USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot -67:sc= 1.72 USER MOD Set 1.2: A 71 TYR OH : rot 3:sc= -2.16 USER MOD Set 1.3: A 75 HIS : no HD1:sc= -0.148 X(o=-0.59,f=-0.87) USER MOD Set 1.4: A 76 GLN : amide:sc=-0.000737 X(o=-0.59,f=-0.87) USER MOD Single : A 1 SER N :NH3+ -121:sc= 0.146 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 68:sc= -5.22! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= 0.334 F(o=-0.51,f=0.33) USER MOD Single : A 14 GLN : amide:sc= -11.6! C(o=-12!,f=-18!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.3) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 24 ASN : amide:sc= 0.32 K(o=0.32,f=-5.2!) USER MOD Single : A 25 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.247! USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 64 THR OG1 : rot -93:sc= 1.02 USER MOD Single : A 66 GLN : amide:sc= -3.43! C(o=-3.4!,f=-6.4!) USER MOD Single : A 73 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.481 -13.521 -8.694 1.00 0.00 N ATOM 2 CA SER A 1 -3.626 -13.880 -7.293 1.00 0.00 C ATOM 3 C SER A 1 -4.160 -12.686 -6.500 1.00 0.00 C ATOM 4 O SER A 1 -4.329 -11.598 -7.047 1.00 0.00 O ATOM 5 CB SER A 1 -2.295 -14.355 -6.706 1.00 0.00 C ATOM 6 OG SER A 1 -1.840 -15.558 -7.320 1.00 0.00 O ATOM 0 H1 SER A 1 -4.064 -14.155 -9.277 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.791 -12.538 -8.834 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.484 -13.613 -8.975 1.00 0.00 H new ATOM 0 HA SER A 1 -4.338 -14.703 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.544 -13.576 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.408 -14.515 -5.634 1.00 0.00 H new ATOM 0 HG SER A 1 -0.987 -15.828 -6.919 1.00 0.00 H new ATOM 12 N THR A 2 -4.411 -12.930 -5.222 1.00 0.00 N ATOM 13 CA THR A 2 -4.923 -11.888 -4.347 1.00 0.00 C ATOM 14 C THR A 2 -3.769 -11.158 -3.657 1.00 0.00 C ATOM 15 O THR A 2 -3.673 -11.162 -2.431 1.00 0.00 O ATOM 16 CB THR A 2 -5.906 -12.534 -3.368 1.00 0.00 C ATOM 17 OG1 THR A 2 -6.571 -11.427 -2.765 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.200 -13.226 -2.201 1.00 0.00 C ATOM 0 H THR A 2 -4.269 -13.834 -4.771 1.00 0.00 H new ATOM 0 HA THR A 2 -5.459 -11.124 -4.911 1.00 0.00 H new ATOM 0 HB THR A 2 -6.524 -13.258 -3.898 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.128 -10.976 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.943 -13.668 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.545 -14.009 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.608 -12.496 -1.649 1.00 0.00 H new ATOM 26 N ILE A 3 -2.924 -10.548 -4.474 1.00 0.00 N ATOM 27 CA ILE A 3 -1.781 -9.814 -3.958 1.00 0.00 C ATOM 28 C ILE A 3 -1.979 -8.320 -4.219 1.00 0.00 C ATOM 29 O ILE A 3 -1.866 -7.505 -3.305 1.00 0.00 O ATOM 30 CB ILE A 3 -0.479 -10.373 -4.537 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.636 -10.362 -3.489 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.079 -9.623 -5.809 1.00 0.00 C ATOM 33 CD1 ILE A 3 1.153 -8.941 -3.254 1.00 0.00 C ATOM 0 H ILE A 3 -3.008 -10.547 -5.491 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.703 -9.941 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.647 -11.413 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.264 -10.777 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.455 -11.001 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.849 -10.040 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.866 -9.727 -6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.066 -8.567 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.945 -8.961 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.547 -8.538 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.337 -8.310 -2.902 1.00 0.00 H new ATOM 45 N GLU A 4 -2.271 -8.005 -5.473 1.00 0.00 N ATOM 46 CA GLU A 4 -2.486 -6.623 -5.866 1.00 0.00 C ATOM 47 C GLU A 4 -3.963 -6.253 -5.722 1.00 0.00 C ATOM 48 O GLU A 4 -4.297 -5.243 -5.103 1.00 0.00 O ATOM 49 CB GLU A 4 -1.996 -6.377 -7.295 1.00 0.00 C ATOM 50 CG GLU A 4 -2.872 -7.116 -8.309 1.00 0.00 C ATOM 51 CD GLU A 4 -2.242 -7.084 -9.703 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.774 -8.121 -10.196 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.251 -5.929 -10.279 1.00 0.00 O ATOM 0 H GLU A 4 -2.364 -8.683 -6.229 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.905 -5.983 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.008 -5.308 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.962 -6.709 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.009 -8.150 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.861 -6.659 -8.342 1.00 0.00 H new ATOM 61 N GLU A 5 -4.810 -7.090 -6.303 1.00 0.00 N ATOM 62 CA GLU A 5 -6.244 -6.864 -6.246 1.00 0.00 C ATOM 63 C GLU A 5 -6.675 -6.550 -4.813 1.00 0.00 C ATOM 64 O GLU A 5 -7.637 -5.813 -4.598 1.00 0.00 O ATOM 65 CB GLU A 5 -7.011 -8.068 -6.798 1.00 0.00 C ATOM 66 CG GLU A 5 -6.352 -9.381 -6.370 1.00 0.00 C ATOM 67 CD GLU A 5 -7.354 -10.536 -6.413 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.992 -10.841 -5.394 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.459 -11.125 -7.556 1.00 0.00 O ATOM 0 H GLU A 5 -4.530 -7.926 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.482 -6.005 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.041 -8.041 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.047 -8.013 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.510 -9.601 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.952 -9.279 -5.361 1.00 0.00 H new ATOM 77 N ARG A 6 -5.944 -7.123 -3.869 1.00 0.00 N ATOM 78 CA ARG A 6 -6.239 -6.913 -2.462 1.00 0.00 C ATOM 79 C ARG A 6 -5.521 -5.663 -1.950 1.00 0.00 C ATOM 80 O ARG A 6 -6.081 -4.899 -1.164 1.00 0.00 O ATOM 81 CB ARG A 6 -5.810 -8.119 -1.623 1.00 0.00 C ATOM 82 CG ARG A 6 -6.986 -9.068 -1.385 1.00 0.00 C ATOM 83 CD ARG A 6 -6.562 -10.262 -0.527 1.00 0.00 C ATOM 84 NE ARG A 6 -6.415 -9.843 0.885 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.452 -9.640 1.726 1.00 0.00 C ATOM 86 NH1 ARG A 6 -8.722 -9.816 1.303 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.205 -9.267 2.968 1.00 0.00 N ATOM 0 H ARG A 6 -5.147 -7.733 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.317 -6.782 -2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.005 -8.651 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.414 -7.778 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.797 -8.531 -0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.372 -9.421 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.303 -11.057 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.620 -10.668 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.472 -9.699 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.904 -10.104 0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.499 -9.661 1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.243 -9.136 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.977 -9.109 3.616 1.00 0.00 H new ATOM 100 N VAL A 7 -4.293 -5.492 -2.416 1.00 0.00 N ATOM 101 CA VAL A 7 -3.493 -4.347 -2.015 1.00 0.00 C ATOM 102 C VAL A 7 -4.375 -3.098 -1.989 1.00 0.00 C ATOM 103 O VAL A 7 -4.483 -2.430 -0.961 1.00 0.00 O ATOM 104 CB VAL A 7 -2.282 -4.205 -2.940 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.796 -2.755 -2.988 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.154 -5.148 -2.516 1.00 0.00 C ATOM 0 H VAL A 7 -3.832 -6.127 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.101 -4.489 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.594 -4.487 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.935 -2.682 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.596 -2.115 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.510 -2.434 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.306 -5.027 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.845 -4.911 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.506 -6.179 -2.558 1.00 0.00 H new ATOM 116 N LYS A 8 -4.984 -2.818 -3.132 1.00 0.00 N ATOM 117 CA LYS A 8 -5.854 -1.661 -3.253 1.00 0.00 C ATOM 118 C LYS A 8 -6.701 -1.529 -1.986 1.00 0.00 C ATOM 119 O LYS A 8 -6.912 -0.424 -1.488 1.00 0.00 O ATOM 120 CB LYS A 8 -6.680 -1.743 -4.539 1.00 0.00 C ATOM 121 CG LYS A 8 -6.149 -0.773 -5.595 1.00 0.00 C ATOM 122 CD LYS A 8 -5.215 -1.487 -6.575 1.00 0.00 C ATOM 123 CE LYS A 8 -5.803 -1.493 -7.987 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.528 -2.784 -8.657 1.00 0.00 N ATOM 0 H LYS A 8 -4.892 -3.373 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.263 -0.749 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.653 -2.761 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.723 -1.513 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.983 -0.330 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.616 0.044 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.244 -0.992 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.048 -2.511 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.879 -1.323 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.376 -0.676 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.934 -2.772 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.500 -2.931 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.956 -3.557 -8.109 1.00 0.00 H new ATOM 137 N LYS A 9 -7.162 -2.672 -1.500 1.00 0.00 N ATOM 138 CA LYS A 9 -7.981 -2.699 -0.299 1.00 0.00 C ATOM 139 C LYS A 9 -7.129 -2.287 0.903 1.00 0.00 C ATOM 140 O LYS A 9 -7.539 -1.444 1.699 1.00 0.00 O ATOM 141 CB LYS A 9 -8.653 -4.064 -0.139 1.00 0.00 C ATOM 142 CG LYS A 9 -10.164 -3.913 0.045 1.00 0.00 C ATOM 143 CD LYS A 9 -10.847 -5.280 0.116 1.00 0.00 C ATOM 144 CE LYS A 9 -12.363 -5.145 -0.040 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.872 -6.124 -1.026 1.00 0.00 N ATOM 0 H LYS A 9 -6.984 -3.586 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.794 -1.977 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.449 -4.679 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.229 -4.584 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.369 -3.352 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.579 -3.338 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.454 -5.928 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.617 -5.756 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.849 -5.303 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.613 -4.134 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.902 -6.019 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.421 -5.955 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.650 -7.088 -0.704 1.00 0.00 H new ATOM 158 N ILE A 10 -5.959 -2.902 0.997 1.00 0.00 N ATOM 159 CA ILE A 10 -5.046 -2.610 2.089 1.00 0.00 C ATOM 160 C ILE A 10 -4.835 -1.098 2.181 1.00 0.00 C ATOM 161 O ILE A 10 -4.766 -0.543 3.277 1.00 0.00 O ATOM 162 CB ILE A 10 -3.748 -3.404 1.928 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.995 -4.903 2.109 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.666 -2.883 2.876 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.908 -5.726 1.415 1.00 0.00 C ATOM 0 H ILE A 10 -5.622 -3.601 0.335 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.473 -2.931 3.039 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.383 -3.259 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.017 -5.146 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.971 -5.166 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.754 -3.464 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.464 -1.835 2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.008 -2.978 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.108 -6.788 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.905 -5.499 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.936 -5.478 1.842 1.00 0.00 H new ATOM 177 N ILE A 11 -4.739 -0.474 1.017 1.00 0.00 N ATOM 178 CA ILE A 11 -4.537 0.964 0.952 1.00 0.00 C ATOM 179 C ILE A 11 -5.891 1.669 1.043 1.00 0.00 C ATOM 180 O ILE A 11 -5.965 2.831 1.440 1.00 0.00 O ATOM 181 CB ILE A 11 -3.732 1.337 -0.294 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.524 0.413 -0.464 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.326 2.812 -0.264 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.640 0.432 0.785 1.00 0.00 C ATOM 0 H ILE A 11 -4.797 -0.938 0.110 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.942 1.304 1.800 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.370 1.197 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.864 -0.604 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.942 0.725 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.755 3.051 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.220 3.435 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.714 3.003 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.789 -0.233 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.282 1.446 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.219 0.096 1.645 1.00 0.00 H new ATOM 196 N GLY A 12 -6.930 0.937 0.670 1.00 0.00 N ATOM 197 CA GLY A 12 -8.278 1.478 0.704 1.00 0.00 C ATOM 198 C GLY A 12 -9.015 1.034 1.970 1.00 0.00 C ATOM 199 O GLY A 12 -10.240 1.117 2.041 1.00 0.00 O ATOM 0 H GLY A 12 -6.866 -0.027 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.238 2.567 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.829 1.148 -0.177 1.00 0.00 H new ATOM 203 N GLN A 13 -8.236 0.573 2.938 1.00 0.00 N ATOM 204 CA GLN A 13 -8.799 0.117 4.197 1.00 0.00 C ATOM 205 C GLN A 13 -7.979 0.654 5.372 1.00 0.00 C ATOM 206 O GLN A 13 -8.532 1.217 6.315 1.00 0.00 O ATOM 207 CB GLN A 13 -8.882 -1.410 4.240 1.00 0.00 C ATOM 208 CG GLN A 13 -10.103 -1.915 3.468 1.00 0.00 C ATOM 209 CD GLN A 13 -11.396 -1.335 4.048 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.816 -1.948 5.151 1.00 0.00 O flip ATOM 211 NE2 GLN A 13 -11.973 -0.395 3.527 1.00 0.00 N flip ATOM 0 H GLN A 13 -7.220 0.506 2.875 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.814 0.506 4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.975 -1.839 3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.938 -1.746 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.014 -1.637 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.138 -3.004 3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.595 0.029 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.833 -0.033 3.938 1.00 0.00 H new ATOM 220 N GLN A 14 -6.671 0.461 5.275 1.00 0.00 N ATOM 221 CA GLN A 14 -5.769 0.919 6.318 1.00 0.00 C ATOM 222 C GLN A 14 -5.693 2.447 6.321 1.00 0.00 C ATOM 223 O GLN A 14 -6.126 3.092 7.275 1.00 0.00 O ATOM 224 CB GLN A 14 -4.379 0.302 6.150 1.00 0.00 C ATOM 225 CG GLN A 14 -3.850 -0.229 7.483 1.00 0.00 C ATOM 226 CD GLN A 14 -4.282 0.671 8.643 1.00 0.00 C ATOM 227 OE1 GLN A 14 -4.389 1.880 8.518 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.525 0.016 9.775 1.00 0.00 N ATOM 0 H GLN A 14 -6.215 -0.006 4.491 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.162 0.592 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.423 -0.509 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.691 1.049 5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.219 -1.242 7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.762 -0.287 7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.416 -0.998 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.820 0.527 10.607 1.00 0.00 H new ATOM 237 N LEU A 15 -5.140 2.983 5.243 1.00 0.00 N ATOM 238 CA LEU A 15 -5.003 4.423 5.109 1.00 0.00 C ATOM 239 C LEU A 15 -6.289 5.101 5.586 1.00 0.00 C ATOM 240 O LEU A 15 -6.254 5.953 6.472 1.00 0.00 O ATOM 241 CB LEU A 15 -4.607 4.793 3.678 1.00 0.00 C ATOM 242 CG LEU A 15 -3.328 4.144 3.147 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.579 5.094 2.210 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.443 3.656 4.295 1.00 0.00 C ATOM 0 H LEU A 15 -4.781 2.445 4.454 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.196 4.789 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.429 4.526 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.492 5.875 3.622 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.608 3.268 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.674 4.608 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.218 5.350 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.311 6.002 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.540 3.199 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.169 4.500 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.988 2.921 4.887 1.00 0.00 H new ATOM 256 N GLY A 16 -7.394 4.696 4.977 1.00 0.00 N ATOM 257 CA GLY A 16 -8.689 5.253 5.328 1.00 0.00 C ATOM 258 C GLY A 16 -9.326 5.959 4.129 1.00 0.00 C ATOM 259 O GLY A 16 -9.310 7.186 4.046 1.00 0.00 O ATOM 0 H GLY A 16 -7.419 3.989 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.348 4.458 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.574 5.958 6.151 1.00 0.00 H new ATOM 263 N VAL A 17 -9.872 5.153 3.230 1.00 0.00 N ATOM 264 CA VAL A 17 -10.513 5.685 2.040 1.00 0.00 C ATOM 265 C VAL A 17 -11.490 4.646 1.485 1.00 0.00 C ATOM 266 O VAL A 17 -11.674 3.584 2.077 1.00 0.00 O ATOM 267 CB VAL A 17 -9.454 6.113 1.022 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.667 7.324 1.526 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.516 4.952 0.685 1.00 0.00 C ATOM 0 H VAL A 17 -9.884 4.136 3.302 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.090 6.577 2.283 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.969 6.405 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.921 7.608 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.349 8.158 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.169 7.071 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.773 5.283 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.013 4.616 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.093 4.129 0.264 1.00 0.00 H new ATOM 279 N LYS A 18 -12.090 4.990 0.355 1.00 0.00 N ATOM 280 CA LYS A 18 -13.044 4.100 -0.286 1.00 0.00 C ATOM 281 C LYS A 18 -12.287 3.059 -1.112 1.00 0.00 C ATOM 282 O LYS A 18 -11.062 3.110 -1.211 1.00 0.00 O ATOM 283 CB LYS A 18 -14.065 4.903 -1.095 1.00 0.00 C ATOM 284 CG LYS A 18 -15.082 5.582 -0.175 1.00 0.00 C ATOM 285 CD LYS A 18 -14.517 6.882 0.402 1.00 0.00 C ATOM 286 CE LYS A 18 -14.553 6.864 1.931 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.833 8.218 2.459 1.00 0.00 N ATOM 0 H LYS A 18 -11.934 5.872 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.621 3.556 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.550 5.656 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.583 4.243 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.996 5.793 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.351 4.906 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.491 7.020 0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.093 7.730 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.318 6.168 2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.599 6.506 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.854 8.188 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.088 8.873 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.754 8.546 2.104 1.00 0.00 H new ATOM 300 N GLN A 19 -13.048 2.138 -1.685 1.00 0.00 N ATOM 301 CA GLN A 19 -12.464 1.085 -2.500 1.00 0.00 C ATOM 302 C GLN A 19 -12.776 1.324 -3.978 1.00 0.00 C ATOM 303 O GLN A 19 -13.258 0.426 -4.667 1.00 0.00 O ATOM 304 CB GLN A 19 -12.956 -0.292 -2.051 1.00 0.00 C ATOM 305 CG GLN A 19 -14.468 -0.425 -2.245 1.00 0.00 C ATOM 306 CD GLN A 19 -15.173 -0.668 -0.909 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.837 -0.095 0.114 1.00 0.00 O ATOM 308 NE2 GLN A 19 -16.168 -1.549 -0.975 1.00 0.00 N ATOM 0 H GLN A 19 -14.064 2.099 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.382 1.108 -2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.443 -1.068 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.706 -0.447 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.860 0.481 -2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.680 -1.248 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.398 -1.993 -1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.701 -1.780 -0.137 1.00 0.00 H new ATOM 317 N GLU A 20 -12.490 2.539 -4.422 1.00 0.00 N ATOM 318 CA GLU A 20 -12.734 2.907 -5.807 1.00 0.00 C ATOM 319 C GLU A 20 -11.725 3.963 -6.261 1.00 0.00 C ATOM 320 O GLU A 20 -11.148 3.852 -7.341 1.00 0.00 O ATOM 321 CB GLU A 20 -14.169 3.401 -5.998 1.00 0.00 C ATOM 322 CG GLU A 20 -14.483 4.556 -5.045 1.00 0.00 C ATOM 323 CD GLU A 20 -15.968 4.578 -4.680 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.825 4.385 -5.556 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.220 4.805 -3.435 1.00 0.00 O ATOM 0 H GLU A 20 -12.092 3.282 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.605 2.020 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.311 3.726 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.866 2.581 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.884 4.458 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.205 5.502 -5.510 1.00 0.00 H new ATOM 333 N GLU A 21 -11.543 4.965 -5.412 1.00 0.00 N ATOM 334 CA GLU A 21 -10.614 6.041 -5.713 1.00 0.00 C ATOM 335 C GLU A 21 -9.172 5.534 -5.637 1.00 0.00 C ATOM 336 O GLU A 21 -8.249 6.209 -6.090 1.00 0.00 O ATOM 337 CB GLU A 21 -10.828 7.229 -4.773 1.00 0.00 C ATOM 338 CG GLU A 21 -12.191 7.881 -5.016 1.00 0.00 C ATOM 339 CD GLU A 21 -12.030 9.288 -5.595 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.001 9.453 -6.824 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.933 10.231 -4.720 1.00 0.00 O ATOM 0 H GLU A 21 -12.023 5.054 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.804 6.386 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.760 6.895 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.037 7.964 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.775 7.267 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.747 7.931 -4.080 1.00 0.00 H new ATOM 349 N VAL A 22 -9.025 4.351 -5.060 1.00 0.00 N ATOM 350 CA VAL A 22 -7.711 3.746 -4.919 1.00 0.00 C ATOM 351 C VAL A 22 -7.394 2.928 -6.172 1.00 0.00 C ATOM 352 O VAL A 22 -7.946 1.846 -6.368 1.00 0.00 O ATOM 353 CB VAL A 22 -7.652 2.918 -3.633 1.00 0.00 C ATOM 354 CG1 VAL A 22 -6.265 2.301 -3.442 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.049 3.760 -2.420 1.00 0.00 C ATOM 0 H VAL A 22 -9.793 3.795 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.944 4.515 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.371 2.104 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.250 1.718 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.036 1.651 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.519 3.094 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.999 3.148 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.366 4.604 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.066 4.130 -2.551 1.00 0.00 H new ATOM 365 N THR A 23 -6.504 3.475 -6.987 1.00 0.00 N ATOM 366 CA THR A 23 -6.106 2.809 -8.216 1.00 0.00 C ATOM 367 C THR A 23 -4.664 2.312 -8.110 1.00 0.00 C ATOM 368 O THR A 23 -4.070 2.342 -7.033 1.00 0.00 O ATOM 369 CB THR A 23 -6.330 3.783 -9.375 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.237 4.693 -9.279 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.566 4.662 -9.172 1.00 0.00 C ATOM 0 H THR A 23 -6.047 4.372 -6.821 1.00 0.00 H new ATOM 0 HA THR A 23 -6.710 1.920 -8.398 1.00 0.00 H new ATOM 0 HB THR A 23 -6.432 3.223 -10.305 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.302 5.359 -9.995 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.678 5.334 -10.023 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.451 4.031 -9.088 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.450 5.248 -8.260 1.00 0.00 H new ATOM 379 N ASN A 24 -4.141 1.865 -9.242 1.00 0.00 N ATOM 380 CA ASN A 24 -2.778 1.362 -9.290 1.00 0.00 C ATOM 381 C ASN A 24 -1.848 2.468 -9.792 1.00 0.00 C ATOM 382 O ASN A 24 -0.793 2.187 -10.359 1.00 0.00 O ATOM 383 CB ASN A 24 -2.663 0.176 -10.250 1.00 0.00 C ATOM 384 CG ASN A 24 -3.383 0.466 -11.569 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.834 1.569 -11.830 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.464 -0.583 -12.383 1.00 0.00 N ATOM 0 H ASN A 24 -4.636 1.840 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.501 1.042 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.612 -0.038 -10.445 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.089 -0.714 -9.787 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.925 -0.492 -13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.065 -1.479 -12.102 1.00 0.00 H new ATOM 393 N ASN A 25 -2.272 3.702 -9.564 1.00 0.00 N ATOM 394 CA ASN A 25 -1.490 4.852 -9.985 1.00 0.00 C ATOM 395 C ASN A 25 -2.004 6.103 -9.271 1.00 0.00 C ATOM 396 O ASN A 25 -1.925 7.206 -9.809 1.00 0.00 O ATOM 397 CB ASN A 25 -1.617 5.082 -11.493 1.00 0.00 C ATOM 398 CG ASN A 25 -0.247 5.329 -12.128 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.444 6.286 -11.821 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.104 4.415 -13.027 1.00 0.00 N ATOM 0 H ASN A 25 -3.147 3.931 -9.093 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.447 4.659 -9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.086 4.215 -11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.268 5.936 -11.681 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.001 4.490 -13.508 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.523 3.638 -13.236 1.00 0.00 H new ATOM 407 N ALA A 26 -2.518 5.889 -8.068 1.00 0.00 N ATOM 408 CA ALA A 26 -3.045 6.986 -7.274 1.00 0.00 C ATOM 409 C ALA A 26 -2.064 7.310 -6.146 1.00 0.00 C ATOM 410 O ALA A 26 -2.005 6.596 -5.146 1.00 0.00 O ATOM 411 CB ALA A 26 -4.434 6.616 -6.751 1.00 0.00 C ATOM 0 H ALA A 26 -2.581 4.973 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.155 7.883 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.830 7.439 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.100 6.424 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.363 5.721 -6.132 1.00 0.00 H new ATOM 417 N SER A 27 -1.319 8.388 -6.344 1.00 0.00 N ATOM 418 CA SER A 27 -0.344 8.815 -5.356 1.00 0.00 C ATOM 419 C SER A 27 -1.053 9.221 -4.062 1.00 0.00 C ATOM 420 O SER A 27 -1.190 10.409 -3.772 1.00 0.00 O ATOM 421 CB SER A 27 0.503 9.975 -5.884 1.00 0.00 C ATOM 422 OG SER A 27 1.075 9.683 -7.156 1.00 0.00 O ATOM 0 H SER A 27 -1.371 8.978 -7.174 1.00 0.00 H new ATOM 0 HA SER A 27 0.323 7.978 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.115 10.869 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.298 10.197 -5.172 1.00 0.00 H new ATOM 0 HG SER A 27 1.606 10.449 -7.459 1.00 0.00 H new ATOM 428 N PHE A 28 -1.484 8.212 -3.320 1.00 0.00 N ATOM 429 CA PHE A 28 -2.176 8.449 -2.064 1.00 0.00 C ATOM 430 C PHE A 28 -1.597 9.667 -1.341 1.00 0.00 C ATOM 431 O PHE A 28 -2.341 10.478 -0.792 1.00 0.00 O ATOM 432 CB PHE A 28 -1.964 7.208 -1.196 1.00 0.00 C ATOM 433 CG PHE A 28 -3.180 6.826 -0.349 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.436 7.489 0.810 1.00 0.00 C ATOM 435 CD2 PHE A 28 -4.004 5.823 -0.755 1.00 0.00 C ATOM 436 CE1 PHE A 28 -4.564 7.135 1.596 1.00 0.00 C ATOM 437 CE2 PHE A 28 -5.132 5.469 0.031 1.00 0.00 C ATOM 438 CZ PHE A 28 -5.389 6.132 1.190 1.00 0.00 C ATOM 0 H PHE A 28 -1.368 7.228 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.233 8.639 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.704 6.367 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.114 7.380 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.781 8.285 1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.800 5.296 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.767 7.662 2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.786 4.673 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.247 5.863 1.788 1.00 0.00 H new ATOM 448 N VAL A 29 -0.276 9.758 -1.366 1.00 0.00 N ATOM 449 CA VAL A 29 0.411 10.863 -0.720 1.00 0.00 C ATOM 450 C VAL A 29 -0.374 12.155 -0.958 1.00 0.00 C ATOM 451 O VAL A 29 -1.077 12.632 -0.069 1.00 0.00 O ATOM 452 CB VAL A 29 1.857 10.942 -1.214 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.764 10.014 -0.404 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.943 10.627 -2.708 1.00 0.00 C ATOM 0 H VAL A 29 0.337 9.084 -1.824 1.00 0.00 H new ATOM 0 HA VAL A 29 0.459 10.705 0.357 1.00 0.00 H new ATOM 0 HB VAL A 29 2.207 11.964 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.786 10.089 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.737 10.305 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.416 8.986 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.981 10.690 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.566 9.621 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.343 11.346 -3.266 1.00 0.00 H new ATOM 464 N GLU A 30 -0.228 12.684 -2.164 1.00 0.00 N ATOM 465 CA GLU A 30 -0.914 13.911 -2.531 1.00 0.00 C ATOM 466 C GLU A 30 -2.272 13.592 -3.161 1.00 0.00 C ATOM 467 O GLU A 30 -3.280 14.204 -2.813 1.00 0.00 O ATOM 468 CB GLU A 30 -0.057 14.757 -3.475 1.00 0.00 C ATOM 469 CG GLU A 30 -0.715 16.111 -3.747 1.00 0.00 C ATOM 470 CD GLU A 30 -1.587 16.055 -5.003 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.810 15.881 -4.902 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.950 16.201 -6.116 1.00 0.00 O ATOM 0 H GLU A 30 0.355 12.285 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.083 14.494 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.930 14.909 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.089 14.224 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.323 16.402 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.053 16.875 -3.867 1.00 0.00 H new ATOM 480 N ASP A 31 -2.253 12.634 -4.077 1.00 0.00 N ATOM 481 CA ASP A 31 -3.470 12.227 -4.758 1.00 0.00 C ATOM 482 C ASP A 31 -4.630 12.220 -3.761 1.00 0.00 C ATOM 483 O ASP A 31 -5.575 12.996 -3.897 1.00 0.00 O ATOM 484 CB ASP A 31 -3.333 10.815 -5.333 1.00 0.00 C ATOM 485 CG ASP A 31 -4.488 10.368 -6.231 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.240 9.442 -5.892 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.603 11.022 -7.337 1.00 0.00 O ATOM 0 H ASP A 31 -1.414 12.129 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.654 12.931 -5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.406 10.760 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.241 10.110 -4.507 1.00 0.00 H new ATOM 493 N LEU A 32 -4.521 11.336 -2.780 1.00 0.00 N ATOM 494 CA LEU A 32 -5.549 11.219 -1.760 1.00 0.00 C ATOM 495 C LEU A 32 -5.128 12.015 -0.523 1.00 0.00 C ATOM 496 O LEU A 32 -5.333 13.226 -0.461 1.00 0.00 O ATOM 497 CB LEU A 32 -5.851 9.747 -1.470 1.00 0.00 C ATOM 498 CG LEU A 32 -6.717 9.024 -2.504 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.045 7.733 -2.976 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.125 8.771 -1.960 1.00 0.00 C ATOM 0 H LEU A 32 -3.736 10.694 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.486 11.650 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.905 9.213 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.346 9.682 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.820 9.671 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.681 7.239 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.083 7.969 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.892 7.070 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.720 8.256 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.063 8.154 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.596 9.722 -1.714 1.00 0.00 H new ATOM 512 N GLY A 33 -4.546 11.302 0.430 1.00 0.00 N ATOM 513 CA GLY A 33 -4.095 11.927 1.662 1.00 0.00 C ATOM 514 C GLY A 33 -3.516 10.888 2.624 1.00 0.00 C ATOM 515 O GLY A 33 -4.239 10.327 3.446 1.00 0.00 O ATOM 0 H GLY A 33 -4.376 10.298 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.340 12.680 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.928 12.444 2.138 1.00 0.00 H new ATOM 519 N ALA A 34 -2.217 10.663 2.490 1.00 0.00 N ATOM 520 CA ALA A 34 -1.533 9.701 3.337 1.00 0.00 C ATOM 521 C ALA A 34 -0.683 10.448 4.366 1.00 0.00 C ATOM 522 O ALA A 34 0.528 10.243 4.443 1.00 0.00 O ATOM 523 CB ALA A 34 -0.700 8.756 2.468 1.00 0.00 C ATOM 0 H ALA A 34 -1.620 11.131 1.807 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.253 9.091 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.187 8.034 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.354 8.228 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.035 9.332 1.906 1.00 0.00 H new ATOM 529 N ASP A 35 -1.350 11.299 5.132 1.00 0.00 N ATOM 530 CA ASP A 35 -0.670 12.078 6.153 1.00 0.00 C ATOM 531 C ASP A 35 -1.063 11.551 7.535 1.00 0.00 C ATOM 532 O ASP A 35 -0.991 12.280 8.524 1.00 0.00 O ATOM 533 CB ASP A 35 -1.070 13.553 6.078 1.00 0.00 C ATOM 534 CG ASP A 35 0.099 14.538 6.033 1.00 0.00 C ATOM 535 OD1 ASP A 35 0.956 14.553 6.929 1.00 0.00 O ATOM 536 OD2 ASP A 35 0.109 15.326 5.012 1.00 0.00 O ATOM 0 H ASP A 35 -2.354 11.466 5.066 1.00 0.00 H new ATOM 0 HA ASP A 35 0.404 11.987 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.686 13.702 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.692 13.790 6.941 1.00 0.00 H new ATOM 542 N SER A 36 -1.468 10.290 7.559 1.00 0.00 N ATOM 543 CA SER A 36 -1.872 9.658 8.804 1.00 0.00 C ATOM 544 C SER A 36 -2.199 8.183 8.559 1.00 0.00 C ATOM 545 O SER A 36 -3.149 7.864 7.846 1.00 0.00 O ATOM 546 CB SER A 36 -3.076 10.373 9.420 1.00 0.00 C ATOM 547 OG SER A 36 -3.054 10.325 10.844 1.00 0.00 O ATOM 0 H SER A 36 -1.525 9.689 6.737 1.00 0.00 H new ATOM 0 HA SER A 36 -1.043 9.729 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.087 11.413 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.995 9.914 9.056 1.00 0.00 H new ATOM 0 HG SER A 36 -3.838 10.794 11.199 1.00 0.00 H new ATOM 553 N LEU A 37 -1.393 7.323 9.165 1.00 0.00 N ATOM 554 CA LEU A 37 -1.584 5.890 9.022 1.00 0.00 C ATOM 555 C LEU A 37 -1.260 5.477 7.585 1.00 0.00 C ATOM 556 O LEU A 37 -1.690 4.420 7.127 1.00 0.00 O ATOM 557 CB LEU A 37 -2.990 5.490 9.474 1.00 0.00 C ATOM 558 CG LEU A 37 -3.577 6.298 10.633 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.827 7.061 10.192 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.849 5.402 11.844 1.00 0.00 C ATOM 0 H LEU A 37 -0.606 7.592 9.756 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.898 5.348 9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.663 5.575 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.972 4.439 9.762 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.840 7.039 10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.224 7.627 11.035 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.569 7.746 9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.580 6.355 9.842 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.266 6.001 12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.558 4.622 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.917 4.944 12.174 1.00 0.00 H new ATOM 572 N ASP A 38 -0.505 6.334 6.913 1.00 0.00 N ATOM 573 CA ASP A 38 -0.119 6.072 5.537 1.00 0.00 C ATOM 574 C ASP A 38 0.763 4.823 5.489 1.00 0.00 C ATOM 575 O ASP A 38 0.270 3.718 5.267 1.00 0.00 O ATOM 576 CB ASP A 38 0.683 7.239 4.958 1.00 0.00 C ATOM 577 CG ASP A 38 1.507 6.904 3.713 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.505 7.573 3.408 1.00 0.00 O ATOM 579 OD2 ASP A 38 1.080 5.894 3.033 1.00 0.00 O ATOM 0 H ASP A 38 -0.150 7.210 7.296 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.028 5.934 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.006 8.047 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.355 7.616 5.729 1.00 0.00 H new ATOM 585 N THR A 39 2.053 5.039 5.701 1.00 0.00 N ATOM 586 CA THR A 39 3.009 3.944 5.684 1.00 0.00 C ATOM 587 C THR A 39 2.918 3.138 6.981 1.00 0.00 C ATOM 588 O THR A 39 2.634 1.941 6.954 1.00 0.00 O ATOM 589 CB THR A 39 4.398 4.533 5.431 1.00 0.00 C ATOM 590 OG1 THR A 39 4.716 5.208 6.645 1.00 0.00 O ATOM 591 CG2 THR A 39 4.380 5.645 4.380 1.00 0.00 C ATOM 0 H THR A 39 2.459 5.956 5.886 1.00 0.00 H new ATOM 0 HA THR A 39 2.789 3.238 4.883 1.00 0.00 H new ATOM 0 HB THR A 39 5.075 3.741 5.110 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.603 5.618 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.391 6.028 4.239 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.007 5.247 3.436 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.729 6.452 4.716 1.00 0.00 H new ATOM 599 N VAL A 40 3.164 3.826 8.087 1.00 0.00 N ATOM 600 CA VAL A 40 3.114 3.188 9.391 1.00 0.00 C ATOM 601 C VAL A 40 2.055 2.084 9.374 1.00 0.00 C ATOM 602 O VAL A 40 2.386 0.901 9.432 1.00 0.00 O ATOM 603 CB VAL A 40 2.866 4.237 10.477 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.728 3.581 11.852 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.973 5.293 10.482 1.00 0.00 C ATOM 0 H VAL A 40 3.398 4.819 8.106 1.00 0.00 H new ATOM 0 HA VAL A 40 4.070 2.718 9.623 1.00 0.00 H new ATOM 0 HB VAL A 40 1.925 4.739 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.552 4.349 12.605 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.889 2.885 11.841 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.644 3.041 12.091 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.773 6.027 11.263 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.933 4.813 10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.003 5.793 9.514 1.00 0.00 H new ATOM 615 N GLU A 41 0.803 2.510 9.295 1.00 0.00 N ATOM 616 CA GLU A 41 -0.306 1.572 9.270 1.00 0.00 C ATOM 617 C GLU A 41 -0.147 0.593 8.105 1.00 0.00 C ATOM 618 O GLU A 41 -0.129 -0.620 8.307 1.00 0.00 O ATOM 619 CB GLU A 41 -1.645 2.308 9.187 1.00 0.00 C ATOM 620 CG GLU A 41 -2.462 2.104 10.465 1.00 0.00 C ATOM 621 CD GLU A 41 -1.728 2.669 11.682 1.00 0.00 C ATOM 622 OE1 GLU A 41 -2.087 2.351 12.825 1.00 0.00 O ATOM 623 OE2 GLU A 41 -0.750 3.465 11.408 1.00 0.00 O ATOM 0 H GLU A 41 0.532 3.492 9.247 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.297 1.005 10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.470 3.372 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.210 1.947 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.432 2.591 10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.653 1.041 10.613 1.00 0.00 H new ATOM 631 N LEU A 42 -0.035 1.156 6.911 1.00 0.00 N ATOM 632 CA LEU A 42 0.122 0.348 5.714 1.00 0.00 C ATOM 633 C LEU A 42 1.052 -0.829 6.017 1.00 0.00 C ATOM 634 O LEU A 42 0.754 -1.968 5.661 1.00 0.00 O ATOM 635 CB LEU A 42 0.586 1.213 4.540 1.00 0.00 C ATOM 636 CG LEU A 42 1.055 0.458 3.295 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.460 -0.113 3.495 1.00 0.00 C ATOM 638 CD2 LEU A 42 0.048 -0.624 2.899 1.00 0.00 C ATOM 0 H LEU A 42 -0.050 2.163 6.747 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.836 -0.073 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.234 1.872 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.402 1.849 4.883 1.00 0.00 H new ATOM 0 HG LEU A 42 1.111 1.166 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.768 -0.645 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.158 0.700 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.456 -0.802 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.405 -1.146 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.063 -1.335 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.916 -0.163 2.686 1.00 0.00 H new ATOM 650 N VAL A 43 2.160 -0.513 6.671 1.00 0.00 N ATOM 651 CA VAL A 43 3.136 -1.529 7.026 1.00 0.00 C ATOM 652 C VAL A 43 2.407 -2.772 7.540 1.00 0.00 C ATOM 653 O VAL A 43 2.538 -3.854 6.969 1.00 0.00 O ATOM 654 CB VAL A 43 4.138 -0.964 8.034 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.317 -1.918 8.229 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.620 0.425 7.608 1.00 0.00 C ATOM 0 H VAL A 43 2.404 0.433 6.964 1.00 0.00 H new ATOM 0 HA VAL A 43 3.712 -1.828 6.150 1.00 0.00 H new ATOM 0 HB VAL A 43 3.628 -0.862 8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.014 -1.492 8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.952 -2.876 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.826 -2.067 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.331 0.804 8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.104 0.359 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.768 1.102 7.545 1.00 0.00 H new ATOM 666 N MET A 44 1.654 -2.576 8.612 1.00 0.00 N ATOM 667 CA MET A 44 0.904 -3.667 9.210 1.00 0.00 C ATOM 668 C MET A 44 0.042 -4.378 8.164 1.00 0.00 C ATOM 669 O MET A 44 0.079 -5.603 8.053 1.00 0.00 O ATOM 670 CB MET A 44 0.008 -3.122 10.324 1.00 0.00 C ATOM 671 CG MET A 44 0.770 -3.036 11.648 1.00 0.00 C ATOM 672 SD MET A 44 1.283 -4.666 12.164 1.00 0.00 S ATOM 673 CE MET A 44 2.332 -4.239 13.543 1.00 0.00 C ATOM 0 H MET A 44 1.547 -1.677 9.082 1.00 0.00 H new ATOM 0 HA MET A 44 1.612 -4.387 9.621 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.361 -2.134 10.048 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.863 -3.766 10.443 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.641 -2.391 11.535 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.137 -2.586 12.413 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.739 -5.148 13.986 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.149 -3.607 13.196 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.749 -3.701 14.291 1.00 0.00 H new ATOM 683 N ALA A 45 -0.712 -3.579 7.424 1.00 0.00 N ATOM 684 CA ALA A 45 -1.581 -4.117 6.390 1.00 0.00 C ATOM 685 C ALA A 45 -0.749 -4.946 5.410 1.00 0.00 C ATOM 686 O ALA A 45 -0.850 -6.171 5.387 1.00 0.00 O ATOM 687 CB ALA A 45 -2.324 -2.970 5.701 1.00 0.00 C ATOM 0 H ALA A 45 -0.740 -2.564 7.519 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.331 -4.778 6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.976 -3.373 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.923 -2.432 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.603 -2.288 5.251 1.00 0.00 H new ATOM 693 N LEU A 46 0.055 -4.244 4.625 1.00 0.00 N ATOM 694 CA LEU A 46 0.904 -4.899 3.645 1.00 0.00 C ATOM 695 C LEU A 46 1.637 -6.066 4.311 1.00 0.00 C ATOM 696 O LEU A 46 2.049 -7.010 3.639 1.00 0.00 O ATOM 697 CB LEU A 46 1.838 -3.885 2.981 1.00 0.00 C ATOM 698 CG LEU A 46 1.343 -3.280 1.666 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.343 -2.257 1.123 1.00 0.00 C ATOM 700 CD2 LEU A 46 1.029 -4.373 0.643 1.00 0.00 C ATOM 0 H LEU A 46 0.136 -3.228 4.648 1.00 0.00 H new ATOM 0 HA LEU A 46 0.302 -5.318 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.021 -3.074 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.797 -4.370 2.797 1.00 0.00 H new ATOM 0 HG LEU A 46 0.413 -2.748 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.967 -1.842 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.474 -1.455 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.301 -2.744 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.679 -3.916 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.930 -4.954 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.254 -5.030 1.039 1.00 0.00 H new ATOM 712 N GLU A 47 1.777 -5.962 5.625 1.00 0.00 N ATOM 713 CA GLU A 47 2.453 -6.997 6.389 1.00 0.00 C ATOM 714 C GLU A 47 1.527 -8.198 6.591 1.00 0.00 C ATOM 715 O GLU A 47 1.887 -9.326 6.259 1.00 0.00 O ATOM 716 CB GLU A 47 2.947 -6.453 7.731 1.00 0.00 C ATOM 717 CG GLU A 47 4.337 -5.829 7.592 1.00 0.00 C ATOM 718 CD GLU A 47 5.361 -6.574 8.450 1.00 0.00 C ATOM 719 OE1 GLU A 47 5.711 -7.723 8.141 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.797 -5.918 9.472 1.00 0.00 O ATOM 0 H GLU A 47 1.434 -5.177 6.179 1.00 0.00 H new ATOM 0 HA GLU A 47 3.325 -7.327 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.246 -5.707 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.978 -7.258 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.647 -5.852 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.301 -4.781 7.891 1.00 0.00 H new ATOM 728 N GLU A 48 0.353 -7.914 7.135 1.00 0.00 N ATOM 729 CA GLU A 48 -0.627 -8.957 7.386 1.00 0.00 C ATOM 730 C GLU A 48 -0.814 -9.822 6.137 1.00 0.00 C ATOM 731 O GLU A 48 -1.051 -11.024 6.240 1.00 0.00 O ATOM 732 CB GLU A 48 -1.960 -8.359 7.843 1.00 0.00 C ATOM 733 CG GLU A 48 -2.290 -8.786 9.275 1.00 0.00 C ATOM 734 CD GLU A 48 -3.013 -10.134 9.292 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.038 -10.837 8.271 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.561 -10.444 10.418 1.00 0.00 O ATOM 0 H GLU A 48 0.058 -6.977 7.409 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.255 -9.591 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.914 -7.272 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.756 -8.680 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.372 -8.854 9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.914 -8.029 9.750 1.00 0.00 H new ATOM 744 N GLU A 49 -0.699 -9.175 4.987 1.00 0.00 N ATOM 745 CA GLU A 49 -0.852 -9.870 3.720 1.00 0.00 C ATOM 746 C GLU A 49 0.249 -10.919 3.553 1.00 0.00 C ATOM 747 O GLU A 49 0.075 -12.073 3.942 1.00 0.00 O ATOM 748 CB GLU A 49 -0.851 -8.883 2.550 1.00 0.00 C ATOM 749 CG GLU A 49 -0.875 -9.622 1.210 1.00 0.00 C ATOM 750 CD GLU A 49 -0.495 -8.685 0.061 1.00 0.00 C ATOM 751 OE1 GLU A 49 -1.178 -8.665 -0.974 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.551 -7.960 0.272 1.00 0.00 O ATOM 0 H GLU A 49 -0.502 -8.178 4.906 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.815 -10.380 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.718 -8.226 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.034 -8.250 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.183 -10.463 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.869 -10.033 1.035 1.00 0.00 H new ATOM 760 N PHE A 50 1.357 -10.481 2.975 1.00 0.00 N ATOM 761 CA PHE A 50 2.486 -11.368 2.752 1.00 0.00 C ATOM 762 C PHE A 50 3.473 -11.303 3.920 1.00 0.00 C ATOM 763 O PHE A 50 4.096 -12.306 4.267 1.00 0.00 O ATOM 764 CB PHE A 50 3.188 -10.888 1.480 1.00 0.00 C ATOM 765 CG PHE A 50 2.942 -11.778 0.261 1.00 0.00 C ATOM 766 CD1 PHE A 50 1.737 -12.386 0.094 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.929 -11.962 -0.657 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.509 -13.212 -1.038 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.701 -12.788 -1.789 1.00 0.00 C ATOM 770 CZ PHE A 50 2.496 -13.395 -1.956 1.00 0.00 C ATOM 0 H PHE A 50 1.497 -9.523 2.654 1.00 0.00 H new ATOM 0 HA PHE A 50 2.138 -12.397 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.853 -9.876 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.260 -10.834 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.953 -12.240 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.886 -11.480 -0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.552 -13.695 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.485 -12.934 -2.517 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.322 -14.023 -2.818 1.00 0.00 H new ATOM 780 N ASP A 51 3.584 -10.114 4.494 1.00 0.00 N ATOM 781 CA ASP A 51 4.484 -9.906 5.616 1.00 0.00 C ATOM 782 C ASP A 51 5.881 -9.576 5.088 1.00 0.00 C ATOM 783 O ASP A 51 6.749 -10.446 5.032 1.00 0.00 O ATOM 784 CB ASP A 51 4.589 -11.165 6.479 1.00 0.00 C ATOM 785 CG ASP A 51 4.978 -10.919 7.938 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.168 -10.843 8.278 1.00 0.00 O ATOM 787 OD2 ASP A 51 3.986 -10.802 8.754 1.00 0.00 O ATOM 0 H ASP A 51 3.066 -9.285 4.203 1.00 0.00 H new ATOM 0 HA ASP A 51 4.089 -9.088 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.630 -11.683 6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.324 -11.834 6.031 1.00 0.00 H new ATOM 793 N THR A 52 6.056 -8.317 4.715 1.00 0.00 N ATOM 794 CA THR A 52 7.333 -7.861 4.194 1.00 0.00 C ATOM 795 C THR A 52 7.761 -6.566 4.887 1.00 0.00 C ATOM 796 O THR A 52 8.685 -5.892 4.435 1.00 0.00 O ATOM 797 CB THR A 52 7.202 -7.722 2.675 1.00 0.00 C ATOM 798 OG1 THR A 52 8.444 -7.152 2.270 1.00 0.00 O ATOM 799 CG2 THR A 52 6.162 -6.676 2.271 1.00 0.00 C ATOM 0 H THR A 52 5.334 -7.598 4.763 1.00 0.00 H new ATOM 0 HA THR A 52 8.124 -8.581 4.403 1.00 0.00 H new ATOM 0 HB THR A 52 6.933 -8.686 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.512 -6.237 2.614 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.109 -6.617 1.184 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.187 -6.960 2.667 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.448 -5.704 2.673 1.00 0.00 H new ATOM 807 N GLU A 53 7.068 -6.258 5.974 1.00 0.00 N ATOM 808 CA GLU A 53 7.365 -5.056 6.735 1.00 0.00 C ATOM 809 C GLU A 53 7.808 -3.931 5.797 1.00 0.00 C ATOM 810 O GLU A 53 9.002 -3.677 5.648 1.00 0.00 O ATOM 811 CB GLU A 53 8.426 -5.331 7.802 1.00 0.00 C ATOM 812 CG GLU A 53 9.495 -6.292 7.278 1.00 0.00 C ATOM 813 CD GLU A 53 8.956 -7.722 7.202 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.151 -8.128 8.055 1.00 0.00 O ATOM 815 OE2 GLU A 53 9.401 -8.421 6.214 1.00 0.00 O ATOM 0 H GLU A 53 6.302 -6.820 6.346 1.00 0.00 H new ATOM 0 HA GLU A 53 6.457 -4.739 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.892 -4.394 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.954 -5.755 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.825 -5.971 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.367 -6.262 7.931 1.00 0.00 H new ATOM 823 N ILE A 54 6.821 -3.287 5.191 1.00 0.00 N ATOM 824 CA ILE A 54 7.094 -2.194 4.272 1.00 0.00 C ATOM 825 C ILE A 54 8.113 -1.244 4.905 1.00 0.00 C ATOM 826 O ILE A 54 7.805 -0.556 5.877 1.00 0.00 O ATOM 827 CB ILE A 54 5.792 -1.509 3.853 1.00 0.00 C ATOM 828 CG1 ILE A 54 5.682 -1.428 2.329 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.659 -0.135 4.511 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.010 -0.994 1.705 1.00 0.00 C ATOM 0 H ILE A 54 5.832 -3.501 5.318 1.00 0.00 H new ATOM 0 HA ILE A 54 7.539 -2.572 3.351 1.00 0.00 H new ATOM 0 HB ILE A 54 4.958 -2.116 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.389 -2.399 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.899 -0.721 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.725 0.330 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.660 -0.249 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.497 0.495 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.904 -0.945 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.288 -0.012 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.785 -1.716 1.961 1.00 0.00 H new ATOM 842 N PRO A 55 9.337 -1.237 4.313 1.00 0.00 N ATOM 843 CA PRO A 55 10.403 -0.383 4.808 1.00 0.00 C ATOM 844 C PRO A 55 10.165 1.076 4.413 1.00 0.00 C ATOM 845 O PRO A 55 9.655 1.354 3.329 1.00 0.00 O ATOM 846 CB PRO A 55 11.678 -0.959 4.213 1.00 0.00 C ATOM 847 CG PRO A 55 11.238 -1.823 3.043 1.00 0.00 C ATOM 848 CD PRO A 55 9.738 -2.039 3.160 1.00 0.00 C ATOM 0 HA PRO A 55 10.459 -0.369 5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.348 -0.165 3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.222 -1.548 4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.481 -1.338 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.763 -2.778 3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.220 -1.719 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.500 -3.092 3.308 1.00 0.00 H new ATOM 856 N ASP A 56 10.546 1.970 5.314 1.00 0.00 N ATOM 857 CA ASP A 56 10.380 3.393 5.073 1.00 0.00 C ATOM 858 C ASP A 56 11.133 3.781 3.799 1.00 0.00 C ATOM 859 O ASP A 56 10.558 4.381 2.893 1.00 0.00 O ATOM 860 CB ASP A 56 10.951 4.217 6.229 1.00 0.00 C ATOM 861 CG ASP A 56 10.143 5.464 6.594 1.00 0.00 C ATOM 862 OD1 ASP A 56 10.701 6.557 6.773 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.871 5.279 6.696 1.00 0.00 O ATOM 0 H ASP A 56 10.969 1.736 6.212 1.00 0.00 H new ATOM 0 HA ASP A 56 9.314 3.597 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.023 3.579 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.965 4.522 5.972 1.00 0.00 H new ATOM 869 N GLU A 57 12.408 3.422 3.771 1.00 0.00 N ATOM 870 CA GLU A 57 13.246 3.725 2.623 1.00 0.00 C ATOM 871 C GLU A 57 12.451 3.556 1.326 1.00 0.00 C ATOM 872 O GLU A 57 12.715 4.238 0.338 1.00 0.00 O ATOM 873 CB GLU A 57 14.502 2.852 2.614 1.00 0.00 C ATOM 874 CG GLU A 57 14.198 1.461 2.052 1.00 0.00 C ATOM 875 CD GLU A 57 15.292 0.463 2.440 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.790 0.500 3.574 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.620 -0.373 1.514 1.00 0.00 O ATOM 0 H GLU A 57 12.881 2.924 4.525 1.00 0.00 H new ATOM 0 HA GLU A 57 13.567 4.764 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.277 3.329 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.894 2.761 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.235 1.115 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.116 1.513 0.966 1.00 0.00 H new ATOM 885 N GLU A 58 11.493 2.642 1.372 1.00 0.00 N ATOM 886 CA GLU A 58 10.658 2.374 0.214 1.00 0.00 C ATOM 887 C GLU A 58 9.275 3.003 0.399 1.00 0.00 C ATOM 888 O GLU A 58 8.701 3.538 -0.548 1.00 0.00 O ATOM 889 CB GLU A 58 10.546 0.870 -0.045 1.00 0.00 C ATOM 890 CG GLU A 58 10.891 0.537 -1.498 1.00 0.00 C ATOM 891 CD GLU A 58 9.729 -0.183 -2.186 1.00 0.00 C ATOM 892 OE1 GLU A 58 8.591 -0.130 -1.698 1.00 0.00 O ATOM 893 OE2 GLU A 58 10.043 -0.813 -3.267 1.00 0.00 O ATOM 0 H GLU A 58 11.277 2.078 2.194 1.00 0.00 H new ATOM 0 HA GLU A 58 11.127 2.826 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.216 0.331 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.534 0.533 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.127 1.454 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.782 -0.090 -1.530 1.00 0.00 H new ATOM 901 N ALA A 59 8.781 2.917 1.626 1.00 0.00 N ATOM 902 CA ALA A 59 7.477 3.471 1.947 1.00 0.00 C ATOM 903 C ALA A 59 7.469 4.966 1.624 1.00 0.00 C ATOM 904 O ALA A 59 6.417 5.539 1.342 1.00 0.00 O ATOM 905 CB ALA A 59 7.150 3.190 3.415 1.00 0.00 C ATOM 0 H ALA A 59 9.260 2.472 2.409 1.00 0.00 H new ATOM 0 HA ALA A 59 6.701 2.999 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.172 3.606 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.139 2.114 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.906 3.650 4.051 1.00 0.00 H new ATOM 911 N GLU A 60 8.654 5.557 1.676 1.00 0.00 N ATOM 912 CA GLU A 60 8.797 6.975 1.393 1.00 0.00 C ATOM 913 C GLU A 60 9.228 7.185 -0.060 1.00 0.00 C ATOM 914 O GLU A 60 9.354 8.320 -0.516 1.00 0.00 O ATOM 915 CB GLU A 60 9.786 7.630 2.358 1.00 0.00 C ATOM 916 CG GLU A 60 9.147 8.821 3.075 1.00 0.00 C ATOM 917 CD GLU A 60 10.060 10.047 3.023 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.605 10.369 1.957 1.00 0.00 O ATOM 919 OE2 GLU A 60 10.195 10.674 4.142 1.00 0.00 O ATOM 0 H GLU A 60 9.524 5.079 1.910 1.00 0.00 H new ATOM 0 HA GLU A 60 7.828 7.454 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.123 6.898 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.668 7.961 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.189 9.057 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.944 8.558 4.113 1.00 0.00 H new ATOM 927 N LYS A 61 9.441 6.072 -0.747 1.00 0.00 N ATOM 928 CA LYS A 61 9.855 6.120 -2.139 1.00 0.00 C ATOM 929 C LYS A 61 8.723 5.590 -3.022 1.00 0.00 C ATOM 930 O LYS A 61 8.770 5.723 -4.244 1.00 0.00 O ATOM 931 CB LYS A 61 11.180 5.380 -2.330 1.00 0.00 C ATOM 932 CG LYS A 61 12.366 6.338 -2.196 1.00 0.00 C ATOM 933 CD LYS A 61 12.740 6.940 -3.552 1.00 0.00 C ATOM 934 CE LYS A 61 12.889 8.460 -3.455 1.00 0.00 C ATOM 935 NZ LYS A 61 14.319 8.841 -3.437 1.00 0.00 N ATOM 0 H LYS A 61 9.335 5.132 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 61 10.044 7.149 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.266 4.583 -1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.199 4.907 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.117 7.136 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.222 5.806 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.674 6.501 -3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.975 6.692 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.391 8.935 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.399 8.822 -2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.402 9.876 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.785 8.403 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.777 8.512 -4.311 1.00 0.00 H new ATOM 948 N ILE A 62 7.732 5.002 -2.369 1.00 0.00 N ATOM 949 CA ILE A 62 6.589 4.452 -3.079 1.00 0.00 C ATOM 950 C ILE A 62 5.575 5.566 -3.345 1.00 0.00 C ATOM 951 O ILE A 62 5.153 5.767 -4.483 1.00 0.00 O ATOM 952 CB ILE A 62 6.008 3.260 -2.316 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.404 3.704 -0.982 1.00 0.00 C ATOM 954 CG2 ILE A 62 7.057 2.162 -2.133 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.852 2.508 -0.205 1.00 0.00 C ATOM 0 H ILE A 62 7.696 4.894 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 62 6.895 4.061 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 62 5.199 2.836 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.163 4.211 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.606 4.425 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.618 1.327 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.398 1.819 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.903 2.557 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.429 2.851 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.076 2.018 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.657 1.801 -0.006 1.00 0.00 H new ATOM 967 N THR A 63 5.213 6.261 -2.276 1.00 0.00 N ATOM 968 CA THR A 63 4.257 7.350 -2.380 1.00 0.00 C ATOM 969 C THR A 63 3.120 6.971 -3.332 1.00 0.00 C ATOM 970 O THR A 63 2.493 7.842 -3.933 1.00 0.00 O ATOM 971 CB THR A 63 5.015 8.607 -2.810 1.00 0.00 C ATOM 972 OG1 THR A 63 5.153 8.464 -4.221 1.00 0.00 O ATOM 973 CG2 THR A 63 6.456 8.626 -2.296 1.00 0.00 C ATOM 0 H THR A 63 5.565 6.091 -1.334 1.00 0.00 H new ATOM 0 HA THR A 63 3.783 7.553 -1.420 1.00 0.00 H new ATOM 0 HB THR A 63 4.488 9.490 -2.448 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.633 9.238 -4.583 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.949 9.539 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.454 8.591 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.993 7.761 -2.685 1.00 0.00 H new ATOM 981 N THR A 64 2.888 5.671 -3.439 1.00 0.00 N ATOM 982 CA THR A 64 1.838 5.167 -4.307 1.00 0.00 C ATOM 983 C THR A 64 1.389 3.778 -3.849 1.00 0.00 C ATOM 984 O THR A 64 2.056 3.143 -3.033 1.00 0.00 O ATOM 985 CB THR A 64 2.360 5.193 -5.745 1.00 0.00 C ATOM 986 OG1 THR A 64 3.582 4.463 -5.684 1.00 0.00 O ATOM 987 CG2 THR A 64 2.785 6.594 -6.188 1.00 0.00 C ATOM 0 H THR A 64 3.410 4.951 -2.939 1.00 0.00 H new ATOM 0 HA THR A 64 0.948 5.795 -4.257 1.00 0.00 H new ATOM 0 HB THR A 64 1.589 4.818 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.327 5.083 -5.538 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.147 6.556 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.931 7.269 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.580 6.956 -5.536 1.00 0.00 H new ATOM 995 N VAL A 65 0.261 3.346 -4.394 1.00 0.00 N ATOM 996 CA VAL A 65 -0.286 2.044 -4.051 1.00 0.00 C ATOM 997 C VAL A 65 0.351 0.978 -4.944 1.00 0.00 C ATOM 998 O VAL A 65 0.418 -0.192 -4.570 1.00 0.00 O ATOM 999 CB VAL A 65 -1.812 2.075 -4.151 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.419 0.754 -3.673 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.390 3.258 -3.372 1.00 0.00 C ATOM 0 H VAL A 65 -0.289 3.875 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.047 1.788 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.076 2.205 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.505 0.802 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.045 -0.063 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.140 0.581 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.476 3.256 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.111 3.173 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.995 4.189 -3.778 1.00 0.00 H new ATOM 1011 N GLN A 66 0.803 1.420 -6.109 1.00 0.00 N ATOM 1012 CA GLN A 66 1.432 0.518 -7.059 1.00 0.00 C ATOM 1013 C GLN A 66 2.804 0.078 -6.544 1.00 0.00 C ATOM 1014 O GLN A 66 3.097 -1.115 -6.489 1.00 0.00 O ATOM 1015 CB GLN A 66 1.546 1.168 -8.439 1.00 0.00 C ATOM 1016 CG GLN A 66 2.377 0.300 -9.386 1.00 0.00 C ATOM 1017 CD GLN A 66 2.140 -1.187 -9.118 1.00 0.00 C ATOM 1018 OE1 GLN A 66 3.060 -1.960 -8.901 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.860 -1.545 -9.145 1.00 0.00 N ATOM 0 H GLN A 66 0.746 2.391 -6.416 1.00 0.00 H new ATOM 0 HA GLN A 66 0.804 -0.367 -7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.551 1.319 -8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.005 2.152 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.118 0.533 -10.419 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.435 0.531 -9.262 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.139 -0.848 -9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.599 -2.517 -8.978 1.00 0.00 H new ATOM 1028 N ALA A 67 3.608 1.066 -6.181 1.00 0.00 N ATOM 1029 CA ALA A 67 4.943 0.797 -5.673 1.00 0.00 C ATOM 1030 C ALA A 67 4.857 -0.245 -4.556 1.00 0.00 C ATOM 1031 O ALA A 67 5.760 -1.066 -4.397 1.00 0.00 O ATOM 1032 CB ALA A 67 5.584 2.104 -5.203 1.00 0.00 C ATOM 0 H ALA A 67 3.361 2.054 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 67 5.578 0.388 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.585 1.902 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.648 2.800 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.977 2.543 -4.412 1.00 0.00 H new ATOM 1038 N ALA A 68 3.764 -0.179 -3.810 1.00 0.00 N ATOM 1039 CA ALA A 68 3.549 -1.107 -2.713 1.00 0.00 C ATOM 1040 C ALA A 68 3.273 -2.502 -3.276 1.00 0.00 C ATOM 1041 O ALA A 68 3.502 -3.504 -2.602 1.00 0.00 O ATOM 1042 CB ALA A 68 2.408 -0.598 -1.830 1.00 0.00 C ATOM 0 H ALA A 68 3.018 0.503 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 68 4.440 -1.175 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.247 -1.294 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.667 0.383 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.497 -0.519 -2.423 1.00 0.00 H new ATOM 1048 N ILE A 69 2.783 -2.521 -4.508 1.00 0.00 N ATOM 1049 CA ILE A 69 2.473 -3.777 -5.169 1.00 0.00 C ATOM 1050 C ILE A 69 3.732 -4.312 -5.855 1.00 0.00 C ATOM 1051 O ILE A 69 4.101 -5.470 -5.668 1.00 0.00 O ATOM 1052 CB ILE A 69 1.284 -3.604 -6.116 1.00 0.00 C ATOM 1053 CG1 ILE A 69 0.030 -3.179 -5.349 1.00 0.00 C ATOM 1054 CG2 ILE A 69 1.050 -4.872 -6.940 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.070 -2.719 -6.308 1.00 0.00 C ATOM 0 H ILE A 69 2.594 -1.687 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 69 2.164 -4.526 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 69 1.519 -2.804 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.332 -4.012 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.277 -2.372 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.199 -4.722 -7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.939 -5.091 -7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.845 -5.708 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.950 -2.423 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.713 -1.870 -6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.332 -3.536 -6.980 1.00 0.00 H new ATOM 1067 N ASP A 70 4.357 -3.442 -6.635 1.00 0.00 N ATOM 1068 CA ASP A 70 5.567 -3.813 -7.350 1.00 0.00 C ATOM 1069 C ASP A 70 6.647 -4.211 -6.342 1.00 0.00 C ATOM 1070 O ASP A 70 7.593 -4.918 -6.688 1.00 0.00 O ATOM 1071 CB ASP A 70 6.100 -2.640 -8.176 1.00 0.00 C ATOM 1072 CG ASP A 70 7.421 -2.906 -8.899 1.00 0.00 C ATOM 1073 OD1 ASP A 70 8.471 -3.091 -8.265 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.345 -2.921 -10.187 1.00 0.00 O ATOM 0 H ASP A 70 4.049 -2.482 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 70 5.326 -4.642 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.348 -2.364 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.230 -1.781 -7.518 1.00 0.00 H new ATOM 1080 N TYR A 71 6.471 -3.740 -5.117 1.00 0.00 N ATOM 1081 CA TYR A 71 7.419 -4.038 -4.057 1.00 0.00 C ATOM 1082 C TYR A 71 7.173 -5.432 -3.477 1.00 0.00 C ATOM 1083 O TYR A 71 8.117 -6.182 -3.230 1.00 0.00 O ATOM 1084 CB TYR A 71 7.173 -2.994 -2.965 1.00 0.00 C ATOM 1085 CG TYR A 71 7.535 -3.470 -1.557 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.848 -3.758 -1.242 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.549 -3.610 -0.601 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.188 -4.205 0.084 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.890 -4.058 0.724 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.193 -4.333 1.001 1.00 0.00 C ATOM 1091 OH TYR A 71 8.514 -4.756 2.253 1.00 0.00 O ATOM 0 H TYR A 71 5.686 -3.154 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 71 8.440 -4.013 -4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.752 -2.099 -3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.122 -2.707 -2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.620 -3.648 -1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.522 -3.384 -0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.211 -4.433 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.128 -4.173 1.481 1.00 0.00 H new ATOM 0 HH TYR A 71 9.485 -4.869 2.321 1.00 0.00 H new ATOM 1101 N ILE A 72 5.899 -5.738 -3.276 1.00 0.00 N ATOM 1102 CA ILE A 72 5.517 -7.029 -2.730 1.00 0.00 C ATOM 1103 C ILE A 72 5.760 -8.115 -3.780 1.00 0.00 C ATOM 1104 O ILE A 72 5.952 -9.281 -3.440 1.00 0.00 O ATOM 1105 CB ILE A 72 4.078 -6.987 -2.211 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.869 -5.798 -1.272 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.694 -8.313 -1.552 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.990 -6.227 0.192 1.00 0.00 C ATOM 0 H ILE A 72 5.119 -5.114 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 72 6.136 -7.275 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 72 3.412 -6.846 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.605 -5.024 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.886 -5.361 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.667 -8.256 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.779 -9.119 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.362 -8.509 -0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.837 -5.363 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.237 -6.983 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.983 -6.641 0.369 1.00 0.00 H new ATOM 1120 N ASN A 73 5.745 -7.692 -5.036 1.00 0.00 N ATOM 1121 CA ASN A 73 5.962 -8.614 -6.138 1.00 0.00 C ATOM 1122 C ASN A 73 7.457 -8.683 -6.454 1.00 0.00 C ATOM 1123 O ASN A 73 7.973 -9.742 -6.808 1.00 0.00 O ATOM 1124 CB ASN A 73 5.234 -8.145 -7.399 1.00 0.00 C ATOM 1125 CG ASN A 73 3.951 -8.949 -7.623 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.962 -10.052 -8.143 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.848 -8.335 -7.202 1.00 0.00 N ATOM 0 H ASN A 73 5.586 -6.724 -5.315 1.00 0.00 H new ATOM 0 HA ASN A 73 5.578 -9.590 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.993 -7.086 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.890 -8.252 -8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.940 -8.789 -7.306 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.910 -7.411 -6.775 1.00 0.00 H new ATOM 1134 N GLY A 74 8.112 -7.539 -6.314 1.00 0.00 N ATOM 1135 CA GLY A 74 9.538 -7.456 -6.580 1.00 0.00 C ATOM 1136 C GLY A 74 10.350 -7.762 -5.319 1.00 0.00 C ATOM 1137 O GLY A 74 11.523 -7.403 -5.229 1.00 0.00 O ATOM 0 H GLY A 74 7.681 -6.662 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.806 -8.159 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.786 -6.459 -6.944 1.00 0.00 H new ATOM 1141 N HIS A 75 9.693 -8.423 -4.377 1.00 0.00 N ATOM 1142 CA HIS A 75 10.338 -8.781 -3.126 1.00 0.00 C ATOM 1143 C HIS A 75 11.017 -10.145 -3.271 1.00 0.00 C ATOM 1144 O HIS A 75 12.178 -10.306 -2.899 1.00 0.00 O ATOM 1145 CB HIS A 75 9.340 -8.736 -1.967 1.00 0.00 C ATOM 1146 CG HIS A 75 9.896 -9.242 -0.657 1.00 0.00 C ATOM 1147 ND1 HIS A 75 10.451 -8.406 0.295 1.00 0.00 N ATOM 1148 CD2 HIS A 75 9.975 -10.507 -0.152 1.00 0.00 C ATOM 1149 CE1 HIS A 75 10.845 -9.144 1.322 1.00 0.00 C ATOM 1150 NE2 HIS A 75 10.549 -10.446 1.043 1.00 0.00 N ATOM 0 H HIS A 75 8.720 -8.720 -4.456 1.00 0.00 H new ATOM 0 HA HIS A 75 11.112 -8.051 -2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.000 -7.709 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.465 -9.329 -2.232 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.629 -11.405 -0.642 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.318 -8.779 2.222 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.738 -11.242 1.653 1.00 0.00 H new ATOM 1158 N GLN A 76 10.264 -11.091 -3.812 1.00 0.00 N ATOM 1159 CA GLN A 76 10.778 -12.435 -4.010 1.00 0.00 C ATOM 1160 C GLN A 76 11.469 -12.543 -5.371 1.00 0.00 C ATOM 1161 O GLN A 76 10.819 -12.803 -6.382 1.00 0.00 O ATOM 1162 CB GLN A 76 9.663 -13.474 -3.877 1.00 0.00 C ATOM 1163 CG GLN A 76 9.471 -13.888 -2.417 1.00 0.00 C ATOM 1164 CD GLN A 76 7.991 -14.119 -2.103 1.00 0.00 C ATOM 1165 OE1 GLN A 76 7.421 -15.157 -2.399 1.00 0.00 O ATOM 1166 NE2 GLN A 76 7.403 -13.097 -1.488 1.00 0.00 N ATOM 0 H GLN A 76 9.301 -10.953 -4.120 1.00 0.00 H new ATOM 0 HA GLN A 76 11.514 -12.640 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.731 -13.065 -4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.904 -14.350 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.036 -14.799 -2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.869 -13.115 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.939 -12.257 -1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.416 -13.153 -1.235 1.00 0.00 H new ATOM 1175 N ALA A 77 12.778 -12.338 -5.352 1.00 0.00 N ATOM 1176 CA ALA A 77 13.564 -12.409 -6.572 1.00 0.00 C ATOM 1177 C ALA A 77 14.031 -13.849 -6.789 1.00 0.00 C ATOM 1178 O ALA A 77 15.048 -14.266 -6.237 1.00 0.00 O ATOM 1179 CB ALA A 77 14.731 -11.424 -6.486 1.00 0.00 C ATOM 0 H ALA A 77 13.314 -12.123 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 77 12.961 -12.125 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.320 -11.477 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.345 -10.412 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.361 -11.679 -5.634 1.00 0.00 H new TER 1185 ALA A 77