USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS : no HD1:sc= -2.69 K(o=-1.5,f=0.64) USER MOD Set 1.2: A 69 THR OG1 : rot 5:sc= 1.16 USER MOD Set 2.1: A 41 SER OG : rot -68:sc= 0.0283 USER MOD Set 2.2: A 43 MET CE :methyl -130:sc= -0.797 (180deg=-1.98!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0127) USER MOD Single : A 8 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.44) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.327 USER MOD Single : A 19 ASN : amide:sc= -0.0577 K(o=-0.058,f=-1.7!) USER MOD Single : A 20 MET CE :methyl -174:sc= -0.0158 (180deg=-0.141) USER MOD Single : A 24 THR OG1 : rot 81:sc= 0.901 USER MOD Single : A 29 ASN : amide:sc= -10.9! C(o=-11!,f=-24!) USER MOD Single : A 31 ASN : amide:sc= -0.525 K(o=-0.52,f=-1.3) USER MOD Single : A 33 HIS : no HE2:sc= -6.64! C(o=-6.6!,f=-4.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.183 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.947 K(o=-0.95,f=-17!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 17.765 5.675 -7.395 1.00 0.00 C HETATM 2 O ACE A 0 16.960 4.986 -6.770 1.00 0.00 O HETATM 3 CH3 ACE A 0 19.196 5.220 -7.578 1.00 0.00 C HETATM 0 H1 ACE A 0 19.413 5.122 -8.642 1.00 0.00 H new HETATM 0 H2 ACE A 0 19.870 5.953 -7.136 1.00 0.00 H new HETATM 0 H3 ACE A 0 19.337 4.256 -7.088 1.00 0.00 H new ATOM 7 N SER A 1 17.482 6.847 -7.955 1.00 0.00 N ATOM 8 CA SER A 1 16.131 7.480 -7.892 1.00 0.00 C ATOM 9 C SER A 1 15.071 6.864 -8.874 1.00 0.00 C ATOM 10 O SER A 1 15.411 6.203 -9.858 1.00 0.00 O ATOM 11 CB SER A 1 16.350 8.997 -8.117 1.00 0.00 C ATOM 12 OG SER A 1 15.152 9.737 -7.862 1.00 0.00 O ATOM 0 H SER A 1 18.169 7.399 -8.469 1.00 0.00 H new ATOM 0 HA SER A 1 15.685 7.284 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.146 9.353 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.677 9.172 -9.142 1.00 0.00 H new ATOM 0 HG SER A 1 15.319 10.691 -8.010 1.00 0.00 H new ATOM 18 N ARG A 2 13.761 7.012 -8.540 1.00 0.00 N ATOM 19 CA ARG A 2 12.606 6.457 -9.239 1.00 0.00 C ATOM 20 C ARG A 2 12.751 4.949 -9.436 1.00 0.00 C ATOM 21 O ARG A 2 12.758 4.454 -10.562 1.00 0.00 O ATOM 22 CB ARG A 2 12.422 7.149 -10.591 1.00 0.00 C ATOM 23 CG ARG A 2 11.962 8.593 -10.477 1.00 0.00 C ATOM 24 CD ARG A 2 11.044 8.981 -11.626 1.00 0.00 C ATOM 25 NE ARG A 2 9.636 8.742 -11.309 1.00 0.00 N ATOM 26 CZ ARG A 2 8.971 9.379 -10.348 1.00 0.00 C ATOM 27 NH1 ARG A 2 9.581 10.290 -9.600 1.00 0.00 N ATOM 28 NH2 ARG A 2 7.693 9.105 -10.132 1.00 0.00 N ATOM 0 H ARG A 2 13.484 7.558 -7.724 1.00 0.00 H new ATOM 0 HA ARG A 2 11.724 6.635 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 2 13.365 7.119 -11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.695 6.590 -11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.441 8.736 -9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.830 9.252 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.188 10.035 -11.865 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.317 8.413 -12.515 1.00 0.00 H new ATOM 0 HE ARG A 2 9.133 8.045 -11.858 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.565 10.505 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.066 10.775 -8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.218 8.405 -10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.184 9.594 -9.395 1.00 0.00 H new ATOM 42 N ARG A 3 12.863 4.229 -8.326 1.00 0.00 N ATOM 43 CA ARG A 3 13.004 2.776 -8.360 1.00 0.00 C ATOM 44 C ARG A 3 12.658 2.179 -7.000 1.00 0.00 C ATOM 45 O ARG A 3 13.480 2.182 -6.083 1.00 0.00 O ATOM 46 CB ARG A 3 14.428 2.385 -8.758 1.00 0.00 C ATOM 47 CG ARG A 3 14.596 0.899 -9.035 1.00 0.00 C ATOM 48 CD ARG A 3 15.299 0.193 -7.886 1.00 0.00 C ATOM 49 NE ARG A 3 16.717 0.542 -7.817 1.00 0.00 N ATOM 50 CZ ARG A 3 17.313 1.051 -6.738 1.00 0.00 C ATOM 51 NH1 ARG A 3 16.627 1.268 -5.622 1.00 0.00 N ATOM 52 NH2 ARG A 3 18.607 1.342 -6.776 1.00 0.00 N ATOM 0 H ARG A 3 12.859 4.628 -7.387 1.00 0.00 H new ATOM 0 HA ARG A 3 12.313 2.380 -9.105 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.715 2.947 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 3 15.112 2.677 -7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.618 0.446 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.168 0.761 -9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.814 0.457 -6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.196 -0.886 -8.005 1.00 0.00 H new ATOM 0 HE ARG A 3 17.288 0.386 -8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.632 1.045 -5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 3 17.095 1.658 -4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.142 1.176 -7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 3 19.067 1.731 -5.953 1.00 0.00 H new ATOM 66 N CYS A 4 11.435 1.677 -6.872 1.00 0.00 N ATOM 67 CA CYS A 4 10.983 1.090 -5.618 1.00 0.00 C ATOM 68 C CYS A 4 10.764 -0.410 -5.754 1.00 0.00 C ATOM 69 O CYS A 4 10.412 -0.906 -6.824 1.00 0.00 O ATOM 70 CB CYS A 4 9.707 1.785 -5.140 1.00 0.00 C ATOM 71 SG CYS A 4 9.789 3.606 -5.224 1.00 0.00 S ATOM 0 H CYS A 4 10.741 1.665 -7.619 1.00 0.00 H new ATOM 0 HA CYS A 4 11.764 1.240 -4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.868 1.440 -5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.504 1.486 -4.112 1.00 0.00 H new ATOM 76 N PRO A 5 10.994 -1.157 -4.661 1.00 0.00 N ATOM 77 CA PRO A 5 10.843 -2.610 -4.655 1.00 0.00 C ATOM 78 C PRO A 5 9.448 -3.069 -5.059 1.00 0.00 C ATOM 79 O PRO A 5 8.464 -2.350 -4.877 1.00 0.00 O ATOM 80 CB PRO A 5 11.124 -3.008 -3.203 1.00 0.00 C ATOM 81 CG PRO A 5 11.901 -1.876 -2.630 1.00 0.00 C ATOM 82 CD PRO A 5 11.438 -0.643 -3.352 1.00 0.00 C ATOM 0 HA PRO A 5 11.514 -3.072 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.197 -3.168 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.689 -3.939 -3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.727 -1.788 -1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.971 -2.029 -2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.627 -0.147 -2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.242 0.085 -3.458 1.00 0.00 H new ATOM 89 N GLY A 6 9.373 -4.284 -5.594 1.00 0.00 N ATOM 90 CA GLY A 6 8.098 -4.842 -6.002 1.00 0.00 C ATOM 91 C GLY A 6 7.637 -4.334 -7.350 1.00 0.00 C ATOM 92 O GLY A 6 8.209 -3.393 -7.905 1.00 0.00 O ATOM 0 H GLY A 6 10.176 -4.893 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.177 -5.929 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.345 -4.601 -5.252 1.00 0.00 H new ATOM 96 N LYS A 7 6.588 -4.957 -7.869 1.00 0.00 N ATOM 97 CA LYS A 7 6.024 -4.581 -9.156 1.00 0.00 C ATOM 98 C LYS A 7 5.385 -3.192 -9.081 1.00 0.00 C ATOM 99 O LYS A 7 5.052 -2.715 -7.993 1.00 0.00 O ATOM 100 CB LYS A 7 5.019 -5.642 -9.587 1.00 0.00 C ATOM 101 CG LYS A 7 4.457 -5.406 -10.969 1.00 0.00 C ATOM 102 CD LYS A 7 3.711 -6.629 -11.481 1.00 0.00 C ATOM 103 CE LYS A 7 4.657 -7.616 -12.145 1.00 0.00 C ATOM 104 NZ LYS A 7 5.053 -7.180 -13.513 1.00 0.00 N ATOM 0 H LYS A 7 6.107 -5.732 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 7 6.816 -4.527 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.499 -6.620 -9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.200 -5.669 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.783 -4.549 -10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.267 -5.158 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.196 -7.116 -10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.947 -6.319 -12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.549 -7.732 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.179 -8.594 -12.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.643 -7.914 -13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.201 -7.028 -14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.592 -6.293 -13.452 1.00 0.00 H new ATOM 118 N ASN A 8 5.250 -2.530 -10.236 1.00 0.00 N ATOM 119 CA ASN A 8 4.691 -1.176 -10.285 1.00 0.00 C ATOM 120 C ASN A 8 3.363 -1.104 -11.049 1.00 0.00 C ATOM 121 O ASN A 8 2.690 -0.079 -11.024 1.00 0.00 O ATOM 122 CB ASN A 8 5.703 -0.220 -10.922 1.00 0.00 C ATOM 123 CG ASN A 8 6.758 0.256 -9.939 1.00 0.00 C ATOM 124 OD1 ASN A 8 7.693 -0.476 -9.612 1.00 0.00 O ATOM 125 ND2 ASN A 8 6.618 1.491 -9.472 1.00 0.00 N ATOM 0 H ASN A 8 5.519 -2.908 -11.144 1.00 0.00 H new ATOM 0 HA ASN A 8 4.485 -0.881 -9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.191 -0.719 -11.759 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.176 0.643 -11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.301 1.868 -8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.827 2.062 -9.770 1.00 0.00 H new ATOM 132 N ALA A 9 2.993 -2.182 -11.727 1.00 0.00 N ATOM 133 CA ALA A 9 1.744 -2.212 -12.488 1.00 0.00 C ATOM 134 C ALA A 9 1.216 -3.637 -12.596 1.00 0.00 C ATOM 135 O ALA A 9 1.947 -4.549 -12.983 1.00 0.00 O ATOM 136 CB ALA A 9 1.954 -1.630 -13.877 1.00 0.00 C ATOM 0 H ALA A 9 3.535 -3.045 -11.768 1.00 0.00 H new ATOM 0 HA ALA A 9 1.009 -1.606 -11.959 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.015 -1.660 -14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.292 -0.597 -13.791 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.706 -2.215 -14.407 1.00 0.00 H new ATOM 142 N TRP A 10 -0.053 -3.829 -12.256 1.00 0.00 N ATOM 143 CA TRP A 10 -0.657 -5.155 -12.320 1.00 0.00 C ATOM 144 C TRP A 10 -1.775 -5.210 -13.356 1.00 0.00 C ATOM 145 O TRP A 10 -2.952 -5.276 -13.008 1.00 0.00 O ATOM 146 CB TRP A 10 -1.195 -5.561 -10.949 1.00 0.00 C ATOM 147 CG TRP A 10 -0.114 -5.859 -9.955 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.386 -7.085 -9.621 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.604 -4.907 -9.167 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.374 -6.948 -8.675 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.525 -5.620 -8.380 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.553 -3.521 -9.054 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.391 -4.987 -7.492 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.411 -2.889 -8.172 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.320 -3.622 -7.400 1.00 0.00 C ATOM 0 H TRP A 10 -0.679 -3.091 -11.936 1.00 0.00 H new ATOM 0 HA TRP A 10 0.119 -5.858 -12.623 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.825 -4.760 -10.562 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.829 -6.440 -11.061 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.054 -8.024 -10.039 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.908 -7.712 -8.260 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.145 -2.948 -9.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.093 -5.552 -6.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.379 -1.814 -8.078 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.978 -3.102 -6.719 1.00 0.00 H new ATOM 166 N PRO A 11 -1.425 -5.199 -14.651 1.00 0.00 N ATOM 167 CA PRO A 11 -2.417 -5.265 -15.728 1.00 0.00 C ATOM 168 C PRO A 11 -3.240 -6.543 -15.651 1.00 0.00 C ATOM 169 O PRO A 11 -4.432 -6.552 -15.964 1.00 0.00 O ATOM 170 CB PRO A 11 -1.572 -5.240 -17.008 1.00 0.00 C ATOM 171 CG PRO A 11 -0.195 -5.622 -16.579 1.00 0.00 C ATOM 172 CD PRO A 11 -0.048 -5.137 -15.165 1.00 0.00 C ATOM 0 HA PRO A 11 -3.137 -4.449 -15.677 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.961 -5.938 -17.749 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.581 -4.251 -17.466 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.054 -6.701 -16.637 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.555 -5.168 -17.227 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.627 -5.770 -14.589 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.353 -4.124 -15.125 1.00 0.00 H new ATOM 179 N GLU A 12 -2.594 -7.622 -15.220 1.00 0.00 N ATOM 180 CA GLU A 12 -3.258 -8.912 -15.087 1.00 0.00 C ATOM 181 C GLU A 12 -4.358 -8.874 -14.028 1.00 0.00 C ATOM 182 O GLU A 12 -5.171 -9.795 -13.940 1.00 0.00 O ATOM 183 CB GLU A 12 -2.240 -9.994 -14.746 1.00 0.00 C ATOM 184 CG GLU A 12 -1.431 -9.688 -13.505 1.00 0.00 C ATOM 185 CD GLU A 12 -0.004 -9.284 -13.822 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.180 -8.271 -14.531 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.927 -9.978 -13.363 1.00 0.00 O ATOM 0 H GLU A 12 -1.609 -7.627 -14.956 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.725 -9.144 -16.044 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.761 -10.941 -14.607 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.562 -10.124 -15.590 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.916 -8.886 -12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.421 -10.565 -12.857 1.00 0.00 H new ATOM 194 N LEU A 13 -4.392 -7.808 -13.230 1.00 0.00 N ATOM 195 CA LEU A 13 -5.410 -7.673 -12.197 1.00 0.00 C ATOM 196 C LEU A 13 -6.708 -7.138 -12.791 1.00 0.00 C ATOM 197 O LEU A 13 -7.779 -7.295 -12.207 1.00 0.00 O ATOM 198 CB LEU A 13 -4.938 -6.746 -11.072 1.00 0.00 C ATOM 199 CG LEU A 13 -3.981 -7.379 -10.060 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.700 -6.413 -8.919 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.554 -8.683 -9.527 1.00 0.00 C ATOM 0 H LEU A 13 -3.731 -7.033 -13.280 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.588 -8.664 -11.779 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.448 -5.881 -11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.813 -6.376 -10.537 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.041 -7.599 -10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.018 -6.879 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.247 -5.504 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.634 -6.163 -8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.860 -9.119 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.508 -8.488 -9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.706 -9.378 -10.353 1.00 0.00 H new ATOM 213 N VAL A 14 -6.609 -6.505 -13.959 1.00 0.00 N ATOM 214 CA VAL A 14 -7.781 -5.947 -14.624 1.00 0.00 C ATOM 215 C VAL A 14 -8.847 -7.020 -14.829 1.00 0.00 C ATOM 216 O VAL A 14 -8.640 -7.981 -15.570 1.00 0.00 O ATOM 217 CB VAL A 14 -7.408 -5.340 -15.989 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.622 -4.692 -16.640 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.272 -4.338 -15.836 1.00 0.00 C ATOM 0 H VAL A 14 -5.732 -6.367 -14.461 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.176 -5.160 -13.981 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.066 -6.144 -16.641 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.336 -4.269 -17.603 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.399 -5.442 -16.789 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.002 -3.900 -15.995 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.022 -3.920 -16.811 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.582 -3.536 -15.166 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.398 -4.840 -15.422 1.00 0.00 H new ATOM 229 N GLY A 15 -9.983 -6.858 -14.161 1.00 0.00 N ATOM 230 CA GLY A 15 -11.054 -7.827 -14.282 1.00 0.00 C ATOM 231 C GLY A 15 -11.238 -8.643 -13.015 1.00 0.00 C ATOM 232 O GLY A 15 -12.216 -9.377 -12.879 1.00 0.00 O ATOM 0 H GLY A 15 -10.181 -6.074 -13.539 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.984 -7.310 -14.517 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.843 -8.497 -15.116 1.00 0.00 H new ATOM 236 N LYS A 16 -10.297 -8.511 -12.083 1.00 0.00 N ATOM 237 CA LYS A 16 -10.368 -9.239 -10.822 1.00 0.00 C ATOM 238 C LYS A 16 -11.000 -8.371 -9.739 1.00 0.00 C ATOM 239 O LYS A 16 -10.989 -7.145 -9.830 1.00 0.00 O ATOM 240 CB LYS A 16 -8.970 -9.687 -10.387 1.00 0.00 C ATOM 241 CG LYS A 16 -8.651 -11.126 -10.753 1.00 0.00 C ATOM 242 CD LYS A 16 -8.878 -12.065 -9.578 1.00 0.00 C ATOM 243 CE LYS A 16 -8.975 -13.513 -10.030 1.00 0.00 C ATOM 244 NZ LYS A 16 -7.748 -14.285 -9.689 1.00 0.00 N ATOM 0 H LYS A 16 -9.480 -7.908 -12.178 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.991 -10.122 -10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.229 -9.032 -10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.879 -9.567 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.274 -11.435 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.614 -11.197 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.061 -11.960 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.794 -11.783 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.841 -13.982 -9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.137 -13.547 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.854 -15.267 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.925 -13.853 -10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.607 -14.275 -8.659 1.00 0.00 H new ATOM 258 N SER A 17 -11.552 -9.011 -8.712 1.00 0.00 N ATOM 259 CA SER A 17 -12.185 -8.286 -7.616 1.00 0.00 C ATOM 260 C SER A 17 -11.184 -7.357 -6.942 1.00 0.00 C ATOM 261 O SER A 17 -10.019 -7.711 -6.761 1.00 0.00 O ATOM 262 CB SER A 17 -12.749 -9.263 -6.584 1.00 0.00 C ATOM 263 OG SER A 17 -11.723 -9.738 -5.729 1.00 0.00 O ATOM 0 H SER A 17 -11.574 -10.026 -8.616 1.00 0.00 H new ATOM 0 HA SER A 17 -13.000 -7.692 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.522 -8.770 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.223 -10.103 -7.092 1.00 0.00 H new ATOM 0 HG SER A 17 -12.104 -10.360 -5.075 1.00 0.00 H new ATOM 269 N GLY A 18 -11.645 -6.171 -6.560 1.00 0.00 N ATOM 270 CA GLY A 18 -10.772 -5.215 -5.903 1.00 0.00 C ATOM 271 C GLY A 18 -10.018 -5.829 -4.738 1.00 0.00 C ATOM 272 O GLY A 18 -8.900 -5.419 -4.428 1.00 0.00 O ATOM 0 H GLY A 18 -12.606 -5.855 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.059 -4.820 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.363 -4.372 -5.546 1.00 0.00 H new ATOM 276 N ASN A 19 -10.631 -6.819 -4.092 1.00 0.00 N ATOM 277 CA ASN A 19 -10.009 -7.487 -2.953 1.00 0.00 C ATOM 278 C ASN A 19 -8.839 -8.358 -3.397 1.00 0.00 C ATOM 279 O ASN A 19 -7.729 -8.236 -2.875 1.00 0.00 O ATOM 280 CB ASN A 19 -11.037 -8.339 -2.205 1.00 0.00 C ATOM 281 CG ASN A 19 -10.645 -8.592 -0.762 1.00 0.00 C ATOM 282 OD1 ASN A 19 -9.665 -8.038 -0.266 1.00 0.00 O ATOM 283 ND2 ASN A 19 -11.410 -9.436 -0.078 1.00 0.00 N ATOM 0 H ASN A 19 -11.555 -7.175 -4.338 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.629 -6.716 -2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.006 -7.840 -2.232 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.155 -9.293 -2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.193 -9.646 0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.214 -9.874 -0.527 1.00 0.00 H new ATOM 290 N MET A 20 -9.090 -9.243 -4.358 1.00 0.00 N ATOM 291 CA MET A 20 -8.044 -10.127 -4.861 1.00 0.00 C ATOM 292 C MET A 20 -6.917 -9.309 -5.480 1.00 0.00 C ATOM 293 O MET A 20 -5.741 -9.646 -5.339 1.00 0.00 O ATOM 294 CB MET A 20 -8.615 -11.109 -5.888 1.00 0.00 C ATOM 295 CG MET A 20 -8.151 -12.542 -5.684 1.00 0.00 C ATOM 296 SD MET A 20 -9.354 -13.534 -4.778 1.00 0.00 S ATOM 297 CE MET A 20 -9.081 -12.955 -3.105 1.00 0.00 C ATOM 0 H MET A 20 -10.001 -9.366 -4.801 1.00 0.00 H new ATOM 0 HA MET A 20 -7.644 -10.700 -4.025 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.704 -11.078 -5.841 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.330 -10.783 -6.888 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.963 -13.001 -6.654 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.205 -12.541 -5.143 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.676 -13.550 -2.412 1.00 0.00 H new ATOM 0 HE2 MET A 20 -8.025 -13.053 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.376 -11.908 -3.030 1.00 0.00 H new ATOM 307 N ALA A 21 -7.283 -8.221 -6.149 1.00 0.00 N ATOM 308 CA ALA A 21 -6.304 -7.343 -6.771 1.00 0.00 C ATOM 309 C ALA A 21 -5.400 -6.719 -5.712 1.00 0.00 C ATOM 310 O ALA A 21 -4.177 -6.871 -5.755 1.00 0.00 O ATOM 311 CB ALA A 21 -7.002 -6.263 -7.584 1.00 0.00 C ATOM 0 H ALA A 21 -8.252 -7.928 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.685 -7.935 -7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.256 -5.614 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.607 -6.728 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.643 -5.672 -6.930 1.00 0.00 H new ATOM 317 N ALA A 22 -6.011 -6.033 -4.746 1.00 0.00 N ATOM 318 CA ALA A 22 -5.253 -5.400 -3.671 1.00 0.00 C ATOM 319 C ALA A 22 -4.357 -6.421 -2.983 1.00 0.00 C ATOM 320 O ALA A 22 -3.234 -6.109 -2.584 1.00 0.00 O ATOM 321 CB ALA A 22 -6.190 -4.748 -2.663 1.00 0.00 C ATOM 0 H ALA A 22 -7.021 -5.903 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.625 -4.622 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.604 -4.282 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.792 -3.989 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.845 -5.505 -2.233 1.00 0.00 H new ATOM 327 N ALA A 23 -4.861 -7.646 -2.853 1.00 0.00 N ATOM 328 CA ALA A 23 -4.100 -8.715 -2.225 1.00 0.00 C ATOM 329 C ALA A 23 -2.888 -9.069 -3.073 1.00 0.00 C ATOM 330 O ALA A 23 -1.789 -9.269 -2.557 1.00 0.00 O ATOM 331 CB ALA A 23 -4.977 -9.941 -2.014 1.00 0.00 C ATOM 0 H ALA A 23 -5.790 -7.919 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.754 -8.368 -1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.391 -10.731 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.818 -9.681 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.351 -10.291 -2.976 1.00 0.00 H new ATOM 337 N THR A 24 -3.094 -9.131 -4.386 1.00 0.00 N ATOM 338 CA THR A 24 -2.019 -9.451 -5.315 1.00 0.00 C ATOM 339 C THR A 24 -0.893 -8.430 -5.206 1.00 0.00 C ATOM 340 O THR A 24 0.282 -8.789 -5.182 1.00 0.00 O ATOM 341 CB THR A 24 -2.551 -9.491 -6.748 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.694 -10.322 -6.835 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.537 -9.999 -7.753 1.00 0.00 C ATOM 0 H THR A 24 -3.997 -8.963 -4.829 1.00 0.00 H new ATOM 0 HA THR A 24 -1.624 -10.433 -5.056 1.00 0.00 H new ATOM 0 HB THR A 24 -2.793 -8.457 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.484 -9.823 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.981 -10.001 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.662 -9.349 -7.747 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.238 -11.013 -7.487 1.00 0.00 H new ATOM 351 N VAL A 25 -1.264 -7.154 -5.140 1.00 0.00 N ATOM 352 CA VAL A 25 -0.284 -6.079 -5.036 1.00 0.00 C ATOM 353 C VAL A 25 0.486 -6.150 -3.720 1.00 0.00 C ATOM 354 O VAL A 25 1.716 -6.129 -3.712 1.00 0.00 O ATOM 355 CB VAL A 25 -0.952 -4.695 -5.154 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.092 -3.587 -5.170 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.833 -4.630 -6.393 1.00 0.00 C ATOM 0 H VAL A 25 -2.235 -6.841 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 25 0.412 -6.211 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.584 -4.546 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.405 -2.620 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.671 -3.619 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.759 -3.727 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.296 -3.645 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.226 -4.806 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.609 -5.392 -6.328 1.00 0.00 H new ATOM 367 N GLU A 26 -0.239 -6.224 -2.610 1.00 0.00 N ATOM 368 CA GLU A 26 0.392 -6.287 -1.296 1.00 0.00 C ATOM 369 C GLU A 26 1.206 -7.569 -1.128 1.00 0.00 C ATOM 370 O GLU A 26 2.199 -7.591 -0.403 1.00 0.00 O ATOM 371 CB GLU A 26 -0.664 -6.188 -0.194 1.00 0.00 C ATOM 372 CG GLU A 26 -1.624 -5.023 -0.376 1.00 0.00 C ATOM 373 CD GLU A 26 -1.689 -4.124 0.843 1.00 0.00 C ATOM 374 OE1 GLU A 26 -1.501 -4.634 1.968 1.00 0.00 O ATOM 375 OE2 GLU A 26 -1.930 -2.910 0.675 1.00 0.00 O ATOM 0 H GLU A 26 -1.259 -6.242 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 26 1.075 -5.441 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.234 -7.117 -0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.164 -6.089 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.316 -4.435 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.620 -5.409 -0.592 1.00 0.00 H new ATOM 382 N ARG A 27 0.780 -8.639 -1.797 1.00 0.00 N ATOM 383 CA ARG A 27 1.481 -9.919 -1.708 1.00 0.00 C ATOM 384 C ARG A 27 2.716 -9.925 -2.604 1.00 0.00 C ATOM 385 O ARG A 27 3.829 -10.180 -2.143 1.00 0.00 O ATOM 386 CB ARG A 27 0.548 -11.072 -2.089 1.00 0.00 C ATOM 387 CG ARG A 27 0.953 -12.411 -1.487 1.00 0.00 C ATOM 388 CD ARG A 27 1.314 -13.425 -2.561 1.00 0.00 C ATOM 389 NE ARG A 27 0.173 -13.751 -3.413 1.00 0.00 N ATOM 390 CZ ARG A 27 -0.689 -14.735 -3.162 1.00 0.00 C ATOM 391 NH1 ARG A 27 -0.548 -15.498 -2.083 1.00 0.00 N ATOM 392 NH2 ARG A 27 -1.698 -14.958 -3.993 1.00 0.00 N ATOM 0 H ARG A 27 -0.041 -8.646 -2.402 1.00 0.00 H new ATOM 0 HA ARG A 27 1.803 -10.056 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.465 -10.830 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.523 -11.164 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.804 -12.268 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.135 -12.799 -0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.123 -13.030 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.686 -14.335 -2.090 1.00 0.00 H new ATOM 0 HE ARG A 27 0.027 -13.190 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.225 -15.332 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.213 -16.249 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.813 -14.376 -4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.359 -15.711 -3.802 1.00 0.00 H new ATOM 406 N GLU A 28 2.515 -9.637 -3.889 1.00 0.00 N ATOM 407 CA GLU A 28 3.618 -9.605 -4.844 1.00 0.00 C ATOM 408 C GLU A 28 4.596 -8.490 -4.494 1.00 0.00 C ATOM 409 O GLU A 28 5.804 -8.626 -4.681 1.00 0.00 O ATOM 410 CB GLU A 28 3.090 -9.413 -6.267 1.00 0.00 C ATOM 411 CG GLU A 28 2.339 -10.620 -6.803 1.00 0.00 C ATOM 412 CD GLU A 28 1.994 -10.490 -8.274 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.335 -9.450 -8.875 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.381 -11.428 -8.825 1.00 0.00 O ATOM 0 H GLU A 28 1.602 -9.423 -4.290 1.00 0.00 H new ATOM 0 HA GLU A 28 4.142 -10.559 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.430 -8.546 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.927 -9.192 -6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.944 -11.514 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.422 -10.756 -6.230 1.00 0.00 H new ATOM 421 N ASN A 29 4.060 -7.389 -3.979 1.00 0.00 N ATOM 422 CA ASN A 29 4.875 -6.244 -3.592 1.00 0.00 C ATOM 423 C ASN A 29 4.624 -5.870 -2.134 1.00 0.00 C ATOM 424 O ASN A 29 3.890 -4.925 -1.840 1.00 0.00 O ATOM 425 CB ASN A 29 4.570 -5.047 -4.496 1.00 0.00 C ATOM 426 CG ASN A 29 5.406 -3.832 -4.142 1.00 0.00 C ATOM 427 OD1 ASN A 29 5.903 -3.714 -3.018 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.579 -2.929 -5.105 1.00 0.00 N ATOM 0 H ASN A 29 3.060 -7.265 -3.819 1.00 0.00 H new ATOM 0 HA ASN A 29 5.924 -6.519 -3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.754 -5.322 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.513 -4.794 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.142 -2.097 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.148 -3.069 -6.019 1.00 0.00 H new ATOM 435 N ARG A 30 5.253 -6.608 -1.226 1.00 0.00 N ATOM 436 CA ARG A 30 5.108 -6.352 0.202 1.00 0.00 C ATOM 437 C ARG A 30 5.690 -4.993 0.591 1.00 0.00 C ATOM 438 O ARG A 30 5.557 -4.564 1.737 1.00 0.00 O ATOM 439 CB ARG A 30 5.790 -7.459 1.007 1.00 0.00 C ATOM 440 CG ARG A 30 5.291 -7.566 2.439 1.00 0.00 C ATOM 441 CD ARG A 30 4.400 -8.783 2.632 1.00 0.00 C ATOM 442 NE ARG A 30 3.699 -8.751 3.913 1.00 0.00 N ATOM 443 CZ ARG A 30 2.673 -9.541 4.218 1.00 0.00 C ATOM 444 NH1 ARG A 30 2.219 -10.422 3.334 1.00 0.00 N ATOM 445 NH2 ARG A 30 2.096 -9.449 5.408 1.00 0.00 N ATOM 0 H ARG A 30 5.869 -7.389 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 30 4.042 -6.340 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.632 -8.413 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.865 -7.279 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.142 -7.626 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.738 -6.664 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.672 -8.832 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.005 -9.688 2.572 1.00 0.00 H new ATOM 0 HE ARG A 30 4.015 -8.083 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.657 -10.495 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.432 -11.025 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.439 -8.772 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.309 -10.055 5.642 1.00 0.00 H new ATOM 459 N ASN A 31 6.330 -4.312 -0.360 1.00 0.00 N ATOM 460 CA ASN A 31 6.917 -3.007 -0.092 1.00 0.00 C ATOM 461 C ASN A 31 5.915 -1.886 -0.361 1.00 0.00 C ATOM 462 O ASN A 31 6.220 -0.712 -0.159 1.00 0.00 O ATOM 463 CB ASN A 31 8.162 -2.804 -0.951 1.00 0.00 C ATOM 464 CG ASN A 31 8.881 -1.509 -0.632 1.00 0.00 C ATOM 465 OD1 ASN A 31 8.722 -0.510 -1.334 1.00 0.00 O ATOM 466 ND2 ASN A 31 9.675 -1.518 0.431 1.00 0.00 N ATOM 0 H ASN A 31 6.453 -4.644 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 31 7.195 -2.973 0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.844 -3.641 -0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.878 -2.809 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.183 -0.674 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.777 -2.369 0.984 1.00 0.00 H new ATOM 473 N VAL A 32 4.722 -2.254 -0.822 1.00 0.00 N ATOM 474 CA VAL A 32 3.693 -1.271 -1.122 1.00 0.00 C ATOM 475 C VAL A 32 2.326 -1.731 -0.631 1.00 0.00 C ATOM 476 O VAL A 32 2.156 -2.875 -0.212 1.00 0.00 O ATOM 477 CB VAL A 32 3.631 -0.989 -2.638 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.026 -0.729 -3.181 1.00 0.00 C ATOM 479 CG2 VAL A 32 2.975 -2.145 -3.382 1.00 0.00 C ATOM 0 H VAL A 32 4.448 -3.221 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 32 3.958 -0.353 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 32 3.022 -0.099 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.969 -0.531 -4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.458 0.134 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.653 -1.603 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.944 -1.921 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.551 -3.056 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.960 -2.287 -3.011 1.00 0.00 H new ATOM 489 N HIS A 33 1.353 -0.829 -0.694 1.00 0.00 N ATOM 490 CA HIS A 33 -0.006 -1.139 -0.266 1.00 0.00 C ATOM 491 C HIS A 33 -1.016 -0.637 -1.298 1.00 0.00 C ATOM 492 O HIS A 33 -0.887 0.472 -1.824 1.00 0.00 O ATOM 493 CB HIS A 33 -0.276 -0.551 1.132 1.00 0.00 C ATOM 494 CG HIS A 33 -1.167 0.657 1.151 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.358 0.702 1.847 1.00 0.00 N ATOM 496 CD2 HIS A 33 -1.033 1.870 0.562 1.00 0.00 C ATOM 497 CE1 HIS A 33 -2.916 1.888 1.684 1.00 0.00 C ATOM 498 NE2 HIS A 33 -2.134 2.613 0.909 1.00 0.00 N ATOM 0 H HIS A 33 1.480 0.123 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.119 -2.221 -0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.725 -1.325 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.678 -0.288 1.589 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.747 -0.061 2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.213 2.192 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.854 2.209 2.113 1.00 0.00 H new ATOM 507 N ALA A 34 -2.005 -1.470 -1.605 1.00 0.00 N ATOM 508 CA ALA A 34 -3.018 -1.113 -2.591 1.00 0.00 C ATOM 509 C ALA A 34 -4.345 -0.766 -1.931 1.00 0.00 C ATOM 510 O ALA A 34 -4.898 -1.557 -1.168 1.00 0.00 O ATOM 511 CB ALA A 34 -3.203 -2.248 -3.588 1.00 0.00 C ATOM 0 H ALA A 34 -2.126 -2.393 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.671 -0.226 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.962 -1.970 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.260 -2.441 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.520 -3.148 -3.060 1.00 0.00 H new ATOM 517 N ILE A 35 -4.856 0.420 -2.246 1.00 0.00 N ATOM 518 CA ILE A 35 -6.127 0.875 -1.700 1.00 0.00 C ATOM 519 C ILE A 35 -7.253 0.537 -2.666 1.00 0.00 C ATOM 520 O ILE A 35 -7.069 0.590 -3.881 1.00 0.00 O ATOM 521 CB ILE A 35 -6.123 2.392 -1.436 1.00 0.00 C ATOM 522 CG1 ILE A 35 -4.841 2.800 -0.707 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.348 2.793 -0.628 1.00 0.00 C ATOM 524 CD1 ILE A 35 -3.782 3.378 -1.620 1.00 0.00 C ATOM 0 H ILE A 35 -4.407 1.083 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.281 0.364 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.157 2.913 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.087 3.534 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.431 1.929 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.330 3.868 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.250 2.532 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.342 2.267 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.902 3.644 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.507 2.638 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.173 4.268 -2.113 1.00 0.00 H new ATOM 536 N VAL A 36 -8.410 0.166 -2.131 1.00 0.00 N ATOM 537 CA VAL A 36 -9.538 -0.196 -2.971 1.00 0.00 C ATOM 538 C VAL A 36 -10.531 0.951 -3.103 1.00 0.00 C ATOM 539 O VAL A 36 -11.173 1.356 -2.132 1.00 0.00 O ATOM 540 CB VAL A 36 -10.259 -1.437 -2.420 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.450 -1.805 -3.293 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.293 -2.605 -2.302 1.00 0.00 C ATOM 0 H VAL A 36 -8.588 0.109 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.138 -0.423 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.634 -1.201 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.944 -2.686 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.154 -0.973 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.107 -2.020 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.820 -3.475 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.885 -2.840 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.481 -2.338 -1.626 1.00 0.00 H new ATOM 552 N LEU A 37 -10.653 1.460 -4.322 1.00 0.00 N ATOM 553 CA LEU A 37 -11.566 2.555 -4.620 1.00 0.00 C ATOM 554 C LEU A 37 -12.216 2.367 -5.983 1.00 0.00 C ATOM 555 O LEU A 37 -11.601 1.847 -6.912 1.00 0.00 O ATOM 556 CB LEU A 37 -10.848 3.905 -4.542 1.00 0.00 C ATOM 557 CG LEU A 37 -9.341 3.876 -4.843 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.015 4.736 -6.053 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.559 4.332 -3.620 1.00 0.00 C ATOM 0 H LEU A 37 -10.124 1.127 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.353 2.547 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.326 4.591 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.993 4.316 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.049 2.852 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.943 4.700 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.554 4.360 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.314 5.766 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.492 4.309 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.853 5.348 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.771 3.666 -2.784 1.00 0.00 H new ATOM 571 N LYS A 38 -13.472 2.779 -6.089 1.00 0.00 N ATOM 572 CA LYS A 38 -14.216 2.644 -7.334 1.00 0.00 C ATOM 573 C LYS A 38 -13.924 3.801 -8.283 1.00 0.00 C ATOM 574 O LYS A 38 -13.587 4.906 -7.851 1.00 0.00 O ATOM 575 CB LYS A 38 -15.716 2.577 -7.047 1.00 0.00 C ATOM 576 CG LYS A 38 -16.072 1.666 -5.881 1.00 0.00 C ATOM 577 CD LYS A 38 -16.862 2.406 -4.813 1.00 0.00 C ATOM 578 CE LYS A 38 -18.165 2.960 -5.366 1.00 0.00 C ATOM 579 NZ LYS A 38 -19.176 1.888 -5.581 1.00 0.00 N ATOM 0 H LYS A 38 -13.997 3.210 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.897 1.719 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.083 3.582 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.233 2.229 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.655 0.820 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.160 1.260 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.075 1.731 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.259 3.222 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.565 3.704 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.971 3.471 -6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.050 2.306 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.805 1.191 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.380 1.417 -4.677 1.00 0.00 H new ATOM 593 N GLU A 39 -14.071 3.542 -9.579 1.00 0.00 N ATOM 594 CA GLU A 39 -13.832 4.559 -10.593 1.00 0.00 C ATOM 595 C GLU A 39 -14.704 5.780 -10.342 1.00 0.00 C ATOM 596 O GLU A 39 -15.918 5.745 -10.535 1.00 0.00 O ATOM 597 CB GLU A 39 -14.104 3.996 -11.990 1.00 0.00 C ATOM 598 CG GLU A 39 -13.250 4.627 -13.079 1.00 0.00 C ATOM 599 CD GLU A 39 -14.079 5.320 -14.142 1.00 0.00 C ATOM 600 OE1 GLU A 39 -14.513 6.467 -13.902 1.00 0.00 O ATOM 601 OE2 GLU A 39 -14.297 4.716 -15.213 1.00 0.00 O ATOM 0 H GLU A 39 -14.355 2.635 -9.950 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.786 4.860 -10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.928 2.920 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.156 4.144 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.568 5.348 -12.628 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.637 3.857 -13.547 1.00 0.00 H new ATOM 608 N GLY A 40 -14.071 6.854 -9.898 1.00 0.00 N ATOM 609 CA GLY A 40 -14.792 8.075 -9.611 1.00 0.00 C ATOM 610 C GLY A 40 -14.462 8.622 -8.238 1.00 0.00 C ATOM 611 O GLY A 40 -14.835 9.747 -7.908 1.00 0.00 O ATOM 0 H GLY A 40 -13.066 6.902 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.552 8.823 -10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.864 7.887 -9.678 1.00 0.00 H new ATOM 615 N SER A 41 -13.755 7.828 -7.434 1.00 0.00 N ATOM 616 CA SER A 41 -13.380 8.263 -6.095 1.00 0.00 C ATOM 617 C SER A 41 -12.375 9.410 -6.171 1.00 0.00 C ATOM 618 O SER A 41 -11.726 9.613 -7.198 1.00 0.00 O ATOM 619 CB SER A 41 -12.804 7.100 -5.284 1.00 0.00 C ATOM 620 OG SER A 41 -12.626 7.465 -3.926 1.00 0.00 O ATOM 0 H SER A 41 -13.435 6.892 -7.685 1.00 0.00 H new ATOM 0 HA SER A 41 -14.277 8.618 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.472 6.241 -5.349 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.849 6.793 -5.710 1.00 0.00 H new ATOM 0 HG SER A 41 -11.910 8.131 -3.857 1.00 0.00 H new ATOM 626 N ALA A 42 -12.257 10.162 -5.083 1.00 0.00 N ATOM 627 CA ALA A 42 -11.340 11.303 -5.029 1.00 0.00 C ATOM 628 C ALA A 42 -9.938 10.873 -4.610 1.00 0.00 C ATOM 629 O ALA A 42 -9.614 10.866 -3.422 1.00 0.00 O ATOM 630 CB ALA A 42 -11.875 12.356 -4.071 1.00 0.00 C ATOM 0 H ALA A 42 -12.784 10.005 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.272 11.728 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.187 13.201 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.852 12.697 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.971 11.926 -3.074 1.00 0.00 H new ATOM 636 N MET A 43 -9.111 10.503 -5.587 1.00 0.00 N ATOM 637 CA MET A 43 -7.756 10.065 -5.312 1.00 0.00 C ATOM 638 C MET A 43 -6.738 10.956 -6.021 1.00 0.00 C ATOM 639 O MET A 43 -6.944 11.363 -7.164 1.00 0.00 O ATOM 640 CB MET A 43 -7.603 8.620 -5.754 1.00 0.00 C ATOM 641 CG MET A 43 -8.120 7.638 -4.715 1.00 0.00 C ATOM 642 SD MET A 43 -9.875 7.828 -4.387 1.00 0.00 S ATOM 643 CE MET A 43 -9.910 7.673 -2.603 1.00 0.00 C ATOM 0 H MET A 43 -9.362 10.500 -6.576 1.00 0.00 H new ATOM 0 HA MET A 43 -7.567 10.140 -4.241 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.141 8.471 -6.690 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.552 8.413 -5.954 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.927 6.621 -5.056 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.565 7.773 -3.787 1.00 0.00 H new ATOM 0 HE1 MET A 43 -10.670 6.946 -2.316 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.935 7.339 -2.248 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.147 8.640 -2.158 1.00 0.00 H new ATOM 653 N THR A 44 -5.648 11.267 -5.328 1.00 0.00 N ATOM 654 CA THR A 44 -4.607 12.120 -5.886 1.00 0.00 C ATOM 655 C THR A 44 -3.977 11.483 -7.121 1.00 0.00 C ATOM 656 O THR A 44 -4.086 10.272 -7.338 1.00 0.00 O ATOM 657 CB THR A 44 -3.528 12.397 -4.837 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.452 11.334 -3.907 1.00 0.00 O ATOM 659 CG2 THR A 44 -3.763 13.676 -4.057 1.00 0.00 C ATOM 0 H THR A 44 -5.463 10.941 -4.379 1.00 0.00 H new ATOM 0 HA THR A 44 -5.069 13.061 -6.183 1.00 0.00 H new ATOM 0 HB THR A 44 -2.599 12.500 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.010 11.646 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.962 13.812 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.778 14.523 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.718 13.614 -3.536 1.00 0.00 H new ATOM 667 N LYS A 45 -3.316 12.315 -7.922 1.00 0.00 N ATOM 668 CA LYS A 45 -2.657 11.858 -9.140 1.00 0.00 C ATOM 669 C LYS A 45 -1.174 11.606 -8.895 1.00 0.00 C ATOM 670 O LYS A 45 -0.539 10.837 -9.616 1.00 0.00 O ATOM 671 CB LYS A 45 -2.825 12.886 -10.250 1.00 0.00 C ATOM 672 CG LYS A 45 -4.089 12.700 -11.073 1.00 0.00 C ATOM 673 CD LYS A 45 -4.812 14.021 -11.292 1.00 0.00 C ATOM 674 CE LYS A 45 -6.313 13.874 -11.111 1.00 0.00 C ATOM 675 NZ LYS A 45 -6.829 14.751 -10.023 1.00 0.00 N ATOM 0 H LYS A 45 -3.223 13.315 -7.747 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.124 10.921 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.832 13.883 -9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.961 12.836 -10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.835 12.259 -12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.754 12.000 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.432 14.765 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.600 14.390 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.817 14.120 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.551 12.835 -10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.857 14.622 -9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.367 14.500 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.624 15.745 -10.252 1.00 0.00 H new ATOM 689 N ASP A 46 -0.629 12.271 -7.878 1.00 0.00 N ATOM 690 CA ASP A 46 0.785 12.135 -7.525 1.00 0.00 C ATOM 691 C ASP A 46 1.239 10.680 -7.602 1.00 0.00 C ATOM 692 O ASP A 46 0.419 9.762 -7.631 1.00 0.00 O ATOM 693 CB ASP A 46 1.035 12.687 -6.120 1.00 0.00 C ATOM 694 CG ASP A 46 0.661 14.152 -6.002 1.00 0.00 C ATOM 695 OD1 ASP A 46 -0.550 14.452 -5.956 1.00 0.00 O ATOM 696 OD2 ASP A 46 1.578 14.997 -5.957 1.00 0.00 O ATOM 0 H ASP A 46 -1.148 12.914 -7.280 1.00 0.00 H new ATOM 0 HA ASP A 46 1.366 12.710 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.460 12.108 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.087 12.561 -5.865 1.00 0.00 H new ATOM 701 N PHE A 47 2.551 10.479 -7.641 1.00 0.00 N ATOM 702 CA PHE A 47 3.117 9.138 -7.729 1.00 0.00 C ATOM 703 C PHE A 47 3.642 8.660 -6.374 1.00 0.00 C ATOM 704 O PHE A 47 4.388 9.372 -5.700 1.00 0.00 O ATOM 705 CB PHE A 47 4.238 9.110 -8.768 1.00 0.00 C ATOM 706 CG PHE A 47 5.016 7.829 -8.773 1.00 0.00 C ATOM 707 CD1 PHE A 47 4.589 6.753 -9.528 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.162 7.697 -8.008 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.291 5.565 -9.522 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.872 6.513 -8.000 1.00 0.00 C ATOM 711 CZ PHE A 47 6.434 5.444 -8.754 1.00 0.00 C ATOM 0 H PHE A 47 3.243 11.228 -7.613 1.00 0.00 H new ATOM 0 HA PHE A 47 2.322 8.458 -8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.810 9.270 -9.758 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.920 9.939 -8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.696 6.843 -10.129 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.504 8.529 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.948 4.731 -10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.769 6.424 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.983 4.514 -8.744 1.00 0.00 H new ATOM 721 N ARG A 48 3.246 7.447 -5.992 1.00 0.00 N ATOM 722 CA ARG A 48 3.669 6.851 -4.727 1.00 0.00 C ATOM 723 C ARG A 48 3.827 5.336 -4.873 1.00 0.00 C ATOM 724 O ARG A 48 2.848 4.621 -5.095 1.00 0.00 O ATOM 725 CB ARG A 48 2.660 7.167 -3.622 1.00 0.00 C ATOM 726 CG ARG A 48 2.592 8.642 -3.261 1.00 0.00 C ATOM 727 CD ARG A 48 1.385 8.950 -2.390 1.00 0.00 C ATOM 728 NE ARG A 48 1.490 8.321 -1.074 1.00 0.00 N ATOM 729 CZ ARG A 48 1.268 8.952 0.080 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.910 10.230 0.096 1.00 0.00 N ATOM 731 NH2 ARG A 48 1.402 8.296 1.225 1.00 0.00 N ATOM 0 H ARG A 48 2.628 6.854 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 48 4.634 7.279 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.672 6.833 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.919 6.595 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.503 8.931 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.546 9.238 -4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.289 10.029 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.480 8.603 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 48 1.750 7.335 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.802 10.740 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.743 10.702 0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.674 7.313 1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.233 8.775 2.110 1.00 0.00 H new ATOM 745 N CYS A 49 5.064 4.857 -4.764 1.00 0.00 N ATOM 746 CA CYS A 49 5.350 3.429 -4.892 1.00 0.00 C ATOM 747 C CYS A 49 4.582 2.609 -3.865 1.00 0.00 C ATOM 748 O CYS A 49 4.097 1.521 -4.167 1.00 0.00 O ATOM 749 CB CYS A 49 6.846 3.158 -4.724 1.00 0.00 C ATOM 750 SG CYS A 49 7.923 4.155 -5.801 1.00 0.00 S ATOM 0 H CYS A 49 5.885 5.436 -4.587 1.00 0.00 H new ATOM 0 HA CYS A 49 5.032 3.130 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.121 3.343 -3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.035 2.103 -4.920 1.00 0.00 H new ATOM 755 N ASP A 50 4.484 3.120 -2.647 1.00 0.00 N ATOM 756 CA ASP A 50 3.789 2.407 -1.587 1.00 0.00 C ATOM 757 C ASP A 50 2.279 2.563 -1.695 1.00 0.00 C ATOM 758 O ASP A 50 1.545 2.062 -0.851 1.00 0.00 O ATOM 759 CB ASP A 50 4.254 2.901 -0.220 1.00 0.00 C ATOM 760 CG ASP A 50 3.973 4.376 -0.010 1.00 0.00 C ATOM 761 OD1 ASP A 50 3.998 5.134 -1.003 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.728 4.773 1.148 1.00 0.00 O ATOM 0 H ASP A 50 4.875 4.020 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 50 4.031 1.350 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.756 2.325 0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.324 2.720 -0.116 1.00 0.00 H new ATOM 767 N ARG A 51 1.814 3.253 -2.732 1.00 0.00 N ATOM 768 CA ARG A 51 0.389 3.456 -2.918 1.00 0.00 C ATOM 769 C ARG A 51 -0.055 2.976 -4.292 1.00 0.00 C ATOM 770 O ARG A 51 0.404 3.479 -5.317 1.00 0.00 O ATOM 771 CB ARG A 51 0.034 4.932 -2.744 1.00 0.00 C ATOM 772 CG ARG A 51 -1.458 5.178 -2.590 1.00 0.00 C ATOM 773 CD ARG A 51 -1.797 6.657 -2.705 1.00 0.00 C ATOM 774 NE ARG A 51 -1.863 7.101 -4.093 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.800 8.377 -4.466 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.657 9.335 -3.559 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.872 8.695 -5.751 1.00 0.00 N ATOM 0 H ARG A 51 2.402 3.677 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.135 2.872 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.552 5.322 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.400 5.491 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.000 4.620 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.791 4.802 -1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.754 6.848 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.047 7.242 -2.173 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.963 6.392 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.595 9.095 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.609 10.311 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.976 7.962 -6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.824 9.673 -6.038 1.00 0.00 H new ATOM 791 N VAL A 52 -0.955 2.004 -4.299 1.00 0.00 N ATOM 792 CA VAL A 52 -1.481 1.459 -5.542 1.00 0.00 C ATOM 793 C VAL A 52 -2.996 1.610 -5.575 1.00 0.00 C ATOM 794 O VAL A 52 -3.701 1.035 -4.746 1.00 0.00 O ATOM 795 CB VAL A 52 -1.111 -0.027 -5.721 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.618 -0.549 -7.058 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.395 -0.215 -5.605 1.00 0.00 C ATOM 0 H VAL A 52 -1.337 1.576 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.031 2.020 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.592 -0.601 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.347 -1.599 -7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.703 -0.448 -7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.168 0.026 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.641 -1.269 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.895 0.371 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.729 0.118 -4.622 1.00 0.00 H new ATOM 807 N TRP A 53 -3.490 2.394 -6.528 1.00 0.00 N ATOM 808 CA TRP A 53 -4.926 2.629 -6.650 1.00 0.00 C ATOM 809 C TRP A 53 -5.608 1.452 -7.327 1.00 0.00 C ATOM 810 O TRP A 53 -5.252 1.065 -8.441 1.00 0.00 O ATOM 811 CB TRP A 53 -5.214 3.894 -7.478 1.00 0.00 C ATOM 812 CG TRP A 53 -4.954 5.221 -6.809 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.557 6.373 -7.430 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.090 5.552 -5.422 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.460 7.396 -6.519 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.762 6.909 -5.280 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.454 4.835 -4.292 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -4.788 7.558 -4.053 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.481 5.477 -3.072 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.146 6.828 -2.961 1.00 0.00 C ATOM 0 H TRP A 53 -2.921 2.876 -7.224 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.316 2.757 -5.640 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.614 3.849 -8.387 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.260 3.868 -7.785 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.349 6.465 -8.486 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.205 8.360 -6.733 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.713 3.789 -4.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.533 8.604 -3.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.766 4.926 -2.188 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.171 7.303 -1.991 1.00 0.00 H new ATOM 831 N VAL A 54 -6.603 0.897 -6.650 1.00 0.00 N ATOM 832 CA VAL A 54 -7.358 -0.217 -7.185 1.00 0.00 C ATOM 833 C VAL A 54 -8.729 0.281 -7.621 1.00 0.00 C ATOM 834 O VAL A 54 -9.683 0.270 -6.842 1.00 0.00 O ATOM 835 CB VAL A 54 -7.503 -1.336 -6.139 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.544 -2.364 -6.564 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.160 -2.006 -5.893 1.00 0.00 C ATOM 0 H VAL A 54 -6.904 1.205 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.826 -0.631 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.846 -0.883 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.621 -3.140 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.511 -1.875 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.246 -2.813 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.278 -2.796 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.792 -2.436 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.447 -1.268 -5.527 1.00 0.00 H new ATOM 847 N ILE A 55 -8.807 0.753 -8.860 1.00 0.00 N ATOM 848 CA ILE A 55 -10.048 1.291 -9.396 1.00 0.00 C ATOM 849 C ILE A 55 -10.987 0.184 -9.853 1.00 0.00 C ATOM 850 O ILE A 55 -10.695 -0.557 -10.797 1.00 0.00 O ATOM 851 CB ILE A 55 -9.781 2.270 -10.556 1.00 0.00 C ATOM 852 CG1 ILE A 55 -8.732 3.307 -10.144 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.067 2.967 -10.965 1.00 0.00 C ATOM 854 CD1 ILE A 55 -7.304 2.859 -10.368 1.00 0.00 C ATOM 0 H ILE A 55 -8.023 0.773 -9.512 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.532 1.837 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.402 1.704 -11.407 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.906 4.226 -10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.866 3.545 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.863 3.655 -11.785 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.797 2.224 -11.288 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.466 3.522 -10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.621 3.648 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.110 1.957 -9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.150 2.649 -11.426 1.00 0.00 H new ATOM 866 N VAL A 56 -12.116 0.071 -9.164 1.00 0.00 N ATOM 867 CA VAL A 56 -13.103 -0.946 -9.481 1.00 0.00 C ATOM 868 C VAL A 56 -14.441 -0.325 -9.869 1.00 0.00 C ATOM 869 O VAL A 56 -14.682 0.859 -9.639 1.00 0.00 O ATOM 870 CB VAL A 56 -13.316 -1.912 -8.294 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.006 -2.578 -7.900 1.00 0.00 C ATOM 872 CG2 VAL A 56 -13.918 -1.175 -7.106 1.00 0.00 C ATOM 0 H VAL A 56 -12.368 0.674 -8.381 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.713 -1.506 -10.331 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.014 -2.689 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.179 -3.254 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.616 -3.142 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.284 -1.816 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.061 -1.872 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.245 -0.376 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.880 -0.749 -7.392 1.00 0.00 H new ATOM 882 N ASN A 57 -15.312 -1.141 -10.453 1.00 0.00 N ATOM 883 CA ASN A 57 -16.631 -0.679 -10.871 1.00 0.00 C ATOM 884 C ASN A 57 -17.624 -0.750 -9.716 1.00 0.00 C ATOM 885 O ASN A 57 -17.252 -1.036 -8.579 1.00 0.00 O ATOM 886 CB ASN A 57 -17.138 -1.505 -12.056 1.00 0.00 C ATOM 887 CG ASN A 57 -17.323 -2.970 -11.708 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.372 -3.343 -10.536 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.428 -3.810 -12.732 1.00 0.00 N ATOM 0 H ASN A 57 -15.129 -2.125 -10.648 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.541 0.362 -11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.087 -1.094 -12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.433 -1.418 -12.883 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.555 -4.808 -12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.382 -3.457 -13.688 1.00 0.00 H new ATOM 896 N ASP A 58 -18.890 -0.481 -10.014 1.00 0.00 N ATOM 897 CA ASP A 58 -19.938 -0.506 -9.001 1.00 0.00 C ATOM 898 C ASP A 58 -20.068 -1.890 -8.367 1.00 0.00 C ATOM 899 O ASP A 58 -20.597 -2.028 -7.265 1.00 0.00 O ATOM 900 CB ASP A 58 -21.278 -0.093 -9.614 1.00 0.00 C ATOM 901 CG ASP A 58 -21.241 1.303 -10.204 1.00 0.00 C ATOM 902 OD1 ASP A 58 -21.067 2.269 -9.432 1.00 0.00 O ATOM 903 OD2 ASP A 58 -21.385 1.430 -11.438 1.00 0.00 O ATOM 0 H ASP A 58 -19.216 -0.243 -10.951 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.661 0.203 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.553 -0.805 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.054 -0.140 -8.850 1.00 0.00 H new ATOM 908 N HIS A 59 -19.595 -2.913 -9.074 1.00 0.00 N ATOM 909 CA HIS A 59 -19.674 -4.284 -8.577 1.00 0.00 C ATOM 910 C HIS A 59 -18.441 -4.654 -7.753 1.00 0.00 C ATOM 911 O HIS A 59 -18.433 -5.673 -7.061 1.00 0.00 O ATOM 912 CB HIS A 59 -19.830 -5.260 -9.746 1.00 0.00 C ATOM 913 CG HIS A 59 -21.257 -5.515 -10.119 1.00 0.00 C ATOM 914 ND1 HIS A 59 -22.070 -6.390 -9.428 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.021 -4.996 -11.110 1.00 0.00 C ATOM 916 CE1 HIS A 59 -23.271 -6.400 -9.979 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.266 -5.563 -11.000 1.00 0.00 N ATOM 0 H HIS A 59 -19.155 -2.820 -9.989 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.547 -4.352 -7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.300 -4.865 -10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.355 -6.206 -9.486 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.709 -4.272 -11.848 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.113 -6.992 -9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.060 -5.369 -11.610 1.00 0.00 H new ATOM 926 N GLY A 60 -17.402 -3.828 -7.830 1.00 0.00 N ATOM 927 CA GLY A 60 -16.186 -4.102 -7.086 1.00 0.00 C ATOM 928 C GLY A 60 -15.161 -4.840 -7.922 1.00 0.00 C ATOM 929 O GLY A 60 -14.297 -5.538 -7.389 1.00 0.00 O ATOM 0 H GLY A 60 -17.380 -2.977 -8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.758 -3.164 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.427 -4.694 -6.203 1.00 0.00 H new ATOM 933 N VAL A 61 -15.259 -4.676 -9.237 1.00 0.00 N ATOM 934 CA VAL A 61 -14.342 -5.316 -10.166 1.00 0.00 C ATOM 935 C VAL A 61 -13.295 -4.317 -10.636 1.00 0.00 C ATOM 936 O VAL A 61 -13.626 -3.180 -10.959 1.00 0.00 O ATOM 937 CB VAL A 61 -15.099 -5.877 -11.387 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.176 -6.706 -12.265 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.296 -6.700 -10.936 1.00 0.00 C ATOM 0 H VAL A 61 -15.972 -4.099 -9.684 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.854 -6.141 -9.647 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.461 -5.037 -11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.734 -7.090 -13.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.354 -6.083 -12.619 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.777 -7.540 -11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.820 -7.089 -11.809 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.955 -7.530 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.973 -6.071 -10.357 1.00 0.00 H new ATOM 949 N VAL A 62 -12.033 -4.727 -10.658 1.00 0.00 N ATOM 950 CA VAL A 62 -10.965 -3.837 -11.089 1.00 0.00 C ATOM 951 C VAL A 62 -11.083 -3.543 -12.578 1.00 0.00 C ATOM 952 O VAL A 62 -10.820 -4.404 -13.418 1.00 0.00 O ATOM 953 CB VAL A 62 -9.570 -4.421 -10.776 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.466 -3.500 -11.279 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.422 -4.662 -9.280 1.00 0.00 C ATOM 0 H VAL A 62 -11.727 -5.661 -10.385 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.072 -2.908 -10.530 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.476 -5.374 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.494 -3.935 -11.045 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.558 -3.377 -12.358 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.554 -2.528 -10.794 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.434 -5.074 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.541 -3.719 -8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.185 -5.366 -8.948 1.00 0.00 H new ATOM 965 N THR A 63 -11.492 -2.319 -12.894 1.00 0.00 N ATOM 966 CA THR A 63 -11.657 -1.901 -14.281 1.00 0.00 C ATOM 967 C THR A 63 -10.368 -1.300 -14.823 1.00 0.00 C ATOM 968 O THR A 63 -10.060 -1.429 -16.007 1.00 0.00 O ATOM 969 CB THR A 63 -12.791 -0.884 -14.403 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.462 0.317 -13.728 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.107 -1.379 -13.845 1.00 0.00 C ATOM 0 H THR A 63 -11.715 -1.598 -12.207 1.00 0.00 H new ATOM 0 HA THR A 63 -11.906 -2.784 -14.869 1.00 0.00 H new ATOM 0 HB THR A 63 -12.912 -0.716 -15.473 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.199 0.956 -13.819 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.867 -0.606 -13.965 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.415 -2.277 -14.381 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.989 -1.611 -12.786 1.00 0.00 H new ATOM 979 N SER A 64 -9.621 -0.642 -13.948 1.00 0.00 N ATOM 980 CA SER A 64 -8.367 -0.019 -14.340 1.00 0.00 C ATOM 981 C SER A 64 -7.180 -0.845 -13.860 1.00 0.00 C ATOM 982 O SER A 64 -7.273 -1.564 -12.867 1.00 0.00 O ATOM 983 CB SER A 64 -8.277 1.400 -13.780 1.00 0.00 C ATOM 984 OG SER A 64 -7.635 2.271 -14.696 1.00 0.00 O ATOM 0 H SER A 64 -9.862 -0.526 -12.964 1.00 0.00 H new ATOM 0 HA SER A 64 -8.339 0.029 -15.429 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.278 1.772 -13.561 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.728 1.388 -12.839 1.00 0.00 H new ATOM 0 HG SER A 64 -7.592 3.173 -14.315 1.00 0.00 H new ATOM 990 N VAL A 65 -6.069 -0.732 -14.576 1.00 0.00 N ATOM 991 CA VAL A 65 -4.852 -1.464 -14.240 1.00 0.00 C ATOM 992 C VAL A 65 -4.285 -1.017 -12.892 1.00 0.00 C ATOM 993 O VAL A 65 -3.703 0.063 -12.789 1.00 0.00 O ATOM 994 CB VAL A 65 -3.780 -1.254 -15.317 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.572 -2.141 -15.059 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.355 -1.505 -16.703 1.00 0.00 C ATOM 0 H VAL A 65 -5.984 -0.136 -15.399 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.119 -2.519 -14.182 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.449 -0.216 -15.271 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.826 -1.974 -15.836 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.144 -1.899 -14.086 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.879 -3.187 -15.070 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.579 -1.351 -17.452 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.721 -2.530 -16.765 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.178 -0.814 -16.886 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.420 -1.846 -11.840 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.891 -1.509 -10.521 1.00 0.00 C ATOM 1008 C PRO A 66 -2.381 -1.325 -10.559 1.00 0.00 C ATOM 1009 O PRO A 66 -1.627 -2.277 -10.392 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.255 -2.710 -9.640 1.00 0.00 C ATOM 1011 CG PRO A 66 -5.267 -3.491 -10.407 1.00 0.00 C ATOM 1012 CD PRO A 66 -5.065 -3.166 -11.862 1.00 0.00 C ATOM 0 HA PRO A 66 -4.304 -0.571 -10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.375 -3.317 -9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.659 -2.383 -8.682 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.144 -4.560 -10.230 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.277 -3.229 -10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.438 -3.909 -12.355 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.012 -3.140 -12.401 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.947 -0.097 -10.793 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.528 0.207 -10.859 1.00 0.00 C ATOM 1021 C HIS A 67 -0.133 1.248 -9.823 1.00 0.00 C ATOM 1022 O HIS A 67 -0.900 2.155 -9.499 1.00 0.00 O ATOM 1023 CB HIS A 67 -0.153 0.709 -12.253 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.826 1.996 -12.630 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -0.487 2.721 -13.752 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -1.820 2.693 -12.025 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -1.241 3.804 -13.819 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -2.057 3.809 -12.784 1.00 0.00 N ATOM 0 H HIS A 67 -2.558 0.706 -10.940 1.00 0.00 H new ATOM 0 HA HIS A 67 0.013 -0.715 -10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.927 0.846 -12.302 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.411 -0.055 -12.987 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.330 2.419 -11.113 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.196 4.558 -14.591 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.752 4.527 -12.581 1.00 0.00 H new ATOM 1037 N ILE A 68 1.085 1.110 -9.326 1.00 0.00 N ATOM 1038 CA ILE A 68 1.637 2.026 -8.343 1.00 0.00 C ATOM 1039 C ILE A 68 1.368 3.477 -8.746 1.00 0.00 C ATOM 1040 O ILE A 68 1.811 3.935 -9.798 1.00 0.00 O ATOM 1041 CB ILE A 68 3.158 1.763 -8.190 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.456 1.183 -6.812 1.00 0.00 C ATOM 1043 CG2 ILE A 68 3.983 3.019 -8.433 1.00 0.00 C ATOM 1044 CD1 ILE A 68 4.850 0.608 -6.689 1.00 0.00 C ATOM 0 H ILE A 68 1.720 0.358 -9.594 1.00 0.00 H new ATOM 0 HA ILE A 68 1.152 1.857 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 68 3.445 1.038 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.326 1.963 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.728 0.402 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.042 2.787 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.802 3.383 -9.444 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.697 3.787 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.993 0.213 -5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.978 -0.194 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.584 1.391 -6.880 1.00 0.00 H new ATOM 1056 N THR A 69 0.616 4.184 -7.911 1.00 0.00 N ATOM 1057 CA THR A 69 0.275 5.576 -8.185 1.00 0.00 C ATOM 1058 C THR A 69 -0.194 6.278 -6.912 1.00 0.00 C ATOM 1059 O THR A 69 0.628 6.989 -6.294 1.00 0.00 O ATOM 1060 CB THR A 69 -0.805 5.645 -9.274 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.239 5.413 -10.550 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.532 6.974 -9.336 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.375 6.107 -6.545 1.00 0.00 O ATOM 0 H THR A 69 0.231 3.818 -7.040 1.00 0.00 H new ATOM 0 HA THR A 69 1.166 6.092 -8.543 1.00 0.00 H new ATOM 0 HB THR A 69 -1.526 4.873 -9.004 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.708 5.182 -10.451 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.279 6.944 -10.130 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.024 7.164 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.817 7.771 -9.541 1.00 0.00 H new TER 1071 THR A 69