USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 64 ASN : amide:sc= 0.88 K(o=2.3,f=-3.2!) USER MOD Set 1.2: A 83 SER OG : rot -110:sc= 1.44 USER MOD Set 2.1: A 61 THR OG1 : rot 82:sc= 1.12 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.718 K(o=1.8,f=-4.9!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 164:sc= -0.225 (180deg=-0.75) USER MOD Single : A 11 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 44:sc= 0.0149 USER MOD Single : A 20 THR OG1 : rot 76:sc= 0.009 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-4.9!) USER MOD Single : A 39 MET CE :methyl -172:sc= 0 (180deg=-0.0567) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 50 SER OG : rot -140:sc= -2.18! USER MOD Single : A 56 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3.7!) USER MOD Single : A 69 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.19) USER MOD Single : A 73 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.0057) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.565) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.0113 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -7.300 -5.086 -14.800 1.00 0.00 N ATOM 18 CA SER A 3 -6.021 -4.631 -15.315 1.00 0.00 C ATOM 19 C SER A 3 -5.949 -3.111 -15.227 1.00 0.00 C ATOM 20 O SER A 3 -6.980 -2.455 -15.073 1.00 0.00 O ATOM 21 CB SER A 3 -5.840 -5.095 -16.765 1.00 0.00 C ATOM 22 OG SER A 3 -4.496 -4.948 -17.192 1.00 0.00 O ATOM 0 HA SER A 3 -5.217 -5.059 -14.716 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.139 -6.139 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.496 -4.518 -17.418 1.00 0.00 H new ATOM 0 HG SER A 3 -4.412 -5.254 -18.119 1.00 0.00 H new ATOM 28 N MET A 4 -4.737 -2.567 -15.322 1.00 0.00 N ATOM 29 CA MET A 4 -4.513 -1.124 -15.248 1.00 0.00 C ATOM 30 C MET A 4 -5.083 -0.536 -13.962 1.00 0.00 C ATOM 31 O MET A 4 -6.164 0.062 -13.959 1.00 0.00 O ATOM 32 CB MET A 4 -5.116 -0.414 -16.461 1.00 0.00 C ATOM 33 CG MET A 4 -4.165 -0.301 -17.639 1.00 0.00 C ATOM 34 SD MET A 4 -4.942 0.424 -19.097 1.00 0.00 S ATOM 35 CE MET A 4 -5.594 1.946 -18.413 1.00 0.00 C ATOM 0 H MET A 4 -3.885 -3.112 -15.452 1.00 0.00 H new ATOM 0 HA MET A 4 -3.435 -0.964 -15.248 1.00 0.00 H new ATOM 0 HB2 MET A 4 -6.010 -0.951 -16.778 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.433 0.586 -16.165 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.307 0.306 -17.350 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.785 -1.291 -17.890 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.848 2.630 -19.223 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.488 1.729 -17.828 1.00 0.00 H new ATOM 0 HE3 MET A 4 -4.844 2.407 -17.771 1.00 0.00 H new ATOM 45 N ARG A 5 -4.350 -0.706 -12.871 1.00 0.00 N ATOM 46 CA ARG A 5 -4.779 -0.192 -11.579 1.00 0.00 C ATOM 47 C ARG A 5 -4.672 1.326 -11.582 1.00 0.00 C ATOM 48 O ARG A 5 -3.693 1.876 -12.083 1.00 0.00 O ATOM 49 CB ARG A 5 -3.941 -0.789 -10.445 1.00 0.00 C ATOM 50 CG ARG A 5 -4.230 -2.260 -10.184 1.00 0.00 C ATOM 51 CD ARG A 5 -3.454 -3.150 -11.137 1.00 0.00 C ATOM 52 NE ARG A 5 -3.976 -4.513 -11.185 1.00 0.00 N ATOM 53 CZ ARG A 5 -3.712 -5.368 -12.171 1.00 0.00 C ATOM 54 NH1 ARG A 5 -2.913 -5.000 -13.168 1.00 0.00 N ATOM 55 NH2 ARG A 5 -4.240 -6.588 -12.158 1.00 0.00 N ATOM 0 H ARG A 5 -3.455 -1.196 -12.855 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.816 -0.481 -11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.884 -0.672 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.125 -0.223 -9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.967 -2.508 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.298 -2.449 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.484 -2.718 -12.137 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.408 -3.176 -10.833 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.575 -4.827 -10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.505 -4.065 -13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.709 -5.652 -13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.850 -6.872 -11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.036 -7.240 -12.915 1.00 0.00 H new ATOM 69 N PRO A 6 -5.668 2.031 -11.035 1.00 0.00 N ATOM 70 CA PRO A 6 -5.686 3.490 -11.016 1.00 0.00 C ATOM 71 C PRO A 6 -4.956 4.077 -9.812 1.00 0.00 C ATOM 72 O PRO A 6 -5.405 3.924 -8.676 1.00 0.00 O ATOM 73 CB PRO A 6 -7.189 3.815 -10.931 1.00 0.00 C ATOM 74 CG PRO A 6 -7.891 2.492 -10.826 1.00 0.00 C ATOM 75 CD PRO A 6 -6.865 1.512 -10.379 1.00 0.00 C ATOM 0 HA PRO A 6 -5.180 3.912 -11.884 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.405 4.441 -10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.520 4.364 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.715 2.544 -10.115 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.316 2.200 -11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.762 1.490 -9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.100 0.496 -10.697 1.00 0.00 H new ATOM 83 N PRO A 7 -3.807 4.731 -10.030 1.00 0.00 N ATOM 84 CA PRO A 7 -3.057 5.349 -8.949 1.00 0.00 C ATOM 85 C PRO A 7 -3.774 6.551 -8.371 1.00 0.00 C ATOM 86 O PRO A 7 -4.051 7.532 -9.067 1.00 0.00 O ATOM 87 CB PRO A 7 -1.750 5.797 -9.584 1.00 0.00 C ATOM 88 CG PRO A 7 -1.693 5.128 -10.911 1.00 0.00 C ATOM 89 CD PRO A 7 -3.126 4.899 -11.322 1.00 0.00 C ATOM 0 HA PRO A 7 -2.920 4.648 -8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.719 6.881 -9.691 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.898 5.513 -8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.173 5.750 -11.640 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.149 4.185 -10.850 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.526 5.743 -11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.231 4.017 -11.953 1.00 0.00 H new ATOM 97 N ILE A 8 -4.069 6.462 -7.099 1.00 0.00 N ATOM 98 CA ILE A 8 -4.736 7.518 -6.386 1.00 0.00 C ATOM 99 C ILE A 8 -3.697 8.485 -5.852 1.00 0.00 C ATOM 100 O ILE A 8 -2.908 8.149 -4.976 1.00 0.00 O ATOM 101 CB ILE A 8 -5.586 6.940 -5.248 1.00 0.00 C ATOM 102 CG1 ILE A 8 -6.251 5.658 -5.731 1.00 0.00 C ATOM 103 CG2 ILE A 8 -6.631 7.936 -4.815 1.00 0.00 C ATOM 104 CD1 ILE A 8 -6.935 4.870 -4.647 1.00 0.00 C ATOM 0 H ILE A 8 -3.851 5.647 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.406 8.052 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.947 6.723 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.983 5.909 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.498 5.027 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.226 7.511 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.144 8.847 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.280 8.172 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.382 3.973 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.205 4.585 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.714 5.480 -4.190 1.00 0.00 H new ATOM 116 N ILE A 9 -3.679 9.671 -6.412 1.00 0.00 N ATOM 117 CA ILE A 9 -2.708 10.673 -6.023 1.00 0.00 C ATOM 118 C ILE A 9 -3.064 11.329 -4.695 1.00 0.00 C ATOM 119 O ILE A 9 -3.949 12.189 -4.633 1.00 0.00 O ATOM 120 CB ILE A 9 -2.572 11.779 -7.092 1.00 0.00 C ATOM 121 CG1 ILE A 9 -2.730 11.211 -8.512 1.00 0.00 C ATOM 122 CG2 ILE A 9 -1.227 12.481 -6.942 1.00 0.00 C ATOM 123 CD1 ILE A 9 -1.560 10.377 -8.991 1.00 0.00 C ATOM 0 H ILE A 9 -4.327 9.969 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.760 10.144 -5.920 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.372 12.503 -6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.633 10.601 -8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.878 12.039 -9.206 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.137 13.260 -7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.159 12.929 -5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.422 11.757 -7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.758 10.018 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.656 10.986 -8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.423 9.526 -8.324 1.00 0.00 H new ATOM 135 N ILE A 10 -2.396 10.905 -3.627 1.00 0.00 N ATOM 136 CA ILE A 10 -2.613 11.518 -2.326 1.00 0.00 C ATOM 137 C ILE A 10 -1.836 12.819 -2.311 1.00 0.00 C ATOM 138 O ILE A 10 -0.904 12.984 -3.092 1.00 0.00 O ATOM 139 CB ILE A 10 -2.105 10.656 -1.132 1.00 0.00 C ATOM 140 CG1 ILE A 10 -2.674 9.248 -1.139 1.00 0.00 C ATOM 141 CG2 ILE A 10 -2.467 11.313 0.190 1.00 0.00 C ATOM 142 CD1 ILE A 10 -1.665 8.195 -0.782 1.00 0.00 C ATOM 0 H ILE A 10 -1.710 10.150 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.688 11.645 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.023 10.589 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.506 9.197 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.079 9.033 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.105 10.698 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.006 12.299 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.550 11.414 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.139 7.214 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.844 8.220 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.278 8.386 0.219 1.00 0.00 H new ATOM 154 N HIS A 11 -2.199 13.725 -1.438 1.00 0.00 N ATOM 155 CA HIS A 11 -1.501 14.979 -1.330 1.00 0.00 C ATOM 156 C HIS A 11 -1.283 15.269 0.142 1.00 0.00 C ATOM 157 O HIS A 11 -2.234 15.512 0.888 1.00 0.00 O ATOM 158 CB HIS A 11 -2.287 16.114 -1.996 1.00 0.00 C ATOM 159 CG HIS A 11 -1.558 17.420 -1.999 1.00 0.00 C ATOM 160 ND1 HIS A 11 -2.147 18.569 -1.534 1.00 0.00 N ATOM 161 CD2 HIS A 11 -0.295 17.702 -2.407 1.00 0.00 C ATOM 162 CE1 HIS A 11 -1.236 19.518 -1.664 1.00 0.00 C ATOM 163 NE2 HIS A 11 -0.100 19.041 -2.189 1.00 0.00 N ATOM 0 H HIS A 11 -2.978 13.615 -0.789 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.544 14.911 -1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.517 15.832 -3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.239 16.239 -1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.418 17.006 -2.823 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.389 20.549 -1.382 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.748 19.572 -2.388 1.00 0.00 H new ATOM 171 N ARG A 12 -0.031 15.183 0.558 1.00 0.00 N ATOM 172 CA ARG A 12 0.336 15.417 1.937 1.00 0.00 C ATOM 173 C ARG A 12 0.063 16.859 2.338 1.00 0.00 C ATOM 174 O ARG A 12 0.836 17.767 2.019 1.00 0.00 O ATOM 175 CB ARG A 12 1.807 15.080 2.139 1.00 0.00 C ATOM 176 CG ARG A 12 2.271 15.175 3.575 1.00 0.00 C ATOM 177 CD ARG A 12 3.688 14.663 3.699 1.00 0.00 C ATOM 178 NE ARG A 12 4.213 14.804 5.057 1.00 0.00 N ATOM 179 CZ ARG A 12 5.361 15.419 5.358 1.00 0.00 C ATOM 180 NH1 ARG A 12 6.075 16.019 4.411 1.00 0.00 N ATOM 181 NH2 ARG A 12 5.776 15.454 6.615 1.00 0.00 N ATOM 0 H ARG A 12 0.754 14.950 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.272 14.773 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.990 14.069 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.410 15.752 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.219 16.210 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.609 14.595 4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.719 13.613 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.330 15.206 3.006 1.00 0.00 H new ATOM 0 HE ARG A 12 3.668 14.408 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.748 16.013 3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.950 16.486 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.220 15.013 7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.651 15.922 6.850 1.00 0.00 H new ATOM 195 N ALA A 13 -1.047 17.058 3.032 1.00 0.00 N ATOM 196 CA ALA A 13 -1.441 18.377 3.497 1.00 0.00 C ATOM 197 C ALA A 13 -0.651 18.755 4.745 1.00 0.00 C ATOM 198 O ALA A 13 -1.226 19.048 5.793 1.00 0.00 O ATOM 199 CB ALA A 13 -2.941 18.402 3.775 1.00 0.00 C ATOM 0 H ALA A 13 -1.696 16.314 3.287 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.220 19.110 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.230 19.394 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.485 18.166 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.182 17.664 4.540 1.00 0.00 H new ATOM 205 N GLY A 14 0.671 18.718 4.633 1.00 0.00 N ATOM 206 CA GLY A 14 1.526 19.053 5.754 1.00 0.00 C ATOM 207 C GLY A 14 1.721 17.887 6.703 1.00 0.00 C ATOM 208 O GLY A 14 2.841 17.609 7.128 1.00 0.00 O ATOM 0 H GLY A 14 1.168 18.460 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.497 19.381 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.094 19.892 6.299 1.00 0.00 H new ATOM 212 N LYS A 15 0.631 17.205 7.031 1.00 0.00 N ATOM 213 CA LYS A 15 0.683 16.070 7.946 1.00 0.00 C ATOM 214 C LYS A 15 1.178 14.796 7.258 1.00 0.00 C ATOM 215 O LYS A 15 2.370 14.492 7.293 1.00 0.00 O ATOM 216 CB LYS A 15 -0.685 15.827 8.599 1.00 0.00 C ATOM 217 CG LYS A 15 -1.869 16.302 7.771 1.00 0.00 C ATOM 218 CD LYS A 15 -3.191 15.892 8.403 1.00 0.00 C ATOM 219 CE LYS A 15 -3.394 16.550 9.764 1.00 0.00 C ATOM 220 NZ LYS A 15 -4.666 16.124 10.405 1.00 0.00 N ATOM 0 H LYS A 15 -0.302 17.418 6.677 1.00 0.00 H new ATOM 0 HA LYS A 15 1.403 16.324 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.797 14.760 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.707 16.331 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.833 17.387 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.801 15.887 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.012 16.166 7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.220 14.808 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.558 16.299 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.392 17.634 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.764 16.594 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.467 16.386 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.658 15.093 10.541 1.00 0.00 H new ATOM 234 N LYS A 16 0.270 14.055 6.627 1.00 0.00 N ATOM 235 CA LYS A 16 0.637 12.806 5.967 1.00 0.00 C ATOM 236 C LYS A 16 -0.369 12.429 4.883 1.00 0.00 C ATOM 237 O LYS A 16 -1.273 13.204 4.576 1.00 0.00 O ATOM 238 CB LYS A 16 0.724 11.686 7.007 1.00 0.00 C ATOM 239 CG LYS A 16 -0.415 11.694 8.017 1.00 0.00 C ATOM 240 CD LYS A 16 -0.041 10.940 9.284 1.00 0.00 C ATOM 241 CE LYS A 16 -1.084 11.133 10.373 1.00 0.00 C ATOM 242 NZ LYS A 16 -0.690 10.476 11.645 1.00 0.00 N ATOM 0 H LYS A 16 -0.719 14.296 6.559 1.00 0.00 H new ATOM 0 HA LYS A 16 1.606 12.946 5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.734 10.725 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.671 11.771 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.674 12.723 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.301 11.242 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.061 9.878 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.929 11.285 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.233 12.199 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.038 10.728 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.429 10.632 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.572 9.455 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.208 10.880 11.981 1.00 0.00 H new ATOM 256 N TYR A 17 -0.192 11.241 4.302 1.00 0.00 N ATOM 257 CA TYR A 17 -1.079 10.738 3.256 1.00 0.00 C ATOM 258 C TYR A 17 -2.276 10.048 3.886 1.00 0.00 C ATOM 259 O TYR A 17 -3.137 9.516 3.194 1.00 0.00 O ATOM 260 CB TYR A 17 -0.334 9.796 2.310 1.00 0.00 C ATOM 261 CG TYR A 17 0.995 10.363 1.884 1.00 0.00 C ATOM 262 CD1 TYR A 17 1.080 11.197 0.786 1.00 0.00 C ATOM 263 CD2 TYR A 17 2.157 10.089 2.594 1.00 0.00 C ATOM 264 CE1 TYR A 17 2.283 11.744 0.395 1.00 0.00 C ATOM 265 CE2 TYR A 17 3.367 10.636 2.212 1.00 0.00 C ATOM 266 CZ TYR A 17 3.425 11.461 1.110 1.00 0.00 C ATOM 267 OH TYR A 17 4.622 12.007 0.726 1.00 0.00 O ATOM 0 H TYR A 17 0.567 10.604 4.543 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.434 11.580 2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.178 8.836 2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.947 9.607 1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.187 11.425 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.114 9.440 3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.330 12.392 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.263 10.418 2.774 1.00 0.00 H new ATOM 0 HH TYR A 17 4.494 12.953 0.505 1.00 0.00 H new ATOM 277 N GLY A 18 -2.306 10.082 5.209 1.00 0.00 N ATOM 278 CA GLY A 18 -3.393 9.529 5.977 1.00 0.00 C ATOM 279 C GLY A 18 -3.786 8.111 5.646 1.00 0.00 C ATOM 280 O GLY A 18 -4.945 7.854 5.386 1.00 0.00 O ATOM 0 H GLY A 18 -1.568 10.499 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.124 9.573 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.267 10.167 5.844 1.00 0.00 H new ATOM 284 N PHE A 19 -2.845 7.198 5.662 1.00 0.00 N ATOM 285 CA PHE A 19 -3.156 5.781 5.434 1.00 0.00 C ATOM 286 C PHE A 19 -2.032 4.848 5.869 1.00 0.00 C ATOM 287 O PHE A 19 -0.848 5.181 5.855 1.00 0.00 O ATOM 288 CB PHE A 19 -3.548 5.486 3.984 1.00 0.00 C ATOM 289 CG PHE A 19 -2.387 5.376 3.040 1.00 0.00 C ATOM 290 CD1 PHE A 19 -1.720 6.502 2.595 1.00 0.00 C ATOM 291 CD2 PHE A 19 -1.956 4.133 2.610 1.00 0.00 C ATOM 292 CE1 PHE A 19 -0.647 6.389 1.732 1.00 0.00 C ATOM 293 CE2 PHE A 19 -0.886 4.015 1.750 1.00 0.00 C ATOM 294 CZ PHE A 19 -0.228 5.144 1.311 1.00 0.00 C ATOM 0 H PHE A 19 -1.858 7.395 5.828 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.021 5.581 6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.114 4.555 3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.214 6.274 3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.041 7.479 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.465 3.244 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.136 7.276 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.563 3.039 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.613 5.054 0.639 1.00 0.00 H new ATOM 304 N THR A 20 -2.470 3.676 6.285 1.00 0.00 N ATOM 305 CA THR A 20 -1.604 2.605 6.788 1.00 0.00 C ATOM 306 C THR A 20 -1.223 1.580 5.708 1.00 0.00 C ATOM 307 O THR A 20 -2.098 0.914 5.156 1.00 0.00 O ATOM 308 CB THR A 20 -2.334 1.884 7.947 1.00 0.00 C ATOM 309 OG1 THR A 20 -2.727 2.844 8.934 1.00 0.00 O ATOM 310 CG2 THR A 20 -1.474 0.808 8.592 1.00 0.00 C ATOM 0 H THR A 20 -3.459 3.427 6.286 1.00 0.00 H new ATOM 0 HA THR A 20 -0.675 3.064 7.127 1.00 0.00 H new ATOM 0 HB THR A 20 -3.211 1.391 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.503 3.347 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.031 0.332 9.399 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.206 0.060 7.846 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.567 1.260 8.994 1.00 0.00 H new ATOM 318 N LEU A 21 0.075 1.465 5.402 1.00 0.00 N ATOM 319 CA LEU A 21 0.539 0.489 4.412 1.00 0.00 C ATOM 320 C LEU A 21 0.968 -0.803 5.109 1.00 0.00 C ATOM 321 O LEU A 21 2.152 -1.020 5.343 1.00 0.00 O ATOM 322 CB LEU A 21 1.708 1.025 3.555 1.00 0.00 C ATOM 323 CG LEU A 21 1.737 0.527 2.105 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.371 0.027 1.667 1.00 0.00 C ATOM 325 CD2 LEU A 21 2.209 1.638 1.185 1.00 0.00 C ATOM 0 H LEU A 21 0.814 2.029 5.821 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.298 0.294 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.662 2.114 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.646 0.749 4.036 1.00 0.00 H new ATOM 0 HG LEU A 21 2.434 -0.309 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.424 -0.319 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.061 -0.797 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.354 0.838 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.227 1.276 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.528 2.486 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.211 1.951 1.477 1.00 0.00 H new ATOM 337 N ARG A 22 -0.005 -1.641 5.445 1.00 0.00 N ATOM 338 CA ARG A 22 0.255 -2.909 6.126 1.00 0.00 C ATOM 339 C ARG A 22 1.052 -3.858 5.231 1.00 0.00 C ATOM 340 O ARG A 22 0.790 -3.953 4.031 1.00 0.00 O ATOM 341 CB ARG A 22 -1.071 -3.564 6.499 1.00 0.00 C ATOM 342 CG ARG A 22 -1.012 -4.423 7.748 1.00 0.00 C ATOM 343 CD ARG A 22 -1.340 -3.614 8.991 1.00 0.00 C ATOM 344 NE ARG A 22 -1.833 -4.468 10.071 1.00 0.00 N ATOM 345 CZ ARG A 22 -1.980 -4.073 11.333 1.00 0.00 C ATOM 346 NH1 ARG A 22 -1.596 -2.861 11.707 1.00 0.00 N ATOM 347 NH2 ARG A 22 -2.496 -4.901 12.230 1.00 0.00 N ATOM 0 H ARG A 22 -0.992 -1.465 5.256 1.00 0.00 H new ATOM 0 HA ARG A 22 0.840 -2.705 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.820 -2.785 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.407 -4.179 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.714 -5.252 7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.017 -4.857 7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.450 -3.081 9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.091 -2.861 8.749 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.081 -5.431 9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.184 -2.223 11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.712 -2.566 12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.780 -5.841 11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.609 -4.599 13.198 1.00 0.00 H new ATOM 561 N VAL A 36 5.436 -10.916 -1.285 1.00 0.00 N ATOM 562 CA VAL A 36 5.268 -9.809 -0.364 1.00 0.00 C ATOM 563 C VAL A 36 4.438 -8.700 -0.994 1.00 0.00 C ATOM 564 O VAL A 36 4.833 -8.107 -1.998 1.00 0.00 O ATOM 565 CB VAL A 36 6.623 -9.244 0.104 1.00 0.00 C ATOM 566 CG1 VAL A 36 6.414 -8.102 1.086 1.00 0.00 C ATOM 567 CG2 VAL A 36 7.469 -10.342 0.733 1.00 0.00 C ATOM 0 HA VAL A 36 4.742 -10.197 0.508 1.00 0.00 H new ATOM 0 HB VAL A 36 7.154 -8.856 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.382 -7.715 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.847 -7.306 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.863 -8.465 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.422 -9.926 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.944 -10.759 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.648 -11.129 -0.000 1.00 0.00 H new ATOM 577 N HIS A 37 3.287 -8.443 -0.397 1.00 0.00 N ATOM 578 CA HIS A 37 2.389 -7.403 -0.868 1.00 0.00 C ATOM 579 C HIS A 37 2.076 -6.447 0.275 1.00 0.00 C ATOM 580 O HIS A 37 2.559 -6.629 1.397 1.00 0.00 O ATOM 581 CB HIS A 37 1.084 -7.996 -1.414 1.00 0.00 C ATOM 582 CG HIS A 37 1.234 -8.690 -2.732 1.00 0.00 C ATOM 583 ND1 HIS A 37 1.288 -7.990 -3.912 1.00 0.00 N ATOM 584 CD2 HIS A 37 1.319 -10.013 -2.998 1.00 0.00 C ATOM 585 CE1 HIS A 37 1.405 -8.899 -4.864 1.00 0.00 C ATOM 586 NE2 HIS A 37 1.427 -10.139 -4.359 1.00 0.00 N ATOM 0 H HIS A 37 2.950 -8.946 0.424 1.00 0.00 H new ATOM 0 HA HIS A 37 2.883 -6.868 -1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.686 -8.703 -0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.349 -7.197 -1.517 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.305 -10.817 -2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.474 -8.670 -5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.508 -11.009 -4.885 1.00 0.00 H new ATOM 594 N HIS A 38 1.227 -5.471 -0.002 1.00 0.00 N ATOM 595 CA HIS A 38 0.846 -4.473 0.987 1.00 0.00 C ATOM 596 C HIS A 38 -0.586 -4.039 0.735 1.00 0.00 C ATOM 597 O HIS A 38 -1.074 -4.108 -0.394 1.00 0.00 O ATOM 598 CB HIS A 38 1.773 -3.249 0.920 1.00 0.00 C ATOM 599 CG HIS A 38 3.218 -3.560 1.185 1.00 0.00 C ATOM 600 ND1 HIS A 38 3.681 -3.830 2.449 1.00 0.00 N ATOM 601 CD2 HIS A 38 4.246 -3.652 0.313 1.00 0.00 C ATOM 602 CE1 HIS A 38 4.970 -4.089 2.314 1.00 0.00 C ATOM 603 NE2 HIS A 38 5.360 -3.993 1.038 1.00 0.00 N ATOM 0 H HIS A 38 0.784 -5.347 -0.913 1.00 0.00 H new ATOM 0 HA HIS A 38 0.934 -4.916 1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.685 -2.794 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.433 -2.509 1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.200 -3.488 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.627 -4.346 3.132 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.301 -4.144 0.675 1.00 0.00 H new ATOM 611 N MET A 39 -1.254 -3.566 1.776 1.00 0.00 N ATOM 612 CA MET A 39 -2.645 -3.146 1.664 1.00 0.00 C ATOM 613 C MET A 39 -2.931 -2.023 2.642 1.00 0.00 C ATOM 614 O MET A 39 -2.353 -1.974 3.728 1.00 0.00 O ATOM 615 CB MET A 39 -3.601 -4.310 1.972 1.00 0.00 C ATOM 616 CG MET A 39 -3.483 -5.492 1.025 1.00 0.00 C ATOM 617 SD MET A 39 -5.018 -6.431 0.884 1.00 0.00 S ATOM 618 CE MET A 39 -5.271 -6.938 2.585 1.00 0.00 C ATOM 0 H MET A 39 -0.856 -3.463 2.709 1.00 0.00 H new ATOM 0 HA MET A 39 -2.805 -2.808 0.640 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.416 -4.656 2.989 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.626 -3.939 1.943 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.190 -5.133 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.689 -6.153 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.101 -7.643 2.635 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.366 -7.415 2.961 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.500 -6.064 3.195 1.00 0.00 H new ATOM 628 N VAL A 40 -3.812 -1.114 2.249 1.00 0.00 N ATOM 629 CA VAL A 40 -4.175 -0.004 3.105 1.00 0.00 C ATOM 630 C VAL A 40 -5.078 -0.496 4.234 1.00 0.00 C ATOM 631 O VAL A 40 -6.273 -0.751 4.052 1.00 0.00 O ATOM 632 CB VAL A 40 -4.836 1.154 2.325 1.00 0.00 C ATOM 633 CG1 VAL A 40 -5.956 0.650 1.433 1.00 0.00 C ATOM 634 CG2 VAL A 40 -5.342 2.219 3.288 1.00 0.00 C ATOM 0 H VAL A 40 -4.285 -1.127 1.345 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.257 0.401 3.531 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.081 1.603 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.401 1.489 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.556 -0.066 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.717 0.165 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.805 3.029 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.077 1.780 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.507 2.612 3.867 1.00 0.00 H new ATOM 644 N TRP A 41 -4.475 -0.651 5.393 1.00 0.00 N ATOM 645 CA TRP A 41 -5.168 -1.139 6.571 1.00 0.00 C ATOM 646 C TRP A 41 -6.144 -0.116 7.098 1.00 0.00 C ATOM 647 O TRP A 41 -7.242 -0.447 7.531 1.00 0.00 O ATOM 648 CB TRP A 41 -4.161 -1.459 7.653 1.00 0.00 C ATOM 649 CG TRP A 41 -4.608 -2.550 8.561 1.00 0.00 C ATOM 650 CD1 TRP A 41 -4.623 -2.515 9.919 1.00 0.00 C ATOM 651 CD2 TRP A 41 -5.110 -3.835 8.179 1.00 0.00 C ATOM 652 NE1 TRP A 41 -5.092 -3.701 10.412 1.00 0.00 N ATOM 653 CE2 TRP A 41 -5.405 -4.530 9.366 1.00 0.00 C ATOM 654 CE3 TRP A 41 -5.339 -4.467 6.953 1.00 0.00 C ATOM 655 CZ2 TRP A 41 -5.916 -5.825 9.360 1.00 0.00 C ATOM 656 CZ3 TRP A 41 -5.847 -5.750 6.949 1.00 0.00 C ATOM 657 CH2 TRP A 41 -6.131 -6.416 8.147 1.00 0.00 C ATOM 0 H TRP A 41 -3.489 -0.442 5.548 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.722 -2.034 6.289 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.217 -1.744 7.189 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.970 -0.561 8.240 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -4.311 -1.674 10.521 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.193 -3.932 11.400 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.122 -3.960 6.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.135 -6.344 10.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.028 -6.248 6.008 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.529 -7.419 8.112 1.00 0.00 H new ATOM 668 N HIS A 42 -5.728 1.127 7.053 1.00 0.00 N ATOM 669 CA HIS A 42 -6.558 2.212 7.537 1.00 0.00 C ATOM 670 C HIS A 42 -6.167 3.518 6.895 1.00 0.00 C ATOM 671 O HIS A 42 -4.995 3.873 6.876 1.00 0.00 O ATOM 672 CB HIS A 42 -6.393 2.354 9.041 1.00 0.00 C ATOM 673 CG HIS A 42 -7.650 2.743 9.755 1.00 0.00 C ATOM 674 ND1 HIS A 42 -8.390 1.824 10.458 1.00 0.00 N ATOM 675 CD2 HIS A 42 -8.261 3.951 9.829 1.00 0.00 C ATOM 676 CE1 HIS A 42 -9.426 2.487 10.940 1.00 0.00 C ATOM 677 NE2 HIS A 42 -9.392 3.778 10.586 1.00 0.00 N ATOM 0 H HIS A 42 -4.821 1.416 6.687 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.593 1.979 7.284 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.033 1.409 9.448 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -5.626 3.101 9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.922 4.872 9.379 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.203 2.043 11.544 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.075 4.494 10.832 1.00 0.00 H new ATOM 685 N VAL A 43 -7.145 4.220 6.367 1.00 0.00 N ATOM 686 CA VAL A 43 -6.898 5.502 5.739 1.00 0.00 C ATOM 687 C VAL A 43 -7.765 6.580 6.381 1.00 0.00 C ATOM 688 O VAL A 43 -8.980 6.426 6.533 1.00 0.00 O ATOM 689 CB VAL A 43 -7.101 5.439 4.211 1.00 0.00 C ATOM 690 CG1 VAL A 43 -8.446 4.863 3.866 1.00 0.00 C ATOM 691 CG2 VAL A 43 -6.931 6.800 3.571 1.00 0.00 C ATOM 0 H VAL A 43 -8.121 3.925 6.359 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.853 5.765 5.902 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.331 4.780 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.561 4.831 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.524 3.853 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.230 5.487 4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.081 6.717 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.663 7.492 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.926 7.173 3.770 1.00 0.00 H new ATOM 701 N GLU A 44 -7.099 7.640 6.802 1.00 0.00 N ATOM 702 CA GLU A 44 -7.725 8.769 7.465 1.00 0.00 C ATOM 703 C GLU A 44 -8.653 9.534 6.535 1.00 0.00 C ATOM 704 O GLU A 44 -8.210 10.195 5.590 1.00 0.00 O ATOM 705 CB GLU A 44 -6.657 9.705 8.014 1.00 0.00 C ATOM 706 CG GLU A 44 -6.498 9.623 9.522 1.00 0.00 C ATOM 707 CD GLU A 44 -5.640 10.735 10.082 1.00 0.00 C ATOM 708 OE1 GLU A 44 -4.400 10.656 9.963 1.00 0.00 O ATOM 709 OE2 GLU A 44 -6.201 11.686 10.662 1.00 0.00 O ATOM 0 H GLU A 44 -6.090 7.742 6.691 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.329 8.376 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.703 9.471 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.906 10.730 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.482 9.659 9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.056 8.662 9.784 1.00 0.00 H new ATOM 716 N ASP A 45 -9.937 9.477 6.841 1.00 0.00 N ATOM 717 CA ASP A 45 -10.965 10.156 6.057 1.00 0.00 C ATOM 718 C ASP A 45 -11.059 11.631 6.442 1.00 0.00 C ATOM 719 O ASP A 45 -12.147 12.201 6.512 1.00 0.00 O ATOM 720 CB ASP A 45 -12.322 9.467 6.262 1.00 0.00 C ATOM 721 CG ASP A 45 -12.720 9.372 7.727 1.00 0.00 C ATOM 722 OD1 ASP A 45 -11.970 8.750 8.516 1.00 0.00 O ATOM 723 OD2 ASP A 45 -13.779 9.918 8.099 1.00 0.00 O ATOM 0 H ASP A 45 -10.301 8.959 7.641 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.690 10.097 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.089 10.017 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.284 8.465 5.835 1.00 0.00 H new ATOM 728 N GLY A 46 -9.908 12.252 6.664 1.00 0.00 N ATOM 729 CA GLY A 46 -9.883 13.646 7.051 1.00 0.00 C ATOM 730 C GLY A 46 -9.384 14.566 5.954 1.00 0.00 C ATOM 731 O GLY A 46 -9.463 15.788 6.089 1.00 0.00 O ATOM 0 H GLY A 46 -8.991 11.813 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.887 13.952 7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.247 13.761 7.929 1.00 0.00 H new ATOM 735 N GLY A 47 -8.869 14.005 4.863 1.00 0.00 N ATOM 736 CA GLY A 47 -8.372 14.850 3.791 1.00 0.00 C ATOM 737 C GLY A 47 -7.407 14.164 2.828 1.00 0.00 C ATOM 738 O GLY A 47 -7.573 14.299 1.615 1.00 0.00 O ATOM 0 H GLY A 47 -8.788 13.001 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.222 15.229 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.872 15.713 4.230 1.00 0.00 H new ATOM 742 N PRO A 48 -6.358 13.471 3.325 1.00 0.00 N ATOM 743 CA PRO A 48 -5.362 12.788 2.469 1.00 0.00 C ATOM 744 C PRO A 48 -5.908 11.689 1.529 1.00 0.00 C ATOM 745 O PRO A 48 -6.855 11.910 0.770 1.00 0.00 O ATOM 746 CB PRO A 48 -4.413 12.176 3.490 1.00 0.00 C ATOM 747 CG PRO A 48 -4.531 13.040 4.681 1.00 0.00 C ATOM 748 CD PRO A 48 -5.986 13.352 4.755 1.00 0.00 C ATOM 0 HA PRO A 48 -4.922 13.499 1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.689 11.147 3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.389 12.156 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.186 12.530 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.933 13.946 4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.546 12.563 5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.176 14.275 5.303 1.00 0.00 H new ATOM 756 N ALA A 49 -5.273 10.509 1.586 1.00 0.00 N ATOM 757 CA ALA A 49 -5.600 9.363 0.732 1.00 0.00 C ATOM 758 C ALA A 49 -7.096 9.083 0.606 1.00 0.00 C ATOM 759 O ALA A 49 -7.572 8.782 -0.489 1.00 0.00 O ATOM 760 CB ALA A 49 -4.847 8.119 1.218 1.00 0.00 C ATOM 0 H ALA A 49 -4.509 10.324 2.236 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.273 9.625 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.094 7.271 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.774 8.304 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.137 7.896 2.245 1.00 0.00 H new ATOM 766 N SER A 50 -7.838 9.211 1.696 1.00 0.00 N ATOM 767 CA SER A 50 -9.269 8.947 1.674 1.00 0.00 C ATOM 768 C SER A 50 -9.990 9.816 0.646 1.00 0.00 C ATOM 769 O SER A 50 -10.557 9.307 -0.320 1.00 0.00 O ATOM 770 CB SER A 50 -9.857 9.194 3.053 1.00 0.00 C ATOM 771 OG SER A 50 -9.631 8.098 3.914 1.00 0.00 O ATOM 0 H SER A 50 -7.474 9.496 2.605 1.00 0.00 H new ATOM 0 HA SER A 50 -9.411 7.904 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.415 10.093 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.928 9.375 2.966 1.00 0.00 H new ATOM 0 HG SER A 50 -10.429 7.941 4.460 1.00 0.00 H new ATOM 777 N GLU A 51 -9.941 11.127 0.854 1.00 0.00 N ATOM 778 CA GLU A 51 -10.597 12.079 -0.036 1.00 0.00 C ATOM 779 C GLU A 51 -10.002 12.029 -1.432 1.00 0.00 C ATOM 780 O GLU A 51 -10.641 12.419 -2.410 1.00 0.00 O ATOM 781 CB GLU A 51 -10.501 13.483 0.540 1.00 0.00 C ATOM 782 CG GLU A 51 -11.293 13.642 1.824 1.00 0.00 C ATOM 783 CD GLU A 51 -12.782 13.773 1.574 1.00 0.00 C ATOM 784 OE1 GLU A 51 -13.471 12.736 1.476 1.00 0.00 O ATOM 785 OE2 GLU A 51 -13.271 14.918 1.471 1.00 0.00 O ATOM 0 H GLU A 51 -9.450 11.558 1.637 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.648 11.803 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.455 13.723 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.863 14.200 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.110 12.782 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.939 14.523 2.359 1.00 0.00 H new ATOM 792 N ALA A 52 -8.770 11.557 -1.514 1.00 0.00 N ATOM 793 CA ALA A 52 -8.086 11.430 -2.784 1.00 0.00 C ATOM 794 C ALA A 52 -8.752 10.357 -3.637 1.00 0.00 C ATOM 795 O ALA A 52 -8.690 10.398 -4.866 1.00 0.00 O ATOM 796 CB ALA A 52 -6.621 11.108 -2.553 1.00 0.00 C ATOM 0 H ALA A 52 -8.222 11.254 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.150 12.377 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.113 11.014 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.159 11.909 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.537 10.170 -2.005 1.00 0.00 H new ATOM 802 N GLY A 53 -9.401 9.404 -2.971 1.00 0.00 N ATOM 803 CA GLY A 53 -10.075 8.335 -3.668 1.00 0.00 C ATOM 804 C GLY A 53 -9.714 6.964 -3.126 1.00 0.00 C ATOM 805 O GLY A 53 -10.306 5.959 -3.524 1.00 0.00 O ATOM 0 H GLY A 53 -9.469 9.359 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.153 8.479 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.822 8.381 -4.727 1.00 0.00 H new ATOM 809 N LEU A 54 -8.727 6.919 -2.233 1.00 0.00 N ATOM 810 CA LEU A 54 -8.282 5.661 -1.646 1.00 0.00 C ATOM 811 C LEU A 54 -9.327 5.092 -0.701 1.00 0.00 C ATOM 812 O LEU A 54 -9.694 5.711 0.299 1.00 0.00 O ATOM 813 CB LEU A 54 -6.949 5.830 -0.912 1.00 0.00 C ATOM 814 CG LEU A 54 -6.022 4.614 -0.950 1.00 0.00 C ATOM 815 CD1 LEU A 54 -4.749 4.880 -0.171 1.00 0.00 C ATOM 816 CD2 LEU A 54 -6.713 3.398 -0.392 1.00 0.00 C ATOM 0 H LEU A 54 -8.221 7.741 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.138 4.958 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.422 6.681 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.155 6.076 0.130 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.764 4.427 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.106 4.001 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.227 5.732 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.997 5.099 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.035 2.545 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.003 3.587 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.602 3.181 -0.984 1.00 0.00 H new ATOM 828 N ARG A 55 -9.816 3.919 -1.044 1.00 0.00 N ATOM 829 CA ARG A 55 -10.793 3.238 -0.222 1.00 0.00 C ATOM 830 C ARG A 55 -10.096 2.223 0.683 1.00 0.00 C ATOM 831 O ARG A 55 -9.374 1.351 0.201 1.00 0.00 O ATOM 832 CB ARG A 55 -11.861 2.563 -1.089 1.00 0.00 C ATOM 833 CG ARG A 55 -11.308 1.691 -2.207 1.00 0.00 C ATOM 834 CD ARG A 55 -11.532 0.212 -1.932 1.00 0.00 C ATOM 835 NE ARG A 55 -12.952 -0.107 -1.777 1.00 0.00 N ATOM 836 CZ ARG A 55 -13.439 -1.347 -1.764 1.00 0.00 C ATOM 837 NH1 ARG A 55 -12.627 -2.383 -1.927 1.00 0.00 N ATOM 838 NH2 ARG A 55 -14.739 -1.546 -1.599 1.00 0.00 N ATOM 0 H ARG A 55 -9.551 3.416 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.296 3.973 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.497 1.951 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.496 3.333 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.785 1.962 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.241 1.882 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.115 -0.376 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.995 -0.074 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.608 0.667 -1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.628 -2.231 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.002 -3.331 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.366 -0.750 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.112 -2.495 -1.589 1.00 0.00 H new ATOM 852 N GLN A 56 -10.267 2.376 1.991 1.00 0.00 N ATOM 853 CA GLN A 56 -9.675 1.459 2.964 1.00 0.00 C ATOM 854 C GLN A 56 -9.980 -0.002 2.617 1.00 0.00 C ATOM 855 O GLN A 56 -11.086 -0.329 2.178 1.00 0.00 O ATOM 856 CB GLN A 56 -10.202 1.781 4.362 1.00 0.00 C ATOM 857 CG GLN A 56 -9.508 1.034 5.461 1.00 0.00 C ATOM 858 CD GLN A 56 -9.851 1.561 6.838 1.00 0.00 C ATOM 859 OE1 GLN A 56 -10.041 2.762 7.027 1.00 0.00 O ATOM 860 NE2 GLN A 56 -9.937 0.669 7.808 1.00 0.00 N ATOM 0 H GLN A 56 -10.814 3.130 2.406 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.593 1.591 2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.097 2.851 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.268 1.554 4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.778 -0.021 5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.430 1.096 5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.772 -0.318 7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.168 0.967 8.756 1.00 0.00 H new ATOM 869 N GLY A 57 -8.992 -0.874 2.821 1.00 0.00 N ATOM 870 CA GLY A 57 -9.164 -2.288 2.535 1.00 0.00 C ATOM 871 C GLY A 57 -8.708 -2.677 1.138 1.00 0.00 C ATOM 872 O GLY A 57 -8.887 -3.823 0.720 1.00 0.00 O ATOM 0 H GLY A 57 -8.071 -0.623 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.606 -2.871 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.215 -2.551 2.653 1.00 0.00 H new ATOM 876 N ASP A 58 -8.112 -1.738 0.418 1.00 0.00 N ATOM 877 CA ASP A 58 -7.636 -2.006 -0.937 1.00 0.00 C ATOM 878 C ASP A 58 -6.197 -2.509 -0.922 1.00 0.00 C ATOM 879 O ASP A 58 -5.438 -2.240 0.015 1.00 0.00 O ATOM 880 CB ASP A 58 -7.737 -0.753 -1.798 1.00 0.00 C ATOM 881 CG ASP A 58 -8.111 -1.083 -3.227 1.00 0.00 C ATOM 882 OD1 ASP A 58 -7.482 -1.987 -3.812 1.00 0.00 O ATOM 883 OD2 ASP A 58 -9.041 -0.446 -3.763 1.00 0.00 O ATOM 0 H ASP A 58 -7.945 -0.786 0.745 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.270 -2.783 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.481 -0.079 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.784 -0.224 -1.784 1.00 0.00 H new ATOM 888 N LEU A 59 -5.830 -3.235 -1.963 1.00 0.00 N ATOM 889 CA LEU A 59 -4.489 -3.785 -2.091 1.00 0.00 C ATOM 890 C LEU A 59 -3.665 -2.914 -3.025 1.00 0.00 C ATOM 891 O LEU A 59 -4.129 -2.525 -4.095 1.00 0.00 O ATOM 892 CB LEU A 59 -4.547 -5.226 -2.609 1.00 0.00 C ATOM 893 CG LEU A 59 -3.263 -5.746 -3.273 1.00 0.00 C ATOM 894 CD1 LEU A 59 -2.312 -6.324 -2.238 1.00 0.00 C ATOM 895 CD2 LEU A 59 -3.590 -6.787 -4.330 1.00 0.00 C ATOM 0 H LEU A 59 -6.449 -3.460 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.015 -3.797 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.795 -5.883 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.363 -5.302 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.770 -4.903 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.411 -6.685 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.045 -5.551 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.797 -7.151 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.667 -7.143 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.111 -7.625 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.227 -6.342 -5.095 1.00 0.00 H new ATOM 907 N ILE A 60 -2.447 -2.608 -2.617 1.00 0.00 N ATOM 908 CA ILE A 60 -1.570 -1.774 -3.416 1.00 0.00 C ATOM 909 C ILE A 60 -0.726 -2.641 -4.330 1.00 0.00 C ATOM 910 O ILE A 60 -0.024 -3.541 -3.873 1.00 0.00 O ATOM 911 CB ILE A 60 -0.651 -0.892 -2.539 1.00 0.00 C ATOM 912 CG1 ILE A 60 -1.471 0.130 -1.749 1.00 0.00 C ATOM 913 CG2 ILE A 60 0.379 -0.173 -3.399 1.00 0.00 C ATOM 914 CD1 ILE A 60 -2.201 -0.440 -0.553 1.00 0.00 C ATOM 0 H ILE A 60 -2.043 -2.925 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.199 -1.110 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.133 -1.543 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.807 0.924 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.199 0.588 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.017 0.443 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.990 -0.907 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.131 0.461 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.756 0.354 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.894 -1.213 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.480 -0.872 0.141 1.00 0.00 H new ATOM 926 N THR A 61 -0.822 -2.386 -5.621 1.00 0.00 N ATOM 927 CA THR A 61 -0.068 -3.140 -6.602 1.00 0.00 C ATOM 928 C THR A 61 1.170 -2.360 -7.034 1.00 0.00 C ATOM 929 O THR A 61 2.261 -2.917 -7.184 1.00 0.00 O ATOM 930 CB THR A 61 -0.941 -3.464 -7.833 1.00 0.00 C ATOM 931 OG1 THR A 61 -1.181 -2.279 -8.604 1.00 0.00 O ATOM 932 CG2 THR A 61 -2.274 -4.060 -7.402 1.00 0.00 C ATOM 0 H THR A 61 -1.418 -1.658 -6.015 1.00 0.00 H new ATOM 0 HA THR A 61 0.245 -4.077 -6.142 1.00 0.00 H new ATOM 0 HB THR A 61 -0.404 -4.190 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.411 -2.105 -9.185 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.875 -4.282 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.098 -4.979 -6.842 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.804 -3.347 -6.771 1.00 0.00 H new ATOM 940 N HIS A 62 0.989 -1.058 -7.206 1.00 0.00 N ATOM 941 CA HIS A 62 2.065 -0.182 -7.639 1.00 0.00 C ATOM 942 C HIS A 62 2.042 1.126 -6.861 1.00 0.00 C ATOM 943 O HIS A 62 1.012 1.522 -6.316 1.00 0.00 O ATOM 944 CB HIS A 62 1.931 0.131 -9.134 1.00 0.00 C ATOM 945 CG HIS A 62 2.190 -1.036 -10.042 1.00 0.00 C ATOM 946 ND1 HIS A 62 1.260 -2.036 -10.215 1.00 0.00 N ATOM 947 CD2 HIS A 62 3.275 -1.305 -10.803 1.00 0.00 C ATOM 948 CE1 HIS A 62 1.800 -2.885 -11.074 1.00 0.00 C ATOM 949 NE2 HIS A 62 3.020 -2.483 -11.457 1.00 0.00 N ATOM 0 H HIS A 62 0.099 -0.584 -7.050 1.00 0.00 H new ATOM 0 HA HIS A 62 3.007 -0.697 -7.453 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.926 0.507 -9.325 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.624 0.933 -9.388 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.171 -0.707 -10.881 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.319 -3.787 -11.422 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.640 -2.962 -12.110 1.00 0.00 H new ATOM 957 N VAL A 63 3.182 1.787 -6.809 1.00 0.00 N ATOM 958 CA VAL A 63 3.296 3.066 -6.133 1.00 0.00 C ATOM 959 C VAL A 63 4.178 4.008 -6.949 1.00 0.00 C ATOM 960 O VAL A 63 5.374 3.773 -7.114 1.00 0.00 O ATOM 961 CB VAL A 63 3.840 2.909 -4.692 1.00 0.00 C ATOM 962 CG1 VAL A 63 5.182 2.189 -4.669 1.00 0.00 C ATOM 963 CG2 VAL A 63 3.938 4.262 -4.002 1.00 0.00 C ATOM 0 H VAL A 63 4.050 1.456 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 63 2.298 3.495 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 63 3.131 2.291 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.529 2.099 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.069 1.195 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.910 2.757 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.322 4.128 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.612 4.909 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.950 4.720 -3.957 1.00 0.00 H new ATOM 973 N ASN A 64 3.562 5.051 -7.505 1.00 0.00 N ATOM 974 CA ASN A 64 4.280 6.034 -8.319 1.00 0.00 C ATOM 975 C ASN A 64 4.918 5.370 -9.531 1.00 0.00 C ATOM 976 O ASN A 64 5.957 5.818 -10.021 1.00 0.00 O ATOM 977 CB ASN A 64 5.363 6.722 -7.489 1.00 0.00 C ATOM 978 CG ASN A 64 5.123 8.208 -7.320 1.00 0.00 C ATOM 979 OD1 ASN A 64 3.981 8.665 -7.225 1.00 0.00 O ATOM 980 ND2 ASN A 64 6.199 8.980 -7.283 1.00 0.00 N ATOM 0 H ASN A 64 2.564 5.238 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 64 3.559 6.777 -8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.413 6.253 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.331 6.568 -7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.099 9.989 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.127 8.565 -7.365 1.00 0.00 H new ATOM 987 N GLY A 65 4.295 4.304 -10.015 1.00 0.00 N ATOM 988 CA GLY A 65 4.835 3.591 -11.153 1.00 0.00 C ATOM 989 C GLY A 65 6.012 2.729 -10.750 1.00 0.00 C ATOM 990 O GLY A 65 7.034 2.684 -11.437 1.00 0.00 O ATOM 0 H GLY A 65 3.427 3.922 -9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.059 2.967 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.147 4.303 -11.917 1.00 0.00 H new ATOM 994 N GLU A 66 5.847 2.035 -9.637 1.00 0.00 N ATOM 995 CA GLU A 66 6.863 1.178 -9.090 1.00 0.00 C ATOM 996 C GLU A 66 6.206 0.026 -8.336 1.00 0.00 C ATOM 997 O GLU A 66 5.618 0.227 -7.274 1.00 0.00 O ATOM 998 CB GLU A 66 7.722 1.997 -8.137 1.00 0.00 C ATOM 999 CG GLU A 66 9.176 1.555 -8.062 1.00 0.00 C ATOM 1000 CD GLU A 66 9.775 1.263 -9.420 1.00 0.00 C ATOM 1001 OE1 GLU A 66 10.194 2.215 -10.109 1.00 0.00 O ATOM 1002 OE2 GLU A 66 9.842 0.075 -9.797 1.00 0.00 O ATOM 0 H GLU A 66 4.988 2.057 -9.087 1.00 0.00 H new ATOM 0 HA GLU A 66 7.482 0.769 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.688 3.042 -8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.287 1.944 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.762 2.333 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.247 0.663 -7.440 1.00 0.00 H new ATOM 1009 N PRO A 67 6.239 -1.179 -8.924 1.00 0.00 N ATOM 1010 CA PRO A 67 5.683 -2.381 -8.328 1.00 0.00 C ATOM 1011 C PRO A 67 6.159 -2.553 -6.902 1.00 0.00 C ATOM 1012 O PRO A 67 7.357 -2.501 -6.609 1.00 0.00 O ATOM 1013 CB PRO A 67 6.195 -3.528 -9.214 1.00 0.00 C ATOM 1014 CG PRO A 67 7.162 -2.907 -10.163 1.00 0.00 C ATOM 1015 CD PRO A 67 6.812 -1.450 -10.225 1.00 0.00 C ATOM 0 HA PRO A 67 4.595 -2.347 -8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.677 -4.300 -8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.374 -4.005 -9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.187 -3.047 -9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.090 -3.367 -11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.692 -0.834 -10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.103 -1.242 -11.026 1.00 0.00 H new ATOM 1023 N VAL A 68 5.207 -2.767 -6.033 1.00 0.00 N ATOM 1024 CA VAL A 68 5.476 -2.928 -4.610 1.00 0.00 C ATOM 1025 C VAL A 68 5.789 -4.373 -4.330 1.00 0.00 C ATOM 1026 O VAL A 68 6.186 -4.758 -3.233 1.00 0.00 O ATOM 1027 CB VAL A 68 4.283 -2.472 -3.744 1.00 0.00 C ATOM 1028 CG1 VAL A 68 3.928 -1.022 -4.043 1.00 0.00 C ATOM 1029 CG2 VAL A 68 3.080 -3.378 -3.958 1.00 0.00 C ATOM 0 H VAL A 68 4.220 -2.836 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 68 6.327 -2.299 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 68 4.576 -2.543 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.085 -0.719 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.786 -0.385 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.659 -0.923 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.252 -3.036 -3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.784 -3.348 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.341 -4.400 -3.684 1.00 0.00 H new ATOM 1039 N HIS A 69 5.585 -5.143 -5.364 1.00 0.00 N ATOM 1040 CA HIS A 69 5.800 -6.553 -5.382 1.00 0.00 C ATOM 1041 C HIS A 69 7.223 -6.912 -4.960 1.00 0.00 C ATOM 1042 O HIS A 69 8.167 -6.775 -5.743 1.00 0.00 O ATOM 1043 CB HIS A 69 5.503 -7.006 -6.801 1.00 0.00 C ATOM 1044 CG HIS A 69 4.047 -6.948 -7.161 1.00 0.00 C ATOM 1045 ND1 HIS A 69 3.542 -7.661 -8.218 1.00 0.00 N ATOM 1046 CD2 HIS A 69 3.040 -6.248 -6.579 1.00 0.00 C ATOM 1047 CE1 HIS A 69 2.250 -7.384 -8.260 1.00 0.00 C ATOM 1048 NE2 HIS A 69 1.899 -6.531 -7.284 1.00 0.00 N ATOM 0 H HIS A 69 5.248 -4.781 -6.256 1.00 0.00 H new ATOM 0 HA HIS A 69 5.151 -7.058 -4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.065 -6.383 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.859 -8.028 -6.929 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.122 -5.593 -5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.564 -7.792 -8.987 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.965 -6.165 -7.102 1.00 0.00 H new ATOM 1056 N GLY A 70 7.379 -7.338 -3.713 1.00 0.00 N ATOM 1057 CA GLY A 70 8.689 -7.709 -3.213 1.00 0.00 C ATOM 1058 C GLY A 70 9.294 -6.653 -2.304 1.00 0.00 C ATOM 1059 O GLY A 70 10.355 -6.868 -1.713 1.00 0.00 O ATOM 0 H GLY A 70 6.620 -7.433 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.612 -8.650 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.358 -7.883 -4.056 1.00 0.00 H new ATOM 1063 N LEU A 71 8.632 -5.507 -2.204 1.00 0.00 N ATOM 1064 CA LEU A 71 9.111 -4.423 -1.357 1.00 0.00 C ATOM 1065 C LEU A 71 8.784 -4.703 0.100 1.00 0.00 C ATOM 1066 O LEU A 71 7.716 -5.227 0.414 1.00 0.00 O ATOM 1067 CB LEU A 71 8.472 -3.085 -1.752 1.00 0.00 C ATOM 1068 CG LEU A 71 8.841 -2.534 -3.129 1.00 0.00 C ATOM 1069 CD1 LEU A 71 8.355 -1.096 -3.262 1.00 0.00 C ATOM 1070 CD2 LEU A 71 10.340 -2.611 -3.366 1.00 0.00 C ATOM 0 H LEU A 71 7.763 -5.305 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 71 10.191 -4.359 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.389 -3.198 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.745 -2.342 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 71 8.351 -3.147 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.622 -0.711 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.272 -1.065 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.823 -0.481 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.573 -2.212 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.859 -2.026 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.665 -3.650 -3.308 1.00 0.00 H new ATOM 1082 N VAL A 72 9.702 -4.361 0.989 1.00 0.00 N ATOM 1083 CA VAL A 72 9.474 -4.544 2.411 1.00 0.00 C ATOM 1084 C VAL A 72 8.577 -3.411 2.911 1.00 0.00 C ATOM 1085 O VAL A 72 8.325 -2.453 2.175 1.00 0.00 O ATOM 1086 CB VAL A 72 10.805 -4.589 3.208 1.00 0.00 C ATOM 1087 CG1 VAL A 72 11.319 -3.190 3.519 1.00 0.00 C ATOM 1088 CG2 VAL A 72 10.647 -5.399 4.489 1.00 0.00 C ATOM 0 H VAL A 72 10.608 -3.957 0.752 1.00 0.00 H new ATOM 0 HA VAL A 72 8.984 -5.504 2.570 1.00 0.00 H new ATOM 0 HB VAL A 72 11.545 -5.083 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.252 -3.261 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.494 -2.651 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.579 -2.655 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.594 -5.415 5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.880 -4.943 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.354 -6.419 4.241 1.00 0.00 H new ATOM 1098 N HIS A 73 8.092 -3.526 4.141 1.00 0.00 N ATOM 1099 CA HIS A 73 7.212 -2.519 4.735 1.00 0.00 C ATOM 1100 C HIS A 73 7.748 -1.106 4.559 1.00 0.00 C ATOM 1101 O HIS A 73 7.072 -0.220 4.049 1.00 0.00 O ATOM 1102 CB HIS A 73 7.061 -2.768 6.234 1.00 0.00 C ATOM 1103 CG HIS A 73 5.885 -2.064 6.827 1.00 0.00 C ATOM 1104 ND1 HIS A 73 4.689 -2.674 7.112 1.00 0.00 N ATOM 1105 CD2 HIS A 73 5.731 -0.763 7.169 1.00 0.00 C ATOM 1106 CE1 HIS A 73 3.864 -1.751 7.605 1.00 0.00 C ATOM 1107 NE2 HIS A 73 4.448 -0.571 7.661 1.00 0.00 N ATOM 0 H HIS A 73 8.294 -4.315 4.755 1.00 0.00 H new ATOM 0 HA HIS A 73 6.255 -2.606 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.963 -3.839 6.411 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.968 -2.442 6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.486 0.003 7.074 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.849 -1.945 7.918 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.041 0.302 7.996 1.00 0.00 H new ATOM 1115 N THR A 74 8.972 -0.919 4.978 1.00 0.00 N ATOM 1116 CA THR A 74 9.601 0.378 4.934 1.00 0.00 C ATOM 1117 C THR A 74 9.898 0.833 3.510 1.00 0.00 C ATOM 1118 O THR A 74 9.996 2.028 3.249 1.00 0.00 O ATOM 1119 CB THR A 74 10.885 0.341 5.774 1.00 0.00 C ATOM 1120 OG1 THR A 74 11.911 -0.370 5.068 1.00 0.00 O ATOM 1121 CG2 THR A 74 10.613 -0.356 7.104 1.00 0.00 C ATOM 0 H THR A 74 9.561 -1.659 5.359 1.00 0.00 H new ATOM 0 HA THR A 74 8.906 1.107 5.350 1.00 0.00 H new ATOM 0 HB THR A 74 11.215 1.363 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.728 -0.388 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.528 -0.379 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.842 0.188 7.649 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.275 -1.375 6.918 1.00 0.00 H new ATOM 1129 N GLU A 75 9.998 -0.114 2.583 1.00 0.00 N ATOM 1130 CA GLU A 75 10.287 0.215 1.200 1.00 0.00 C ATOM 1131 C GLU A 75 9.117 0.938 0.542 1.00 0.00 C ATOM 1132 O GLU A 75 9.322 1.919 -0.171 1.00 0.00 O ATOM 1133 CB GLU A 75 10.660 -1.034 0.415 1.00 0.00 C ATOM 1134 CG GLU A 75 12.131 -1.389 0.524 1.00 0.00 C ATOM 1135 CD GLU A 75 12.536 -2.507 -0.408 1.00 0.00 C ATOM 1136 OE1 GLU A 75 12.129 -3.662 -0.172 1.00 0.00 O ATOM 1137 OE2 GLU A 75 13.277 -2.233 -1.380 1.00 0.00 O ATOM 0 H GLU A 75 9.883 -1.111 2.767 1.00 0.00 H new ATOM 0 HA GLU A 75 11.140 0.893 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.063 -1.873 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.405 -0.886 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.730 -0.505 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.355 -1.679 1.551 1.00 0.00 H new ATOM 1144 N VAL A 76 7.892 0.470 0.777 1.00 0.00 N ATOM 1145 CA VAL A 76 6.730 1.132 0.194 1.00 0.00 C ATOM 1146 C VAL A 76 6.576 2.522 0.794 1.00 0.00 C ATOM 1147 O VAL A 76 6.331 3.499 0.086 1.00 0.00 O ATOM 1148 CB VAL A 76 5.417 0.341 0.367 1.00 0.00 C ATOM 1149 CG1 VAL A 76 5.419 -0.866 -0.548 1.00 0.00 C ATOM 1150 CG2 VAL A 76 5.170 -0.066 1.815 1.00 0.00 C ATOM 0 H VAL A 76 7.682 -0.345 1.353 1.00 0.00 H new ATOM 0 HA VAL A 76 6.914 1.195 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 76 4.593 0.998 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.489 -1.420 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.507 -0.537 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.262 -1.510 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.234 -0.620 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.990 -0.696 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.110 0.826 2.438 1.00 0.00 H new ATOM 1160 N VAL A 77 6.723 2.593 2.110 1.00 0.00 N ATOM 1161 CA VAL A 77 6.649 3.854 2.831 1.00 0.00 C ATOM 1162 C VAL A 77 7.675 4.837 2.268 1.00 0.00 C ATOM 1163 O VAL A 77 7.353 5.996 1.995 1.00 0.00 O ATOM 1164 CB VAL A 77 6.890 3.644 4.336 1.00 0.00 C ATOM 1165 CG1 VAL A 77 6.763 4.950 5.105 1.00 0.00 C ATOM 1166 CG2 VAL A 77 5.932 2.599 4.890 1.00 0.00 C ATOM 0 H VAL A 77 6.896 1.782 2.704 1.00 0.00 H new ATOM 0 HA VAL A 77 5.648 4.265 2.701 1.00 0.00 H new ATOM 0 HB VAL A 77 7.910 3.282 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.939 4.767 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.498 5.664 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.761 5.357 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.117 2.464 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.905 2.931 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.087 1.653 4.372 1.00 0.00 H new ATOM 1176 N GLU A 78 8.907 4.361 2.090 1.00 0.00 N ATOM 1177 CA GLU A 78 9.972 5.178 1.529 1.00 0.00 C ATOM 1178 C GLU A 78 9.634 5.592 0.110 1.00 0.00 C ATOM 1179 O GLU A 78 9.846 6.736 -0.270 1.00 0.00 O ATOM 1180 CB GLU A 78 11.301 4.432 1.548 1.00 0.00 C ATOM 1181 CG GLU A 78 11.968 4.457 2.904 1.00 0.00 C ATOM 1182 CD GLU A 78 13.396 3.960 2.866 1.00 0.00 C ATOM 1183 OE1 GLU A 78 14.142 4.349 1.941 1.00 0.00 O ATOM 1184 OE2 GLU A 78 13.779 3.174 3.757 1.00 0.00 O ATOM 0 H GLU A 78 9.188 3.410 2.328 1.00 0.00 H new ATOM 0 HA GLU A 78 10.067 6.071 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.136 3.397 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.971 4.874 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.953 5.475 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.393 3.843 3.598 1.00 0.00 H new ATOM 1191 N LEU A 79 9.123 4.646 -0.669 1.00 0.00 N ATOM 1192 CA LEU A 79 8.719 4.910 -2.050 1.00 0.00 C ATOM 1193 C LEU A 79 7.757 6.095 -2.093 1.00 0.00 C ATOM 1194 O LEU A 79 7.840 6.957 -2.971 1.00 0.00 O ATOM 1195 CB LEU A 79 8.039 3.674 -2.654 1.00 0.00 C ATOM 1196 CG LEU A 79 8.583 3.208 -4.010 1.00 0.00 C ATOM 1197 CD1 LEU A 79 8.558 4.339 -5.026 1.00 0.00 C ATOM 1198 CD2 LEU A 79 9.991 2.657 -3.854 1.00 0.00 C ATOM 0 H LEU A 79 8.977 3.683 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 79 9.609 5.144 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.129 2.851 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.975 3.885 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 79 7.938 2.411 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.949 3.981 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.533 4.684 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.174 5.164 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.364 2.330 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.644 3.434 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.976 1.811 -3.167 1.00 0.00 H new ATOM 1210 N ILE A 80 6.853 6.130 -1.124 1.00 0.00 N ATOM 1211 CA ILE A 80 5.878 7.190 -1.016 1.00 0.00 C ATOM 1212 C ILE A 80 6.550 8.514 -0.635 1.00 0.00 C ATOM 1213 O ILE A 80 6.341 9.538 -1.288 1.00 0.00 O ATOM 1214 CB ILE A 80 4.805 6.814 0.019 1.00 0.00 C ATOM 1215 CG1 ILE A 80 3.904 5.722 -0.546 1.00 0.00 C ATOM 1216 CG2 ILE A 80 3.988 8.023 0.406 1.00 0.00 C ATOM 1217 CD1 ILE A 80 3.260 4.863 0.514 1.00 0.00 C ATOM 0 H ILE A 80 6.780 5.421 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 80 5.401 7.322 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 80 5.299 6.440 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.124 6.183 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.490 5.087 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.235 7.734 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.642 8.781 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.496 8.428 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.633 4.108 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.034 4.373 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.647 5.487 1.165 1.00 0.00 H new ATOM 1229 N LEU A 81 7.351 8.486 0.428 1.00 0.00 N ATOM 1230 CA LEU A 81 8.070 9.674 0.889 1.00 0.00 C ATOM 1231 C LEU A 81 9.002 10.198 -0.204 1.00 0.00 C ATOM 1232 O LEU A 81 9.181 11.406 -0.362 1.00 0.00 O ATOM 1233 CB LEU A 81 8.876 9.353 2.151 1.00 0.00 C ATOM 1234 CG LEU A 81 8.053 8.850 3.337 1.00 0.00 C ATOM 1235 CD1 LEU A 81 8.962 8.334 4.436 1.00 0.00 C ATOM 1236 CD2 LEU A 81 7.155 9.955 3.870 1.00 0.00 C ATOM 0 H LEU A 81 7.520 7.651 0.989 1.00 0.00 H new ATOM 0 HA LEU A 81 7.337 10.446 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.625 8.601 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.415 10.250 2.457 1.00 0.00 H new ATOM 0 HG LEU A 81 7.425 8.028 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.358 7.980 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.567 7.512 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.615 9.138 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.577 9.579 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.767 10.796 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.476 10.284 3.083 1.00 0.00 H new ATOM 1248 N LYS A 82 9.580 9.264 -0.951 1.00 0.00 N ATOM 1249 CA LYS A 82 10.497 9.563 -2.046 1.00 0.00 C ATOM 1250 C LYS A 82 9.847 10.449 -3.092 1.00 0.00 C ATOM 1251 O LYS A 82 10.488 11.330 -3.666 1.00 0.00 O ATOM 1252 CB LYS A 82 10.918 8.271 -2.701 1.00 0.00 C ATOM 1253 CG LYS A 82 12.126 8.388 -3.610 1.00 0.00 C ATOM 1254 CD LYS A 82 12.241 7.179 -4.519 1.00 0.00 C ATOM 1255 CE LYS A 82 12.584 5.922 -3.734 1.00 0.00 C ATOM 1256 NZ LYS A 82 12.766 4.741 -4.618 1.00 0.00 N ATOM 0 H LYS A 82 9.423 8.266 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 82 11.357 10.091 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.135 7.539 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.080 7.883 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.047 9.294 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.030 8.483 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.301 7.032 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.008 7.360 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.497 6.090 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.791 5.717 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.998 3.908 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.887 4.563 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.540 4.925 -5.288 1.00 0.00 H new ATOM 1270 N SER A 83 8.581 10.176 -3.355 1.00 0.00 N ATOM 1271 CA SER A 83 7.815 10.937 -4.329 1.00 0.00 C ATOM 1272 C SER A 83 7.819 12.432 -3.993 1.00 0.00 C ATOM 1273 O SER A 83 8.026 13.271 -4.876 1.00 0.00 O ATOM 1274 CB SER A 83 6.385 10.404 -4.391 1.00 0.00 C ATOM 1275 OG SER A 83 5.628 11.070 -5.382 1.00 0.00 O ATOM 0 H SER A 83 8.057 9.426 -2.904 1.00 0.00 H new ATOM 0 HA SER A 83 8.283 10.818 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.403 9.335 -4.602 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.906 10.529 -3.420 1.00 0.00 H new ATOM 0 HG SER A 83 4.950 11.633 -4.953 1.00 0.00 H new ATOM 1281 N GLY A 84 7.607 12.768 -2.723 1.00 0.00 N ATOM 1282 CA GLY A 84 7.618 14.161 -2.323 1.00 0.00 C ATOM 1283 C GLY A 84 6.495 14.532 -1.383 1.00 0.00 C ATOM 1284 O GLY A 84 6.419 14.028 -0.265 1.00 0.00 O ATOM 0 H GLY A 84 7.429 12.104 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.571 14.384 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.556 14.786 -3.214 1.00 0.00 H new ATOM 1288 N ASN A 85 5.629 15.421 -1.845 1.00 0.00 N ATOM 1289 CA ASN A 85 4.502 15.898 -1.048 1.00 0.00 C ATOM 1290 C ASN A 85 3.217 15.233 -1.495 1.00 0.00 C ATOM 1291 O ASN A 85 2.123 15.601 -1.072 1.00 0.00 O ATOM 1292 CB ASN A 85 4.362 17.415 -1.162 1.00 0.00 C ATOM 1293 CG ASN A 85 4.332 17.905 -2.599 1.00 0.00 C ATOM 1294 OD1 ASN A 85 3.270 18.036 -3.207 1.00 0.00 O ATOM 1295 ND2 ASN A 85 5.503 18.184 -3.149 1.00 0.00 N ATOM 0 H ASN A 85 5.684 15.832 -2.777 1.00 0.00 H new ATOM 0 HA ASN A 85 4.694 15.640 -0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.447 17.728 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.192 17.891 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.547 18.521 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.361 18.062 -2.611 1.00 0.00 H new ATOM 1302 N LYS A 86 3.367 14.248 -2.349 1.00 0.00 N ATOM 1303 CA LYS A 86 2.248 13.500 -2.872 1.00 0.00 C ATOM 1304 C LYS A 86 2.738 12.191 -3.438 1.00 0.00 C ATOM 1305 O LYS A 86 3.942 11.970 -3.531 1.00 0.00 O ATOM 1306 CB LYS A 86 1.533 14.274 -3.968 1.00 0.00 C ATOM 1307 CG LYS A 86 2.452 14.841 -5.038 1.00 0.00 C ATOM 1308 CD LYS A 86 1.741 14.965 -6.376 1.00 0.00 C ATOM 1309 CE LYS A 86 2.703 15.362 -7.485 1.00 0.00 C ATOM 1310 NZ LYS A 86 3.851 14.420 -7.597 1.00 0.00 N ATOM 0 H LYS A 86 4.273 13.941 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 86 1.548 13.323 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.804 13.618 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.976 15.093 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.815 15.820 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.325 14.198 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.267 14.016 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.946 15.707 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.168 15.394 -8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.078 16.368 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.295 14.523 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.549 14.634 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.512 13.444 -7.481 1.00 0.00 H new ATOM 1324 N VAL A 87 1.807 11.341 -3.834 1.00 0.00 N ATOM 1325 CA VAL A 87 2.174 10.036 -4.391 1.00 0.00 C ATOM 1326 C VAL A 87 0.997 9.322 -5.061 1.00 0.00 C ATOM 1327 O VAL A 87 -0.151 9.443 -4.632 1.00 0.00 O ATOM 1328 CB VAL A 87 2.780 9.118 -3.304 1.00 0.00 C ATOM 1329 CG1 VAL A 87 1.734 8.729 -2.269 1.00 0.00 C ATOM 1330 CG2 VAL A 87 3.417 7.880 -3.921 1.00 0.00 C ATOM 0 H VAL A 87 0.804 11.520 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 87 2.921 10.238 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 87 3.563 9.681 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.188 8.084 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.345 9.627 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.918 8.197 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.834 7.254 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.662 7.317 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.212 8.181 -4.604 1.00 0.00 H new ATOM 1340 N ALA A 88 1.310 8.599 -6.131 1.00 0.00 N ATOM 1341 CA ALA A 88 0.327 7.828 -6.892 1.00 0.00 C ATOM 1342 C ALA A 88 0.214 6.401 -6.368 1.00 0.00 C ATOM 1343 O ALA A 88 1.006 5.532 -6.732 1.00 0.00 O ATOM 1344 CB ALA A 88 0.705 7.809 -8.360 1.00 0.00 C ATOM 0 H ALA A 88 2.259 8.529 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.643 8.311 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.033 7.233 -8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.733 8.830 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.687 7.351 -8.477 1.00 0.00 H new ATOM 1350 N ILE A 89 -0.759 6.158 -5.510 1.00 0.00 N ATOM 1351 CA ILE A 89 -0.957 4.825 -4.955 1.00 0.00 C ATOM 1352 C ILE A 89 -1.883 3.994 -5.850 1.00 0.00 C ATOM 1353 O ILE A 89 -3.074 4.274 -5.968 1.00 0.00 O ATOM 1354 CB ILE A 89 -1.488 4.874 -3.496 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -1.703 3.466 -2.958 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -2.777 5.675 -3.390 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -1.727 3.406 -1.448 1.00 0.00 C ATOM 0 H ILE A 89 -1.423 6.859 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 89 0.018 4.339 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.732 5.376 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.643 3.075 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.910 2.817 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.115 5.685 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.599 6.697 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.542 5.217 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.884 2.376 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.777 3.768 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.537 4.030 -1.072 1.00 0.00 H new ATOM 1369 N SER A 90 -1.328 2.979 -6.493 1.00 0.00 N ATOM 1370 CA SER A 90 -2.102 2.130 -7.387 1.00 0.00 C ATOM 1371 C SER A 90 -2.749 0.976 -6.622 1.00 0.00 C ATOM 1372 O SER A 90 -2.069 0.033 -6.211 1.00 0.00 O ATOM 1373 CB SER A 90 -1.189 1.599 -8.494 1.00 0.00 C ATOM 1374 OG SER A 90 -1.797 1.707 -9.770 1.00 0.00 O ATOM 0 H SER A 90 -0.344 2.722 -6.413 1.00 0.00 H new ATOM 0 HA SER A 90 -2.903 2.720 -7.832 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.251 2.154 -8.490 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.944 0.556 -8.295 1.00 0.00 H new ATOM 0 HG SER A 90 -1.186 1.360 -10.454 1.00 0.00 H new ATOM 1380 N THR A 91 -4.059 1.069 -6.418 1.00 0.00 N ATOM 1381 CA THR A 91 -4.801 0.037 -5.712 1.00 0.00 C ATOM 1382 C THR A 91 -5.564 -0.837 -6.705 1.00 0.00 C ATOM 1383 O THR A 91 -5.628 -0.514 -7.891 1.00 0.00 O ATOM 1384 CB THR A 91 -5.778 0.655 -4.695 1.00 0.00 C ATOM 1385 OG1 THR A 91 -6.672 1.558 -5.356 1.00 0.00 O ATOM 1386 CG2 THR A 91 -5.022 1.398 -3.608 1.00 0.00 C ATOM 0 H THR A 91 -4.629 1.854 -6.734 1.00 0.00 H new ATOM 0 HA THR A 91 -4.086 -0.580 -5.168 1.00 0.00 H new ATOM 0 HB THR A 91 -6.350 -0.153 -4.238 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.387 1.821 -4.739 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.731 1.827 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.362 0.706 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.430 2.196 -4.057 1.00 0.00 H new ATOM 1394 N THR A 92 -6.139 -1.936 -6.228 1.00 0.00 N ATOM 1395 CA THR A 92 -6.856 -2.855 -7.102 1.00 0.00 C ATOM 1396 C THR A 92 -8.379 -2.740 -6.956 1.00 0.00 C ATOM 1397 O THR A 92 -8.964 -3.280 -6.016 1.00 0.00 O ATOM 1398 CB THR A 92 -6.395 -4.313 -6.864 1.00 0.00 C ATOM 1399 OG1 THR A 92 -7.171 -5.228 -7.650 1.00 0.00 O ATOM 1400 CG2 THR A 92 -6.489 -4.699 -5.398 1.00 0.00 C ATOM 0 H THR A 92 -6.122 -2.210 -5.246 1.00 0.00 H new ATOM 0 HA THR A 92 -6.612 -2.570 -8.125 1.00 0.00 H new ATOM 0 HB THR A 92 -5.350 -4.371 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.862 -6.144 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.157 -5.729 -5.271 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.856 -4.038 -4.806 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.522 -4.607 -5.063 1.00 0.00 H new ATOM 1408 N PRO A 93 -9.047 -2.024 -7.880 1.00 0.00 N ATOM 1409 CA PRO A 93 -10.506 -1.874 -7.857 1.00 0.00 C ATOM 1410 C PRO A 93 -11.248 -3.209 -7.756 1.00 0.00 C ATOM 1411 O PRO A 93 -10.670 -4.283 -7.948 1.00 0.00 O ATOM 1412 CB PRO A 93 -10.820 -1.217 -9.196 1.00 0.00 C ATOM 1413 CG PRO A 93 -9.585 -0.466 -9.546 1.00 0.00 C ATOM 1414 CD PRO A 93 -8.435 -1.250 -8.979 1.00 0.00 C ATOM 0 HA PRO A 93 -10.826 -1.302 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.060 -1.961 -9.956 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.680 -0.552 -9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.488 -0.361 -10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.612 0.541 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.988 -1.903 -9.728 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.644 -0.594 -8.615 1.00 0.00 H new ATOM 1422 N LEU A 94 -12.538 -3.118 -7.476 1.00 0.00 N ATOM 1423 CA LEU A 94 -13.399 -4.288 -7.341 1.00 0.00 C ATOM 1424 C LEU A 94 -13.497 -5.049 -8.661 1.00 0.00 C ATOM 1425 O LEU A 94 -13.248 -4.489 -9.730 1.00 0.00 O ATOM 1426 CB LEU A 94 -14.803 -3.865 -6.885 1.00 0.00 C ATOM 1427 CG LEU A 94 -15.038 -2.360 -6.750 1.00 0.00 C ATOM 1428 CD1 LEU A 94 -15.214 -1.737 -8.117 1.00 0.00 C ATOM 1429 CD2 LEU A 94 -16.250 -2.084 -5.879 1.00 0.00 C ATOM 0 H LEU A 94 -13.021 -2.231 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.958 -4.945 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -15.529 -4.264 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.007 -4.333 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.167 -1.913 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.381 -0.665 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.317 -1.907 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -16.071 -2.189 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.400 -1.008 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -17.132 -2.540 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -16.089 -2.506 -4.887 1.00 0.00 H new ATOM 1441 N GLU A 95 -13.866 -6.321 -8.579 1.00 0.00 N ATOM 1442 CA GLU A 95 -13.993 -7.162 -9.758 1.00 0.00 C ATOM 1443 C GLU A 95 -14.882 -8.369 -9.462 1.00 0.00 C ATOM 1444 O GLU A 95 -15.193 -8.653 -8.302 1.00 0.00 O ATOM 1445 CB GLU A 95 -12.609 -7.622 -10.247 1.00 0.00 C ATOM 1446 CG GLU A 95 -11.994 -8.750 -9.428 1.00 0.00 C ATOM 1447 CD GLU A 95 -11.551 -8.319 -8.045 1.00 0.00 C ATOM 1448 OE1 GLU A 95 -10.402 -7.841 -7.905 1.00 0.00 O ATOM 1449 OE2 GLU A 95 -12.340 -8.470 -7.087 1.00 0.00 O ATOM 0 H GLU A 95 -14.083 -6.793 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.460 -6.574 -10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.693 -7.947 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.931 -6.769 -10.234 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.720 -9.557 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.137 -9.154 -9.966 1.00 0.00 H new