LYS A 18 27.236 -5.350 -6.427 1.00 0.00 C ATOM 285 C LYS A 18 26.348 -6.304 -7.232 1.00 0.00 C ATOM 286 O LYS A 18 25.518 -7.027 -6.679 1.00 0.00 O ATOM 287 CB LYS A 18 26.510 -4.890 -5.154 1.00 0.00 C ATOM 288 CG LYS A 18 25.132 -4.294 -5.405 1.00 0.00 C ATOM 289 CD LYS A 18 24.048 -5.212 -4.871 1.00 0.00 C ATOM 290 CE LYS A 18 22.913 -5.398 -5.863 1.00 0.00 C ATOM 291 NZ LYS A 18 21.980 -4.241 -5.846 1.00 0.00 N ATOM 0 H LYS A 18 26.953 -3.407 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 18 28.142 -5.889 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.409 -5.740 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.127 -4.150 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.059 -3.318 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.988 -4.135 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.482 -6.183 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.652 -4.802 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.322 -5.523 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.367 -6.311 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.635 -4.059 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.174 -4.454 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.477 -3.399 -5.492 1.00 0.00 H new ATOM 305 N LEU A 19 26.531 -6.324 -8.537 1.00 0.00 N ATOM 306 CA LEU A 19 25.678 -7.119 -9.402 1.00 0.00 C ATOM 307 C LEU A 19 26.146 -8.573 -9.401 1.00 0.00 C ATOM 308 O LEU A 19 27.267 -8.860 -9.777 1.00 0.00 O ATOM 309 CB LEU A 19 25.718 -6.578 -10.834 1.00 0.00 C ATOM 310 CG LEU A 19 25.662 -5.056 -10.971 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.567 -4.661 -12.429 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.496 -4.482 -10.199 1.00 0.00 C ATOM 0 H LEU A 19 27.260 -5.801 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 19 24.656 -7.062 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.631 -6.934 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.882 -7.005 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 19 26.582 -4.647 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.528 -3.575 -12.510 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.440 -5.034 -12.965 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.664 -5.090 -12.864 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.481 -3.398 -10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.565 -4.900 -10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.600 -4.733 -9.143 1.00 0.00 H new ATOM 324 N ASN A 20 25.301 -9.494 -8.974 1.00 0.00 N ATOM 325 CA ASN A 20 25.715 -10.893 -8.891 1.00 0.00 C ATOM 326 C ASN A 20 24.683 -11.801 -9.531 1.00 0.00 C ATOM 327 O ASN A 20 24.707 -13.016 -9.344 1.00 0.00 O ATOM 328 CB ASN A 20 25.952 -11.294 -7.432 1.00 0.00 C ATOM 329 CG ASN A 20 27.143 -10.579 -6.819 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.227 -11.144 -6.688 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.948 -9.319 -6.468 1.00 0.00 N ATOM 0 H ASN A 20 24.341 -9.310 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 20 26.651 -11.005 -9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.059 -11.072 -6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.110 -12.371 -7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.714 -8.776 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.031 -8.890 -6.595 1.00 0.00 H new ATOM 338 N GLY A 21 23.797 -11.208 -10.314 1.00 0.00 N ATOM 339 CA GLY A 21 22.760 -11.978 -10.962 1.00 0.00 C ATOM 340 C GLY A 21 21.562 -12.217 -10.069 1.00 0.00 C ATOM 341 O GLY A 21 20.621 -12.906 -10.462 1.00 0.00 O ATOM 0 H GLY A 21 23.778 -10.208 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.437 -11.458 -11.864 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.170 -12.938 -11.277 1.00 0.00 H new ATOM 345 N GLN A 22 21.591 -11.660 -8.862 1.00 0.00 N ATOM 346 CA GLN A 22 20.490 -11.837 -7.921 1.00 0.00 C ATOM 347 C GLN A 22 19.302 -10.961 -8.299 1.00 0.00 C ATOM 348 O GLN A 22 19.358 -10.193 -9.255 1.00 0.00 O ATOM 349 CB GLN A 22 20.926 -11.523 -6.486 1.00 0.00 C ATOM 350 CG GLN A 22 21.285 -10.064 -6.248 1.00 0.00 C ATOM 351 CD GLN A 22 22.778 -9.828 -6.187 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.537 -10.688 -5.757 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.211 -8.660 -6.628 1.00 0.00 N ATOM 0 H GLN A 22 22.359 -11.086 -8.514 1.00 0.00 H new ATOM 0 HA GLN A 22 20.189 -12.883 -7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.123 -11.804 -5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.787 -12.143 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.858 -9.455 -7.045 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.831 -9.731 -5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.547 -7.969 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.209 -8.449 -6.618 1.00 0.00 H new ATOM 362 N VAL A 23 18.233 -11.072 -7.536 1.00 0.00 N ATOM 363 CA VAL A 23 17.027 -10.298 -7.782 1.00 0.00 C ATOM 364 C VAL A 23 16.686 -9.459 -6.560 1.00 0.00 C ATOM 365 O VAL A 23 16.592 -9.977 -5.447 1.00 0.00 O ATOM 366 CB VAL A 23 15.820 -11.201 -8.127 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.590 -10.364 -8.444 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.148 -12.123 -9.291 1.00 0.00 C ATOM 0 H VAL A 23 18.173 -11.697 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 23 17.227 -9.653 -8.638 1.00 0.00 H new ATOM 0 HB VAL A 23 15.602 -11.815 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.754 -11.022 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.334 -9.752 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.799 -9.718 -9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.284 -12.748 -9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.401 -11.527 -10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.995 -12.756 -9.026 1.00 0.00 H new ATOM 378 N LEU A 24 16.516 -8.167 -6.767 1.00 0.00 N ATOM 379 CA LEU A 24 16.127 -7.278 -5.690 1.00 0.00 C ATOM 380 C LEU A 24 14.615 -7.253 -5.584 1.00 0.00 C ATOM 381 O LEU A 24 13.925 -7.307 -6.595 1.00 0.00 O ATOM 382 CB LEU A 24 16.643 -5.863 -5.941 1.00 0.00 C ATOM 383 CG LEU A 24 18.160 -5.733 -6.090 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.542 -4.288 -6.372 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.866 -6.239 -4.839 1.00 0.00 C ATOM 0 H LEU A 24 16.641 -7.710 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 24 16.561 -7.644 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.172 -5.478 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.320 -5.226 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 24 18.478 -6.346 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.624 -4.211 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.065 -3.959 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.211 -3.657 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.944 -6.139 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.544 -5.654 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.616 -7.288 -4.679 1.00 0.00 H new ATOM 397 N VAL A 25 14.107 -7.184 -4.368 1.00 0.00 N ATOM 398 CA VAL A 25 12.673 -7.158 -4.146 1.00 0.00 C ATOM 399 C VAL A 25 12.319 -6.028 -3.196 1.00 0.00 C ATOM 400 O VAL A 25 12.626 -6.081 -2.004 1.00 0.00 O ATOM 401 CB VAL A 25 12.139 -8.496 -3.584 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.642 -8.419 -3.320 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.446 -9.646 -4.530 1.00 0.00 C ATOM 0 H VAL A 25 14.667 -7.145 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 25 12.199 -6.997 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 25 12.647 -8.682 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.293 -9.373 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.441 -7.631 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.119 -8.198 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.060 -10.575 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.974 -9.459 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.525 -9.729 -4.664 1.00 0.00 H new ATOM 413 N PHE A 26 11.697 -5.007 -3.748 1.00 0.00 N ATOM 414 CA PHE A 26 11.285 -3.842 -2.991 1.00 0.00 C ATOM 415 C PHE A 26 9.770 -3.741 -3.023 1.00 0.00 C ATOM 416 O PHE A 26 9.117 -4.361 -3.862 1.00 0.00 O ATOM 417 CB PHE A 26 11.894 -2.565 -3.586 1.00 0.00 C ATOM 418 CG PHE A 26 13.385 -2.443 -3.425 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.246 -3.068 -4.312 1.00 0.00 C ATOM 420 CD2 PHE A 26 13.926 -1.696 -2.389 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.615 -2.953 -4.168 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.294 -1.578 -2.241 1.00 0.00 C ATOM 423 CZ PHE A 26 16.139 -2.207 -3.132 1.00 0.00 C ATOM 0 H PHE A 26 11.462 -4.961 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 26 11.634 -3.946 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.653 -2.525 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.420 -1.702 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.842 -3.652 -5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.269 -1.200 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.275 -3.447 -4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.702 -0.994 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.209 -2.116 -3.019 1.00 0.00 H new ATOM 433 N THR A 27 9.206 -2.991 -2.103 1.00 0.00 N ATOM 434 CA THR A 27 7.776 -2.753 -2.114 1.00 0.00 C ATOM 435 C THR A 27 7.496 -1.258 -2.065 1.00 0.00 C ATOM 436 O THR A 27 7.790 -0.595 -1.070 1.00 0.00 O ATOM 437 CB THR A 27 7.081 -3.438 -0.930 1.00 0.00 C ATOM 438 OG1 THR A 27 7.635 -4.744 -0.719 1.00 0.00 O ATOM 439 CG2 THR A 27 5.583 -3.558 -1.164 1.00 0.00 C ATOM 0 H THR A 27 9.710 -2.537 -1.341 1.00 0.00 H new ATOM 0 HA THR A 27 7.379 -3.176 -3.037 1.00 0.00 H new ATOM 0 HB THR A 27 7.246 -2.822 -0.046 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.186 -5.171 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.119 -4.047 -0.308 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.154 -2.564 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.401 -4.149 -2.062 1.00 0.00 H new ATOM 447 N LEU A 28 6.933 -0.740 -3.135 1.00 0.00 N ATOM 448 CA LEU A 28 6.636 0.682 -3.235 1.00 0.00 C ATOM 449 C LEU A 28 5.205 0.877 -3.704 1.00 0.00 C ATOM 450 O LEU A 28 4.635 -0.008 -4.339 1.00 0.00 O ATOM 451 CB LEU A 28 7.604 1.372 -4.206 1.00 0.00 C ATOM 452 CG LEU A 28 9.049 1.498 -3.724 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.940 2.005 -4.845 1.00 0.00 C ATOM 454 CD2 LEU A 28 9.133 2.430 -2.530 1.00 0.00 C ATOM 0 H LEU A 28 6.668 -1.283 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 28 6.758 1.132 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.601 0.821 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.224 2.371 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 28 9.395 0.510 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.965 2.089 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.905 1.307 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.590 2.983 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.169 2.507 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.768 3.417 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.523 2.036 -1.717 1.00 0.00 H new ATOM 466 N PRO A 29 4.588 2.011 -3.361 1.00 0.00 N ATOM 467 CA PRO A 29 3.252 2.341 -3.836 1.00 0.00 C ATOM 468 C PRO A 29 3.238 2.544 -5.343 1.00 0.00 C ATOM 469 O PRO A 29 4.232 2.969 -5.930 1.00 0.00 O ATOM 470 CB PRO A 29 2.912 3.648 -3.110 1.00 0.00 C ATOM 471 CG PRO A 29 4.227 4.225 -2.716 1.00 0.00 C ATOM 472 CD PRO A 29 5.138 3.055 -2.481 1.00 0.00 C ATOM 0 HA PRO A 29 2.533 1.546 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.362 4.328 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.285 3.463 -2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.619 4.874 -3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.133 4.833 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.171 3.292 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.131 2.744 -1.436 1.00 0.00 H new ATOM 480 N LEU A 30 2.104 2.249 -5.962 1.00 0.00 N ATOM 481 CA LEU A 30 1.946 2.407 -7.406 1.00 0.00 C ATOM 482 C LEU A 30 2.096 3.875 -7.804 1.00 0.00 C ATOM 483 O LEU A 30 2.266 4.206 -8.978 1.00 0.00 O ATOM 484 CB LEU A 30 0.571 1.879 -7.831 1.00 0.00 C ATOM 485 CG LEU A 30 0.344 1.781 -9.340 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.323 0.804 -9.961 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.083 1.357 -9.641 1.00 0.00 C ATOM 0 H LEU A 30 1.274 1.897 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 30 2.723 1.835 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.429 0.890 -7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.195 2.528 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 30 0.511 2.767 -9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.148 0.746 -11.035 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.342 1.144 -9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.184 -0.182 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.224 1.293 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.276 0.383 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.775 2.090 -9.228 1.00 0.00 H new ATOM 499 N THR A 31 2.053 4.742 -6.804 1.00 0.00 N ATOM 500 CA THR A 31 2.132 6.174 -7.014 1.00 0.00 C ATOM 501 C THR A 31 3.571 6.624 -7.253 1.00 0.00 C ATOM 502 O THR A 31 3.811 7.741 -7.714 1.00 0.00 O ATOM 503 CB THR A 31 1.545 6.918 -5.805 1.00 0.00 C ATOM 504 OG1 THR A 31 2.288 6.597 -4.622 1.00 0.00 O ATOM 505 CG2 THR A 31 0.092 6.524 -5.600 1.00 0.00 C ATOM 0 H THR A 31 1.962 4.470 -5.825 1.00 0.00 H new ATOM 0 HA THR A 31 1.551 6.414 -7.904 1.00 0.00 H new ATOM 0 HB THR A 31 1.607 7.989 -5.997 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.908 7.077 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.312 7.058 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.483 6.780 -6.490 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.028 5.450 -5.423 1.00 0.00 H new ATOM 513 N ASP A 32 4.529 5.759 -6.932 1.00 0.00 N ATOM 514 CA ASP A 32 5.926 6.050 -7.225 1.00 0.00 C ATOM 515 C ASP A 32 6.212 5.854 -8.706 1.00 0.00 C ATOM 516 O ASP A 32 5.306 5.593 -9.505 1.00 0.00 O ATOM 517 CB ASP A 32 6.878 5.200 -6.382 1.00 0.00 C ATOM 518 CG ASP A 32 7.123 5.801 -5.014 1.00 0.00 C ATOM 519 OD1 ASP A 32 7.260 7.043 -4.919 1.00 0.00 O ATOM 520 OD2 ASP A 32 7.197 5.042 -4.028 1.00 0.00 O ATOM 0 H ASP A 32 4.366 4.862 -6.475 1.00 0.00 H new ATOM 0 HA ASP A 32 6.101 7.094 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.463 4.198 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.828 5.094 -6.906 1.00 0.00 H new ATOM 525 N GLN A 33 7.471 5.976 -9.082 1.00 0.00 N ATOM 526 CA GLN A 33 7.829 6.008 -10.485 1.00 0.00 C ATOM 527 C GLN A 33 9.179 5.350 -10.731 1.00 0.00 C ATOM 528 O GLN A 33 9.889 5.003 -9.787 1.00 0.00 O ATOM 529 CB GLN A 33 7.844 7.459 -10.990 1.00 0.00 C ATOM 530 CG GLN A 33 8.704 8.403 -10.158 1.00 0.00 C ATOM 531 CD GLN A 33 8.058 8.851 -8.852 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.751 9.087 -7.866 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.739 8.989 -8.836 1.00 0.00 N ATOM 0 H GLN A 33 8.258 6.054 -8.438 1.00 0.00 H new ATOM 0 HA GLN A 33 7.079 5.442 -11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.204 7.470 -12.019 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.822 7.837 -11.006 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.650 7.910 -9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.938 9.284 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.195 8.784 -9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.269 9.300 -7.986 1.00 0.00 H new ATOM 542 N VAL A 34 9.527 5.193 -12.008 1.00 0.00 N ATOM 543 CA VAL A 34 10.798 4.590 -12.400 1.00 0.00 C ATOM 544 C VAL A 34 11.962 5.385 -11.828 1.00 0.00 C ATOM 545 O VAL A 34 13.033 4.841 -11.565 1.00 0.00 O ATOM 546 CB VAL A 34 10.951 4.531 -13.933 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.212 3.764 -14.321 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.714 3.922 -14.576 1.00 0.00 C ATOM 0 H VAL A 34 8.941 5.478 -12.793 1.00 0.00 H new ATOM 0 HA VAL A 34 10.805 3.575 -12.004 1.00 0.00 H new ATOM 0 HB VAL A 34 11.052 5.550 -14.307 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.300 3.735 -15.407 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.085 4.262 -13.899 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.153 2.747 -13.934 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.844 3.890 -15.658 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.568 2.910 -14.198 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.842 4.529 -14.333 1.00 0.00 H new ATOM 558 N SER A 35 11.726 6.677 -11.631 1.00 0.00 N ATOM 559 CA SER A 35 12.716 7.571 -11.052 1.00 0.00 C ATOM 560 C SER A 35 13.216 7.033 -9.710 1.00 0.00 C ATOM 561 O SER A 35 14.372 7.239 -9.340 1.00 0.00 O ATOM 562 CB SER A 35 12.108 8.959 -10.854 1.00 0.00 C ATOM 563 OG SER A 35 13.109 9.962 -10.826 1.00 0.00 O ATOM 0 H SER A 35 10.844 7.131 -11.868 1.00 0.00 H new ATOM 0 HA SER A 35 13.562 7.636 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.404 9.168 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.543 8.981 -9.922 1.00 0.00 H new ATOM 0 HG SER A 35 13.330 10.230 -11.743 1.00 0.00 H new ATOM 569 N VAL A 36 12.344 6.331 -8.992 1.00 0.00 N ATOM 570 CA VAL A 36 12.697 5.752 -7.711 1.00 0.00 C ATOM 571 C VAL A 36 13.506 4.468 -7.905 1.00 0.00 C ATOM 572 O VAL A 36 14.344 4.120 -7.077 1.00 0.00 O ATOM 573 CB VAL A 36 11.439 5.452 -6.870 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.825 5.026 -5.470 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.519 6.661 -6.825 1.00 0.00 C ATOM 0 H VAL A 36 11.383 6.152 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 36 13.306 6.481 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 36 10.900 4.632 -7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.925 4.819 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.440 4.127 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.389 5.825 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.639 6.426 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.047 7.504 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.211 6.921 -7.838 1.00 0.00 H new ATOM 585 N ILE A 37 13.259 3.772 -9.008 1.00 0.00 N ATOM 586 CA ILE A 37 13.975 2.534 -9.306 1.00 0.00 C ATOM 587 C ILE A 37 15.416 2.835 -9.708 1.00 0.00 C ATOM 588 O ILE A 37 16.354 2.272 -9.154 1.00 0.00 O ATOM 589 CB ILE A 37 13.294 1.721 -10.438 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.790 1.568 -10.173 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.956 0.360 -10.579 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.453 0.922 -8.846 1.00 0.00 C ATOM 0 H ILE A 37 12.570 4.041 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 37 13.958 1.934 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 37 13.416 2.266 -11.374 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.324 2.553 -10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.350 0.974 -10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.469 -0.201 -11.377 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.011 0.492 -10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.864 -0.188 -9.642 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.370 0.853 -8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.886 -0.077 -8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.859 1.525 -8.034 1.00 0.00 H new ATOM 604 N LYS A 38 15.577 3.740 -10.657 1.00 0.00 N ATOM 605 CA LYS A 38 16.900 4.125 -11.135 1.00 0.00 C ATOM 606 C LYS A 38 17.777 4.651 -10.000 1.00 0.00 C ATOM 607 O LYS A 38 18.952 4.295 -9.902 1.00 0.00 O ATOM 608 CB LYS A 38 16.780 5.189 -12.223 1.00 0.00 C ATOM 609 CG LYS A 38 15.758 6.252 -11.888 1.00 0.00 C ATOM 610 CD LYS A 38 16.016 7.554 -12.610 1.00 0.00 C ATOM 611 CE LYS A 38 17.288 8.217 -12.116 1.00 0.00 C ATOM 612 NZ LYS A 38 17.290 9.673 -12.420 1.00 0.00 N ATOM 0 H LYS A 38 14.806 4.226 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 38 17.373 3.233 -11.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.752 5.659 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.507 4.712 -13.164 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.763 5.889 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.763 6.430 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.093 7.369 -13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.172 8.227 -12.462 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.385 8.067 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.152 7.744 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.233 9.956 -12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.585 9.875 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.054 10.208 -11.560 1.00 0.00 H new ATOM 626 N VAL A 39 17.207 5.492 -9.142 1.00 0.00 N ATOM 627 CA VAL A 39 17.974 6.095 -8.061 1.00 0.00 C ATOM 628 C VAL A 39 18.350 5.054 -7.007 1.00 0.00 C ATOM 629 O VAL A 39 19.472 5.052 -6.502 1.00 0.00 O ATOM 630 CB VAL A 39 17.219 7.277 -7.399 1.00 0.00 C ATOM 631 CG1 VAL A 39 15.959 6.817 -6.685 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.127 8.027 -6.440 1.00 0.00 C ATOM 0 H VAL A 39 16.226 5.768 -9.174 1.00 0.00 H new ATOM 0 HA VAL A 39 18.887 6.491 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 39 16.916 7.954 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.461 7.676 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.288 6.342 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.223 6.102 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.576 8.852 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.471 7.349 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 39 18.986 8.420 -6.984 1.00 0.00 H new ATOM 642 N LYS A 40 17.430 4.139 -6.716 1.00 0.00 N ATOM 643 CA LYS A 40 17.669 3.138 -5.679 1.00 0.00 C ATOM 644 C LYS A 40 18.758 2.165 -6.116 1.00 0.00 C ATOM 645 O LYS A 40 19.561 1.719 -5.301 1.00 0.00 O ATOM 646 CB LYS A 40 16.376 2.386 -5.307 1.00 0.00 C ATOM 647 CG LYS A 40 15.884 1.388 -6.341 1.00 0.00 C ATOM 648 CD LYS A 40 14.411 1.034 -6.148 1.00 0.00 C ATOM 649 CE LYS A 40 14.024 0.879 -4.679 1.00 0.00 C ATOM 650 NZ LYS A 40 13.680 2.184 -4.039 1.00 0.00 N ATOM 0 H LYS A 40 16.523 4.069 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 40 18.010 3.660 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.540 1.859 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.588 3.118 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.029 1.801 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.485 0.480 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.794 1.810 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.194 0.105 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.172 0.203 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.849 0.417 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.413 2.434 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.627 2.924 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.761 2.104 -3.559 1.00 0.00 H new ATOM 664 N ILE A 41 18.795 1.854 -7.407 1.00 0.00 N ATOM 665 CA ILE A 41 19.825 0.982 -7.947 1.00 0.00 C ATOM 666 C ILE A 41 21.172 1.692 -7.946 1.00 0.00 C ATOM 667 O ILE A 41 22.191 1.117 -7.565 1.00 0.00 O ATOM 668 CB ILE A 41 19.484 0.534 -9.377 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.165 -0.226 -9.377 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.600 -0.326 -9.953 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.627 -0.471 -10.762 1.00 0.00 C ATOM 0 H ILE A 41 18.124 2.193 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 41 19.877 0.099 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 41 19.383 1.417 -10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.303 -1.182 -8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.429 0.335 -8.801 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.338 -0.632 -10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.527 0.248 -9.976 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.736 -1.210 -9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.686 -1.017 -10.695 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.459 0.483 -11.261 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.347 -1.057 -11.333 1.00 0.00 H new ATOM 683 N HIS A 42 21.156 2.952 -8.356 1.00 0.00 N ATOM 684 CA HIS A 42 22.361 3.775 -8.378 1.00 0.00 C ATOM 685 C HIS A 42 22.994 3.874 -6.988 1.00 0.00 C ATOM 686 O HIS A 42 24.213 3.954 -6.864 1.00 0.00 O ATOM 687 CB HIS A 42 22.039 5.176 -8.926 1.00 0.00 C ATOM 688 CG HIS A 42 23.145 6.179 -8.743 1.00 0.00 C ATOM 689 ND1 HIS A 42 23.018 7.311 -7.968 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.401 6.216 -9.245 1.00 0.00 C ATOM 691 CE1 HIS A 42 24.144 7.999 -8.008 1.00 0.00 C ATOM 692 NE2 HIS A 42 25.002 7.356 -8.776 1.00 0.00 N ATOM 0 H HIS A 42 20.316 3.431 -8.681 1.00 0.00 H new ATOM 0 HA HIS A 42 23.084 3.296 -9.038 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.810 5.094 -9.989 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.141 5.549 -8.434 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.849 5.481 -9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 42 24.331 8.932 -7.497 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.954 7.656 -8.986 1.00 0.00 H new ATOM 701 N GLU A 43 22.168 3.858 -5.953 1.00 0.00 N ATOM 702 CA GLU A 43 22.663 3.980 -4.587 1.00 0.00 C ATOM 703 C GLU A 43 22.985 2.609 -3.996 1.00 0.00 C ATOM 704 O GLU A 43 23.789 2.492 -3.068 1.00 0.00 O ATOM 705 CB GLU A 43 21.645 4.712 -3.706 1.00 0.00 C ATOM 706 CG GLU A 43 21.361 6.135 -4.166 1.00 0.00 C ATOM 707 CD GLU A 43 20.536 6.924 -3.170 1.00 0.00 C ATOM 708 OE1 GLU A 43 21.124 7.457 -2.203 1.00 0.00 O ATOM 709 OE2 GLU A 43 19.305 7.023 -3.346 1.00 0.00 O ATOM 0 H GLU A 43 21.155 3.762 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 43 23.583 4.564 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.712 4.148 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.014 4.736 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.306 6.651 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.837 6.105 -5.121 1.00 0.00 H new ATOM 716 N ALA A 44 22.367 1.573 -4.544 1.00 0.00 N ATOM 717 CA ALA A 44 22.572 0.215 -4.055 1.00 0.00 C ATOM 718 C ALA A 44 23.787 -0.440 -4.705 1.00 0.00 C ATOM 719 O ALA A 44 24.570 -1.115 -4.037 1.00 0.00 O ATOM 720 CB ALA A 44 21.330 -0.625 -4.299 1.00 0.00 C ATOM 0 H ALA A 44 21.719 1.646 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 44 22.760 0.274 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.497 -1.637 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.483 -0.182 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.118 -0.660 -5.368 1.00 0.00 H new ATOM 726 N THR A 45 23.935 -0.257 -6.009 1.00 0.00 N ATOM 727 CA THR A 45 25.035 -0.864 -6.737 1.00 0.00 C ATOM 728 C THR A 45 26.138 0.157 -6.999 1.00 0.00 C ATOM 729 O THR A 45 27.320 -0.130 -6.814 1.00 0.00 O ATOM 730 CB THR A 45 24.556 -1.465 -8.080 1.00 0.00 C ATOM 731 OG1 THR A 45 24.447 -0.447 -9.079 1.00 0.00 O ATOM 732 CG2 THR A 45 23.195 -2.124 -7.918 1.00 0.00 C ATOM 0 H THR A 45 23.307 0.306 -6.582 1.00 0.00 H new ATOM 0 HA THR A 45 25.431 -1.668 -6.117 1.00 0.00 H new ATOM 0 HB THR A 45 25.293 -2.207 -8.387 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.782 0.216 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.876 -2.540 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.263 -2.922 -7.179 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.469 -1.382 -7.585 1.00 0.00 H new ATOM 740 N GLY A 46 25.735 1.347 -7.426 1.00 0.00 N ATOM 741 CA GLY A 46 26.682 2.396 -7.726 1.00 0.00 C ATOM 742 C GLY A 46 26.573 2.869 -9.161 1.00 0.00 C ATOM 743 O GLY A 46 27.217 3.843 -9.549 1.00 0.00 O ATOM 0 H GLY A 46 24.758 1.603 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.515 3.238 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.693 2.035 -7.540 1.00 0.00 H new ATOM 747 N MET A 47 25.748 2.187 -9.951 1.00 0.00 N ATOM 748 CA MET A 47 25.599 2.521 -11.365 1.00 0.00 C ATOM 749 C MET A 47 24.471 3.526 -11.587 1.00 0.00 C ATOM 750 O MET A 47 23.316 3.277 -11.244 1.00 0.00 O ATOM 751 CB MET A 47 25.353 1.257 -12.195 1.00 0.00 C ATOM 752 CG MET A 47 24.026 0.573 -11.900 1.00 0.00 C ATOM 753 SD MET A 47 23.976 -1.151 -12.431 1.00 0.00 S ATOM 754 CE MET A 47 24.019 -0.976 -14.213 1.00 0.00 C ATOM 0 H MET A 47 25.175 1.403 -9.638 1.00 0.00 H new ATOM 0 HA MET A 47 26.530 2.983 -11.693 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.389 1.516 -13.253 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.163 0.551 -12.012 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.831 0.621 -10.829 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.225 1.122 -12.395 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.730 -1.689 -14.632 1.00 0.00 H new ATOM 0 HE2 MET A 47 23.027 -1.170 -14.622 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.326 0.037 -14.472 1.00 0.00 H new ATOM 764 N PRO A 48 24.805 4.691 -12.148 1.00 0.00 N ATOM 765 CA PRO A 48 23.817 5.716 -12.474 1.00 0.00 C ATOM 766 C PRO A 48 22.900 5.291 -13.612 1.00 0.00 C ATOM 767 O PRO A 48 23.256 4.433 -14.427 1.00 0.00 O ATOM 768 CB PRO A 48 24.658 6.927 -12.884 1.00 0.00 C ATOM 769 CG PRO A 48 25.994 6.382 -13.257 1.00 0.00 C ATOM 770 CD PRO A 48 26.178 5.108 -12.479 1.00 0.00 C ATOM 0 HA PRO A 48 23.155 5.918 -11.632 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.202 7.455 -13.722 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.741 7.641 -12.065 1.00 0.00 H new ATOM 0 HG2 PRO A 48 26.048 6.191 -14.329 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.782 7.096 -13.020 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.694 4.351 -13.069 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.773 5.271 -11.581 1.00 0.00 H new ATOM 778 N ALA A 49 21.728 5.912 -13.669 1.00 0.00 N ATOM 779 CA ALA A 49 20.725 5.604 -14.683 1.00 0.00 C ATOM 780 C ALA A 49 21.213 5.956 -16.088 1.00 0.00 C ATOM 781 O ALA A 49 20.562 5.629 -17.081 1.00 0.00 O ATOM 782 CB ALA A 49 19.438 6.349 -14.381 1.00 0.00 C ATOM 0 H ALA A 49 21.446 6.642 -13.015 1.00 0.00 H new ATOM 0 HA ALA A 49 20.542 4.530 -14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.694 6.114 -15.142 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.064 6.047 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.630 7.422 -14.381 1.00 0.00 H new ATOM 788 N GLY A 50 22.355 6.633 -16.159 1.00 0.00 N ATOM 789 CA GLY A 50 22.946 6.982 -17.434 1.00 0.00 C ATOM 790 C GLY A 50 23.254 5.765 -18.281 1.00 0.00 C ATOM 791 O GLY A 50 23.222 5.829 -19.510 1.00 0.00 O ATOM 0 H GLY A 50 22.885 6.948 -15.346 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.267 7.638 -17.979 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.864 7.544 -17.264 1.00 0.00 H new ATOM 795 N LYS A 51 23.542 4.645 -17.626 1.00 0.00 N ATOM 796 CA LYS A 51 23.902 3.429 -18.332 1.00 0.00 C ATOM 797 C LYS A 51 23.067 2.262 -17.834 1.00 0.00 C ATOM 798 O LYS A 51 23.078 1.181 -18.418 1.00 0.00 O ATOM 799 CB LYS A 51 25.396 3.096 -18.178 1.00 0.00 C ATOM 800 CG LYS A 51 26.270 4.221 -17.625 1.00 0.00 C ATOM 801 CD LYS A 51 26.076 4.402 -16.124 1.00 0.00 C ATOM 802 CE LYS A 51 26.167 3.083 -15.390 1.00 0.00 C ATOM 803 NZ LYS A 51 27.479 2.424 -15.607 1.00 0.00 N ATOM 0 H LYS A 51 23.532 4.558 -16.610 1.00 0.00 H new ATOM 0 HA LYS A 51 23.701 3.599 -19.390 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.491 2.231 -17.522 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.787 2.802 -19.152 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.318 4.003 -17.833 1.00 0.00 H new ATOM 0 HG3 LYS A 51 26.031 5.153 -18.138 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.831 5.087 -15.739 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.105 4.859 -15.934 1.00 0.00 H new ATOM 0 HE2 LYS A 51 26.015 3.249 -14.323 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.368 2.423 -15.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.524 1.548 -15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.591 2.197 -16.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.243 3.064 -15.309 1.00 0.00 H new ATOM 817 N GLN A 52 22.348 2.491 -16.752 1.00 0.00 N ATOM 818 CA GLN A 52 21.518 1.476 -16.145 1.00 0.00 C ATOM 819 C GLN A 52 20.109 1.531 -16.737 1.00 0.00 C ATOM 820 O GLN A 52 19.407 2.534 -16.619 1.00 0.00 O ATOM 821 CB GLN A 52 21.559 1.696 -14.627 1.00 0.00 C ATOM 822 CG GLN A 52 20.284 1.399 -13.860 1.00 0.00 C ATOM 823 CD GLN A 52 19.561 2.659 -13.427 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.604 3.096 -14.056 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.080 3.306 -12.398 1.00 0.00 N ATOM 0 H GLN A 52 22.325 3.390 -16.270 1.00 0.00 H new ATOM 0 HA GLN A 52 21.883 0.470 -16.353 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.356 1.077 -14.215 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.834 2.734 -14.441 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.621 0.799 -14.483 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.524 0.801 -12.981 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.877 2.912 -11.897 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.684 4.199 -12.104 1.00 0.00 H new ATOM 834 N LYS A 53 19.740 0.478 -17.455 1.00 0.00 N ATOM 835 CA LYS A 53 18.425 0.391 -18.076 1.00 0.00 C ATOM 836 C LYS A 53 17.505 -0.524 -17.280 1.00 0.00 C ATOM 837 O LYS A 53 17.939 -1.552 -16.754 1.00 0.00 O ATOM 838 CB LYS A 53 18.550 -0.138 -19.509 1.00 0.00 C ATOM 839 CG LYS A 53 19.505 0.648 -20.403 1.00 0.00 C ATOM 840 CD LYS A 53 18.877 1.914 -20.973 1.00 0.00 C ATOM 841 CE LYS A 53 18.836 3.049 -19.962 1.00 0.00 C ATOM 842 NZ LYS A 53 18.194 4.265 -20.521 1.00 0.00 N ATOM 0 H LYS A 53 20.337 -0.332 -17.622 1.00 0.00 H new ATOM 0 HA LYS A 53 17.996 1.393 -18.092 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.883 -1.175 -19.470 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.562 -0.137 -19.969 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.393 0.915 -19.831 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.834 0.011 -21.224 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.441 2.233 -21.850 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.864 1.694 -21.309 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.291 2.726 -19.075 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.851 3.288 -19.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.186 5.015 -19.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.728 4.589 -21.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.217 4.044 -20.802 1.00 0.00 H new ATOM 856 N LEU A 54 16.236 -0.148 -17.195 1.00 0.00 N ATOM 857 CA LEU A 54 15.242 -0.957 -16.502 1.00 0.00 C ATOM 858 C LEU A 54 14.211 -1.471 -17.502 1.00 0.00 C ATOM 859 O LEU A 54 13.671 -0.702 -18.296 1.00 0.00 O ATOM 860 CB LEU A 54 14.515 -0.156 -15.403 1.00 0.00 C ATOM 861 CG LEU A 54 15.386 0.576 -14.373 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.547 -0.294 -13.927 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.875 1.907 -14.925 1.00 0.00 C ATOM 0 H LEU A 54 15.870 0.714 -17.598 1.00 0.00 H new ATOM 0 HA LEU A 54 15.766 -1.788 -16.030 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.876 0.581 -15.889 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.859 -0.840 -14.865 1.00 0.00 H new ATOM 0 HG LEU A 54 14.772 0.784 -13.497 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.149 0.248 -13.197 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.164 -1.208 -13.474 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.164 -0.548 -14.789 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.490 2.407 -14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.467 1.733 -15.824 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.019 2.536 -15.170 1.00 0.00 H new ATOM 875 N GLN A 55 13.943 -2.765 -17.468 1.00 0.00 N ATOM 876 CA GLN A 55 12.961 -3.361 -18.366 1.00 0.00 C ATOM 877 C GLN A 55 11.850 -4.057 -17.585 1.00 0.00 C ATOM 878 O GLN A 55 12.103 -4.989 -16.834 1.00 0.00 O ATOM 879 CB GLN A 55 13.637 -4.364 -19.299 1.00 0.00 C ATOM 880 CG GLN A 55 12.654 -5.216 -20.080 1.00 0.00 C ATOM 881 CD GLN A 55 13.319 -6.357 -20.820 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.482 -7.450 -20.280 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.666 -6.125 -22.071 1.00 0.00 N ATOM 0 H GLN A 55 14.389 -3.425 -16.831 1.00 0.00 H new ATOM 0 HA GLN A 55 12.518 -2.558 -18.956 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.276 -3.825 -19.999 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.285 -5.015 -18.713 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.908 -5.620 -19.396 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.124 -4.587 -20.795 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.513 -5.203 -22.480 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.087 -6.867 -22.629 1.00 0.00 H new ATOM 892 N TYR A 56 10.621 -3.624 -17.790 1.00 0.00 N ATOM 893 CA TYR A 56 9.473 -4.223 -17.121 1.00 0.00 C ATOM 894 C TYR A 56 8.715 -5.118 -18.068 1.00 0.00 C ATOM 895 O TYR A 56 8.060 -4.648 -18.989 1.00 0.00 O ATOM 896 CB TYR A 56 8.557 -3.141 -16.544 1.00 0.00 C ATOM 897 CG TYR A 56 7.213 -3.642 -16.035 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.126 -4.742 -15.187 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.029 -3.005 -16.400 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.903 -5.196 -14.727 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.804 -3.455 -15.941 1.00 0.00 C ATOM 902 CZ TYR A 56 4.745 -4.550 -15.106 1.00 0.00 C ATOM 903 OH TYR A 56 3.523 -5.001 -14.651 1.00 0.00 O ATOM 0 H TYR A 56 10.387 -2.855 -18.418 1.00 0.00 H new ATOM 0 HA TYR A 56 9.838 -4.833 -16.295 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.077 -2.645 -15.725 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.380 -2.388 -17.312 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.029 -5.250 -14.883 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.068 -2.145 -17.052 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.855 -6.054 -14.073 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.896 -2.950 -16.236 1.00 0.00 H new ATOM 0 HH TYR A 56 2.810 -4.433 -15.011 1.00 0.00 H new ATOM 913 N GLU A 57 8.847 -6.417 -17.840 1.00 0.00 N ATOM 914 CA GLU A 57 8.164 -7.427 -18.638 1.00 0.00 C ATOM 915 C GLU A 57 8.475 -7.278 -20.125 1.00 0.00 C ATOM 916 O GLU A 57 7.659 -7.615 -20.984 1.00 0.00 O ATOM 917 CB GLU A 57 6.662 -7.331 -18.398 1.00 0.00 C ATOM 918 CG GLU A 57 6.265 -7.653 -16.973 1.00 0.00 C ATOM 919 CD GLU A 57 6.614 -9.073 -16.568 1.00 0.00 C ATOM 920 OE1 GLU A 57 6.029 -10.020 -17.134 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.483 -9.251 -15.688 1.00 0.00 O ATOM 0 H GLU A 57 9.430 -6.801 -17.097 1.00 0.00 H new ATOM 0 HA GLU A 57 8.524 -8.408 -18.329 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.325 -6.324 -18.644 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.148 -8.013 -19.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.760 -6.956 -16.297 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.192 -7.501 -16.857 1.00 0.00 H new ATOM 928 N GLY A 58 9.669 -6.785 -20.418 1.00 0.00 N ATOM 929 CA GLY A 58 10.096 -6.636 -21.800 1.00 0.00 C ATOM 930 C GLY A 58 9.846 -5.240 -22.328 1.00 0.00 C ATOM 931 O GLY A 58 9.809 -5.017 -23.539 1.00 0.00 O ATOM 0 H GLY A 58 10.353 -6.484 -19.724 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.158 -6.867 -21.877 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.567 -7.358 -22.422 1.00 0.00 H new ATOM 935 N ILE A 59 9.674 -4.303 -21.407 1.00 0.00 N ATOM 936 CA ILE A 59 9.419 -2.915 -21.741 1.00 0.00 C ATOM 937 C ILE A 59 10.473 -2.053 -21.081 1.00 0.00 C ATOM 938 O ILE A 59 10.503 -1.941 -19.857 1.00 0.00 O ATOM 939 CB ILE A 59 8.030 -2.457 -21.242 1.00 0.00 C ATOM 940 CG1 ILE A 59 6.959 -3.497 -21.583 1.00 0.00 C ATOM 941 CG2 ILE A 59 7.675 -1.104 -21.842 1.00 0.00 C ATOM 942 CD1 ILE A 59 5.631 -3.259 -20.892 1.00 0.00 C ATOM 0 H ILE A 59 9.708 -4.488 -20.404 1.00 0.00 H new ATOM 0 HA ILE A 59 9.448 -2.815 -22.826 1.00 0.00 H new ATOM 0 HB ILE A 59 8.069 -2.357 -20.157 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.801 -3.501 -22.661 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.327 -4.486 -21.311 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.694 -0.793 -21.483 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.421 -0.367 -21.545 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.655 -1.182 -22.929 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.925 -4.036 -21.184 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.773 -3.285 -19.812 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.239 -2.285 -21.183 1.00 0.00 H new ATOM 954 N PHE A 60 11.363 -1.483 -21.870 1.00 0.00 N ATOM 955 CA PHE A 60 12.390 -0.618 -21.323 1.00 0.00 C ATOM 956 C PHE A 60 11.790 0.698 -20.871 1.00 0.00 C ATOM 957 O PHE A 60 11.590 1.626 -21.659 1.00 0.00 O ATOM 958 CB PHE A 60 13.514 -0.390 -22.325 1.00 0.00 C ATOM 959 CG PHE A 60 14.455 -1.553 -22.426 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.194 -2.601 -23.290 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.608 -1.588 -21.660 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.070 -3.664 -23.393 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.486 -2.650 -21.755 1.00 0.00 C ATOM 964 CZ PHE A 60 16.217 -3.688 -22.623 1.00 0.00 C ATOM 0 H PHE A 60 11.396 -1.601 -22.883 1.00 0.00 H new ATOM 0 HA PHE A 60 12.822 -1.115 -20.454 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.083 -0.192 -23.307 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.074 0.500 -22.038 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.296 -2.588 -23.890 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.823 -0.776 -20.981 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.859 -4.475 -24.074 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.381 -2.668 -21.151 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.903 -4.519 -22.701 1.00 0.00 H new ATOM 974 N ILE A 61 11.478 0.745 -19.592 1.00 0.00 N ATOM 975 CA ILE A 61 10.844 1.906 -18.992 1.00 0.00 C ATOM 976 C ILE A 61 11.874 3.014 -18.771 1.00 0.00 C ATOM 977 O ILE A 61 13.084 2.770 -18.822 1.00 0.00 O ATOM 978 CB ILE A 61 10.160 1.538 -17.654 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.204 1.364 -16.536 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.324 0.272 -17.830 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.112 0.055 -15.776 1.00 0.00 C ATOM 0 H ILE A 61 11.655 -0.018 -18.938 1.00 0.00 H new ATOM 0 HA ILE A 61 10.076 2.265 -19.677 1.00 0.00 H new ATOM 0 HB ILE A 61 9.497 2.352 -17.360 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.200 1.445 -16.972 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.098 2.186 -15.829 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.845 0.018 -16.884 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.561 0.443 -18.589 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.969 -0.549 -18.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.887 0.024 -15.010 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.132 -0.024 -15.305 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.251 -0.777 -16.466 1.00 0.00 H new ATOM 993 N LYS A 62 11.405 4.232 -18.541 1.00 0.00 N ATOM 994 CA LYS A 62 12.313 5.350 -18.331 1.00 0.00 C ATOM 995 C LYS A 62 11.886 6.218 -17.156 1.00 0.00 C ATOM 996 O LYS A 62 10.747 6.154 -16.698 1.00 0.00 O ATOM 997 CB LYS A 62 12.445 6.203 -19.594 1.00 0.00 C ATOM 998 CG LYS A 62 11.139 6.744 -20.141 1.00 0.00 C ATOM 999 CD LYS A 62 10.829 6.132 -21.496 1.00 0.00 C ATOM 1000 CE LYS A 62 9.678 6.843 -22.183 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.288 6.176 -23.453 1.00 0.00 N ATOM 0 H LYS A 62 10.414 4.470 -18.495 1.00 0.00 H new ATOM 0 HA LYS A 62 13.287 4.922 -18.095 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.107 7.042 -19.380 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.927 5.606 -20.369 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.329 6.526 -19.444 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.199 7.829 -20.231 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.716 6.180 -22.128 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.583 5.077 -21.371 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.820 6.875 -21.512 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.961 7.876 -22.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.499 6.694 -23.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.099 6.168 -24.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.993 5.198 -23.255 1.00 0.00 H new ATOM 1015 N ASP A 63 12.830 7.038 -16.702 1.00 0.00 N ATOM 1016 CA ASP A 63 12.651 7.942 -15.561 1.00 0.00 C ATOM 1017 C ASP A 63 11.390 8.800 -15.721 1.00 0.00 C ATOM 1018 O ASP A 63 10.712 9.113 -14.746 1.00 0.00 O ATOM 1019 CB ASP A 63 13.905 8.832 -15.473 1.00 0.00 C ATOM 1020 CG ASP A 63 13.983 9.742 -14.255 1.00 0.00 C ATOM 1021 OD1 ASP A 63 12.982 9.911 -13.543 1.00 0.00 O ATOM 1022 OD2 ASP A 63 15.075 10.308 -14.013 1.00 0.00 O ATOM 0 H ASP A 63 13.758 7.097 -17.121 1.00 0.00 H new ATOM 0 HA ASP A 63 12.525 7.364 -14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.786 8.190 -15.481 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.953 9.450 -16.369 1.00 0.00 H new ATOM 1027 N SER A 64 11.058 9.130 -16.964 1.00 0.00 N ATOM 1028 CA SER A 64 9.928 10.010 -17.256 1.00 0.00 C ATOM 1029 C SER A 64 8.576 9.302 -17.100 1.00 0.00 C ATOM 1030 O SER A 64 7.529 9.896 -17.351 1.00 0.00 O ATOM 1031 CB SER A 64 10.063 10.571 -18.671 1.00 0.00 C ATOM 1032 OG SER A 64 11.274 11.295 -18.806 1.00 0.00 O ATOM 0 H SER A 64 11.557 8.801 -17.790 1.00 0.00 H new ATOM 0 HA SER A 64 9.951 10.821 -16.528 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.037 9.757 -19.395 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.217 11.222 -18.893 1.00 0.00 H new ATOM 0 HG SER A 64 11.345 11.646 -19.718 1.00 0.00 H new ATOM 1038 N ASN A 65 8.597 8.042 -16.685 1.00 0.00 N ATOM 1039 CA ASN A 65 7.370 7.288 -16.489 1.00 0.00 C ATOM 1040 C ASN A 65 7.236 6.864 -15.039 1.00 0.00 C ATOM 1041 O ASN A 65 8.171 7.005 -14.249 1.00 0.00 O ATOM 1042 CB ASN A 65 7.342 6.055 -17.388 1.00 0.00 C ATOM 1043 CG ASN A 65 7.307 6.399 -18.861 1.00 0.00 C ATOM 1044 OD1 ASN A 65 6.775 7.429 -19.264 1.00 0.00 O ATOM 1045 ND2 ASN A 65 7.879 5.531 -19.671 1.00 0.00 N ATOM 0 H ASN A 65 9.450 7.523 -16.478 1.00 0.00 H new ATOM 0 HA ASN A 65 6.532 7.934 -16.753 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.221 5.443 -17.184 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.469 5.451 -17.141 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.891 5.703 -20.676 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.310 4.687 -19.293 1.00 0.00 H new ATOM 1052 N SER A 66 6.085 6.321 -14.694 1.00 0.00 N ATOM 1053 CA SER A 66 5.811 5.942 -13.330 1.00 0.00 C ATOM 1054 C SER A 66 5.309 4.510 -13.271 1.00 0.00 C ATOM 1055 O SER A 66 5.047 3.892 -14.307 1.00 0.00 O ATOM 1056 CB SER A 66 4.784 6.898 -12.728 1.00 0.00 C ATOM 1057 OG SER A 66 3.593 6.914 -13.495 1.00 0.00 O ATOM 0 H SER A 66 5.324 6.133 -15.346 1.00 0.00 H new ATOM 0 HA SER A 66 6.732 6.003 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.558 6.597 -11.705 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.203 7.903 -12.679 1.00 0.00 H new ATOM 0 HG SER A 66 2.950 7.532 -13.088 1.00 0.00 H new ATOM 1063 N LEU A 67 5.174 3.988 -12.067 1.00 0.00 N ATOM 1064 CA LEU A 67 4.709 2.628 -11.881 1.00 0.00 C ATOM 1065 C LEU A 67 3.244 2.516 -12.295 1.00 0.00 C ATOM 1066 O LEU A 67 2.859 1.581 -12.999 1.00 0.00 O ATOM 1067 CB LEU A 67 4.890 2.217 -10.421 1.00 0.00 C ATOM 1068 CG LEU A 67 6.235 2.614 -9.808 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.249 2.333 -8.319 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.384 1.897 -10.497 1.00 0.00 C ATOM 0 H LEU A 67 5.380 4.487 -11.202 1.00 0.00 H new ATOM 0 HA LEU A 67 5.295 1.956 -12.508 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.091 2.664 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.776 1.136 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 67 6.368 3.685 -9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.214 2.622 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.458 2.905 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.085 1.269 -8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.327 2.198 -10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.257 0.820 -10.390 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.393 2.158 -11.555 1.00 0.00 H new ATOM 1082 N ALA A 68 2.438 3.484 -11.857 1.00 0.00 N ATOM 1083 CA ALA A 68 1.027 3.556 -12.228 1.00 0.00 C ATOM 1084 C ALA A 68 0.856 3.680 -13.737 1.00 0.00 C ATOM 1085 O ALA A 68 -0.108 3.173 -14.301 1.00 0.00 O ATOM 1086 CB ALA A 68 0.357 4.727 -11.527 1.00 0.00 C ATOM 0 H ALA A 68 2.744 4.235 -11.239 1.00 0.00 H new ATOM 0 HA ALA A 68 0.550 2.629 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.694 4.769 -11.812 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.435 4.598 -10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.849 5.655 -11.818 1.00 0.00 H new ATOM 1092 N TYR A 69 1.800 4.357 -14.379 1.00 0.00 N ATOM 1093 CA TYR A 69 1.784 4.536 -15.828 1.00 0.00 C ATOM 1094 C TYR A 69 1.846 3.185 -16.543 1.00 0.00 C ATOM 1095 O TYR A 69 1.145 2.957 -17.529 1.00 0.00 O ATOM 1096 CB TYR A 69 2.965 5.418 -16.246 1.00 0.00 C ATOM 1097 CG TYR A 69 3.105 5.625 -17.737 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.444 6.661 -18.385 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.918 4.793 -18.492 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.591 6.858 -19.744 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.068 4.980 -19.848 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.404 6.014 -20.472 1.00 0.00 C ATOM 1103 OH TYR A 69 3.560 6.214 -21.827 1.00 0.00 O ATOM 0 H TYR A 69 2.595 4.796 -13.914 1.00 0.00 H new ATOM 0 HA TYR A 69 0.852 5.023 -16.114 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.861 6.391 -15.766 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.885 4.973 -15.867 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.806 7.322 -17.818 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.443 3.983 -18.007 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.072 7.669 -20.234 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.703 4.320 -20.420 1.00 0.00 H new ATOM 0 HH TYR A 69 4.165 5.534 -22.190 1.00 0.00 H new ATOM 1113 N TYR A 70 2.696 2.298 -16.040 1.00 0.00 N ATOM 1114 CA TYR A 70 2.832 0.958 -16.601 1.00 0.00 C ATOM 1115 C TYR A 70 1.918 -0.046 -15.906 1.00 0.00 C ATOM 1116 O TYR A 70 1.958 -1.239 -16.210 1.00 0.00 O ATOM 1117 CB TYR A 70 4.282 0.484 -16.508 1.00 0.00 C ATOM 1118 CG TYR A 70 5.187 1.114 -17.536 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.190 0.658 -18.847 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.033 2.163 -17.203 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.014 1.224 -19.797 1.00 0.00 C ATOM 1122 CE2 TYR A 70 6.859 2.736 -18.149 1.00 0.00 C ATOM 1123 CZ TYR A 70 6.845 2.264 -19.445 1.00 0.00 C ATOM 1124 OH TYR A 70 7.670 2.829 -20.389 1.00 0.00 O ATOM 0 H TYR A 70 3.304 2.483 -15.242 1.00 0.00 H new ATOM 0 HA TYR A 70 2.534 1.016 -17.648 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.666 0.707 -15.512 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.310 -0.599 -16.626 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.536 -0.154 -19.128 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.045 2.536 -16.190 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.008 0.854 -20.811 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.513 3.550 -17.876 1.00 0.00 H new ATOM 0 HH TYR A 70 7.131 3.330 -21.037 1.00 0.00 H new ATOM 1134 N ASN A 71 1.097 0.443 -14.977 1.00 0.00 N ATOM 1135 CA ASN A 71 0.156 -0.404 -14.236 1.00 0.00 C ATOM 1136 C ASN A 71 0.887 -1.530 -13.509 1.00 0.00 C ATOM 1137 O ASN A 71 0.398 -2.658 -13.459 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.895 -1.003 -15.182 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.810 0.033 -15.816 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -2.240 -0.124 -16.960 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -2.124 1.089 -15.083 1.00 0.00 N ATOM 0 H ASN A 71 1.063 1.429 -14.717 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.342 0.225 -13.499 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.387 -1.557 -15.971 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.502 -1.720 -14.629 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.742 1.807 -15.462 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.749 1.185 -14.139 1.00 0.00 H new ATOM 1148 N MET A 72 2.055 -1.215 -12.948 1.00 0.00 N ATOM 1149 CA MET A 72 2.860 -2.206 -12.232 1.00 0.00 C ATOM 1150 C MET A 72 2.139 -2.731 -10.993 1.00 0.00 C ATOM 1151 O MET A 72 2.223 -2.145 -9.917 1.00 0.00 O ATOM 1152 CB MET A 72 4.214 -1.616 -11.818 1.00 0.00 C ATOM 1153 CG MET A 72 5.124 -1.269 -12.986 1.00 0.00 C ATOM 1154 SD MET A 72 6.755 -0.721 -12.446 1.00 0.00 S ATOM 1155 CE MET A 72 7.598 -0.536 -14.011 1.00 0.00 C ATOM 0 H MET A 72 2.465 -0.281 -12.975 1.00 0.00 H new ATOM 0 HA MET A 72 3.022 -3.037 -12.918 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.041 -0.717 -11.227 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.726 -2.329 -11.172 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.232 -2.141 -13.631 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.660 -0.485 -13.585 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.563 -1.041 -13.967 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.994 -0.976 -14.804 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.752 0.523 -14.218 1.00 0.00 H new ATOM 1165 N ALA A 73 1.414 -3.825 -11.160 1.00 0.00 N ATOM 1166 CA ALA A 73 0.737 -4.466 -10.048 1.00 0.00 C ATOM 1167 C ALA A 73 1.731 -5.254 -9.204 1.00 0.00 C ATOM 1168 O ALA A 73 2.917 -5.337 -9.543 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.373 -5.373 -10.564 1.00 0.00 C ATOM 0 H ALA A 73 1.280 -4.288 -12.059 1.00 0.00 H new ATOM 0 HA ALA A 73 0.290 -3.698 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.875 -5.849 -9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.094 -4.781 -11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.054 -6.138 -11.212 1.00 0.00 H new ATOM 1175 N ASN A 74 1.249 -5.828 -8.108 1.00 0.00 N ATOM 1176 CA ASN A 74 2.097 -6.604 -7.214 1.00 0.00 C ATOM 1177 C ASN A 74 2.766 -7.739 -7.959 1.00 0.00 C ATOM 1178 O ASN A 74 2.104 -8.641 -8.473 1.00 0.00 O ATOM 1179 CB ASN A 74 1.297 -7.164 -6.041 1.00 0.00 C ATOM 1180 CG ASN A 74 1.014 -6.121 -4.979 1.00 0.00 C ATOM 1181 OD1 ASN A 74 1.792 -5.954 -4.043 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -0.090 -5.406 -5.121 1.00 0.00 N ATOM 0 H ASN A 74 0.273 -5.770 -7.817 1.00 0.00 H new ATOM 0 HA ASN A 74 2.862 -5.932 -6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.354 -7.568 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.846 -7.993 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.322 -4.684 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.710 -5.576 -5.913 1.00 0.00 H new ATOM 1189 N GLY A 75 4.081 -7.682 -8.023 1.00 0.00 N ATOM 1190 CA GLY A 75 4.829 -8.711 -8.699 1.00 0.00 C ATOM 1191 C GLY A 75 5.430 -8.208 -9.988 1.00 0.00 C ATOM 1192 O GLY A 75 5.672 -8.983 -10.910 1.00 0.00 O ATOM 0 H GLY A 75 4.647 -6.937 -7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.622 -9.074 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.176 -9.558 -8.908 1.00 0.00 H new ATOM 1196 N ALA A 76 5.670 -6.905 -10.055 1.00 0.00 N ATOM 1197 CA ALA A 76 6.266 -6.316 -11.240 1.00 0.00 C ATOM 1198 C ALA A 76 7.738 -6.681 -11.311 1.00 0.00 C ATOM 1199 O ALA A 76 8.528 -6.279 -10.453 1.00 0.00 O ATOM 1200 CB ALA A 76 6.087 -4.812 -11.225 1.00 0.00 C ATOM 0 H ALA A 76 5.462 -6.243 -9.308 1.00 0.00 H new ATOM 0 HA ALA A 76 5.766 -6.710 -12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.539 -4.383 -12.119 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.024 -4.572 -11.205 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.570 -4.397 -10.340 1.00 0.00 H new ATOM 1206 N VAL A 77 8.101 -7.454 -12.320 1.00 0.00 N ATOM 1207 CA VAL A 77 9.470 -7.913 -12.463 1.00 0.00 C ATOM 1208 C VAL A 77 10.237 -7.025 -13.425 1.00 0.00 C ATOM 1209 O VAL A 77 10.048 -7.089 -14.643 1.00 0.00 O ATOM 1210 CB VAL A 77 9.542 -9.371 -12.965 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.978 -9.874 -12.948 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.645 -10.276 -12.137 1.00 0.00 C ATOM 0 H VAL A 77 7.467 -7.776 -13.051 1.00 0.00 H new ATOM 0 HA VAL A 77 9.921 -7.864 -11.472 1.00 0.00 H new ATOM 0 HB VAL A 77 9.184 -9.392 -13.994 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.007 -10.903 -13.305 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.591 -9.247 -13.596 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.366 -9.832 -11.930 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.714 -11.297 -12.511 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.963 -10.249 -11.095 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.613 -9.932 -12.210 1.00 0.00 H new ATOM 1222 N ILE A 78 11.091 -6.183 -12.876 1.00 0.00 N ATOM 1223 CA ILE A 78 11.938 -5.339 -13.692 1.00 0.00 C ATOM 1224 C ILE A 78 13.273 -6.023 -13.887 1.00 0.00 C ATOM 1225 O ILE A 78 13.767 -6.701 -12.996 1.00 0.00 O ATOM 1226 CB ILE A 78 12.175 -3.944 -13.066 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.881 -3.381 -12.475 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.738 -2.981 -14.099 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.693 -3.467 -13.395 1.00 0.00 C ATOM 0 H ILE A 78 11.216 -6.066 -11.870 1.00 0.00 H new ATOM 0 HA ILE A 78 11.427 -5.188 -14.643 1.00 0.00 H new ATOM 0 HB ILE A 78 12.901 -4.059 -12.261 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.652 -3.917 -11.554 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.042 -2.337 -12.205 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.897 -2.006 -13.639 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.687 -3.364 -14.475 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.034 -2.881 -14.925 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.818 -3.047 -12.899 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.898 -2.906 -14.307 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.502 -4.510 -13.646 1.00 0.00 H new ATOM 1241 N HIS A 79 13.834 -5.869 -15.060 1.00 0.00 N ATOM 1242 CA HIS A 79 15.117 -6.460 -15.379 1.00 0.00 C ATOM 1243 C HIS A 79 16.141 -5.359 -15.504 1.00 0.00 C ATOM 1244 O HIS A 79 16.061 -4.532 -16.411 1.00 0.00 O ATOM 1245 CB HIS A 79 15.057 -7.252 -16.692 1.00 0.00 C ATOM 1246 CG HIS A 79 14.067 -8.377 -16.696 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.384 -9.662 -17.076 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.753 -8.396 -16.382 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.305 -10.419 -17.002 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.301 -9.673 -16.582 1.00 0.00 N ATOM 0 H HIS A 79 13.419 -5.333 -15.822 1.00 0.00 H new ATOM 0 HA HIS A 79 15.391 -7.151 -14.581 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.812 -6.567 -17.504 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.047 -7.656 -16.903 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.167 -7.557 -16.037 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.253 -11.470 -17.244 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.345 -9.995 -16.431 1.00 0.00 H new ATOM 1259 N LEU A 80 17.073 -5.324 -14.574 1.00 0.00 N ATOM 1260 CA LEU A 80 18.148 -4.361 -14.641 1.00 0.00 C ATOM 1261 C LEU A 80 19.184 -4.851 -15.634 1.00 0.00 C ATOM 1262 O LEU A 80 19.556 -6.026 -15.626 1.00 0.00 O ATOM 1263 CB LEU A 80 18.797 -4.156 -13.274 1.00 0.00 C ATOM 1264 CG LEU A 80 20.059 -3.290 -13.289 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.747 -1.894 -13.791 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.691 -3.225 -11.913 1.00 0.00 C ATOM 0 H LEU A 80 17.107 -5.948 -13.768 1.00 0.00 H new ATOM 0 HA LEU A 80 17.740 -3.403 -14.962 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.067 -3.699 -12.605 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.047 -5.131 -12.855 1.00 0.00 H new ATOM 0 HG LEU A 80 20.772 -3.753 -13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.658 -1.296 -13.793 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.349 -1.952 -14.804 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.009 -1.429 -13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.586 -2.603 -11.952 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.981 -2.795 -11.207 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.961 -4.230 -11.589 1.00 0.00 H new ATOM 1278 N ALA A 81 19.631 -3.966 -16.492 1.00 0.00 N ATOM 1279 CA ALA A 81 20.616 -4.320 -17.484 1.00 0.00 C ATOM 1280 C ALA A 81 21.485 -3.130 -17.816 1.00 0.00 C ATOM 1281 O ALA A 81 21.012 -1.993 -17.853 1.00 0.00 O ATOM 1282 CB ALA A 81 19.928 -4.844 -18.732 1.00 0.00 C ATOM 0 H ALA A 81 19.327 -2.993 -16.523 1.00 0.00 H new ATOM 0 HA ALA A 81 21.256 -5.105 -17.080 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.678 -5.109 -19.477 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.339 -5.726 -18.480 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.272 -4.073 -19.137 1.00 0.00 H new ATOM 1288 N LEU A 82 22.760 -3.385 -18.027 1.00 0.00 N ATOM 1289 CA LEU A 82 23.655 -2.353 -18.495 1.00 0.00 C ATOM 1290 C LEU A 82 23.364 -2.111 -19.968 1.00 0.00 C ATOM 1291 O LEU A 82 23.200 -3.067 -20.728 1.00 0.00 O ATOM 1292 CB LEU A 82 25.115 -2.760 -18.273 1.00 0.00 C ATOM 1293 CG LEU A 82 26.145 -1.666 -18.547 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.778 -0.390 -17.810 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.526 -2.131 -18.124 1.00 0.00 C ATOM 0 H LEU A 82 23.196 -4.295 -17.882 1.00 0.00 H new ATOM 0 HA LEU A 82 23.496 -1.432 -17.935 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.229 -3.094 -17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.338 -3.615 -18.912 1.00 0.00 H new ATOM 0 HG LEU A 82 26.152 -1.459 -19.617 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.524 0.377 -18.018 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.800 -0.045 -18.144 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.747 -0.585 -16.738 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.252 -1.343 -18.324 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.522 -2.359 -17.058 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.797 -3.025 -18.686 1.00 0.00 H new