USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 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 17 SER OG : rot 180:sc= -0.191 USER MOD Set 1.2: A 20 MET CE :methyl -172:sc= -0.331 (180deg=-0.774) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -124:sc= 0.132 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.34 K(o=-2.3,f=-8!) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00384) USER MOD Single : A 19 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 24 THR OG1 : rot 98:sc= 0.88 USER MOD Single : A 29 ASN : amide:sc= -6.2! C(o=-6.2!,f=-19!) USER MOD Single : A 31 ASN : amide:sc= -3.01 K(o=-3,f=-2.1) USER MOD Single : A 33 HIS : no HE2:sc= -2.76 K(o=-2.8,f=-3.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 150:sc= 0.407 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -170:sc= 0.0627 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.145 K(o=-0.14,f=-16!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 174:sc= 1.07 USER MOD Single : A 64 SER OG : rot 150:sc=-0.00172 USER MOD Single : A 67 HIS : no HE2:sc= 0.148 K(o=0.15,f=-9.2!) USER MOD Single : A 69 THR OG1 : rot -1:sc= 1.08 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 8.606 8.342 -11.239 1.00 0.00 C HETATM 2 O ACE A 0 9.481 8.678 -12.030 1.00 0.00 O HETATM 3 CH3 ACE A 0 7.497 9.299 -10.865 1.00 0.00 C HETATM 0 H1 ACE A 0 6.535 8.866 -11.140 1.00 0.00 H new HETATM 0 H2 ACE A 0 7.520 9.480 -9.790 1.00 0.00 H new HETATM 0 H3 ACE A 0 7.636 10.242 -11.395 1.00 0.00 H new ATOM 7 N SER A 1 8.543 7.147 -10.650 1.00 0.00 N ATOM 8 CA SER A 1 9.530 6.042 -10.866 1.00 0.00 C ATOM 9 C SER A 1 10.965 6.314 -10.286 1.00 0.00 C ATOM 10 O SER A 1 11.704 7.186 -10.755 1.00 0.00 O ATOM 11 CB SER A 1 9.552 5.546 -12.333 1.00 0.00 C ATOM 12 OG SER A 1 10.249 4.302 -12.445 1.00 0.00 O ATOM 0 H SER A 1 7.801 6.897 -9.996 1.00 0.00 H new ATOM 0 HA SER A 1 9.156 5.217 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.531 5.428 -12.696 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.031 6.293 -12.966 1.00 0.00 H new ATOM 0 HG SER A 1 10.247 4.009 -13.380 1.00 0.00 H new ATOM 18 N ARG A 2 11.367 5.600 -9.215 1.00 0.00 N ATOM 19 CA ARG A 2 12.662 5.779 -8.569 1.00 0.00 C ATOM 20 C ARG A 2 13.033 4.546 -7.754 1.00 0.00 C ATOM 21 O ARG A 2 12.902 4.539 -6.529 1.00 0.00 O ATOM 22 CB ARG A 2 12.634 7.013 -7.665 1.00 0.00 C ATOM 23 CG ARG A 2 13.991 7.372 -7.082 1.00 0.00 C ATOM 24 CD ARG A 2 14.961 7.824 -8.162 1.00 0.00 C ATOM 25 NE ARG A 2 15.699 9.021 -7.768 1.00 0.00 N ATOM 26 CZ ARG A 2 16.647 9.585 -8.513 1.00 0.00 C ATOM 27 NH1 ARG A 2 16.975 9.063 -9.689 1.00 0.00 N ATOM 28 NH2 ARG A 2 17.270 10.673 -8.080 1.00 0.00 N ATOM 0 H ARG A 2 10.790 4.880 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 2 13.415 5.921 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.257 7.862 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.932 6.840 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.872 8.165 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.403 6.509 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 2 15.664 7.019 -8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 2 14.412 8.023 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 2 15.475 9.450 -6.870 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.500 8.226 -10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 2 17.702 9.499 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.023 11.077 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 2 17.997 11.106 -8.650 1.00 0.00 H new ATOM 42 N ARG A 3 13.491 3.500 -8.439 1.00 0.00 N ATOM 43 CA ARG A 3 13.876 2.258 -7.775 1.00 0.00 C ATOM 44 C ARG A 3 12.812 1.831 -6.771 1.00 0.00 C ATOM 45 O ARG A 3 12.919 2.118 -5.579 1.00 0.00 O ATOM 46 CB ARG A 3 15.223 2.427 -7.071 1.00 0.00 C ATOM 47 CG ARG A 3 16.303 3.025 -7.960 1.00 0.00 C ATOM 48 CD ARG A 3 16.943 4.245 -7.316 1.00 0.00 C ATOM 49 NE ARG A 3 17.629 3.909 -6.069 1.00 0.00 N ATOM 50 CZ ARG A 3 17.453 4.556 -4.918 1.00 0.00 C ATOM 51 NH1 ARG A 3 16.620 5.587 -4.839 1.00 0.00 N ATOM 52 NH2 ARG A 3 18.119 4.171 -3.837 1.00 0.00 N ATOM 0 H ARG A 3 13.604 3.488 -9.453 1.00 0.00 H new ATOM 0 HA ARG A 3 13.969 1.481 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 3 15.089 3.064 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 3 15.559 1.455 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 3 17.068 2.275 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.871 3.304 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 3 17.653 4.692 -8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 3 16.177 4.994 -7.118 1.00 0.00 H new ATOM 0 HE ARG A 3 18.285 3.128 -6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.106 5.892 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.494 6.074 -3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.763 3.382 -3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.987 4.664 -2.954 1.00 0.00 H new ATOM 66 N CYS A 4 11.778 1.157 -7.262 1.00 0.00 N ATOM 67 CA CYS A 4 10.690 0.707 -6.406 1.00 0.00 C ATOM 68 C CYS A 4 10.653 -0.805 -6.302 1.00 0.00 C ATOM 69 O CYS A 4 10.659 -1.508 -7.313 1.00 0.00 O ATOM 70 CB CYS A 4 9.354 1.231 -6.933 1.00 0.00 C ATOM 71 SG CYS A 4 8.061 1.375 -5.661 1.00 0.00 S ATOM 0 H CYS A 4 11.672 0.911 -8.246 1.00 0.00 H new ATOM 0 HA CYS A 4 10.864 1.106 -5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 4 9.513 2.209 -7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.001 0.567 -7.722 1.00 0.00 H new ATOM 76 N PRO A 5 10.617 -1.334 -5.066 1.00 0.00 N ATOM 77 CA PRO A 5 10.579 -2.771 -4.847 1.00 0.00 C ATOM 78 C PRO A 5 9.300 -3.392 -5.394 1.00 0.00 C ATOM 79 O PRO A 5 8.311 -2.695 -5.616 1.00 0.00 O ATOM 80 CB PRO A 5 10.638 -2.924 -3.319 1.00 0.00 C ATOM 81 CG PRO A 5 11.099 -1.602 -2.809 1.00 0.00 C ATOM 82 CD PRO A 5 10.615 -0.584 -3.799 1.00 0.00 C ATOM 0 HA PRO A 5 11.397 -3.279 -5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.661 -3.184 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.325 -3.719 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.694 -1.404 -1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.185 -1.575 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.620 -0.217 -3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.273 0.284 -3.842 1.00 0.00 H new ATOM 89 N GLY A 6 9.320 -4.704 -5.609 1.00 0.00 N ATOM 90 CA GLY A 6 8.145 -5.385 -6.126 1.00 0.00 C ATOM 91 C GLY A 6 7.645 -4.778 -7.421 1.00 0.00 C ATOM 92 O GLY A 6 8.150 -3.749 -7.870 1.00 0.00 O ATOM 0 H GLY A 6 10.125 -5.306 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.381 -6.437 -6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.350 -5.348 -5.381 1.00 0.00 H new ATOM 96 N LYS A 7 6.644 -5.413 -8.016 1.00 0.00 N ATOM 97 CA LYS A 7 6.066 -4.936 -9.264 1.00 0.00 C ATOM 98 C LYS A 7 5.518 -3.515 -9.102 1.00 0.00 C ATOM 99 O LYS A 7 5.191 -3.088 -7.991 1.00 0.00 O ATOM 100 CB LYS A 7 4.988 -5.908 -9.732 1.00 0.00 C ATOM 101 CG LYS A 7 4.427 -5.564 -11.095 1.00 0.00 C ATOM 102 CD LYS A 7 3.605 -6.708 -11.667 1.00 0.00 C ATOM 103 CE LYS A 7 4.495 -7.768 -12.292 1.00 0.00 C ATOM 104 NZ LYS A 7 3.704 -8.896 -12.859 1.00 0.00 N ATOM 0 H LYS A 7 6.214 -6.263 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 7 6.843 -4.893 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.404 -6.915 -9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.177 -5.919 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.806 -4.672 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.244 -5.326 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.002 -7.156 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.913 -6.323 -12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.099 -7.317 -13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.186 -8.151 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.024 -9.791 -12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.696 -8.754 -12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.840 -8.932 -13.889 1.00 0.00 H new ATOM 118 N ASN A 8 5.460 -2.774 -10.213 1.00 0.00 N ATOM 119 CA ASN A 8 4.995 -1.385 -10.193 1.00 0.00 C ATOM 120 C ASN A 8 3.615 -1.217 -10.831 1.00 0.00 C ATOM 121 O ASN A 8 2.932 -0.230 -10.582 1.00 0.00 O ATOM 122 CB ASN A 8 6.010 -0.492 -10.915 1.00 0.00 C ATOM 123 CG ASN A 8 6.582 0.590 -10.019 1.00 0.00 C ATOM 124 OD1 ASN A 8 5.844 1.329 -9.368 1.00 0.00 O ATOM 125 ND2 ASN A 8 7.905 0.687 -9.982 1.00 0.00 N ATOM 0 H ASN A 8 5.729 -3.113 -11.136 1.00 0.00 H new ATOM 0 HA ASN A 8 4.905 -1.089 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.823 -1.109 -11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.531 -0.028 -11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.348 1.395 -9.397 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.479 0.053 -10.538 1.00 0.00 H new ATOM 132 N ALA A 9 3.213 -2.171 -11.656 1.00 0.00 N ATOM 133 CA ALA A 9 1.920 -2.110 -12.326 1.00 0.00 C ATOM 134 C ALA A 9 1.363 -3.510 -12.525 1.00 0.00 C ATOM 135 O ALA A 9 2.042 -4.383 -13.066 1.00 0.00 O ATOM 136 CB ALA A 9 2.051 -1.395 -13.662 1.00 0.00 C ATOM 0 H ALA A 9 3.764 -3.000 -11.879 1.00 0.00 H new ATOM 0 HA ALA A 9 1.228 -1.548 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.078 -1.357 -14.151 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.415 -0.381 -13.498 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.755 -1.934 -14.296 1.00 0.00 H new ATOM 142 N TRP A 10 0.133 -3.733 -12.079 1.00 0.00 N ATOM 143 CA TRP A 10 -0.480 -5.047 -12.212 1.00 0.00 C ATOM 144 C TRP A 10 -1.592 -5.052 -13.258 1.00 0.00 C ATOM 145 O TRP A 10 -2.769 -5.104 -12.922 1.00 0.00 O ATOM 146 CB TRP A 10 -1.022 -5.509 -10.861 1.00 0.00 C ATOM 147 CG TRP A 10 0.060 -5.808 -9.871 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.549 -7.035 -9.537 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.793 -4.857 -9.091 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.546 -6.905 -8.601 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.712 -5.578 -8.311 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.761 -3.469 -8.980 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.595 -4.956 -7.430 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.635 -2.847 -8.104 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.541 -3.592 -7.340 1.00 0.00 C ATOM 0 H TRP A 10 -0.453 -3.030 -11.628 1.00 0.00 H new ATOM 0 HA TRP A 10 0.290 -5.741 -12.550 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.676 -4.738 -10.455 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.632 -6.401 -11.006 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.204 -7.972 -9.948 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.076 -7.673 -8.189 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.066 -2.887 -9.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.295 -5.529 -6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.617 -1.771 -8.009 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.211 -3.079 -6.666 1.00 0.00 H new ATOM 166 N PRO A 11 -1.235 -5.012 -14.551 1.00 0.00 N ATOM 167 CA PRO A 11 -2.224 -5.026 -15.631 1.00 0.00 C ATOM 168 C PRO A 11 -3.093 -6.277 -15.587 1.00 0.00 C ATOM 169 O PRO A 11 -4.293 -6.228 -15.867 1.00 0.00 O ATOM 170 CB PRO A 11 -1.377 -5.003 -16.910 1.00 0.00 C ATOM 171 CG PRO A 11 -0.009 -5.421 -16.487 1.00 0.00 C ATOM 172 CD PRO A 11 0.144 -4.966 -15.063 1.00 0.00 C ATOM 0 HA PRO A 11 -2.916 -4.187 -15.560 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.781 -5.682 -17.661 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.364 -4.008 -17.355 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.110 -6.502 -16.566 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.751 -4.969 -17.124 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.806 -5.622 -14.498 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.564 -3.962 -15.003 1.00 0.00 H new ATOM 179 N GLU A 12 -2.477 -7.400 -15.227 1.00 0.00 N ATOM 180 CA GLU A 12 -3.187 -8.671 -15.140 1.00 0.00 C ATOM 181 C GLU A 12 -4.279 -8.641 -14.071 1.00 0.00 C ATOM 182 O GLU A 12 -5.092 -9.562 -13.987 1.00 0.00 O ATOM 183 CB GLU A 12 -2.208 -9.804 -14.858 1.00 0.00 C ATOM 184 CG GLU A 12 -1.522 -9.687 -13.513 1.00 0.00 C ATOM 185 CD GLU A 12 -0.082 -9.231 -13.635 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.179 -8.296 -14.421 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.784 -9.810 -12.944 1.00 0.00 O ATOM 0 H GLU A 12 -1.486 -7.455 -14.991 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.671 -8.843 -16.102 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.740 -10.754 -14.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.452 -9.824 -15.643 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.071 -8.983 -12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.553 -10.652 -13.008 1.00 0.00 H new ATOM 194 N LEU A 13 -4.306 -7.586 -13.258 1.00 0.00 N ATOM 195 CA LEU A 13 -5.319 -7.470 -12.219 1.00 0.00 C ATOM 196 C LEU A 13 -6.627 -6.952 -12.804 1.00 0.00 C ATOM 197 O LEU A 13 -7.701 -7.193 -12.254 1.00 0.00 O ATOM 198 CB LEU A 13 -4.851 -6.542 -11.092 1.00 0.00 C ATOM 199 CG LEU A 13 -3.937 -7.190 -10.049 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.701 -6.236 -8.888 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.530 -8.500 -9.552 1.00 0.00 C ATOM 0 H LEU A 13 -3.645 -6.810 -13.300 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.483 -8.464 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.327 -5.695 -11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.729 -6.143 -10.584 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.978 -7.408 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.049 -6.710 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.230 -5.324 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.654 -5.989 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.864 -8.943 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.502 -8.310 -9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.649 -9.187 -10.390 1.00 0.00 H new ATOM 213 N VAL A 14 -6.533 -6.243 -13.926 1.00 0.00 N ATOM 214 CA VAL A 14 -7.713 -5.693 -14.582 1.00 0.00 C ATOM 215 C VAL A 14 -8.729 -6.790 -14.887 1.00 0.00 C ATOM 216 O VAL A 14 -8.481 -7.668 -15.713 1.00 0.00 O ATOM 217 CB VAL A 14 -7.336 -4.974 -15.891 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.555 -4.302 -16.506 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.223 -3.963 -15.646 1.00 0.00 C ATOM 0 H VAL A 14 -5.653 -6.037 -14.398 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.158 -4.973 -13.895 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.969 -5.718 -16.598 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.267 -3.800 -17.430 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.314 -5.054 -16.723 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.959 -3.570 -15.806 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.971 -3.466 -16.582 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.558 -3.222 -14.920 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.343 -4.477 -15.260 1.00 0.00 H new ATOM 229 N GLY A 15 -9.867 -6.741 -14.204 1.00 0.00 N ATOM 230 CA GLY A 15 -10.897 -7.740 -14.409 1.00 0.00 C ATOM 231 C GLY A 15 -11.109 -8.612 -13.185 1.00 0.00 C ATOM 232 O GLY A 15 -12.038 -9.419 -13.145 1.00 0.00 O ATOM 0 H GLY A 15 -10.094 -6.027 -13.512 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.834 -7.245 -14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.626 -8.369 -15.257 1.00 0.00 H new ATOM 236 N LYS A 16 -10.252 -8.446 -12.180 1.00 0.00 N ATOM 237 CA LYS A 16 -10.362 -9.223 -10.950 1.00 0.00 C ATOM 238 C LYS A 16 -10.980 -8.379 -9.838 1.00 0.00 C ATOM 239 O LYS A 16 -10.986 -7.151 -9.911 1.00 0.00 O ATOM 240 CB LYS A 16 -8.989 -9.743 -10.521 1.00 0.00 C ATOM 241 CG LYS A 16 -8.752 -11.203 -10.877 1.00 0.00 C ATOM 242 CD LYS A 16 -9.440 -12.137 -9.893 1.00 0.00 C ATOM 243 CE LYS A 16 -9.545 -13.551 -10.444 1.00 0.00 C ATOM 244 NZ LYS A 16 -8.207 -14.173 -10.647 1.00 0.00 N ATOM 0 H LYS A 16 -9.477 -7.783 -12.194 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.013 -10.077 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.216 -9.133 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.883 -9.619 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.122 -11.397 -11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.681 -11.407 -10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.885 -12.152 -8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.437 -11.759 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.129 -14.165 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.083 -13.531 -11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.326 -15.147 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.670 -13.622 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.689 -14.185 -9.745 1.00 0.00 H new ATOM 258 N SER A 17 -11.505 -9.042 -8.812 1.00 0.00 N ATOM 259 CA SER A 17 -12.128 -8.341 -7.693 1.00 0.00 C ATOM 260 C SER A 17 -11.153 -7.360 -7.055 1.00 0.00 C ATOM 261 O SER A 17 -9.990 -7.692 -6.823 1.00 0.00 O ATOM 262 CB SER A 17 -12.620 -9.338 -6.640 1.00 0.00 C ATOM 263 OG SER A 17 -11.569 -9.721 -5.770 1.00 0.00 O ATOM 0 H SER A 17 -11.512 -10.059 -8.732 1.00 0.00 H new ATOM 0 HA SER A 17 -12.980 -7.784 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.430 -8.892 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.028 -10.220 -7.133 1.00 0.00 H new ATOM 0 HG SER A 17 -11.909 -10.356 -5.106 1.00 0.00 H new ATOM 269 N GLY A 18 -11.635 -6.155 -6.761 1.00 0.00 N ATOM 270 CA GLY A 18 -10.790 -5.147 -6.143 1.00 0.00 C ATOM 271 C GLY A 18 -9.989 -5.705 -4.982 1.00 0.00 C ATOM 272 O GLY A 18 -8.875 -5.256 -4.709 1.00 0.00 O ATOM 0 H GLY A 18 -12.595 -5.859 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.109 -4.739 -6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.409 -4.322 -5.792 1.00 0.00 H new ATOM 276 N ASN A 19 -10.557 -6.700 -4.305 1.00 0.00 N ATOM 277 CA ASN A 19 -9.890 -7.330 -3.173 1.00 0.00 C ATOM 278 C ASN A 19 -8.717 -8.175 -3.653 1.00 0.00 C ATOM 279 O ASN A 19 -7.627 -8.123 -3.083 1.00 0.00 O ATOM 280 CB ASN A 19 -10.875 -8.199 -2.387 1.00 0.00 C ATOM 281 CG ASN A 19 -10.854 -7.895 -0.901 1.00 0.00 C ATOM 282 OD1 ASN A 19 -10.479 -8.740 -0.088 1.00 0.00 O ATOM 283 ND2 ASN A 19 -11.257 -6.682 -0.540 1.00 0.00 N ATOM 0 H ASN A 19 -11.476 -7.086 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.514 -6.546 -2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.882 -8.042 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.633 -9.250 -2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.264 -6.419 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.559 -6.013 -1.248 1.00 0.00 H new ATOM 290 N MET A 20 -8.948 -8.948 -4.709 1.00 0.00 N ATOM 291 CA MET A 20 -7.906 -9.796 -5.270 1.00 0.00 C ATOM 292 C MET A 20 -6.786 -8.937 -5.842 1.00 0.00 C ATOM 293 O MET A 20 -5.615 -9.317 -5.810 1.00 0.00 O ATOM 294 CB MET A 20 -8.486 -10.705 -6.358 1.00 0.00 C ATOM 295 CG MET A 20 -8.051 -12.156 -6.232 1.00 0.00 C ATOM 296 SD MET A 20 -9.291 -13.183 -5.420 1.00 0.00 S ATOM 297 CE MET A 20 -9.583 -12.244 -3.923 1.00 0.00 C ATOM 0 H MET A 20 -9.845 -9.004 -5.191 1.00 0.00 H new ATOM 0 HA MET A 20 -7.499 -10.423 -4.476 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.574 -10.656 -6.319 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.184 -10.327 -7.335 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.845 -12.557 -7.224 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.119 -12.205 -5.669 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.219 -12.820 -3.251 1.00 0.00 H new ATOM 0 HE2 MET A 20 -8.632 -12.035 -3.433 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.076 -11.305 -4.173 1.00 0.00 H new ATOM 307 N ALA A 21 -7.155 -7.766 -6.353 1.00 0.00 N ATOM 308 CA ALA A 21 -6.188 -6.839 -6.920 1.00 0.00 C ATOM 309 C ALA A 21 -5.285 -6.274 -5.829 1.00 0.00 C ATOM 310 O ALA A 21 -4.066 -6.459 -5.857 1.00 0.00 O ATOM 311 CB ALA A 21 -6.901 -5.716 -7.660 1.00 0.00 C ATOM 0 H ALA A 21 -8.120 -7.438 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.566 -7.381 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.164 -5.031 -8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.504 -6.136 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.546 -5.176 -6.967 1.00 0.00 H new ATOM 317 N ALA A 22 -5.894 -5.598 -4.857 1.00 0.00 N ATOM 318 CA ALA A 22 -5.142 -5.018 -3.750 1.00 0.00 C ATOM 319 C ALA A 22 -4.286 -6.076 -3.066 1.00 0.00 C ATOM 320 O ALA A 22 -3.145 -5.817 -2.685 1.00 0.00 O ATOM 321 CB ALA A 22 -6.087 -4.368 -2.749 1.00 0.00 C ATOM 0 H ALA A 22 -6.901 -5.440 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.480 -4.251 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.510 -3.940 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.655 -3.580 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.774 -5.118 -2.357 1.00 0.00 H new ATOM 327 N ALA A 23 -4.849 -7.273 -2.920 1.00 0.00 N ATOM 328 CA ALA A 23 -4.137 -8.375 -2.291 1.00 0.00 C ATOM 329 C ALA A 23 -2.921 -8.769 -3.117 1.00 0.00 C ATOM 330 O ALA A 23 -1.832 -8.967 -2.580 1.00 0.00 O ATOM 331 CB ALA A 23 -5.065 -9.567 -2.107 1.00 0.00 C ATOM 0 H ALA A 23 -5.794 -7.501 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.792 -8.048 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.519 -10.384 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.905 -9.280 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.436 -9.892 -3.079 1.00 0.00 H new ATOM 337 N THR A 24 -3.109 -8.870 -4.429 1.00 0.00 N ATOM 338 CA THR A 24 -2.021 -9.235 -5.328 1.00 0.00 C ATOM 339 C THR A 24 -0.880 -8.230 -5.221 1.00 0.00 C ATOM 340 O THR A 24 0.290 -8.609 -5.216 1.00 0.00 O ATOM 341 CB THR A 24 -2.520 -9.310 -6.771 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.578 -10.245 -6.887 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.445 -9.709 -7.758 1.00 0.00 C ATOM 0 H THR A 24 -4.003 -8.705 -4.892 1.00 0.00 H new ATOM 0 HA THR A 24 -1.651 -10.217 -5.035 1.00 0.00 H new ATOM 0 HB THR A 24 -2.855 -8.301 -7.013 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.436 -9.773 -6.859 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.867 -9.743 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.636 -8.979 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.056 -10.693 -7.495 1.00 0.00 H new ATOM 351 N VAL A 25 -1.228 -6.950 -5.131 1.00 0.00 N ATOM 352 CA VAL A 25 -0.226 -5.899 -5.017 1.00 0.00 C ATOM 353 C VAL A 25 0.546 -6.016 -3.707 1.00 0.00 C ATOM 354 O VAL A 25 1.769 -6.128 -3.710 1.00 0.00 O ATOM 355 CB VAL A 25 -0.861 -4.496 -5.118 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.197 -3.406 -5.025 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.654 -4.364 -6.410 1.00 0.00 C ATOM 0 H VAL A 25 -2.192 -6.618 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 25 0.465 -6.028 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.543 -4.372 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.280 -2.429 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.717 -3.484 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.913 -3.523 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.095 -3.369 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.990 -4.515 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.445 -5.113 -6.429 1.00 0.00 H new ATOM 367 N GLU A 26 -0.167 -5.981 -2.588 1.00 0.00 N ATOM 368 CA GLU A 26 0.470 -6.080 -1.283 1.00 0.00 C ATOM 369 C GLU A 26 1.168 -7.427 -1.103 1.00 0.00 C ATOM 370 O GLU A 26 2.099 -7.547 -0.308 1.00 0.00 O ATOM 371 CB GLU A 26 -0.564 -5.867 -0.177 1.00 0.00 C ATOM 372 CG GLU A 26 -1.073 -4.437 -0.104 1.00 0.00 C ATOM 373 CD GLU A 26 -2.532 -4.350 0.293 1.00 0.00 C ATOM 374 OE1 GLU A 26 -2.977 -5.184 1.108 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.228 -3.443 -0.211 1.00 0.00 O ATOM 0 H GLU A 26 -1.182 -5.885 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 26 1.229 -5.301 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.407 -6.538 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.123 -6.139 0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.472 -3.879 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.936 -3.958 -1.074 1.00 0.00 H new ATOM 382 N ARG A 27 0.716 -8.437 -1.842 1.00 0.00 N ATOM 383 CA ARG A 27 1.311 -9.767 -1.755 1.00 0.00 C ATOM 384 C ARG A 27 2.589 -9.845 -2.586 1.00 0.00 C ATOM 385 O ARG A 27 3.664 -10.140 -2.064 1.00 0.00 O ATOM 386 CB ARG A 27 0.316 -10.832 -2.222 1.00 0.00 C ATOM 387 CG ARG A 27 0.666 -12.238 -1.761 1.00 0.00 C ATOM 388 CD ARG A 27 -0.467 -13.212 -2.043 1.00 0.00 C ATOM 389 NE ARG A 27 -1.648 -12.929 -1.230 1.00 0.00 N ATOM 390 CZ ARG A 27 -2.115 -13.734 -0.277 1.00 0.00 C ATOM 391 NH1 ARG A 27 -1.504 -14.881 0.003 1.00 0.00 N ATOM 392 NH2 ARG A 27 -3.199 -13.390 0.405 1.00 0.00 N ATOM 0 H ARG A 27 -0.056 -8.360 -2.504 1.00 0.00 H new ATOM 0 HA ARG A 27 1.564 -9.955 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.677 -10.575 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.266 -10.818 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.571 -12.574 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.883 -12.229 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.733 -13.162 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.128 -14.229 -1.847 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.148 -12.057 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.668 -15.153 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.871 -15.489 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.673 -12.511 0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.559 -14.005 1.135 1.00 0.00 H new ATOM 406 N GLU A 28 2.468 -9.569 -3.883 1.00 0.00 N ATOM 407 CA GLU A 28 3.618 -9.598 -4.779 1.00 0.00 C ATOM 408 C GLU A 28 4.626 -8.527 -4.383 1.00 0.00 C ATOM 409 O GLU A 28 5.835 -8.735 -4.456 1.00 0.00 O ATOM 410 CB GLU A 28 3.177 -9.388 -6.230 1.00 0.00 C ATOM 411 CG GLU A 28 2.333 -10.528 -6.780 1.00 0.00 C ATOM 412 CD GLU A 28 2.097 -10.413 -8.275 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.514 -9.395 -8.867 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.497 -11.343 -8.853 1.00 0.00 O ATOM 0 H GLU A 28 1.587 -9.324 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 28 4.090 -10.577 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.609 -8.460 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.061 -9.267 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.826 -11.476 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.373 -10.545 -6.265 1.00 0.00 H new ATOM 421 N ASN A 29 4.109 -7.381 -3.954 1.00 0.00 N ATOM 422 CA ASN A 29 4.945 -6.265 -3.535 1.00 0.00 C ATOM 423 C ASN A 29 4.643 -5.890 -2.089 1.00 0.00 C ATOM 424 O ASN A 29 3.944 -4.913 -1.818 1.00 0.00 O ATOM 425 CB ASN A 29 4.713 -5.067 -4.456 1.00 0.00 C ATOM 426 CG ASN A 29 5.569 -3.874 -4.083 1.00 0.00 C ATOM 427 OD1 ASN A 29 5.993 -3.734 -2.931 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.830 -3.007 -5.059 1.00 0.00 N ATOM 0 H ASN A 29 3.107 -7.201 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 29 5.991 -6.563 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.928 -5.357 -5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.662 -4.782 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.403 -2.184 -4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.457 -3.166 -5.995 1.00 0.00 H new ATOM 435 N ARG A 30 5.181 -6.677 -1.164 1.00 0.00 N ATOM 436 CA ARG A 30 4.978 -6.449 0.263 1.00 0.00 C ATOM 437 C ARG A 30 5.579 -5.121 0.728 1.00 0.00 C ATOM 438 O ARG A 30 5.478 -4.775 1.905 1.00 0.00 O ATOM 439 CB ARG A 30 5.586 -7.601 1.065 1.00 0.00 C ATOM 440 CG ARG A 30 5.102 -7.665 2.505 1.00 0.00 C ATOM 441 CD ARG A 30 5.213 -9.074 3.068 1.00 0.00 C ATOM 442 NE ARG A 30 5.765 -9.080 4.421 1.00 0.00 N ATOM 443 CZ ARG A 30 7.008 -8.706 4.717 1.00 0.00 C ATOM 444 NH1 ARG A 30 7.831 -8.296 3.760 1.00 0.00 N ATOM 445 NH2 ARG A 30 7.429 -8.743 5.974 1.00 0.00 N ATOM 0 H ARG A 30 5.766 -7.485 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 30 3.903 -6.401 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.349 -8.542 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.672 -7.503 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.688 -6.980 3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.065 -7.332 2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.228 -9.540 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.845 -9.677 2.416 1.00 0.00 H new ATOM 0 HE ARG A 30 5.162 -9.389 5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.512 -8.266 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.782 -8.011 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.801 -9.058 6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.381 -8.457 6.202 1.00 0.00 H new ATOM 459 N ASN A 31 6.203 -4.376 -0.184 1.00 0.00 N ATOM 460 CA ASN A 31 6.804 -3.097 0.173 1.00 0.00 C ATOM 461 C ASN A 31 5.835 -1.941 -0.067 1.00 0.00 C ATOM 462 O ASN A 31 6.085 -0.815 0.362 1.00 0.00 O ATOM 463 CB ASN A 31 8.087 -2.876 -0.623 1.00 0.00 C ATOM 464 CG ASN A 31 8.807 -1.603 -0.221 1.00 0.00 C ATOM 465 OD1 ASN A 31 9.744 -1.633 0.575 1.00 0.00 O ATOM 466 ND2 ASN A 31 8.371 -0.477 -0.773 1.00 0.00 N ATOM 0 H ASN A 31 6.304 -4.635 -1.165 1.00 0.00 H new ATOM 0 HA ASN A 31 7.041 -3.125 1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.752 -3.727 -0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.849 -2.835 -1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.817 0.411 -0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.590 -0.500 -1.429 1.00 0.00 H new ATOM 473 N VAL A 32 4.736 -2.219 -0.762 1.00 0.00 N ATOM 474 CA VAL A 32 3.746 -1.192 -1.059 1.00 0.00 C ATOM 475 C VAL A 32 2.367 -1.574 -0.534 1.00 0.00 C ATOM 476 O VAL A 32 2.149 -2.700 -0.089 1.00 0.00 O ATOM 477 CB VAL A 32 3.660 -0.929 -2.575 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.039 -0.615 -3.136 1.00 0.00 C ATOM 479 CG2 VAL A 32 3.044 -2.121 -3.298 1.00 0.00 C ATOM 0 H VAL A 32 4.510 -3.144 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 32 4.072 -0.282 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 32 3.015 -0.066 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.963 -0.431 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.439 0.271 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.705 -1.460 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.994 -1.912 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.658 -3.006 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.039 -2.299 -2.915 1.00 0.00 H new ATOM 489 N HIS A 33 1.441 -0.622 -0.592 1.00 0.00 N ATOM 490 CA HIS A 33 0.074 -0.848 -0.132 1.00 0.00 C ATOM 491 C HIS A 33 -0.921 -0.379 -1.196 1.00 0.00 C ATOM 492 O HIS A 33 -0.775 0.707 -1.759 1.00 0.00 O ATOM 493 CB HIS A 33 -0.152 -0.128 1.212 1.00 0.00 C ATOM 494 CG HIS A 33 -1.335 0.794 1.245 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.596 0.389 1.629 1.00 0.00 N ATOM 496 CD2 HIS A 33 -1.438 2.112 0.951 1.00 0.00 C ATOM 497 CE1 HIS A 33 -3.423 1.417 1.569 1.00 0.00 C ATOM 498 NE2 HIS A 33 -2.746 2.474 1.162 1.00 0.00 N ATOM 0 H HIS A 33 1.613 0.316 -0.954 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.086 -1.914 0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.273 -0.878 1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.743 0.444 1.456 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.850 -0.557 1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.641 2.758 0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.475 1.396 1.812 1.00 0.00 H new ATOM 507 N ALA A 34 -1.918 -1.212 -1.484 1.00 0.00 N ATOM 508 CA ALA A 34 -2.913 -0.878 -2.491 1.00 0.00 C ATOM 509 C ALA A 34 -4.241 -0.489 -1.858 1.00 0.00 C ATOM 510 O ALA A 34 -4.724 -1.154 -0.942 1.00 0.00 O ATOM 511 CB ALA A 34 -3.104 -2.042 -3.451 1.00 0.00 C ATOM 0 H ALA A 34 -2.055 -2.118 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.546 -0.015 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.851 -1.778 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.159 -2.265 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.439 -2.919 -2.897 1.00 0.00 H new ATOM 517 N ILE A 35 -4.831 0.590 -2.364 1.00 0.00 N ATOM 518 CA ILE A 35 -6.111 1.073 -1.862 1.00 0.00 C ATOM 519 C ILE A 35 -7.234 0.716 -2.828 1.00 0.00 C ATOM 520 O ILE A 35 -7.192 1.081 -4.003 1.00 0.00 O ATOM 521 CB ILE A 35 -6.096 2.596 -1.652 1.00 0.00 C ATOM 522 CG1 ILE A 35 -4.864 3.014 -0.849 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.370 3.046 -0.952 1.00 0.00 C ATOM 524 CD1 ILE A 35 -4.583 4.499 -0.902 1.00 0.00 C ATOM 0 H ILE A 35 -4.441 1.147 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.283 0.588 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.049 3.080 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.999 2.715 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.995 2.474 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.345 4.126 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.234 2.780 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.445 2.554 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.695 4.723 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.415 4.801 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.435 5.045 -0.498 1.00 0.00 H new ATOM 536 N VAL A 36 -8.233 -0.002 -2.334 1.00 0.00 N ATOM 537 CA VAL A 36 -9.354 -0.404 -3.165 1.00 0.00 C ATOM 538 C VAL A 36 -10.476 0.625 -3.104 1.00 0.00 C ATOM 539 O VAL A 36 -10.984 0.948 -2.031 1.00 0.00 O ATOM 540 CB VAL A 36 -9.893 -1.781 -2.735 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.052 -2.217 -3.621 1.00 0.00 C ATOM 542 CG2 VAL A 36 -8.778 -2.817 -2.756 1.00 0.00 C ATOM 0 H VAL A 36 -8.288 -0.316 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 36 -8.992 -0.471 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.268 -1.696 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.413 -3.192 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.860 -1.489 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.715 -2.283 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.175 -3.785 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.372 -2.894 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.988 -2.515 -2.069 1.00 0.00 H new ATOM 552 N LEU A 37 -10.850 1.136 -4.269 1.00 0.00 N ATOM 553 CA LEU A 37 -11.905 2.134 -4.369 1.00 0.00 C ATOM 554 C LEU A 37 -12.618 2.023 -5.710 1.00 0.00 C ATOM 555 O LEU A 37 -12.069 1.485 -6.667 1.00 0.00 O ATOM 556 CB LEU A 37 -11.329 3.540 -4.201 1.00 0.00 C ATOM 557 CG LEU A 37 -9.896 3.730 -4.712 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.902 4.218 -6.153 1.00 0.00 C ATOM 559 CD2 LEU A 37 -9.135 4.700 -3.817 1.00 0.00 C ATOM 0 H LEU A 37 -10.435 0.873 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.625 1.951 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.978 4.245 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.357 3.802 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.388 2.766 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.876 4.347 -6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.407 3.486 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.427 5.171 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.120 4.823 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.641 5.666 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.099 4.306 -2.801 1.00 0.00 H new ATOM 571 N LYS A 38 -13.840 2.538 -5.780 1.00 0.00 N ATOM 572 CA LYS A 38 -14.613 2.483 -7.016 1.00 0.00 C ATOM 573 C LYS A 38 -14.342 3.698 -7.900 1.00 0.00 C ATOM 574 O LYS A 38 -13.880 4.738 -7.428 1.00 0.00 O ATOM 575 CB LYS A 38 -16.110 2.395 -6.710 1.00 0.00 C ATOM 576 CG LYS A 38 -16.475 1.277 -5.747 1.00 0.00 C ATOM 577 CD LYS A 38 -17.939 1.349 -5.346 1.00 0.00 C ATOM 578 CE LYS A 38 -18.210 0.560 -4.076 1.00 0.00 C ATOM 579 NZ LYS A 38 -18.467 -0.879 -4.360 1.00 0.00 N ATOM 0 H LYS A 38 -14.315 2.995 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.301 1.589 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.442 3.345 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.654 2.250 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.270 0.313 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.849 1.342 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.225 2.390 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.558 0.961 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.357 0.651 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.070 0.987 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.647 -1.382 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.296 -0.968 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.637 -1.294 -4.830 1.00 0.00 H new ATOM 593 N GLU A 39 -14.649 3.554 -9.187 1.00 0.00 N ATOM 594 CA GLU A 39 -14.452 4.628 -10.158 1.00 0.00 C ATOM 595 C GLU A 39 -15.031 5.947 -9.652 1.00 0.00 C ATOM 596 O GLU A 39 -16.221 6.040 -9.352 1.00 0.00 O ATOM 597 CB GLU A 39 -15.104 4.254 -11.493 1.00 0.00 C ATOM 598 CG GLU A 39 -14.194 4.445 -12.695 1.00 0.00 C ATOM 599 CD GLU A 39 -14.670 3.672 -13.910 1.00 0.00 C ATOM 600 OE1 GLU A 39 -14.487 2.437 -13.935 1.00 0.00 O ATOM 601 OE2 GLU A 39 -15.226 4.303 -14.833 1.00 0.00 O ATOM 0 H GLU A 39 -15.038 2.698 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.379 4.760 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.422 3.212 -11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.002 4.857 -11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.140 5.505 -12.941 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.184 4.125 -12.437 1.00 0.00 H new ATOM 608 N GLY A 40 -14.182 6.967 -9.567 1.00 0.00 N ATOM 609 CA GLY A 40 -14.632 8.267 -9.106 1.00 0.00 C ATOM 610 C GLY A 40 -14.172 8.586 -7.695 1.00 0.00 C ATOM 611 O GLY A 40 -14.338 9.711 -7.226 1.00 0.00 O ATOM 0 H GLY A 40 -13.192 6.916 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.263 9.035 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.721 8.304 -9.145 1.00 0.00 H new ATOM 615 N SER A 41 -13.596 7.599 -7.014 1.00 0.00 N ATOM 616 CA SER A 41 -13.119 7.796 -5.651 1.00 0.00 C ATOM 617 C SER A 41 -11.912 8.732 -5.620 1.00 0.00 C ATOM 618 O SER A 41 -11.615 9.411 -6.602 1.00 0.00 O ATOM 619 CB SER A 41 -12.753 6.453 -5.019 1.00 0.00 C ATOM 620 OG SER A 41 -12.373 6.611 -3.663 1.00 0.00 O ATOM 0 H SER A 41 -13.449 6.659 -7.383 1.00 0.00 H new ATOM 0 HA SER A 41 -13.923 8.255 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.603 5.774 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.936 5.996 -5.577 1.00 0.00 H new ATOM 0 HG SER A 41 -12.604 5.801 -3.162 1.00 0.00 H new ATOM 626 N ALA A 42 -11.221 8.759 -4.484 1.00 0.00 N ATOM 627 CA ALA A 42 -10.048 9.604 -4.317 1.00 0.00 C ATOM 628 C ALA A 42 -8.880 9.075 -5.138 1.00 0.00 C ATOM 629 O ALA A 42 -8.127 8.211 -4.686 1.00 0.00 O ATOM 630 CB ALA A 42 -9.668 9.698 -2.846 1.00 0.00 C ATOM 0 H ALA A 42 -11.457 8.202 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.291 10.604 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.789 10.333 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.497 10.126 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.445 8.702 -2.463 1.00 0.00 H new ATOM 636 N MET A 43 -8.740 9.594 -6.349 1.00 0.00 N ATOM 637 CA MET A 43 -7.673 9.175 -7.234 1.00 0.00 C ATOM 638 C MET A 43 -6.795 10.342 -7.627 1.00 0.00 C ATOM 639 O MET A 43 -7.126 11.117 -8.524 1.00 0.00 O ATOM 640 CB MET A 43 -8.244 8.490 -8.477 1.00 0.00 C ATOM 641 CG MET A 43 -7.404 7.323 -8.967 1.00 0.00 C ATOM 642 SD MET A 43 -7.213 7.306 -10.760 1.00 0.00 S ATOM 643 CE MET A 43 -5.856 8.455 -10.971 1.00 0.00 C ATOM 0 H MET A 43 -9.356 10.308 -6.738 1.00 0.00 H new ATOM 0 HA MET A 43 -7.054 8.458 -6.695 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.251 8.135 -8.256 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.333 9.224 -9.278 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.419 7.369 -8.501 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.865 6.389 -8.646 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.621 8.550 -12.031 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.139 9.430 -10.573 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.980 8.086 -10.437 1.00 0.00 H new ATOM 653 N THR A 44 -5.666 10.454 -6.944 1.00 0.00 N ATOM 654 CA THR A 44 -4.718 11.518 -7.210 1.00 0.00 C ATOM 655 C THR A 44 -3.689 11.066 -8.237 1.00 0.00 C ATOM 656 O THR A 44 -3.387 9.873 -8.340 1.00 0.00 O ATOM 657 CB THR A 44 -4.016 11.945 -5.920 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.872 10.845 -5.040 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.748 13.039 -5.173 1.00 0.00 C ATOM 0 H THR A 44 -5.386 9.817 -6.199 1.00 0.00 H new ATOM 0 HA THR A 44 -5.264 12.372 -7.610 1.00 0.00 H new ATOM 0 HB THR A 44 -3.045 12.330 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.568 11.164 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.196 13.294 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.831 13.921 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.745 12.691 -4.904 1.00 0.00 H new ATOM 667 N LYS A 45 -3.160 12.022 -8.992 1.00 0.00 N ATOM 668 CA LYS A 45 -2.163 11.733 -10.012 1.00 0.00 C ATOM 669 C LYS A 45 -0.782 11.562 -9.394 1.00 0.00 C ATOM 670 O LYS A 45 0.076 10.873 -9.946 1.00 0.00 O ATOM 671 CB LYS A 45 -2.132 12.844 -11.050 1.00 0.00 C ATOM 672 CG LYS A 45 -3.163 12.680 -12.157 1.00 0.00 C ATOM 673 CD LYS A 45 -4.187 13.806 -12.138 1.00 0.00 C ATOM 674 CE LYS A 45 -5.355 13.514 -13.067 1.00 0.00 C ATOM 675 NZ LYS A 45 -6.238 14.701 -13.237 1.00 0.00 N ATOM 0 H LYS A 45 -3.408 13.008 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.440 10.798 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.297 13.799 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.138 12.885 -11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.660 12.661 -13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.671 11.723 -12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.556 13.947 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.709 14.739 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.976 13.201 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.937 12.683 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.022 14.462 -13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.620 14.985 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.689 15.487 -13.641 1.00 0.00 H new ATOM 689 N ASP A 46 -0.571 12.204 -8.247 1.00 0.00 N ATOM 690 CA ASP A 46 0.709 12.131 -7.545 1.00 0.00 C ATOM 691 C ASP A 46 1.214 10.693 -7.470 1.00 0.00 C ATOM 692 O ASP A 46 0.432 9.757 -7.303 1.00 0.00 O ATOM 693 CB ASP A 46 0.577 12.711 -6.136 1.00 0.00 C ATOM 694 CG ASP A 46 1.878 13.305 -5.633 1.00 0.00 C ATOM 695 OD1 ASP A 46 2.135 14.495 -5.911 1.00 0.00 O ATOM 696 OD2 ASP A 46 2.643 12.579 -4.962 1.00 0.00 O ATOM 0 H ASP A 46 -1.272 12.782 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 46 1.433 12.720 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.196 13.480 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.250 11.928 -5.452 1.00 0.00 H new ATOM 701 N PHE A 47 2.524 10.527 -7.604 1.00 0.00 N ATOM 702 CA PHE A 47 3.140 9.205 -7.566 1.00 0.00 C ATOM 703 C PHE A 47 3.494 8.786 -6.137 1.00 0.00 C ATOM 704 O PHE A 47 4.137 9.534 -5.400 1.00 0.00 O ATOM 705 CB PHE A 47 4.390 9.194 -8.449 1.00 0.00 C ATOM 706 CG PHE A 47 5.261 7.987 -8.250 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.003 6.812 -8.932 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.330 8.028 -7.370 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.797 5.699 -8.742 1.00 0.00 C ATOM 710 CE2 PHE A 47 7.126 6.918 -7.176 1.00 0.00 C ATOM 711 CZ PHE A 47 6.859 5.752 -7.864 1.00 0.00 C ATOM 0 H PHE A 47 3.183 11.294 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 47 2.418 8.483 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.086 9.243 -9.494 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.975 10.091 -8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.172 6.765 -9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.543 8.939 -6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.587 4.787 -9.281 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.957 6.962 -6.487 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.481 4.882 -7.715 1.00 0.00 H new ATOM 721 N ARG A 48 3.070 7.581 -5.763 1.00 0.00 N ATOM 722 CA ARG A 48 3.336 7.041 -4.433 1.00 0.00 C ATOM 723 C ARG A 48 3.563 5.531 -4.511 1.00 0.00 C ATOM 724 O ARG A 48 2.635 4.764 -4.766 1.00 0.00 O ATOM 725 CB ARG A 48 2.173 7.355 -3.489 1.00 0.00 C ATOM 726 CG ARG A 48 2.053 8.831 -3.142 1.00 0.00 C ATOM 727 CD ARG A 48 1.161 9.051 -1.931 1.00 0.00 C ATOM 728 NE ARG A 48 1.758 8.515 -0.709 1.00 0.00 N ATOM 729 CZ ARG A 48 1.620 9.071 0.495 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.901 10.175 0.652 1.00 0.00 N ATOM 731 NH2 ARG A 48 2.202 8.515 1.549 1.00 0.00 N ATOM 0 H ARG A 48 2.537 6.956 -6.368 1.00 0.00 H new ATOM 0 HA ARG A 48 4.238 7.510 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.243 7.021 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.297 6.783 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.044 9.240 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.648 9.374 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.975 10.118 -1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.195 8.577 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 48 2.314 7.663 -0.782 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.447 10.607 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.802 10.592 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.753 7.664 1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.098 8.938 2.471 1.00 0.00 H new ATOM 745 N CYS A 49 4.813 5.121 -4.314 1.00 0.00 N ATOM 746 CA CYS A 49 5.187 3.708 -4.376 1.00 0.00 C ATOM 747 C CYS A 49 4.372 2.851 -3.412 1.00 0.00 C ATOM 748 O CYS A 49 3.933 1.758 -3.766 1.00 0.00 O ATOM 749 CB CYS A 49 6.677 3.546 -4.068 1.00 0.00 C ATOM 750 SG CYS A 49 7.727 3.373 -5.544 1.00 0.00 S ATOM 0 H CYS A 49 5.589 5.750 -4.109 1.00 0.00 H new ATOM 0 HA CYS A 49 4.974 3.363 -5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.014 4.409 -3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.813 2.670 -3.434 1.00 0.00 H new ATOM 755 N ASP A 50 4.181 3.339 -2.194 1.00 0.00 N ATOM 756 CA ASP A 50 3.434 2.593 -1.190 1.00 0.00 C ATOM 757 C ASP A 50 1.927 2.714 -1.393 1.00 0.00 C ATOM 758 O ASP A 50 1.147 2.195 -0.593 1.00 0.00 O ATOM 759 CB ASP A 50 3.803 3.081 0.212 1.00 0.00 C ATOM 760 CG ASP A 50 3.473 4.548 0.420 1.00 0.00 C ATOM 761 OD1 ASP A 50 3.616 5.332 -0.541 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.070 4.910 1.546 1.00 0.00 O ATOM 0 H ASP A 50 4.531 4.244 -1.878 1.00 0.00 H new ATOM 0 HA ASP A 50 3.704 1.543 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.272 2.483 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.868 2.924 0.380 1.00 0.00 H new ATOM 767 N ARG A 51 1.513 3.393 -2.459 1.00 0.00 N ATOM 768 CA ARG A 51 0.097 3.568 -2.734 1.00 0.00 C ATOM 769 C ARG A 51 -0.251 3.119 -4.143 1.00 0.00 C ATOM 770 O ARG A 51 0.198 3.707 -5.126 1.00 0.00 O ATOM 771 CB ARG A 51 -0.301 5.030 -2.547 1.00 0.00 C ATOM 772 CG ARG A 51 -1.800 5.266 -2.621 1.00 0.00 C ATOM 773 CD ARG A 51 -2.125 6.745 -2.751 1.00 0.00 C ATOM 774 NE ARG A 51 -2.064 7.202 -4.138 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.870 8.471 -4.494 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.711 9.412 -3.571 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.835 8.801 -5.778 1.00 0.00 N ATOM 0 H ARG A 51 2.136 3.827 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.458 2.948 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.066 5.377 -1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.191 5.633 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.213 4.725 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.277 4.865 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.122 6.933 -2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.425 7.324 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.177 6.508 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.737 9.165 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.563 10.381 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.957 8.083 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.687 9.772 -6.051 1.00 0.00 H new ATOM 791 N VAL A 52 -1.071 2.083 -4.231 1.00 0.00 N ATOM 792 CA VAL A 52 -1.510 1.562 -5.515 1.00 0.00 C ATOM 793 C VAL A 52 -3.017 1.733 -5.637 1.00 0.00 C ATOM 794 O VAL A 52 -3.771 1.254 -4.789 1.00 0.00 O ATOM 795 CB VAL A 52 -1.139 0.076 -5.691 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.571 -0.426 -7.062 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.358 -0.124 -5.490 1.00 0.00 C ATOM 0 H VAL A 52 -1.447 1.585 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.001 2.123 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.668 -0.505 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.300 -1.477 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.651 -0.317 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.072 0.156 -7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.605 -1.178 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.906 0.468 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.636 0.195 -4.485 1.00 0.00 H new ATOM 807 N TRP A 53 -3.455 2.435 -6.675 1.00 0.00 N ATOM 808 CA TRP A 53 -4.879 2.688 -6.868 1.00 0.00 C ATOM 809 C TRP A 53 -5.580 1.471 -7.455 1.00 0.00 C ATOM 810 O TRP A 53 -5.184 0.954 -8.499 1.00 0.00 O ATOM 811 CB TRP A 53 -5.097 3.882 -7.811 1.00 0.00 C ATOM 812 CG TRP A 53 -4.944 5.251 -7.199 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.400 6.351 -7.803 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.346 5.675 -5.893 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.463 7.435 -6.960 1.00 0.00 N ATOM 816 CE2 TRP A 53 -5.027 7.041 -5.776 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.945 5.034 -4.814 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -5.288 7.772 -4.619 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -6.203 5.757 -3.663 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.874 7.114 -3.574 1.00 0.00 C ATOM 0 H TRP A 53 -2.851 2.837 -7.392 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.301 2.910 -5.888 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.394 3.797 -8.640 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.099 3.806 -8.234 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.981 6.366 -8.798 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.142 8.378 -7.180 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.205 3.987 -4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.037 8.820 -4.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.666 5.266 -2.820 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.087 7.652 -2.662 1.00 0.00 H new ATOM 831 N VAL A 54 -6.630 1.024 -6.775 1.00 0.00 N ATOM 832 CA VAL A 54 -7.402 -0.122 -7.222 1.00 0.00 C ATOM 833 C VAL A 54 -8.843 0.300 -7.503 1.00 0.00 C ATOM 834 O VAL A 54 -9.711 0.194 -6.638 1.00 0.00 O ATOM 835 CB VAL A 54 -7.371 -1.246 -6.164 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.469 -2.275 -6.409 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.003 -1.915 -6.143 1.00 0.00 C ATOM 0 H VAL A 54 -6.965 1.443 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.957 -0.505 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.556 -0.794 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.417 -3.051 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.442 -1.786 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.334 -2.724 -7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.996 -2.705 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.792 -2.343 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.240 -1.176 -5.899 1.00 0.00 H new ATOM 847 N ILE A 55 -9.082 0.799 -8.714 1.00 0.00 N ATOM 848 CA ILE A 55 -10.409 1.257 -9.110 1.00 0.00 C ATOM 849 C ILE A 55 -11.284 0.106 -9.584 1.00 0.00 C ATOM 850 O ILE A 55 -10.894 -0.675 -10.453 1.00 0.00 O ATOM 851 CB ILE A 55 -10.326 2.321 -10.221 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.315 3.408 -9.844 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.697 2.928 -10.478 1.00 0.00 C ATOM 854 CD1 ILE A 55 -8.017 3.319 -10.615 1.00 0.00 C ATOM 0 H ILE A 55 -8.371 0.896 -9.439 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.862 1.700 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.987 1.840 -11.139 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.764 4.386 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.100 3.339 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.621 3.678 -11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.389 2.145 -10.788 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.064 3.397 -9.565 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.349 4.119 -10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.545 2.355 -10.424 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.220 3.418 -11.681 1.00 0.00 H new ATOM 866 N VAL A 56 -12.474 0.016 -9.003 1.00 0.00 N ATOM 867 CA VAL A 56 -13.416 -1.028 -9.357 1.00 0.00 C ATOM 868 C VAL A 56 -14.760 -0.441 -9.775 1.00 0.00 C ATOM 869 O VAL A 56 -15.051 0.724 -9.507 1.00 0.00 O ATOM 870 CB VAL A 56 -13.631 -2.016 -8.192 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.317 -2.675 -7.792 1.00 0.00 C ATOM 872 CG2 VAL A 56 -14.267 -1.310 -7.002 1.00 0.00 C ATOM 0 H VAL A 56 -12.806 0.657 -8.283 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.985 -1.568 -10.200 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.312 -2.798 -8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.493 -3.367 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.909 -3.220 -8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.607 -1.910 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.411 -2.023 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.615 -0.504 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.231 -0.897 -7.297 1.00 0.00 H new ATOM 882 N ASN A 57 -15.577 -1.259 -10.431 1.00 0.00 N ATOM 883 CA ASN A 57 -16.889 -0.822 -10.888 1.00 0.00 C ATOM 884 C ASN A 57 -17.926 -0.929 -9.774 1.00 0.00 C ATOM 885 O ASN A 57 -17.610 -1.312 -8.648 1.00 0.00 O ATOM 886 CB ASN A 57 -17.334 -1.640 -12.102 1.00 0.00 C ATOM 887 CG ASN A 57 -17.522 -3.111 -11.779 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.662 -3.493 -10.618 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.527 -3.945 -12.812 1.00 0.00 N ATOM 0 H ASN A 57 -15.352 -2.228 -10.657 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.808 0.226 -11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.270 -1.234 -12.486 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.593 -1.538 -12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.650 -4.946 -12.659 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.407 -3.585 -13.759 1.00 0.00 H new ATOM 896 N ASP A 58 -19.166 -0.576 -10.101 1.00 0.00 N ATOM 897 CA ASP A 58 -20.262 -0.617 -9.138 1.00 0.00 C ATOM 898 C ASP A 58 -20.400 -1.994 -8.492 1.00 0.00 C ATOM 899 O ASP A 58 -20.977 -2.124 -7.413 1.00 0.00 O ATOM 900 CB ASP A 58 -21.578 -0.239 -9.823 1.00 0.00 C ATOM 901 CG ASP A 58 -21.674 1.246 -10.113 1.00 0.00 C ATOM 902 OD1 ASP A 58 -20.876 1.743 -10.936 1.00 0.00 O ATOM 903 OD2 ASP A 58 -22.548 1.912 -9.520 1.00 0.00 O ATOM 0 H ASP A 58 -19.438 -0.257 -11.031 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.033 0.103 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.672 -0.795 -10.756 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.413 -0.537 -9.189 1.00 0.00 H new ATOM 908 N HIS A 59 -19.882 -3.023 -9.159 1.00 0.00 N ATOM 909 CA HIS A 59 -19.970 -4.384 -8.640 1.00 0.00 C ATOM 910 C HIS A 59 -18.775 -4.718 -7.753 1.00 0.00 C ATOM 911 O HIS A 59 -18.859 -5.591 -6.888 1.00 0.00 O ATOM 912 CB HIS A 59 -20.060 -5.386 -9.794 1.00 0.00 C ATOM 913 CG HIS A 59 -21.154 -6.394 -9.620 1.00 0.00 C ATOM 914 ND1 HIS A 59 -20.940 -7.654 -9.105 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.478 -6.317 -9.889 1.00 0.00 C ATOM 916 CE1 HIS A 59 -22.087 -8.311 -9.064 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.035 -7.521 -9.533 1.00 0.00 N ATOM 0 H HIS A 59 -19.400 -2.941 -10.054 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.873 -4.452 -8.033 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.220 -4.843 -10.726 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.107 -5.907 -9.889 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.999 -5.468 -10.306 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.225 -9.321 -8.708 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.022 -7.765 -9.617 1.00 0.00 H new ATOM 926 N GLY A 60 -17.663 -4.022 -7.968 1.00 0.00 N ATOM 927 CA GLY A 60 -16.472 -4.268 -7.178 1.00 0.00 C ATOM 928 C GLY A 60 -15.382 -4.954 -7.978 1.00 0.00 C ATOM 929 O GLY A 60 -14.489 -5.585 -7.411 1.00 0.00 O ATOM 0 H GLY A 60 -17.566 -3.293 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.094 -3.322 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.731 -4.885 -6.317 1.00 0.00 H new ATOM 933 N VAL A 61 -15.450 -4.820 -9.301 1.00 0.00 N ATOM 934 CA VAL A 61 -14.459 -5.419 -10.186 1.00 0.00 C ATOM 935 C VAL A 61 -13.434 -4.374 -10.600 1.00 0.00 C ATOM 936 O VAL A 61 -13.785 -3.225 -10.839 1.00 0.00 O ATOM 937 CB VAL A 61 -15.116 -6.013 -11.448 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.085 -6.738 -12.298 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.257 -6.948 -11.071 1.00 0.00 C ATOM 0 H VAL A 61 -16.184 -4.300 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.970 -6.225 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.528 -5.193 -12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.568 -7.150 -13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.307 -6.038 -12.602 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.639 -7.547 -11.719 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.707 -7.356 -11.976 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.872 -7.763 -10.458 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -17.010 -6.395 -10.509 1.00 0.00 H new ATOM 949 N VAL A 62 -12.165 -4.761 -10.669 1.00 0.00 N ATOM 950 CA VAL A 62 -11.113 -3.823 -11.047 1.00 0.00 C ATOM 951 C VAL A 62 -11.208 -3.458 -12.524 1.00 0.00 C ATOM 952 O VAL A 62 -10.983 -4.295 -13.398 1.00 0.00 O ATOM 953 CB VAL A 62 -9.712 -4.388 -10.752 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.640 -3.351 -11.062 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.617 -4.845 -9.305 1.00 0.00 C ATOM 0 H VAL A 62 -11.841 -5.708 -10.470 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.261 -2.927 -10.444 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.545 -5.252 -11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.657 -3.769 -10.847 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.695 -3.075 -12.115 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.801 -2.466 -10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.620 -5.242 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.804 -3.999 -8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.358 -5.622 -9.119 1.00 0.00 H new ATOM 965 N THR A 63 -11.544 -2.201 -12.793 1.00 0.00 N ATOM 966 CA THR A 63 -11.673 -1.721 -14.163 1.00 0.00 C ATOM 967 C THR A 63 -10.381 -1.069 -14.642 1.00 0.00 C ATOM 968 O THR A 63 -10.046 -1.129 -15.826 1.00 0.00 O ATOM 969 CB THR A 63 -12.824 -0.721 -14.275 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.537 0.455 -13.540 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.146 -1.262 -13.777 1.00 0.00 C ATOM 0 H THR A 63 -11.732 -1.496 -12.080 1.00 0.00 H new ATOM 0 HA THR A 63 -11.883 -2.583 -14.796 1.00 0.00 H new ATOM 0 HB THR A 63 -12.918 -0.511 -15.340 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.236 1.122 -13.704 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.916 -0.499 -13.887 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.421 -2.142 -14.359 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.054 -1.536 -12.726 1.00 0.00 H new ATOM 979 N SER A 64 -9.663 -0.434 -13.723 1.00 0.00 N ATOM 980 CA SER A 64 -8.415 0.238 -14.064 1.00 0.00 C ATOM 981 C SER A 64 -7.203 -0.570 -13.614 1.00 0.00 C ATOM 982 O SER A 64 -7.263 -1.318 -12.638 1.00 0.00 O ATOM 983 CB SER A 64 -8.373 1.631 -13.436 1.00 0.00 C ATOM 984 OG SER A 64 -7.132 2.268 -13.689 1.00 0.00 O ATOM 0 H SER A 64 -9.923 -0.370 -12.739 1.00 0.00 H new ATOM 0 HA SER A 64 -8.376 0.330 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.185 2.238 -13.836 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.533 1.553 -12.361 1.00 0.00 H new ATOM 0 HG SER A 64 -7.265 3.238 -13.730 1.00 0.00 H new ATOM 990 N VAL A 65 -6.099 -0.398 -14.333 1.00 0.00 N ATOM 991 CA VAL A 65 -4.856 -1.094 -14.022 1.00 0.00 C ATOM 992 C VAL A 65 -4.312 -0.667 -12.665 1.00 0.00 C ATOM 993 O VAL A 65 -3.927 0.485 -12.489 1.00 0.00 O ATOM 994 CB VAL A 65 -3.773 -0.803 -15.076 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.630 -1.800 -14.962 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.364 -0.809 -16.481 1.00 0.00 C ATOM 0 H VAL A 65 -6.040 0.222 -15.141 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.090 -2.158 -14.014 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.374 0.193 -14.886 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.875 -1.576 -15.716 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.184 -1.730 -13.970 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.011 -2.809 -15.118 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.578 -0.601 -17.207 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.800 -1.786 -16.688 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.137 -0.044 -16.554 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.255 -1.577 -11.683 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.729 -1.255 -10.367 1.00 0.00 C ATOM 1008 C PRO A 66 -2.207 -1.163 -10.382 1.00 0.00 C ATOM 1009 O PRO A 66 -1.512 -2.144 -10.129 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.188 -2.420 -9.477 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.995 -3.327 -10.348 1.00 0.00 C ATOM 1012 CD PRO A 66 -4.676 -2.975 -11.774 1.00 0.00 C ATOM 0 HA PRO A 66 -4.084 -0.287 -10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.332 -2.947 -9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.783 -2.057 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.753 -4.370 -10.146 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.060 -3.203 -10.150 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.887 -3.608 -12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.544 -3.093 -12.423 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.692 0.026 -10.680 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.256 0.251 -10.717 1.00 0.00 C ATOM 1021 C HIS A 67 0.127 1.356 -9.739 1.00 0.00 C ATOM 1022 O HIS A 67 -0.614 2.322 -9.558 1.00 0.00 O ATOM 1023 CB HIS A 67 0.200 0.621 -12.129 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.565 1.755 -12.739 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -1.912 1.697 -13.010 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -0.161 2.982 -13.135 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -2.304 2.839 -13.546 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -1.260 3.637 -13.632 1.00 0.00 N ATOM 0 H HIS A 67 -2.252 0.849 -10.900 1.00 0.00 H new ATOM 0 HA HIS A 67 0.243 -0.673 -10.425 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.258 0.883 -12.101 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.106 -0.255 -12.771 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.515 0.896 -12.826 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.843 3.375 -13.072 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.309 3.078 -13.860 1.00 0.00 H new ATOM 1037 N ILE A 68 1.288 1.198 -9.117 1.00 0.00 N ATOM 1038 CA ILE A 68 1.803 2.167 -8.155 1.00 0.00 C ATOM 1039 C ILE A 68 1.495 3.599 -8.598 1.00 0.00 C ATOM 1040 O ILE A 68 1.949 4.049 -9.650 1.00 0.00 O ATOM 1041 CB ILE A 68 3.328 1.961 -7.960 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.584 1.098 -6.720 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.073 3.286 -7.855 1.00 0.00 C ATOM 1044 CD1 ILE A 68 4.431 -0.124 -6.993 1.00 0.00 C ATOM 0 H ILE A 68 1.900 0.395 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 68 1.305 2.006 -7.199 1.00 0.00 H new ATOM 0 HB ILE A 68 3.711 1.447 -8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.074 1.706 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.627 0.780 -6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.138 3.095 -7.719 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.921 3.862 -8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.694 3.850 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.569 -0.685 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.933 -0.755 -7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.403 0.185 -7.378 1.00 0.00 H new ATOM 1056 N THR A 69 0.692 4.294 -7.798 1.00 0.00 N ATOM 1057 CA THR A 69 0.298 5.664 -8.107 1.00 0.00 C ATOM 1058 C THR A 69 -0.248 6.364 -6.864 1.00 0.00 C ATOM 1059 O THR A 69 0.519 7.111 -6.223 1.00 0.00 O ATOM 1060 CB THR A 69 -0.755 5.666 -9.222 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.165 5.330 -10.465 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.461 6.996 -9.398 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.438 6.161 -6.547 1.00 0.00 O ATOM 0 H THR A 69 0.301 3.930 -6.929 1.00 0.00 H new ATOM 0 HA THR A 69 1.178 6.210 -8.447 1.00 0.00 H new ATOM 0 HB THR A 69 -1.493 4.926 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.797 5.190 -10.343 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.190 6.917 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.971 7.262 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.730 7.766 -9.644 1.00 0.00 H new TER 1071 THR A 69