USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 13 THR OG1 : rot -81:sc= -1.91 USER MOD Set 1.2: A 51 GLN : amide:sc= -4.7! C(o=-6.6!,f=-8.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -172:sc= -0.763! USER MOD Single : A 20 SER OG : rot 172:sc= 0.0542 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.564! (180deg=0.249!) USER MOD Single : A 39 ASN : amide:sc=-0.00589 K(o=-0.0059,f=-2.4!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 45 MET CE :methyl -146:sc= 0 (180deg=-2.01!) USER MOD Single : A 46 ASN : amide:sc= -0.0957 K(o=-0.096,f=-0.9) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.51 F(o=-1.5,f=-0.51) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.294 (180deg=-1.2!) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0176 F(o=-0.97,f=-0.018) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.205) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 0.363 14.541 -0.734 1.00 0.00 N ATOM 2 CA ILE A 6 1.457 14.717 0.262 1.00 0.00 C ATOM 3 C ILE A 6 2.720 13.992 -0.271 1.00 0.00 C ATOM 4 O ILE A 6 2.611 12.935 -0.854 1.00 0.00 O ATOM 5 CB ILE A 6 0.979 14.123 1.625 1.00 0.00 C ATOM 6 CG1 ILE A 6 0.684 15.260 2.619 1.00 0.00 C ATOM 7 CG2 ILE A 6 2.033 13.188 2.238 1.00 0.00 C ATOM 8 CD1 ILE A 6 0.009 14.695 3.871 1.00 0.00 C ATOM 0 HA ILE A 6 1.703 15.768 0.414 1.00 0.00 H new ATOM 0 HB ILE A 6 0.075 13.546 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.610 15.766 2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.039 16.005 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.664 12.795 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.229 12.362 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.955 13.743 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.197 15.505 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.926 14.210 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.669 13.967 4.343 1.00 0.00 H new ATOM 20 N PRO A 7 3.911 14.528 -0.076 1.00 0.00 N ATOM 21 CA PRO A 7 5.154 13.857 -0.563 1.00 0.00 C ATOM 22 C PRO A 7 5.226 12.383 -0.134 1.00 0.00 C ATOM 23 O PRO A 7 5.133 12.053 1.031 1.00 0.00 O ATOM 24 CB PRO A 7 6.304 14.669 0.050 1.00 0.00 C ATOM 25 CG PRO A 7 5.719 16.006 0.402 1.00 0.00 C ATOM 26 CD PRO A 7 4.209 15.803 0.611 1.00 0.00 C ATOM 0 HA PRO A 7 5.193 13.837 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.705 14.173 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.127 14.776 -0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.182 16.402 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.903 16.728 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.958 15.752 1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.635 16.627 0.187 1.00 0.00 H new ATOM 34 N ILE A 8 5.391 11.505 -1.082 1.00 0.00 N ATOM 35 CA ILE A 8 5.472 10.052 -0.790 1.00 0.00 C ATOM 36 C ILE A 8 6.314 9.781 0.481 1.00 0.00 C ATOM 37 O ILE A 8 6.011 8.891 1.251 1.00 0.00 O ATOM 38 CB ILE A 8 6.110 9.385 -2.015 1.00 0.00 C ATOM 39 CG1 ILE A 8 5.888 7.883 -1.953 1.00 0.00 C ATOM 40 CG2 ILE A 8 7.592 9.696 -2.058 1.00 0.00 C ATOM 41 CD1 ILE A 8 6.514 7.220 -3.184 1.00 0.00 C ATOM 0 H ILE A 8 5.475 11.742 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 8 4.478 9.647 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 8 5.645 9.774 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.331 7.477 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.821 7.664 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.039 9.219 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.736 10.775 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.069 9.318 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.354 6.143 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.050 7.618 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.584 7.427 -3.204 1.00 0.00 H new ATOM 53 N TRP A 9 7.372 10.526 0.700 1.00 0.00 N ATOM 54 CA TRP A 9 8.231 10.289 1.916 1.00 0.00 C ATOM 55 C TRP A 9 7.613 10.985 3.138 1.00 0.00 C ATOM 56 O TRP A 9 8.242 11.091 4.173 1.00 0.00 O ATOM 57 CB TRP A 9 9.659 10.842 1.669 1.00 0.00 C ATOM 58 CG TRP A 9 9.578 11.922 0.648 1.00 0.00 C ATOM 59 CD1 TRP A 9 9.224 13.204 0.890 1.00 0.00 C ATOM 60 CD2 TRP A 9 9.802 11.820 -0.780 1.00 0.00 C ATOM 61 NE1 TRP A 9 9.220 13.894 -0.303 1.00 0.00 N ATOM 62 CE2 TRP A 9 9.558 13.083 -1.362 1.00 0.00 C ATOM 63 CE3 TRP A 9 10.186 10.760 -1.620 1.00 0.00 C ATOM 64 CZ2 TRP A 9 9.680 13.289 -2.730 1.00 0.00 C ATOM 65 CZ3 TRP A 9 10.303 10.963 -3.001 1.00 0.00 C ATOM 66 CH2 TRP A 9 10.047 12.225 -3.552 1.00 0.00 C ATOM 0 H TRP A 9 7.681 11.286 0.095 1.00 0.00 H new ATOM 0 HA TRP A 9 8.288 9.217 2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.081 11.229 2.597 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.319 10.046 1.326 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.984 13.619 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.994 14.885 -0.390 1.00 0.00 H new ATOM 0 HE3 TRP A 9 10.391 9.787 -1.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.492 14.265 -3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.592 10.144 -3.643 1.00 0.00 H new ATOM 0 HH2 TRP A 9 10.134 12.374 -4.618 1.00 0.00 H new ATOM 77 N GLU A 10 6.394 11.456 3.029 1.00 0.00 N ATOM 78 CA GLU A 10 5.733 12.147 4.188 1.00 0.00 C ATOM 79 C GLU A 10 4.439 11.404 4.544 1.00 0.00 C ATOM 80 O GLU A 10 3.944 11.505 5.649 1.00 0.00 O ATOM 81 CB GLU A 10 5.421 13.609 3.801 1.00 0.00 C ATOM 82 CG GLU A 10 6.599 14.521 4.174 1.00 0.00 C ATOM 83 CD GLU A 10 6.234 15.976 3.880 1.00 0.00 C ATOM 84 OE1 GLU A 10 5.058 16.295 3.942 1.00 0.00 O ATOM 85 OE2 GLU A 10 7.136 16.748 3.599 1.00 0.00 O ATOM 0 H GLU A 10 5.824 11.393 2.185 1.00 0.00 H new ATOM 0 HA GLU A 10 6.396 12.144 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.225 13.675 2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.518 13.943 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.843 14.403 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.486 14.236 3.608 1.00 0.00 H new ATOM 92 N ARG A 11 3.889 10.649 3.628 1.00 0.00 N ATOM 93 CA ARG A 11 2.635 9.901 3.943 1.00 0.00 C ATOM 94 C ARG A 11 2.993 8.634 4.733 1.00 0.00 C ATOM 95 O ARG A 11 4.032 8.034 4.535 1.00 0.00 O ATOM 96 CB ARG A 11 1.888 9.539 2.639 1.00 0.00 C ATOM 97 CG ARG A 11 2.896 9.374 1.486 1.00 0.00 C ATOM 98 CD ARG A 11 2.274 8.646 0.268 1.00 0.00 C ATOM 99 NE ARG A 11 2.028 9.631 -0.843 1.00 0.00 N ATOM 100 CZ ARG A 11 1.103 10.544 -0.765 1.00 0.00 C ATOM 101 NH1 ARG A 11 0.268 10.547 0.235 1.00 0.00 N ATOM 102 NH2 ARG A 11 0.975 11.426 -1.720 1.00 0.00 N ATOM 0 H ARG A 11 4.250 10.519 2.683 1.00 0.00 H new ATOM 0 HA ARG A 11 1.976 10.525 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.325 8.616 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.167 10.319 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.256 10.355 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.762 8.814 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.942 7.856 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.338 8.169 0.557 1.00 0.00 H new ATOM 0 HE ARG A 11 2.604 9.582 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.338 9.833 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.455 11.264 0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.599 11.399 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.251 12.142 -1.660 1.00 0.00 H new ATOM 116 N TYR A 12 2.134 8.231 5.632 1.00 0.00 N ATOM 117 CA TYR A 12 2.403 7.010 6.449 1.00 0.00 C ATOM 118 C TYR A 12 1.916 5.786 5.673 1.00 0.00 C ATOM 119 O TYR A 12 2.191 4.657 6.027 1.00 0.00 O ATOM 120 CB TYR A 12 1.658 7.120 7.791 1.00 0.00 C ATOM 121 CG TYR A 12 0.365 7.878 7.592 1.00 0.00 C ATOM 122 CD1 TYR A 12 0.381 9.276 7.493 1.00 0.00 C ATOM 123 CD2 TYR A 12 -0.848 7.185 7.504 1.00 0.00 C ATOM 124 CE1 TYR A 12 -0.814 9.980 7.304 1.00 0.00 C ATOM 125 CE2 TYR A 12 -2.044 7.888 7.317 1.00 0.00 C ATOM 126 CZ TYR A 12 -2.027 9.285 7.217 1.00 0.00 C ATOM 127 OH TYR A 12 -3.207 9.977 7.032 1.00 0.00 O ATOM 0 H TYR A 12 1.251 8.699 5.837 1.00 0.00 H new ATOM 0 HA TYR A 12 3.471 6.914 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.451 6.126 8.186 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.282 7.631 8.524 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.317 9.811 7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.861 6.108 7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.801 11.057 7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.980 7.353 7.250 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.954 9.344 6.992 1.00 0.00 H new ATOM 137 N THR A 13 1.200 6.016 4.607 1.00 0.00 N ATOM 138 CA THR A 13 0.685 4.895 3.768 1.00 0.00 C ATOM 139 C THR A 13 0.896 5.279 2.306 1.00 0.00 C ATOM 140 O THR A 13 0.770 6.427 1.955 1.00 0.00 O ATOM 141 CB THR A 13 -0.814 4.699 4.048 1.00 0.00 C ATOM 142 OG1 THR A 13 -1.439 5.971 4.137 1.00 0.00 O ATOM 143 CG2 THR A 13 -1.035 3.935 5.371 1.00 0.00 C ATOM 0 H THR A 13 0.946 6.947 4.276 1.00 0.00 H new ATOM 0 HA THR A 13 1.207 3.965 3.995 1.00 0.00 H new ATOM 0 HB THR A 13 -1.246 4.116 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.292 6.346 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.104 3.810 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.560 2.956 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.597 4.499 6.194 1.00 0.00 H new ATOM 151 N LEU A 14 1.241 4.343 1.455 1.00 0.00 N ATOM 152 CA LEU A 14 1.491 4.682 0.012 1.00 0.00 C ATOM 153 C LEU A 14 0.311 4.245 -0.863 1.00 0.00 C ATOM 154 O LEU A 14 -0.347 3.262 -0.602 1.00 0.00 O ATOM 155 CB LEU A 14 2.777 3.968 -0.451 1.00 0.00 C ATOM 156 CG LEU A 14 3.990 4.871 -0.212 1.00 0.00 C ATOM 157 CD1 LEU A 14 4.175 5.099 1.289 1.00 0.00 C ATOM 158 CD2 LEU A 14 5.243 4.212 -0.786 1.00 0.00 C ATOM 0 H LEU A 14 1.361 3.359 1.694 1.00 0.00 H new ATOM 0 HA LEU A 14 1.604 5.762 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.898 3.031 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.703 3.717 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 14 3.826 5.829 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.039 5.742 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.284 5.576 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.334 4.142 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.105 4.857 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.406 3.252 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.114 4.056 -1.857 1.00 0.00 H new ATOM 170 N THR A 15 0.058 4.981 -1.911 1.00 0.00 N ATOM 171 CA THR A 15 -1.062 4.638 -2.827 1.00 0.00 C ATOM 172 C THR A 15 -0.627 3.515 -3.760 1.00 0.00 C ATOM 173 O THR A 15 0.475 3.014 -3.674 1.00 0.00 O ATOM 174 CB THR A 15 -1.418 5.872 -3.659 1.00 0.00 C ATOM 175 OG1 THR A 15 -0.222 6.541 -4.027 1.00 0.00 O ATOM 176 CG2 THR A 15 -2.285 6.821 -2.841 1.00 0.00 C ATOM 0 H THR A 15 0.586 5.813 -2.172 1.00 0.00 H new ATOM 0 HA THR A 15 -1.927 4.316 -2.247 1.00 0.00 H new ATOM 0 HB THR A 15 -1.966 5.560 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.443 7.399 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.533 7.696 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.202 6.312 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.741 7.135 -1.950 1.00 0.00 H new ATOM 184 N ILE A 16 -1.477 3.126 -4.667 1.00 0.00 N ATOM 185 CA ILE A 16 -1.096 2.058 -5.607 1.00 0.00 C ATOM 186 C ILE A 16 0.013 2.602 -6.511 1.00 0.00 C ATOM 187 O ILE A 16 0.952 1.910 -6.848 1.00 0.00 O ATOM 188 CB ILE A 16 -2.312 1.671 -6.461 1.00 0.00 C ATOM 189 CG1 ILE A 16 -3.326 0.859 -5.619 1.00 0.00 C ATOM 190 CG2 ILE A 16 -1.848 0.863 -7.679 1.00 0.00 C ATOM 191 CD1 ILE A 16 -2.945 -0.629 -5.571 1.00 0.00 C ATOM 0 H ILE A 16 -2.416 3.505 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.749 1.177 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.810 2.577 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.365 1.260 -4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.324 0.968 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.712 0.589 -8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.163 1.465 -8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.339 -0.040 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.676 -1.173 -4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.931 -1.034 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.957 -0.737 -5.124 1.00 0.00 H new ATOM 203 N GLU A 17 -0.097 3.844 -6.904 1.00 0.00 N ATOM 204 CA GLU A 17 0.946 4.434 -7.786 1.00 0.00 C ATOM 205 C GLU A 17 2.237 4.588 -6.982 1.00 0.00 C ATOM 206 O GLU A 17 3.304 4.219 -7.433 1.00 0.00 O ATOM 207 CB GLU A 17 0.478 5.797 -8.324 1.00 0.00 C ATOM 208 CG GLU A 17 -0.364 6.509 -7.266 1.00 0.00 C ATOM 209 CD GLU A 17 -0.508 7.987 -7.635 1.00 0.00 C ATOM 210 OE1 GLU A 17 0.502 8.606 -7.928 1.00 0.00 O ATOM 211 OE2 GLU A 17 -1.626 8.475 -7.619 1.00 0.00 O ATOM 0 H GLU A 17 -0.861 4.471 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 17 1.124 3.779 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.340 6.409 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.106 5.658 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.347 6.044 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.106 6.412 -6.287 1.00 0.00 H new ATOM 218 N GLU A 18 2.155 5.106 -5.784 1.00 0.00 N ATOM 219 CA GLU A 18 3.377 5.245 -4.966 1.00 0.00 C ATOM 220 C GLU A 18 3.883 3.840 -4.635 1.00 0.00 C ATOM 221 O GLU A 18 5.066 3.602 -4.520 1.00 0.00 O ATOM 222 CB GLU A 18 3.037 5.997 -3.676 1.00 0.00 C ATOM 223 CG GLU A 18 2.897 7.506 -3.947 1.00 0.00 C ATOM 224 CD GLU A 18 2.079 7.751 -5.220 1.00 0.00 C ATOM 225 OE1 GLU A 18 2.571 7.428 -6.288 1.00 0.00 O ATOM 226 OE2 GLU A 18 0.977 8.262 -5.103 1.00 0.00 O ATOM 0 H GLU A 18 1.295 5.435 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 18 4.144 5.802 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.108 5.610 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.817 5.827 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.413 7.990 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.884 7.956 -4.050 1.00 0.00 H new ATOM 233 N ALA A 19 2.982 2.904 -4.489 1.00 0.00 N ATOM 234 CA ALA A 19 3.391 1.506 -4.172 1.00 0.00 C ATOM 235 C ALA A 19 4.114 0.887 -5.372 1.00 0.00 C ATOM 236 O ALA A 19 5.213 0.401 -5.259 1.00 0.00 O ATOM 237 CB ALA A 19 2.155 0.671 -3.844 1.00 0.00 C ATOM 0 H ALA A 19 1.976 3.050 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 19 4.063 1.520 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.457 -0.350 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.643 1.102 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.482 0.665 -4.701 1.00 0.00 H new ATOM 243 N SER A 20 3.511 0.878 -6.525 1.00 0.00 N ATOM 244 CA SER A 20 4.202 0.263 -7.695 1.00 0.00 C ATOM 245 C SER A 20 5.609 0.860 -7.840 1.00 0.00 C ATOM 246 O SER A 20 6.548 0.178 -8.173 1.00 0.00 O ATOM 247 CB SER A 20 3.393 0.527 -8.955 1.00 0.00 C ATOM 248 OG SER A 20 3.954 -0.207 -10.036 1.00 0.00 O ATOM 0 H SER A 20 2.584 1.262 -6.710 1.00 0.00 H new ATOM 0 HA SER A 20 4.289 -0.813 -7.542 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.354 0.234 -8.802 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.394 1.593 -9.185 1.00 0.00 H new ATOM 0 HG SER A 20 3.361 -0.147 -10.814 1.00 0.00 H new ATOM 254 N LYS A 21 5.775 2.123 -7.587 1.00 0.00 N ATOM 255 CA LYS A 21 7.140 2.719 -7.699 1.00 0.00 C ATOM 256 C LYS A 21 7.951 2.341 -6.455 1.00 0.00 C ATOM 257 O LYS A 21 9.018 1.769 -6.529 1.00 0.00 O ATOM 258 CB LYS A 21 7.021 4.236 -7.777 1.00 0.00 C ATOM 259 CG LYS A 21 6.329 4.627 -9.083 1.00 0.00 C ATOM 260 CD LYS A 21 6.300 6.153 -9.210 1.00 0.00 C ATOM 261 CE LYS A 21 5.551 6.764 -8.019 1.00 0.00 C ATOM 262 NZ LYS A 21 5.019 8.101 -8.403 1.00 0.00 N ATOM 0 H LYS A 21 5.035 2.768 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 21 7.636 2.344 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.453 4.611 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.010 4.692 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.857 4.191 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.314 4.231 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.317 6.542 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.813 6.439 -10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.735 6.109 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.220 6.858 -7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.511 8.517 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.807 8.723 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.367 7.998 -9.207 1.00 0.00 H new ATOM 276 N TYR A 22 7.436 2.688 -5.315 1.00 0.00 N ATOM 277 CA TYR A 22 8.126 2.391 -4.018 1.00 0.00 C ATOM 278 C TYR A 22 8.091 0.876 -3.728 1.00 0.00 C ATOM 279 O TYR A 22 9.113 0.230 -3.605 1.00 0.00 O ATOM 280 CB TYR A 22 7.370 3.152 -2.922 1.00 0.00 C ATOM 281 CG TYR A 22 8.255 3.457 -1.737 1.00 0.00 C ATOM 282 CD1 TYR A 22 9.098 4.575 -1.759 1.00 0.00 C ATOM 283 CD2 TYR A 22 8.200 2.645 -0.600 1.00 0.00 C ATOM 284 CE1 TYR A 22 9.886 4.878 -0.644 1.00 0.00 C ATOM 285 CE2 TYR A 22 8.990 2.942 0.514 1.00 0.00 C ATOM 286 CZ TYR A 22 9.833 4.061 0.495 1.00 0.00 C ATOM 287 OH TYR A 22 10.610 4.359 1.596 1.00 0.00 O ATOM 0 H TYR A 22 6.546 3.176 -5.217 1.00 0.00 H new ATOM 0 HA TYR A 22 9.171 2.699 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.977 4.083 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.514 2.562 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.140 5.203 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.545 1.786 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.535 5.741 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.951 2.310 1.389 1.00 0.00 H new ATOM 0 HH TYR A 22 10.452 3.693 2.298 1.00 0.00 H new ATOM 297 N PHE A 23 6.912 0.313 -3.638 1.00 0.00 N ATOM 298 CA PHE A 23 6.762 -1.154 -3.381 1.00 0.00 C ATOM 299 C PHE A 23 6.595 -1.860 -4.724 1.00 0.00 C ATOM 300 O PHE A 23 5.545 -2.387 -5.027 1.00 0.00 O ATOM 301 CB PHE A 23 5.510 -1.404 -2.524 1.00 0.00 C ATOM 302 CG PHE A 23 5.817 -1.114 -1.076 1.00 0.00 C ATOM 303 CD1 PHE A 23 6.372 -2.112 -0.271 1.00 0.00 C ATOM 304 CD2 PHE A 23 5.552 0.150 -0.542 1.00 0.00 C ATOM 305 CE1 PHE A 23 6.666 -1.849 1.070 1.00 0.00 C ATOM 306 CE2 PHE A 23 5.846 0.419 0.800 1.00 0.00 C ATOM 307 CZ PHE A 23 6.404 -0.581 1.608 1.00 0.00 C ATOM 0 H PHE A 23 6.030 0.817 -3.734 1.00 0.00 H new ATOM 0 HA PHE A 23 7.639 -1.532 -2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.691 -0.771 -2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.182 -2.437 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.574 -3.089 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.120 0.919 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.095 -2.622 1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.643 1.396 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.632 -0.375 2.643 1.00 0.00 H new ATOM 317 N ARG A 24 7.608 -1.844 -5.537 1.00 0.00 N ATOM 318 CA ARG A 24 7.504 -2.484 -6.881 1.00 0.00 C ATOM 319 C ARG A 24 6.930 -3.885 -6.781 1.00 0.00 C ATOM 320 O ARG A 24 7.638 -4.869 -6.705 1.00 0.00 O ATOM 321 CB ARG A 24 8.881 -2.514 -7.539 1.00 0.00 C ATOM 322 CG ARG A 24 9.235 -1.094 -8.033 1.00 0.00 C ATOM 323 CD ARG A 24 8.669 -0.852 -9.444 1.00 0.00 C ATOM 324 NE ARG A 24 9.643 -1.336 -10.481 1.00 0.00 N ATOM 325 CZ ARG A 24 10.851 -0.845 -10.575 1.00 0.00 C ATOM 326 NH1 ARG A 24 11.204 0.184 -9.853 1.00 0.00 N ATOM 327 NH2 ARG A 24 11.696 -1.363 -11.424 1.00 0.00 N ATOM 0 H ARG A 24 8.510 -1.414 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 24 6.823 -1.894 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.630 -2.863 -6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.884 -3.214 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.833 -0.353 -7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.317 -0.966 -8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.718 -1.372 -9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.471 0.210 -9.588 1.00 0.00 H new ATOM 0 HE ARG A 24 9.354 -2.068 -11.130 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.536 0.610 -9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.148 0.562 -9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.413 -2.148 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.639 -0.983 -11.501 1.00 0.00 H new ATOM 341 N ILE A 25 5.630 -3.962 -6.812 1.00 0.00 N ATOM 342 CA ILE A 25 4.924 -5.270 -6.748 1.00 0.00 C ATOM 343 C ILE A 25 3.850 -5.259 -7.852 1.00 0.00 C ATOM 344 O ILE A 25 3.577 -4.235 -8.446 1.00 0.00 O ATOM 345 CB ILE A 25 4.311 -5.423 -5.320 1.00 0.00 C ATOM 346 CG1 ILE A 25 4.765 -6.749 -4.678 1.00 0.00 C ATOM 347 CG2 ILE A 25 2.777 -5.370 -5.349 1.00 0.00 C ATOM 348 CD1 ILE A 25 6.210 -6.612 -4.181 1.00 0.00 C ATOM 0 H ILE A 25 5.013 -3.153 -6.881 1.00 0.00 H new ATOM 0 HA ILE A 25 5.587 -6.119 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 25 4.671 -4.584 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.107 -7.007 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.695 -7.559 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.390 -5.480 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.454 -4.413 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.397 -6.179 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.529 -7.550 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.863 -6.374 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.266 -5.814 -3.441 1.00 0.00 H new ATOM 360 N GLY A 26 3.245 -6.377 -8.135 1.00 0.00 N ATOM 361 CA GLY A 26 2.203 -6.402 -9.202 1.00 0.00 C ATOM 362 C GLY A 26 1.146 -5.324 -8.930 1.00 0.00 C ATOM 363 O GLY A 26 0.439 -5.366 -7.946 1.00 0.00 O ATOM 0 H GLY A 26 3.424 -7.271 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.664 -6.234 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.732 -7.384 -9.238 1.00 0.00 H new ATOM 367 N GLU A 27 1.022 -4.362 -9.804 1.00 0.00 N ATOM 368 CA GLU A 27 -0.003 -3.295 -9.599 1.00 0.00 C ATOM 369 C GLU A 27 -1.356 -3.958 -9.295 1.00 0.00 C ATOM 370 O GLU A 27 -2.013 -3.661 -8.313 1.00 0.00 O ATOM 371 CB GLU A 27 -0.128 -2.468 -10.885 1.00 0.00 C ATOM 372 CG GLU A 27 1.035 -1.476 -10.982 1.00 0.00 C ATOM 373 CD GLU A 27 1.165 -0.974 -12.423 1.00 0.00 C ATOM 374 OE1 GLU A 27 0.223 -1.149 -13.178 1.00 0.00 O ATOM 375 OE2 GLU A 27 2.205 -0.423 -12.746 1.00 0.00 O ATOM 0 H GLU A 27 1.584 -4.268 -10.650 1.00 0.00 H new ATOM 0 HA GLU A 27 0.290 -2.649 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.128 -3.127 -11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.077 -1.931 -10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.867 -0.636 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.962 -1.956 -10.669 1.00 0.00 H new ATOM 382 N ASN A 28 -1.769 -4.849 -10.154 1.00 0.00 N ATOM 383 CA ASN A 28 -3.074 -5.554 -9.977 1.00 0.00 C ATOM 384 C ASN A 28 -3.052 -6.417 -8.713 1.00 0.00 C ATOM 385 O ASN A 28 -4.083 -6.725 -8.148 1.00 0.00 O ATOM 386 CB ASN A 28 -3.319 -6.450 -11.194 1.00 0.00 C ATOM 387 CG ASN A 28 -4.793 -6.857 -11.252 1.00 0.00 C ATOM 388 OD1 ASN A 28 -5.563 -6.525 -10.372 1.00 0.00 O ATOM 389 ND2 ASN A 28 -5.221 -7.568 -12.259 1.00 0.00 N ATOM 0 H ASN A 28 -1.249 -5.124 -10.987 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.869 -4.815 -9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.042 -5.922 -12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.689 -7.338 -11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.201 -7.845 -12.308 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.575 -7.847 -12.998 1.00 0.00 H new ATOM 396 N LYS A 29 -1.894 -6.810 -8.257 1.00 0.00 N ATOM 397 CA LYS A 29 -1.836 -7.647 -7.028 1.00 0.00 C ATOM 398 C LYS A 29 -2.332 -6.799 -5.865 1.00 0.00 C ATOM 399 O LYS A 29 -3.244 -7.164 -5.152 1.00 0.00 O ATOM 400 CB LYS A 29 -0.386 -8.072 -6.774 1.00 0.00 C ATOM 401 CG LYS A 29 -0.306 -9.060 -5.595 1.00 0.00 C ATOM 402 CD LYS A 29 1.060 -8.923 -4.905 1.00 0.00 C ATOM 403 CE LYS A 29 1.365 -10.185 -4.101 1.00 0.00 C ATOM 404 NZ LYS A 29 2.698 -10.048 -3.446 1.00 0.00 N ATOM 0 H LYS A 29 -0.992 -6.589 -8.680 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.452 -8.539 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.025 -8.535 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.223 -7.194 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.107 -8.859 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.445 -10.081 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.839 -8.759 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.060 -8.054 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.593 -10.345 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.357 -11.057 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.906 -10.907 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.430 -9.915 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.689 -9.226 -2.809 1.00 0.00 H new ATOM 418 N LEU A 30 -1.743 -5.654 -5.689 1.00 0.00 N ATOM 419 CA LEU A 30 -2.172 -4.740 -4.593 1.00 0.00 C ATOM 420 C LEU A 30 -3.697 -4.644 -4.577 1.00 0.00 C ATOM 421 O LEU A 30 -4.330 -4.833 -3.557 1.00 0.00 O ATOM 422 CB LEU A 30 -1.585 -3.355 -4.850 1.00 0.00 C ATOM 423 CG LEU A 30 -0.054 -3.437 -4.909 1.00 0.00 C ATOM 424 CD1 LEU A 30 0.508 -2.176 -5.575 1.00 0.00 C ATOM 425 CD2 LEU A 30 0.530 -3.563 -3.493 1.00 0.00 C ATOM 0 H LEU A 30 -0.974 -5.306 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.823 -5.123 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.972 -2.955 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.891 -2.669 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 30 0.224 -4.316 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.595 -2.239 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.112 -2.092 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.216 -1.299 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.617 -3.620 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.244 -2.693 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.144 -4.466 -3.019 1.00 0.00 H new ATOM 437 N ARG A 31 -4.295 -4.356 -5.700 1.00 0.00 N ATOM 438 CA ARG A 31 -5.780 -4.257 -5.735 1.00 0.00 C ATOM 439 C ARG A 31 -6.377 -5.596 -5.293 1.00 0.00 C ATOM 440 O ARG A 31 -7.181 -5.661 -4.385 1.00 0.00 O ATOM 441 CB ARG A 31 -6.241 -3.928 -7.163 1.00 0.00 C ATOM 442 CG ARG A 31 -6.118 -2.423 -7.415 1.00 0.00 C ATOM 443 CD ARG A 31 -6.259 -2.143 -8.912 1.00 0.00 C ATOM 444 NE ARG A 31 -6.353 -0.673 -9.138 1.00 0.00 N ATOM 445 CZ ARG A 31 -6.182 -0.186 -10.337 1.00 0.00 C ATOM 446 NH1 ARG A 31 -5.926 -0.988 -11.335 1.00 0.00 N ATOM 447 NH2 ARG A 31 -6.267 1.101 -10.537 1.00 0.00 N ATOM 0 H ARG A 31 -3.823 -4.186 -6.588 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.115 -3.466 -5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.637 -4.477 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.274 -4.246 -7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.887 -1.887 -6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.155 -2.061 -7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.403 -2.550 -9.451 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.147 -2.639 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.551 -0.048 -8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.860 -1.994 -11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.792 -0.609 -12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.467 1.726 -9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.133 1.481 -11.474 1.00 0.00 H new ATOM 461 N ARG A 32 -5.986 -6.667 -5.925 1.00 0.00 N ATOM 462 CA ARG A 32 -6.530 -7.997 -5.538 1.00 0.00 C ATOM 463 C ARG A 32 -6.373 -8.196 -4.029 1.00 0.00 C ATOM 464 O ARG A 32 -7.229 -8.750 -3.373 1.00 0.00 O ATOM 465 CB ARG A 32 -5.767 -9.097 -6.281 1.00 0.00 C ATOM 466 CG ARG A 32 -6.381 -10.482 -5.952 1.00 0.00 C ATOM 467 CD ARG A 32 -6.371 -11.369 -7.200 1.00 0.00 C ATOM 468 NE ARG A 32 -7.033 -12.668 -6.891 1.00 0.00 N ATOM 469 CZ ARG A 32 -7.394 -13.464 -7.860 1.00 0.00 C ATOM 470 NH1 ARG A 32 -7.161 -13.128 -9.099 1.00 0.00 N ATOM 471 NH2 ARG A 32 -7.983 -14.596 -7.591 1.00 0.00 N ATOM 0 H ARG A 32 -5.314 -6.678 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.587 -8.046 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.808 -8.918 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.715 -9.079 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.815 -10.959 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.402 -10.360 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.890 -10.870 -8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.346 -11.540 -7.530 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.204 -12.935 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.697 -12.244 -9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.443 -13.749 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.162 -14.860 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.265 -15.217 -8.349 1.00 0.00 H new ATOM 485 N LEU A 33 -5.285 -7.748 -3.473 1.00 0.00 N ATOM 486 CA LEU A 33 -5.077 -7.914 -2.008 1.00 0.00 C ATOM 487 C LEU A 33 -6.117 -7.085 -1.244 1.00 0.00 C ATOM 488 O LEU A 33 -6.664 -7.519 -0.250 1.00 0.00 O ATOM 489 CB LEU A 33 -3.663 -7.442 -1.645 1.00 0.00 C ATOM 490 CG LEU A 33 -2.631 -8.508 -2.043 1.00 0.00 C ATOM 491 CD1 LEU A 33 -1.236 -7.876 -2.056 1.00 0.00 C ATOM 492 CD2 LEU A 33 -2.650 -9.685 -1.046 1.00 0.00 C ATOM 0 H LEU A 33 -4.530 -7.274 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.191 -8.963 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.443 -6.504 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.600 -7.246 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.881 -8.888 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.499 -8.628 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.214 -7.058 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.001 -7.492 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.912 -10.428 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.411 -9.320 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.641 -10.140 -1.039 1.00 0.00 H new ATOM 504 N ALA A 34 -6.387 -5.893 -1.699 1.00 0.00 N ATOM 505 CA ALA A 34 -7.384 -5.024 -1.002 1.00 0.00 C ATOM 506 C ALA A 34 -8.806 -5.375 -1.455 1.00 0.00 C ATOM 507 O ALA A 34 -9.633 -5.794 -0.670 1.00 0.00 O ATOM 508 CB ALA A 34 -7.101 -3.565 -1.351 1.00 0.00 C ATOM 0 H ALA A 34 -5.959 -5.479 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.302 -5.182 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.824 -2.923 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.094 -3.302 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.183 -3.426 -2.429 1.00 0.00 H new ATOM 514 N GLU A 35 -9.095 -5.187 -2.716 1.00 0.00 N ATOM 515 CA GLU A 35 -10.462 -5.483 -3.242 1.00 0.00 C ATOM 516 C GLU A 35 -10.991 -6.802 -2.654 1.00 0.00 C ATOM 517 O GLU A 35 -12.183 -7.009 -2.560 1.00 0.00 O ATOM 518 CB GLU A 35 -10.394 -5.582 -4.779 1.00 0.00 C ATOM 519 CG GLU A 35 -10.588 -4.196 -5.407 1.00 0.00 C ATOM 520 CD GLU A 35 -9.534 -3.231 -4.862 1.00 0.00 C ATOM 521 OE1 GLU A 35 -8.460 -3.691 -4.515 1.00 0.00 O ATOM 522 OE2 GLU A 35 -9.819 -2.046 -4.802 1.00 0.00 O ATOM 0 H GLU A 35 -8.436 -4.837 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.142 -4.682 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.432 -5.995 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.163 -6.265 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.507 -4.263 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.587 -3.822 -5.184 1.00 0.00 H new ATOM 529 N GLU A 36 -10.125 -7.694 -2.262 1.00 0.00 N ATOM 530 CA GLU A 36 -10.603 -8.990 -1.688 1.00 0.00 C ATOM 531 C GLU A 36 -10.868 -8.827 -0.198 1.00 0.00 C ATOM 532 O GLU A 36 -11.970 -9.014 0.279 1.00 0.00 O ATOM 533 CB GLU A 36 -9.528 -10.058 -1.881 1.00 0.00 C ATOM 534 CG GLU A 36 -9.342 -10.333 -3.373 1.00 0.00 C ATOM 535 CD GLU A 36 -10.446 -11.268 -3.871 1.00 0.00 C ATOM 536 OE1 GLU A 36 -10.345 -12.458 -3.623 1.00 0.00 O ATOM 537 OE2 GLU A 36 -11.375 -10.777 -4.492 1.00 0.00 O ATOM 0 H GLU A 36 -9.112 -7.586 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.521 -9.287 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.587 -9.725 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.814 -10.974 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.367 -9.397 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.365 -10.783 -3.550 1.00 0.00 H new ATOM 544 N ASN A 37 -9.852 -8.495 0.542 1.00 0.00 N ATOM 545 CA ASN A 37 -10.010 -8.331 2.021 1.00 0.00 C ATOM 546 C ASN A 37 -10.181 -6.850 2.367 1.00 0.00 C ATOM 547 O ASN A 37 -9.344 -6.254 3.017 1.00 0.00 O ATOM 548 CB ASN A 37 -8.761 -8.870 2.721 1.00 0.00 C ATOM 549 CG ASN A 37 -8.399 -10.235 2.135 1.00 0.00 C ATOM 550 OD1 ASN A 37 -9.234 -11.114 2.050 1.00 0.00 O ATOM 551 ND2 ASN A 37 -7.179 -10.453 1.725 1.00 0.00 N ATOM 0 H ASN A 37 -8.910 -8.328 0.189 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.891 -8.881 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.931 -8.175 2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.941 -8.958 3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.927 -11.361 1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.478 -9.716 1.796 1.00 0.00 H new ATOM 558 N LYS A 38 -11.267 -6.253 1.948 1.00 0.00 N ATOM 559 CA LYS A 38 -11.502 -4.811 2.264 1.00 0.00 C ATOM 560 C LYS A 38 -11.203 -4.560 3.744 1.00 0.00 C ATOM 561 O LYS A 38 -10.982 -3.441 4.165 1.00 0.00 O ATOM 562 CB LYS A 38 -12.967 -4.447 1.992 1.00 0.00 C ATOM 563 CG LYS A 38 -13.253 -4.447 0.480 1.00 0.00 C ATOM 564 CD LYS A 38 -13.391 -5.889 -0.051 1.00 0.00 C ATOM 565 CE LYS A 38 -14.249 -5.897 -1.322 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.447 -7.302 -1.776 1.00 0.00 N ATOM 0 H LYS A 38 -12.002 -6.701 1.401 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.850 -4.201 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.623 -5.160 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.187 -3.464 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.169 -3.891 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.447 -3.936 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.406 -6.303 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.846 -6.524 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.213 -5.427 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.764 -5.315 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.264 -7.347 -2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.595 -7.629 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.621 -7.912 -0.952 1.00 0.00 H new ATOM 580 N ASN A 39 -11.210 -5.597 4.540 1.00 0.00 N ATOM 581 CA ASN A 39 -10.945 -5.440 6.000 1.00 0.00 C ATOM 582 C ASN A 39 -9.486 -5.783 6.299 1.00 0.00 C ATOM 583 O ASN A 39 -9.128 -6.088 7.419 1.00 0.00 O ATOM 584 CB ASN A 39 -11.860 -6.392 6.772 1.00 0.00 C ATOM 585 CG ASN A 39 -13.284 -5.831 6.793 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.597 -4.910 6.065 1.00 0.00 O ATOM 587 ND2 ASN A 39 -14.166 -6.350 7.603 1.00 0.00 N ATOM 0 H ASN A 39 -11.390 -6.554 4.238 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.138 -4.410 6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.853 -7.377 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.493 -6.519 7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.117 -5.982 7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.904 -7.123 8.214 1.00 0.00 H new ATOM 594 N ALA A 40 -8.639 -5.729 5.312 1.00 0.00 N ATOM 595 CA ALA A 40 -7.205 -6.044 5.548 1.00 0.00 C ATOM 596 C ALA A 40 -6.679 -5.154 6.682 1.00 0.00 C ATOM 597 O ALA A 40 -7.165 -4.066 6.907 1.00 0.00 O ATOM 598 CB ALA A 40 -6.416 -5.779 4.258 1.00 0.00 C ATOM 0 H ALA A 40 -8.878 -5.480 4.352 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.088 -7.090 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.363 -6.007 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.804 -6.410 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.520 -4.731 3.976 1.00 0.00 H new ATOM 604 N ASN A 41 -5.698 -5.611 7.404 1.00 0.00 N ATOM 605 CA ASN A 41 -5.145 -4.787 8.518 1.00 0.00 C ATOM 606 C ASN A 41 -4.171 -3.736 7.966 1.00 0.00 C ATOM 607 O ASN A 41 -3.846 -2.772 8.631 1.00 0.00 O ATOM 608 CB ASN A 41 -4.401 -5.696 9.500 1.00 0.00 C ATOM 609 CG ASN A 41 -5.410 -6.537 10.283 1.00 0.00 C ATOM 610 OD1 ASN A 41 -6.351 -6.011 10.843 1.00 0.00 O ATOM 611 ND2 ASN A 41 -5.254 -7.831 10.347 1.00 0.00 N ATOM 0 H ASN A 41 -5.253 -6.519 7.273 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.966 -4.282 9.027 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.712 -6.345 8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.803 -5.096 10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.922 -8.400 10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.464 -8.273 9.877 1.00 0.00 H new ATOM 618 N TRP A 42 -3.666 -3.938 6.772 1.00 0.00 N ATOM 619 CA TRP A 42 -2.668 -2.979 6.189 1.00 0.00 C ATOM 620 C TRP A 42 -3.308 -2.030 5.162 1.00 0.00 C ATOM 621 O TRP A 42 -2.700 -1.057 4.764 1.00 0.00 O ATOM 622 CB TRP A 42 -1.572 -3.792 5.495 1.00 0.00 C ATOM 623 CG TRP A 42 -2.222 -4.860 4.684 1.00 0.00 C ATOM 624 CD1 TRP A 42 -2.361 -6.150 5.063 1.00 0.00 C ATOM 625 CD2 TRP A 42 -2.842 -4.747 3.372 1.00 0.00 C ATOM 626 NE1 TRP A 42 -3.032 -6.837 4.068 1.00 0.00 N ATOM 627 CE2 TRP A 42 -3.350 -6.015 3.006 1.00 0.00 C ATOM 628 CE3 TRP A 42 -3.012 -3.677 2.475 1.00 0.00 C ATOM 629 CZ2 TRP A 42 -4.007 -6.215 1.794 1.00 0.00 C ATOM 630 CZ3 TRP A 42 -3.670 -3.874 1.251 1.00 0.00 C ATOM 631 CH2 TRP A 42 -4.169 -5.139 0.911 1.00 0.00 C ATOM 0 H TRP A 42 -3.902 -4.729 6.172 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.265 -2.369 6.998 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.967 -3.147 4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.901 -4.231 6.233 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.006 -6.574 5.991 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.263 -7.829 4.113 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.634 -2.698 2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.389 -7.192 1.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.792 -3.047 0.568 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.678 -5.284 -0.031 1.00 0.00 H new ATOM 642 N LEU A 43 -4.507 -2.291 4.706 1.00 0.00 N ATOM 643 CA LEU A 43 -5.123 -1.383 3.690 1.00 0.00 C ATOM 644 C LEU A 43 -5.904 -0.269 4.396 1.00 0.00 C ATOM 645 O LEU A 43 -6.331 -0.407 5.524 1.00 0.00 O ATOM 646 CB LEU A 43 -6.023 -2.235 2.760 1.00 0.00 C ATOM 647 CG LEU A 43 -7.522 -2.226 3.169 1.00 0.00 C ATOM 648 CD1 LEU A 43 -7.716 -2.514 4.680 1.00 0.00 C ATOM 649 CD2 LEU A 43 -8.198 -0.882 2.772 1.00 0.00 C ATOM 0 H LEU A 43 -5.081 -3.085 4.989 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.359 -0.898 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.931 -1.864 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.661 -3.263 2.759 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.008 -3.033 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.779 -2.498 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.305 -3.495 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.200 -1.752 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.247 -0.901 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.693 -0.058 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.129 -0.745 1.693 1.00 0.00 H new ATOM 661 N ILE A 44 -6.058 0.854 3.745 1.00 0.00 N ATOM 662 CA ILE A 44 -6.776 2.002 4.363 1.00 0.00 C ATOM 663 C ILE A 44 -7.607 2.693 3.275 1.00 0.00 C ATOM 664 O ILE A 44 -7.087 3.152 2.277 1.00 0.00 O ATOM 665 CB ILE A 44 -5.711 2.960 4.956 1.00 0.00 C ATOM 666 CG1 ILE A 44 -5.513 2.661 6.456 1.00 0.00 C ATOM 667 CG2 ILE A 44 -6.119 4.430 4.779 1.00 0.00 C ATOM 668 CD1 ILE A 44 -4.134 3.147 6.899 1.00 0.00 C ATOM 0 H ILE A 44 -5.712 1.024 2.801 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.449 1.683 5.159 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.777 2.795 4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.289 3.155 7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.609 1.591 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.351 5.075 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.230 4.651 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.066 4.609 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.997 2.935 7.959 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.365 2.633 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.056 4.221 6.731 1.00 0.00 H new ATOM 680 N MET A 45 -8.897 2.769 3.465 1.00 0.00 N ATOM 681 CA MET A 45 -9.770 3.426 2.451 1.00 0.00 C ATOM 682 C MET A 45 -9.984 4.891 2.833 1.00 0.00 C ATOM 683 O MET A 45 -10.330 5.207 3.953 1.00 0.00 O ATOM 684 CB MET A 45 -11.124 2.710 2.403 1.00 0.00 C ATOM 685 CG MET A 45 -10.921 1.214 2.111 1.00 0.00 C ATOM 686 SD MET A 45 -12.363 0.572 1.226 1.00 0.00 S ATOM 687 CE MET A 45 -11.818 1.022 -0.441 1.00 0.00 C ATOM 0 H MET A 45 -9.385 2.403 4.282 1.00 0.00 H new ATOM 0 HA MET A 45 -9.293 3.371 1.472 1.00 0.00 H new ATOM 0 HB2 MET A 45 -11.644 2.836 3.352 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.753 3.157 1.633 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.020 1.068 1.515 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.779 0.666 3.043 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.683 1.292 -1.046 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.136 1.870 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.306 0.175 -0.897 1.00 0.00 H new ATOM 697 N ASN A 46 -9.785 5.785 1.899 1.00 0.00 N ATOM 698 CA ASN A 46 -9.978 7.242 2.175 1.00 0.00 C ATOM 699 C ASN A 46 -10.816 7.839 1.046 1.00 0.00 C ATOM 700 O ASN A 46 -10.295 8.363 0.081 1.00 0.00 O ATOM 701 CB ASN A 46 -8.615 7.938 2.228 1.00 0.00 C ATOM 702 CG ASN A 46 -7.937 7.633 3.567 1.00 0.00 C ATOM 703 OD1 ASN A 46 -8.577 7.637 4.600 1.00 0.00 O ATOM 704 ND2 ASN A 46 -6.660 7.366 3.592 1.00 0.00 N ATOM 0 H ASN A 46 -9.494 5.566 0.946 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.484 7.381 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.988 7.596 1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.739 9.014 2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.199 7.161 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.123 7.363 2.725 1.00 0.00 H new ATOM 711 N GLY A 47 -12.114 7.744 1.150 1.00 0.00 N ATOM 712 CA GLY A 47 -12.990 8.283 0.074 1.00 0.00 C ATOM 713 C GLY A 47 -13.100 7.242 -1.029 1.00 0.00 C ATOM 714 O GLY A 47 -14.073 6.522 -1.127 1.00 0.00 O ATOM 0 H GLY A 47 -12.605 7.316 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.977 8.518 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.576 9.211 -0.321 1.00 0.00 H new ATOM 718 N ASN A 48 -12.106 7.161 -1.865 1.00 0.00 N ATOM 719 CA ASN A 48 -12.141 6.172 -2.973 1.00 0.00 C ATOM 720 C ASN A 48 -10.714 5.750 -3.334 1.00 0.00 C ATOM 721 O ASN A 48 -10.489 5.093 -4.331 1.00 0.00 O ATOM 722 CB ASN A 48 -12.809 6.825 -4.177 1.00 0.00 C ATOM 723 CG ASN A 48 -12.987 5.794 -5.292 1.00 0.00 C ATOM 724 OD1 ASN A 48 -13.240 4.552 -4.981 1.00 0.00 O flip ATOM 725 ND2 ASN A 48 -12.893 6.120 -6.458 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.267 7.740 -1.828 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.700 5.287 -2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.777 7.234 -3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.203 7.658 -4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.695 7.090 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.012 5.423 -7.193 1.00 0.00 H new ATOM 732 N ARG A 49 -9.747 6.133 -2.534 1.00 0.00 N ATOM 733 CA ARG A 49 -8.322 5.772 -2.826 1.00 0.00 C ATOM 734 C ARG A 49 -7.821 4.742 -1.806 1.00 0.00 C ATOM 735 O ARG A 49 -7.712 5.022 -0.629 1.00 0.00 O ATOM 736 CB ARG A 49 -7.449 7.033 -2.734 1.00 0.00 C ATOM 737 CG ARG A 49 -8.163 8.217 -3.392 1.00 0.00 C ATOM 738 CD ARG A 49 -8.442 7.903 -4.863 1.00 0.00 C ATOM 739 NE ARG A 49 -8.751 9.169 -5.586 1.00 0.00 N ATOM 740 CZ ARG A 49 -8.739 9.197 -6.890 1.00 0.00 C ATOM 741 NH1 ARG A 49 -8.457 8.114 -7.561 1.00 0.00 N ATOM 742 NH2 ARG A 49 -9.009 10.306 -7.522 1.00 0.00 N ATOM 0 H ARG A 49 -9.884 6.683 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.261 5.347 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.236 7.262 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.491 6.858 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.098 8.424 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.548 9.114 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.577 7.415 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.279 7.209 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.972 10.015 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.246 7.248 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.447 8.134 -8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.230 11.152 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.999 10.327 -8.542 1.00 0.00 H new ATOM 756 N ILE A 50 -7.494 3.560 -2.254 1.00 0.00 N ATOM 757 CA ILE A 50 -6.976 2.520 -1.317 1.00 0.00 C ATOM 758 C ILE A 50 -5.482 2.775 -1.101 1.00 0.00 C ATOM 759 O ILE A 50 -4.709 2.749 -2.039 1.00 0.00 O ATOM 760 CB ILE A 50 -7.186 1.130 -1.935 1.00 0.00 C ATOM 761 CG1 ILE A 50 -8.671 0.767 -1.868 1.00 0.00 C ATOM 762 CG2 ILE A 50 -6.372 0.081 -1.167 1.00 0.00 C ATOM 763 CD1 ILE A 50 -8.935 -0.468 -2.729 1.00 0.00 C ATOM 0 H ILE A 50 -7.563 3.269 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.503 2.565 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.854 1.147 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.962 0.572 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.277 1.603 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.529 -0.900 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.313 0.336 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.694 0.061 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.993 -0.726 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.660 -0.257 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.341 -1.303 -2.359 1.00 0.00 H new ATOM 775 N GLN A 51 -5.067 3.034 0.121 1.00 0.00 N ATOM 776 CA GLN A 51 -3.615 3.307 0.386 1.00 0.00 C ATOM 777 C GLN A 51 -2.965 2.096 1.072 1.00 0.00 C ATOM 778 O GLN A 51 -3.593 1.364 1.811 1.00 0.00 O ATOM 779 CB GLN A 51 -3.479 4.578 1.263 1.00 0.00 C ATOM 780 CG GLN A 51 -2.237 5.390 0.840 1.00 0.00 C ATOM 781 CD GLN A 51 -2.182 6.717 1.605 1.00 0.00 C ATOM 782 OE1 GLN A 51 -3.006 6.972 2.461 1.00 0.00 O ATOM 783 NE2 GLN A 51 -1.235 7.581 1.328 1.00 0.00 N ATOM 0 H GLN A 51 -5.670 3.068 0.943 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.099 3.477 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.374 5.193 1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.398 4.297 2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.333 4.813 1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.268 5.582 -0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.543 7.367 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.190 8.467 1.831 1.00 0.00 H new ATOM 792 N ILE A 52 -1.705 1.886 0.798 1.00 0.00 N ATOM 793 CA ILE A 52 -0.961 0.731 1.381 1.00 0.00 C ATOM 794 C ILE A 52 -0.268 1.153 2.675 1.00 0.00 C ATOM 795 O ILE A 52 0.096 2.295 2.844 1.00 0.00 O ATOM 796 CB ILE A 52 0.116 0.302 0.385 1.00 0.00 C ATOM 797 CG1 ILE A 52 -0.514 0.042 -0.994 1.00 0.00 C ATOM 798 CG2 ILE A 52 0.826 -0.952 0.898 1.00 0.00 C ATOM 799 CD1 ILE A 52 -1.624 -1.007 -0.900 1.00 0.00 C ATOM 0 H ILE A 52 -1.149 2.479 0.182 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.658 -0.082 1.587 1.00 0.00 H new ATOM 0 HB ILE A 52 0.850 1.101 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.920 0.971 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.253 -0.296 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.593 -1.254 0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.290 -0.739 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.102 -1.758 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.053 -1.172 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.210 -1.942 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.401 -0.655 -0.222 1.00 0.00 H new ATOM 811 N LYS A 53 -0.052 0.236 3.583 1.00 0.00 N ATOM 812 CA LYS A 53 0.648 0.603 4.848 1.00 0.00 C ATOM 813 C LYS A 53 2.150 0.669 4.562 1.00 0.00 C ATOM 814 O LYS A 53 2.685 -0.133 3.828 1.00 0.00 O ATOM 815 CB LYS A 53 0.349 -0.449 5.943 1.00 0.00 C ATOM 816 CG LYS A 53 0.180 0.242 7.306 1.00 0.00 C ATOM 817 CD LYS A 53 0.234 -0.800 8.429 1.00 0.00 C ATOM 818 CE LYS A 53 -0.362 -0.208 9.709 1.00 0.00 C ATOM 819 NZ LYS A 53 -0.384 -1.249 10.774 1.00 0.00 N ATOM 0 H LYS A 53 -0.328 -0.743 3.504 1.00 0.00 H new ATOM 0 HA LYS A 53 0.298 1.571 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.557 -1.000 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.161 -1.175 5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.966 0.983 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.770 0.775 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.319 -1.693 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.265 -1.107 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.228 0.649 10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.372 0.154 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.789 -0.847 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.964 -2.053 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.586 -1.574 10.962 1.00 0.00 H new ATOM 833 N ARG A 54 2.831 1.631 5.123 1.00 0.00 N ATOM 834 CA ARG A 54 4.299 1.762 4.874 1.00 0.00 C ATOM 835 C ARG A 54 5.073 1.176 6.060 1.00 0.00 C ATOM 836 O ARG A 54 6.263 0.957 5.986 1.00 0.00 O ATOM 837 CB ARG A 54 4.643 3.247 4.728 1.00 0.00 C ATOM 838 CG ARG A 54 6.031 3.401 4.099 1.00 0.00 C ATOM 839 CD ARG A 54 6.411 4.884 4.050 1.00 0.00 C ATOM 840 NE ARG A 54 6.882 5.322 5.394 1.00 0.00 N ATOM 841 CZ ARG A 54 7.538 6.443 5.521 1.00 0.00 C ATOM 842 NH1 ARG A 54 7.778 7.181 4.472 1.00 0.00 N ATOM 843 NH2 ARG A 54 7.953 6.826 6.697 1.00 0.00 N ATOM 0 H ARG A 54 2.434 2.335 5.745 1.00 0.00 H new ATOM 0 HA ARG A 54 4.570 1.225 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.896 3.743 4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.620 3.732 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.768 2.845 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.034 2.981 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.193 5.045 3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.552 5.480 3.742 1.00 0.00 H new ATOM 0 HE ARG A 54 6.692 4.746 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.453 6.882 3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.291 8.057 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.765 6.249 7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.466 7.702 6.796 1.00 0.00 H new ATOM 857 N LYS A 55 4.410 0.930 7.161 1.00 0.00 N ATOM 858 CA LYS A 55 5.117 0.370 8.353 1.00 0.00 C ATOM 859 C LYS A 55 5.051 -1.160 8.333 1.00 0.00 C ATOM 860 O LYS A 55 6.055 -1.831 8.210 1.00 0.00 O ATOM 861 CB LYS A 55 4.444 0.884 9.634 1.00 0.00 C ATOM 862 CG LYS A 55 4.615 2.428 9.763 1.00 0.00 C ATOM 863 CD LYS A 55 3.253 3.139 9.674 1.00 0.00 C ATOM 864 CE LYS A 55 2.501 2.987 11.000 1.00 0.00 C ATOM 865 NZ LYS A 55 3.317 3.564 12.105 1.00 0.00 N ATOM 0 H LYS A 55 3.411 1.092 7.286 1.00 0.00 H new ATOM 0 HA LYS A 55 6.160 0.686 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.384 0.630 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.880 0.391 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.094 2.667 10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.273 2.793 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.398 4.195 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.664 2.716 8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.537 3.493 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.297 1.934 11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.688 3.913 12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.945 2.831 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.889 4.352 11.739 1.00 0.00 H new ATOM 879 N GLN A 56 3.880 -1.718 8.466 1.00 0.00 N ATOM 880 CA GLN A 56 3.759 -3.205 8.469 1.00 0.00 C ATOM 881 C GLN A 56 4.233 -3.774 7.129 1.00 0.00 C ATOM 882 O GLN A 56 4.624 -4.920 7.038 1.00 0.00 O ATOM 883 CB GLN A 56 2.298 -3.601 8.700 1.00 0.00 C ATOM 884 CG GLN A 56 2.196 -5.124 8.813 1.00 0.00 C ATOM 885 CD GLN A 56 0.761 -5.519 9.172 1.00 0.00 C ATOM 886 OE1 GLN A 56 -0.143 -5.575 8.233 1.00 0.00 O flip ATOM 887 NE2 GLN A 56 0.460 -5.779 10.321 1.00 0.00 N flip ATOM 0 H GLN A 56 3.002 -1.210 8.573 1.00 0.00 H new ATOM 0 HA GLN A 56 4.380 -3.609 9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.922 -3.132 9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.678 -3.244 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.487 -5.589 7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.885 -5.489 9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.166 -5.735 11.056 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.499 -6.041 10.550 1.00 0.00 H new ATOM 896 N PHE A 57 4.192 -2.991 6.085 1.00 0.00 N ATOM 897 CA PHE A 57 4.631 -3.500 4.751 1.00 0.00 C ATOM 898 C PHE A 57 6.151 -3.302 4.593 1.00 0.00 C ATOM 899 O PHE A 57 6.867 -4.217 4.254 1.00 0.00 O ATOM 900 CB PHE A 57 3.865 -2.738 3.648 1.00 0.00 C ATOM 901 CG PHE A 57 3.637 -3.623 2.426 1.00 0.00 C ATOM 902 CD1 PHE A 57 4.696 -4.352 1.862 1.00 0.00 C ATOM 903 CD2 PHE A 57 2.360 -3.706 1.852 1.00 0.00 C ATOM 904 CE1 PHE A 57 4.481 -5.153 0.738 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.146 -4.509 0.724 1.00 0.00 C ATOM 906 CZ PHE A 57 3.207 -5.232 0.166 1.00 0.00 C ATOM 0 H PHE A 57 3.874 -2.022 6.097 1.00 0.00 H new ATOM 0 HA PHE A 57 4.414 -4.565 4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.906 -2.396 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.427 -1.850 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.682 -4.293 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.540 -3.150 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.300 -5.712 0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.161 -4.570 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.042 -5.850 -0.705 1.00 0.00 H new ATOM 916 N GLU A 58 6.650 -2.120 4.820 1.00 0.00 N ATOM 917 CA GLU A 58 8.119 -1.894 4.657 1.00 0.00 C ATOM 918 C GLU A 58 8.915 -2.951 5.435 1.00 0.00 C ATOM 919 O GLU A 58 10.031 -3.278 5.082 1.00 0.00 O ATOM 920 CB GLU A 58 8.486 -0.495 5.165 1.00 0.00 C ATOM 921 CG GLU A 58 10.001 -0.265 5.036 1.00 0.00 C ATOM 922 CD GLU A 58 10.732 -0.878 6.235 1.00 0.00 C ATOM 923 OE1 GLU A 58 10.447 -0.470 7.349 1.00 0.00 O ATOM 924 OE2 GLU A 58 11.564 -1.744 6.019 1.00 0.00 O ATOM 0 H GLU A 58 6.112 -1.303 5.110 1.00 0.00 H new ATOM 0 HA GLU A 58 8.370 -1.975 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.946 0.261 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.181 -0.386 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.367 -0.711 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.211 0.803 4.980 1.00 0.00 H new ATOM 931 N LYS A 59 8.361 -3.491 6.487 1.00 0.00 N ATOM 932 CA LYS A 59 9.109 -4.519 7.272 1.00 0.00 C ATOM 933 C LYS A 59 9.157 -5.827 6.479 1.00 0.00 C ATOM 934 O LYS A 59 9.781 -6.783 6.896 1.00 0.00 O ATOM 935 CB LYS A 59 8.393 -4.760 8.622 1.00 0.00 C ATOM 936 CG LYS A 59 9.104 -4.007 9.753 1.00 0.00 C ATOM 937 CD LYS A 59 9.152 -2.502 9.432 1.00 0.00 C ATOM 938 CE LYS A 59 9.203 -1.701 10.733 1.00 0.00 C ATOM 939 NZ LYS A 59 10.416 -2.089 11.506 1.00 0.00 N ATOM 0 H LYS A 59 7.429 -3.268 6.836 1.00 0.00 H new ATOM 0 HA LYS A 59 10.124 -4.168 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.356 -4.430 8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.374 -5.827 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.581 -4.170 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.115 -4.393 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.026 -2.278 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.275 -2.216 8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.223 -0.633 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.306 -1.889 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.603 -1.376 12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.261 -3.014 11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.232 -2.148 10.864 1.00 0.00 H new ATOM 953 N ILE A 60 8.497 -5.883 5.350 1.00 0.00 N ATOM 954 CA ILE A 60 8.498 -7.138 4.537 1.00 0.00 C ATOM 955 C ILE A 60 8.755 -6.829 3.059 1.00 0.00 C ATOM 956 O ILE A 60 8.243 -7.495 2.194 1.00 0.00 O ATOM 957 CB ILE A 60 7.149 -7.848 4.681 1.00 0.00 C ATOM 958 CG1 ILE A 60 6.014 -6.852 4.446 1.00 0.00 C ATOM 959 CG2 ILE A 60 7.028 -8.429 6.091 1.00 0.00 C ATOM 960 CD1 ILE A 60 4.681 -7.602 4.375 1.00 0.00 C ATOM 0 H ILE A 60 7.957 -5.113 4.955 1.00 0.00 H new ATOM 0 HA ILE A 60 9.296 -7.784 4.903 1.00 0.00 H new ATOM 0 HB ILE A 60 7.084 -8.650 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.988 -6.118 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.184 -6.303 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.068 -8.935 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.834 -9.142 6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.095 -7.624 6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.872 -6.891 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.710 -8.319 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.511 -8.131 5.313 1.00 0.00 H new ATOM 972 N ILE A 61 9.542 -5.834 2.744 1.00 0.00 N ATOM 973 CA ILE A 61 9.802 -5.540 1.293 1.00 0.00 C ATOM 974 C ILE A 61 10.965 -6.411 0.788 1.00 0.00 C ATOM 975 O ILE A 61 10.880 -7.028 -0.254 1.00 0.00 O ATOM 976 CB ILE A 61 10.129 -4.048 1.094 1.00 0.00 C ATOM 977 CG1 ILE A 61 10.577 -3.787 -0.357 1.00 0.00 C ATOM 978 CG2 ILE A 61 11.248 -3.623 2.044 1.00 0.00 C ATOM 979 CD1 ILE A 61 9.557 -4.363 -1.346 1.00 0.00 C ATOM 0 H ILE A 61 10.011 -5.220 3.410 1.00 0.00 H new ATOM 0 HA ILE A 61 8.905 -5.773 0.720 1.00 0.00 H new ATOM 0 HB ILE A 61 9.230 -3.470 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.688 -2.715 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.554 -4.239 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.471 -2.567 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.932 -3.785 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.141 -4.214 1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.890 -4.169 -2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.467 -5.438 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.588 -3.891 -1.185 1.00 0.00 H new ATOM 991 N ASP A 62 12.054 -6.465 1.510 1.00 0.00 N ATOM 992 CA ASP A 62 13.216 -7.291 1.051 1.00 0.00 C ATOM 993 C ASP A 62 13.052 -8.746 1.509 1.00 0.00 C ATOM 994 O ASP A 62 13.859 -9.598 1.194 1.00 0.00 O ATOM 995 CB ASP A 62 14.506 -6.721 1.646 1.00 0.00 C ATOM 996 CG ASP A 62 14.727 -5.302 1.121 1.00 0.00 C ATOM 997 OD1 ASP A 62 14.319 -5.035 0.003 1.00 0.00 O ATOM 998 OD2 ASP A 62 15.300 -4.506 1.846 1.00 0.00 O ATOM 0 H ASP A 62 12.191 -5.976 2.394 1.00 0.00 H new ATOM 0 HA ASP A 62 13.260 -7.264 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.444 -6.712 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.352 -7.354 1.380 1.00 0.00 H new ATOM 1003 N THR A 63 12.023 -9.036 2.256 1.00 0.00 N ATOM 1004 CA THR A 63 11.812 -10.434 2.745 1.00 0.00 C ATOM 1005 C THR A 63 11.017 -11.230 1.704 1.00 0.00 C ATOM 1006 O THR A 63 10.958 -12.442 1.750 1.00 0.00 O ATOM 1007 CB THR A 63 11.058 -10.360 4.093 1.00 0.00 C ATOM 1008 OG1 THR A 63 11.964 -10.646 5.148 1.00 0.00 O ATOM 1009 CG2 THR A 63 9.876 -11.345 4.168 1.00 0.00 C ATOM 0 H THR A 63 11.315 -8.364 2.552 1.00 0.00 H new ATOM 0 HA THR A 63 12.764 -10.944 2.893 1.00 0.00 H new ATOM 0 HB THR A 63 10.652 -9.353 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.493 -10.599 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.384 -11.249 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.164 -11.119 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.243 -12.364 4.047 1.00 0.00 H new ATOM 1017 N LEU A 64 10.388 -10.561 0.785 1.00 0.00 N ATOM 1018 CA LEU A 64 9.584 -11.293 -0.228 1.00 0.00 C ATOM 1019 C LEU A 64 10.529 -11.941 -1.248 1.00 0.00 C ATOM 1020 O LEU A 64 10.101 -12.506 -2.234 1.00 0.00 O ATOM 1021 CB LEU A 64 8.617 -10.329 -0.950 1.00 0.00 C ATOM 1022 CG LEU A 64 8.190 -9.164 -0.038 1.00 0.00 C ATOM 1023 CD1 LEU A 64 7.358 -8.178 -0.856 1.00 0.00 C ATOM 1024 CD2 LEU A 64 7.355 -9.677 1.154 1.00 0.00 C ATOM 0 H LEU A 64 10.394 -9.545 0.690 1.00 0.00 H new ATOM 0 HA LEU A 64 8.995 -12.063 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.098 -9.934 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.734 -10.877 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 64 9.082 -8.675 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.049 -7.348 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.955 -7.798 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.475 -8.684 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.065 -8.836 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.461 -10.178 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.949 -10.380 1.738 1.00 0.00 H new TER 1036 LEU A 64