USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 805 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -53:sc= 0.283 USER MOD Single : A 5 SER OG : rot 63:sc= 0.649 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.73) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.59! C(o=-2.6!,f=-2.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -34:sc= 0.413 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 47:sc= 0.0399 USER MOD Single : A 42 SER OG : rot 18:sc= 0.544 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0052 USER MOD Single : A 56 HIS : no HD1:sc= -0.646 K(o=-0.65,f=-0.12) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 164:sc= -0.0252 (180deg=-0.333) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -7.95! C(o=-8!,f=-7.3!) USER MOD Single : A 67 SER OG : rot -78:sc= 0.913 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -26:sc= 0.734 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 83:sc= -3.03 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 87 ASN : amide:sc= 0.25 K(o=0.25,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -4.05! C(o=-4!,f=-5.1!) USER MOD Single : A 92 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.51) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 163:sc= -0.0244 (180deg=-0.302) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 92:sc= 1.33 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0748 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.183 35.904 -2.449 1.00 0.00 N ATOM 2 CA GLY A 1 11.339 34.956 -3.537 1.00 0.00 C ATOM 3 C GLY A 1 10.792 33.585 -3.195 1.00 0.00 C ATOM 4 O GLY A 1 11.553 32.649 -2.952 1.00 0.00 O ATOM 0 H1 GLY A 1 11.572 36.826 -2.733 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.173 36.010 -2.223 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.691 35.557 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.829 35.337 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.396 34.869 -3.790 1.00 0.00 H new ATOM 8 N SER A 2 9.469 33.465 -3.176 1.00 0.00 N ATOM 9 CA SER A 2 8.820 32.199 -2.855 1.00 0.00 C ATOM 10 C SER A 2 9.147 31.767 -1.429 1.00 0.00 C ATOM 11 O SER A 2 9.423 30.595 -1.172 1.00 0.00 O ATOM 12 CB SER A 2 9.256 31.115 -3.842 1.00 0.00 C ATOM 13 OG SER A 2 8.455 29.954 -3.711 1.00 0.00 O ATOM 0 H SER A 2 8.825 34.229 -3.379 1.00 0.00 H new ATOM 0 HA SER A 2 7.742 32.340 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.185 31.496 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.302 30.861 -3.669 1.00 0.00 H new ATOM 0 HG SER A 2 8.456 29.660 -2.776 1.00 0.00 H new ATOM 19 N SER A 3 9.113 32.722 -0.506 1.00 0.00 N ATOM 20 CA SER A 3 9.410 32.443 0.895 1.00 0.00 C ATOM 21 C SER A 3 8.128 32.179 1.679 1.00 0.00 C ATOM 22 O SER A 3 7.117 32.852 1.483 1.00 0.00 O ATOM 23 CB SER A 3 10.172 33.612 1.520 1.00 0.00 C ATOM 24 OG SER A 3 11.409 33.825 0.862 1.00 0.00 O ATOM 0 H SER A 3 8.883 33.696 -0.702 1.00 0.00 H new ATOM 0 HA SER A 3 10.033 31.549 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.566 34.516 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.348 33.412 2.577 1.00 0.00 H new ATOM 0 HG SER A 3 11.876 34.579 1.279 1.00 0.00 H new ATOM 30 N GLY A 4 8.178 31.192 2.569 1.00 0.00 N ATOM 31 CA GLY A 4 7.016 30.856 3.370 1.00 0.00 C ATOM 32 C GLY A 4 6.920 29.370 3.657 1.00 0.00 C ATOM 33 O GLY A 4 7.463 28.551 2.915 1.00 0.00 O ATOM 0 H GLY A 4 9.003 30.619 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.057 31.403 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.114 31.182 2.851 1.00 0.00 H new ATOM 37 N SER A 5 6.229 29.021 4.738 1.00 0.00 N ATOM 38 CA SER A 5 6.069 27.625 5.125 1.00 0.00 C ATOM 39 C SER A 5 4.658 27.134 4.816 1.00 0.00 C ATOM 40 O SER A 5 4.005 26.519 5.659 1.00 0.00 O ATOM 41 CB SER A 5 6.368 27.449 6.615 1.00 0.00 C ATOM 42 OG SER A 5 5.312 27.958 7.410 1.00 0.00 O ATOM 0 H SER A 5 5.771 29.686 5.361 1.00 0.00 H new ATOM 0 HA SER A 5 6.777 27.030 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.518 26.392 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.296 27.962 6.866 1.00 0.00 H new ATOM 0 HG SER A 5 4.493 27.451 7.229 1.00 0.00 H new ATOM 48 N SER A 6 4.195 27.410 3.601 1.00 0.00 N ATOM 49 CA SER A 6 2.860 27.001 3.181 1.00 0.00 C ATOM 50 C SER A 6 2.933 25.842 2.191 1.00 0.00 C ATOM 51 O SER A 6 3.355 26.014 1.048 1.00 0.00 O ATOM 52 CB SER A 6 2.117 28.180 2.550 1.00 0.00 C ATOM 53 OG SER A 6 0.830 27.790 2.101 1.00 0.00 O ATOM 0 H SER A 6 4.725 27.915 2.890 1.00 0.00 H new ATOM 0 HA SER A 6 2.314 26.668 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.023 28.986 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.695 28.572 1.713 1.00 0.00 H new ATOM 0 HG SER A 6 0.375 28.561 1.703 1.00 0.00 H new ATOM 59 N GLY A 7 2.519 24.661 2.639 1.00 0.00 N ATOM 60 CA GLY A 7 2.546 23.491 1.781 1.00 0.00 C ATOM 61 C GLY A 7 3.938 22.909 1.637 1.00 0.00 C ATOM 62 O GLY A 7 4.929 23.639 1.658 1.00 0.00 O ATOM 0 H GLY A 7 2.165 24.493 3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.878 22.731 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.164 23.758 0.796 1.00 0.00 H new ATOM 66 N PHE A 8 4.015 21.590 1.494 1.00 0.00 N ATOM 67 CA PHE A 8 5.296 20.910 1.349 1.00 0.00 C ATOM 68 C PHE A 8 5.218 19.825 0.279 1.00 0.00 C ATOM 69 O PHE A 8 4.216 19.120 0.166 1.00 0.00 O ATOM 70 CB PHE A 8 5.725 20.296 2.683 1.00 0.00 C ATOM 71 CG PHE A 8 5.481 21.193 3.862 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.326 22.260 4.124 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.407 20.971 4.709 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.103 23.087 5.209 1.00 0.00 C ATOM 75 CE2 PHE A 8 4.180 21.794 5.795 1.00 0.00 C ATOM 76 CZ PHE A 8 5.029 22.855 6.045 1.00 0.00 C ATOM 0 H PHE A 8 3.205 20.971 1.475 1.00 0.00 H new ATOM 0 HA PHE A 8 6.037 21.647 1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.188 19.359 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.786 20.051 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.168 22.447 3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.739 20.144 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.769 23.915 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.340 21.608 6.448 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.853 23.501 6.892 1.00 0.00 H new ATOM 86 N ARG A 9 6.284 19.699 -0.506 1.00 0.00 N ATOM 87 CA ARG A 9 6.336 18.702 -1.568 1.00 0.00 C ATOM 88 C ARG A 9 6.074 17.304 -1.016 1.00 0.00 C ATOM 89 O ARG A 9 6.543 16.938 0.062 1.00 0.00 O ATOM 90 CB ARG A 9 7.698 18.740 -2.265 1.00 0.00 C ATOM 91 CG ARG A 9 7.662 18.238 -3.700 1.00 0.00 C ATOM 92 CD ARG A 9 8.965 18.533 -4.426 1.00 0.00 C ATOM 93 NE ARG A 9 10.052 17.669 -3.972 1.00 0.00 N ATOM 94 CZ ARG A 9 11.269 17.677 -4.504 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.553 18.502 -5.503 1.00 0.00 N ATOM 96 NH2 ARG A 9 12.205 16.861 -4.037 1.00 0.00 N ATOM 0 H ARG A 9 7.122 20.275 -0.426 1.00 0.00 H new ATOM 0 HA ARG A 9 5.557 18.939 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.073 19.764 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.405 18.137 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.476 17.164 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.834 18.708 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.821 18.401 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.240 19.576 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 9 9.866 17.024 -3.204 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.836 19.132 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.488 18.507 -5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.991 16.226 -3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.139 16.869 -4.447 1.00 0.00 H new ATOM 110 N PRO A 10 5.307 16.504 -1.771 1.00 0.00 N ATOM 111 CA PRO A 10 4.965 15.134 -1.377 1.00 0.00 C ATOM 112 C PRO A 10 6.168 14.197 -1.433 1.00 0.00 C ATOM 113 O PRO A 10 6.586 13.771 -2.509 1.00 0.00 O ATOM 114 CB PRO A 10 3.916 14.718 -2.412 1.00 0.00 C ATOM 115 CG PRO A 10 4.203 15.566 -3.603 1.00 0.00 C ATOM 116 CD PRO A 10 4.715 16.874 -3.067 1.00 0.00 C ATOM 0 HA PRO A 10 4.612 15.083 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.995 13.658 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.905 14.886 -2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.942 15.093 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.304 15.715 -4.202 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.454 17.320 -3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.912 17.602 -2.949 1.00 0.00 H new ATOM 124 N HIS A 11 6.720 13.881 -0.266 1.00 0.00 N ATOM 125 CA HIS A 11 7.875 12.994 -0.182 1.00 0.00 C ATOM 126 C HIS A 11 7.645 11.900 0.858 1.00 0.00 C ATOM 127 O HIS A 11 7.436 12.185 2.037 1.00 0.00 O ATOM 128 CB HIS A 11 9.132 13.790 0.168 1.00 0.00 C ATOM 129 CG HIS A 11 10.236 12.949 0.730 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.616 11.741 0.184 1.00 0.00 N ATOM 131 CD2 HIS A 11 11.046 13.149 1.797 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.610 11.234 0.891 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.890 12.069 1.875 1.00 0.00 N ATOM 0 H HIS A 11 6.386 14.226 0.634 1.00 0.00 H new ATOM 0 HA HIS A 11 8.012 12.523 -1.155 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.492 14.297 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.873 14.564 0.890 1.00 0.00 H new ATOM 0 HD2 HIS A 11 11.031 14.000 2.462 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.109 10.296 0.697 1.00 0.00 H new ATOM 0 HE2 HIS A 11 12.616 11.934 2.579 1.00 0.00 H new ATOM 141 N PHE A 12 7.685 10.649 0.412 1.00 0.00 N ATOM 142 CA PHE A 12 7.480 9.513 1.303 1.00 0.00 C ATOM 143 C PHE A 12 8.670 9.337 2.242 1.00 0.00 C ATOM 144 O PHE A 12 9.735 8.873 1.833 1.00 0.00 O ATOM 145 CB PHE A 12 7.262 8.234 0.492 1.00 0.00 C ATOM 146 CG PHE A 12 6.021 8.265 -0.354 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.789 7.933 0.187 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.086 8.626 -1.690 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.645 7.961 -0.588 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.946 8.655 -2.470 1.00 0.00 C ATOM 151 CZ PHE A 12 3.724 8.321 -1.919 1.00 0.00 C ATOM 0 H PHE A 12 7.857 10.396 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 12 6.592 9.710 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.127 8.069 -0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.206 7.386 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.722 7.649 1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.039 8.888 -2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.691 7.702 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.010 8.939 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.832 8.341 -2.528 1.00 0.00 H new ATOM 161 N LEU A 13 8.481 9.710 3.503 1.00 0.00 N ATOM 162 CA LEU A 13 9.538 9.594 4.502 1.00 0.00 C ATOM 163 C LEU A 13 9.833 8.131 4.814 1.00 0.00 C ATOM 164 O LEU A 13 10.992 7.734 4.929 1.00 0.00 O ATOM 165 CB LEU A 13 9.140 10.331 5.782 1.00 0.00 C ATOM 166 CG LEU A 13 8.672 11.776 5.607 1.00 0.00 C ATOM 167 CD1 LEU A 13 8.131 12.325 6.918 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.809 12.646 5.091 1.00 0.00 C ATOM 0 H LEU A 13 7.606 10.095 3.858 1.00 0.00 H new ATOM 0 HA LEU A 13 10.441 10.049 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.343 9.769 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.993 10.326 6.460 1.00 0.00 H new ATOM 0 HG LEU A 13 7.867 11.790 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.803 13.354 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.287 11.718 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.915 12.297 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.458 13.671 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.635 12.625 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.150 12.266 4.128 1.00 0.00 H new ATOM 180 N GLN A 14 8.778 7.335 4.949 1.00 0.00 N ATOM 181 CA GLN A 14 8.925 5.915 5.247 1.00 0.00 C ATOM 182 C GLN A 14 8.109 5.068 4.277 1.00 0.00 C ATOM 183 O GLN A 14 6.880 5.131 4.265 1.00 0.00 O ATOM 184 CB GLN A 14 8.490 5.627 6.685 1.00 0.00 C ATOM 185 CG GLN A 14 8.983 4.288 7.212 1.00 0.00 C ATOM 186 CD GLN A 14 8.743 4.123 8.700 1.00 0.00 C ATOM 187 OE1 GLN A 14 7.605 3.964 9.143 1.00 0.00 O ATOM 188 NE2 GLN A 14 9.816 4.160 9.481 1.00 0.00 N ATOM 0 H GLN A 14 7.812 7.649 4.857 1.00 0.00 H new ATOM 0 HA GLN A 14 9.977 5.652 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.859 6.422 7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.402 5.651 6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.481 3.483 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.049 4.191 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.741 4.294 9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.716 4.055 10.491 1.00 0.00 H new ATOM 197 N ALA A 15 8.801 4.277 3.463 1.00 0.00 N ATOM 198 CA ALA A 15 8.140 3.416 2.491 1.00 0.00 C ATOM 199 C ALA A 15 8.618 1.974 2.620 1.00 0.00 C ATOM 200 O ALA A 15 9.773 1.704 2.951 1.00 0.00 O ATOM 201 CB ALA A 15 8.383 3.930 1.079 1.00 0.00 C ATOM 0 H ALA A 15 9.819 4.215 3.458 1.00 0.00 H new ATOM 0 HA ALA A 15 7.069 3.436 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.883 3.277 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.986 4.941 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.454 3.940 0.875 1.00 0.00 H new ATOM 207 N PRO A 16 7.711 1.022 2.353 1.00 0.00 N ATOM 208 CA PRO A 16 8.017 -0.409 2.433 1.00 0.00 C ATOM 209 C PRO A 16 8.963 -0.862 1.325 1.00 0.00 C ATOM 210 O PRO A 16 9.448 -0.049 0.539 1.00 0.00 O ATOM 211 CB PRO A 16 6.648 -1.074 2.273 1.00 0.00 C ATOM 212 CG PRO A 16 5.832 -0.084 1.516 1.00 0.00 C ATOM 213 CD PRO A 16 6.316 1.271 1.952 1.00 0.00 C ATOM 0 HA PRO A 16 8.525 -0.666 3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.727 -2.018 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.201 -1.298 3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.957 -0.216 0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.771 -0.207 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.254 1.999 1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.724 1.662 2.779 1.00 0.00 H new ATOM 221 N GLY A 17 9.219 -2.165 1.268 1.00 0.00 N ATOM 222 CA GLY A 17 10.105 -2.704 0.253 1.00 0.00 C ATOM 223 C GLY A 17 9.678 -4.079 -0.219 1.00 0.00 C ATOM 224 O GLY A 17 8.574 -4.250 -0.736 1.00 0.00 O ATOM 0 H GLY A 17 8.828 -2.857 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.133 -2.024 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.118 -2.759 0.651 1.00 0.00 H new ATOM 228 N ASP A 18 10.554 -5.062 -0.044 1.00 0.00 N ATOM 229 CA ASP A 18 10.262 -6.430 -0.457 1.00 0.00 C ATOM 230 C ASP A 18 9.773 -7.261 0.725 1.00 0.00 C ATOM 231 O ASP A 18 10.561 -7.669 1.580 1.00 0.00 O ATOM 232 CB ASP A 18 11.505 -7.076 -1.071 1.00 0.00 C ATOM 233 CG ASP A 18 12.328 -6.094 -1.881 1.00 0.00 C ATOM 234 OD1 ASP A 18 11.734 -5.339 -2.680 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.565 -6.079 -1.716 1.00 0.00 O ATOM 0 H ASP A 18 11.473 -4.937 0.381 1.00 0.00 H new ATOM 0 HA ASP A 18 9.472 -6.397 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.123 -7.495 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.202 -7.905 -1.710 1.00 0.00 H new ATOM 240 N LEU A 19 8.468 -7.508 0.768 1.00 0.00 N ATOM 241 CA LEU A 19 7.873 -8.290 1.846 1.00 0.00 C ATOM 242 C LEU A 19 7.437 -9.663 1.346 1.00 0.00 C ATOM 243 O LEU A 19 7.377 -9.907 0.140 1.00 0.00 O ATOM 244 CB LEU A 19 6.675 -7.547 2.441 1.00 0.00 C ATOM 245 CG LEU A 19 6.910 -6.082 2.811 1.00 0.00 C ATOM 246 CD1 LEU A 19 5.590 -5.388 3.107 1.00 0.00 C ATOM 247 CD2 LEU A 19 7.849 -5.977 4.004 1.00 0.00 C ATOM 0 H LEU A 19 7.802 -7.178 0.069 1.00 0.00 H new ATOM 0 HA LEU A 19 8.628 -8.428 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.853 -7.593 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.350 -8.079 3.335 1.00 0.00 H new ATOM 0 HG LEU A 19 7.377 -5.583 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.777 -4.346 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.950 -5.432 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.095 -5.888 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.005 -4.927 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.410 -6.492 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.806 -6.437 3.756 1.00 0.00 H new ATOM 259 N THR A 20 7.130 -10.558 2.280 1.00 0.00 N ATOM 260 CA THR A 20 6.698 -11.906 1.934 1.00 0.00 C ATOM 261 C THR A 20 5.480 -12.320 2.752 1.00 0.00 C ATOM 262 O THR A 20 5.429 -12.100 3.963 1.00 0.00 O ATOM 263 CB THR A 20 7.825 -12.932 2.158 1.00 0.00 C ATOM 264 OG1 THR A 20 9.028 -12.484 1.523 1.00 0.00 O ATOM 265 CG2 THR A 20 7.433 -14.295 1.608 1.00 0.00 C ATOM 0 H THR A 20 7.173 -10.373 3.282 1.00 0.00 H new ATOM 0 HA THR A 20 6.434 -11.892 0.876 1.00 0.00 H new ATOM 0 HB THR A 20 7.994 -13.025 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.740 -13.141 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.244 -15.003 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.533 -14.646 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.240 -14.214 0.538 1.00 0.00 H new ATOM 273 N VAL A 21 4.500 -12.921 2.085 1.00 0.00 N ATOM 274 CA VAL A 21 3.283 -13.367 2.751 1.00 0.00 C ATOM 275 C VAL A 21 2.677 -14.572 2.039 1.00 0.00 C ATOM 276 O VAL A 21 2.310 -14.492 0.867 1.00 0.00 O ATOM 277 CB VAL A 21 2.233 -12.242 2.815 1.00 0.00 C ATOM 278 CG1 VAL A 21 0.936 -12.755 3.421 1.00 0.00 C ATOM 279 CG2 VAL A 21 2.769 -11.059 3.607 1.00 0.00 C ATOM 0 H VAL A 21 4.526 -13.110 1.083 1.00 0.00 H new ATOM 0 HA VAL A 21 3.563 -13.650 3.765 1.00 0.00 H new ATOM 0 HB VAL A 21 2.023 -11.906 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.207 -11.946 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.545 -13.568 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.125 -13.119 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.015 -10.273 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.008 -11.379 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.669 -10.677 3.125 1.00 0.00 H new ATOM 289 N GLN A 22 2.575 -15.686 2.756 1.00 0.00 N ATOM 290 CA GLN A 22 2.014 -16.908 2.192 1.00 0.00 C ATOM 291 C GLN A 22 0.559 -16.701 1.783 1.00 0.00 C ATOM 292 O GLN A 22 -0.205 -16.042 2.487 1.00 0.00 O ATOM 293 CB GLN A 22 2.113 -18.053 3.202 1.00 0.00 C ATOM 294 CG GLN A 22 1.924 -19.429 2.582 1.00 0.00 C ATOM 295 CD GLN A 22 1.495 -20.471 3.596 1.00 0.00 C ATOM 296 OE1 GLN A 22 2.135 -21.513 3.740 1.00 0.00 O ATOM 297 NE2 GLN A 22 0.407 -20.196 4.305 1.00 0.00 N ATOM 0 H GLN A 22 2.873 -15.768 3.728 1.00 0.00 H new ATOM 0 HA GLN A 22 2.590 -17.165 1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.087 -18.014 3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.362 -17.907 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.176 -19.368 1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.857 -19.744 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.093 -19.320 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.071 -20.861 5.002 1.00 0.00 H new ATOM 306 N GLU A 23 0.185 -17.266 0.639 1.00 0.00 N ATOM 307 CA GLU A 23 -1.178 -17.141 0.136 1.00 0.00 C ATOM 308 C GLU A 23 -2.192 -17.513 1.213 1.00 0.00 C ATOM 309 O GLU A 23 -2.165 -18.620 1.751 1.00 0.00 O ATOM 310 CB GLU A 23 -1.374 -18.030 -1.094 1.00 0.00 C ATOM 311 CG GLU A 23 -2.777 -17.965 -1.674 1.00 0.00 C ATOM 312 CD GLU A 23 -3.143 -19.211 -2.457 1.00 0.00 C ATOM 313 OE1 GLU A 23 -2.670 -19.351 -3.604 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.904 -20.045 -1.923 1.00 0.00 O ATOM 0 H GLU A 23 0.806 -17.814 0.044 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.340 -16.101 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.658 -17.736 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.148 -19.062 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.494 -17.825 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.857 -17.095 -2.325 1.00 0.00 H new ATOM 321 N GLY A 24 -3.086 -16.579 1.525 1.00 0.00 N ATOM 322 CA GLY A 24 -4.096 -16.827 2.537 1.00 0.00 C ATOM 323 C GLY A 24 -3.712 -16.262 3.890 1.00 0.00 C ATOM 324 O GLY A 24 -4.333 -16.581 4.904 1.00 0.00 O ATOM 0 H GLY A 24 -3.128 -15.655 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.041 -16.387 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.259 -17.901 2.628 1.00 0.00 H new ATOM 328 N LYS A 25 -2.685 -15.419 3.907 1.00 0.00 N ATOM 329 CA LYS A 25 -2.217 -14.807 5.145 1.00 0.00 C ATOM 330 C LYS A 25 -2.521 -13.312 5.162 1.00 0.00 C ATOM 331 O LYS A 25 -2.946 -12.744 4.155 1.00 0.00 O ATOM 332 CB LYS A 25 -0.714 -15.034 5.315 1.00 0.00 C ATOM 333 CG LYS A 25 -0.356 -16.451 5.730 1.00 0.00 C ATOM 334 CD LYS A 25 -0.463 -16.635 7.234 1.00 0.00 C ATOM 335 CE LYS A 25 -0.317 -18.097 7.628 1.00 0.00 C ATOM 336 NZ LYS A 25 0.241 -18.249 9.001 1.00 0.00 N ATOM 0 H LYS A 25 -2.160 -15.144 3.077 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.745 -15.277 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.211 -14.801 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.332 -14.338 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.018 -17.156 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.659 -16.681 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.308 -16.045 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.425 -16.258 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.290 -18.586 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.333 -18.602 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.325 -19.260 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.180 -17.805 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.392 -17.789 9.686 1.00 0.00 H new ATOM 350 N LEU A 26 -2.300 -12.681 6.309 1.00 0.00 N ATOM 351 CA LEU A 26 -2.548 -11.251 6.456 1.00 0.00 C ATOM 352 C LEU A 26 -1.365 -10.437 5.943 1.00 0.00 C ATOM 353 O LEU A 26 -0.213 -10.726 6.269 1.00 0.00 O ATOM 354 CB LEU A 26 -2.821 -10.909 7.922 1.00 0.00 C ATOM 355 CG LEU A 26 -3.192 -9.454 8.214 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.995 -8.543 7.993 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.363 -9.018 7.346 1.00 0.00 C ATOM 0 H LEU A 26 -1.949 -13.137 7.151 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.425 -10.996 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.629 -11.548 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.935 -11.161 8.504 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.492 -9.379 9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.278 -7.512 8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.184 -8.841 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.664 -8.622 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.613 -7.980 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.090 -9.109 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.225 -9.651 7.554 1.00 0.00 H new ATOM 369 N CYS A 27 -1.657 -9.418 5.143 1.00 0.00 N ATOM 370 CA CYS A 27 -0.617 -8.561 4.586 1.00 0.00 C ATOM 371 C CYS A 27 -0.912 -7.092 4.871 1.00 0.00 C ATOM 372 O CYS A 27 -1.864 -6.524 4.334 1.00 0.00 O ATOM 373 CB CYS A 27 -0.494 -8.786 3.078 1.00 0.00 C ATOM 374 SG CYS A 27 0.304 -7.427 2.192 1.00 0.00 S ATOM 0 H CYS A 27 -2.605 -9.165 4.865 1.00 0.00 H new ATOM 0 HA CYS A 27 0.328 -8.822 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.071 -9.701 2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.489 -8.942 2.662 1.00 0.00 H new ATOM 0 HG CYS A 27 0.364 -7.711 0.925 1.00 0.00 H new ATOM 380 N ARG A 28 -0.092 -6.482 5.720 1.00 0.00 N ATOM 381 CA ARG A 28 -0.267 -5.080 6.079 1.00 0.00 C ATOM 382 C ARG A 28 0.894 -4.237 5.560 1.00 0.00 C ATOM 383 O ARG A 28 2.010 -4.730 5.402 1.00 0.00 O ATOM 384 CB ARG A 28 -0.381 -4.931 7.597 1.00 0.00 C ATOM 385 CG ARG A 28 -0.425 -3.486 8.066 1.00 0.00 C ATOM 386 CD ARG A 28 -0.647 -3.393 9.567 1.00 0.00 C ATOM 387 NE ARG A 28 -0.201 -2.112 10.108 1.00 0.00 N ATOM 388 CZ ARG A 28 -0.057 -1.873 11.407 1.00 0.00 C ATOM 389 NH1 ARG A 28 -0.322 -2.823 12.293 1.00 0.00 N ATOM 390 NH2 ARG A 28 0.354 -0.681 11.822 1.00 0.00 N ATOM 0 H ARG A 28 0.701 -6.937 6.172 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.187 -4.724 5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.282 -5.442 7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.466 -5.431 8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.509 -2.989 7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.224 -2.958 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.706 -3.530 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.112 -4.202 10.063 1.00 0.00 H new ATOM 0 HE ARG A 28 0.012 -1.360 9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.637 -3.740 11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.210 -2.636 13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.560 0.052 11.143 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.464 -0.498 12.819 1.00 0.00 H new ATOM 404 N MET A 29 0.622 -2.963 5.297 1.00 0.00 N ATOM 405 CA MET A 29 1.644 -2.051 4.796 1.00 0.00 C ATOM 406 C MET A 29 1.426 -0.641 5.336 1.00 0.00 C ATOM 407 O MET A 29 0.292 -0.175 5.441 1.00 0.00 O ATOM 408 CB MET A 29 1.635 -2.031 3.266 1.00 0.00 C ATOM 409 CG MET A 29 2.346 -3.219 2.639 1.00 0.00 C ATOM 410 SD MET A 29 2.970 -2.861 0.985 1.00 0.00 S ATOM 411 CE MET A 29 1.862 -3.849 -0.016 1.00 0.00 C ATOM 0 H MET A 29 -0.297 -2.539 5.422 1.00 0.00 H new ATOM 0 HA MET A 29 2.614 -2.407 5.141 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.603 -2.010 2.917 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.107 -1.111 2.920 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.176 -3.520 3.279 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.659 -4.064 2.589 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.121 -3.733 -1.068 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.954 -4.898 0.267 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.836 -3.519 0.143 1.00 0.00 H new ATOM 421 N ASP A 30 2.520 0.032 5.678 1.00 0.00 N ATOM 422 CA ASP A 30 2.448 1.389 6.206 1.00 0.00 C ATOM 423 C ASP A 30 3.422 2.308 5.476 1.00 0.00 C ATOM 424 O ASP A 30 4.567 1.936 5.217 1.00 0.00 O ATOM 425 CB ASP A 30 2.750 1.392 7.706 1.00 0.00 C ATOM 426 CG ASP A 30 2.784 2.791 8.287 1.00 0.00 C ATOM 427 OD1 ASP A 30 1.701 3.388 8.460 1.00 0.00 O ATOM 428 OD2 ASP A 30 3.894 3.291 8.568 1.00 0.00 O ATOM 0 H ASP A 30 3.466 -0.340 5.599 1.00 0.00 H new ATOM 0 HA ASP A 30 1.436 1.762 6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.994 0.804 8.227 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.710 0.906 7.881 1.00 0.00 H new ATOM 433 N CYS A 31 2.960 3.509 5.147 1.00 0.00 N ATOM 434 CA CYS A 31 3.790 4.482 4.445 1.00 0.00 C ATOM 435 C CYS A 31 3.562 5.887 4.993 1.00 0.00 C ATOM 436 O CYS A 31 2.423 6.329 5.145 1.00 0.00 O ATOM 437 CB CYS A 31 3.490 4.451 2.946 1.00 0.00 C ATOM 438 SG CYS A 31 1.781 4.866 2.526 1.00 0.00 S ATOM 0 H CYS A 31 2.015 3.833 5.355 1.00 0.00 H new ATOM 0 HA CYS A 31 4.835 4.215 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.157 5.148 2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.716 3.456 2.562 1.00 0.00 H new ATOM 0 HG CYS A 31 0.988 4.438 3.463 1.00 0.00 H new ATOM 444 N LYS A 32 4.653 6.585 5.289 1.00 0.00 N ATOM 445 CA LYS A 32 4.574 7.940 5.821 1.00 0.00 C ATOM 446 C LYS A 32 4.965 8.965 4.760 1.00 0.00 C ATOM 447 O LYS A 32 6.115 9.013 4.323 1.00 0.00 O ATOM 448 CB LYS A 32 5.483 8.085 7.043 1.00 0.00 C ATOM 449 CG LYS A 32 4.995 9.115 8.046 1.00 0.00 C ATOM 450 CD LYS A 32 5.160 10.530 7.517 1.00 0.00 C ATOM 451 CE LYS A 32 4.345 11.527 8.327 1.00 0.00 C ATOM 452 NZ LYS A 32 4.994 11.848 9.628 1.00 0.00 N ATOM 0 H LYS A 32 5.603 6.234 5.169 1.00 0.00 H new ATOM 0 HA LYS A 32 3.542 8.126 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.567 7.118 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.484 8.360 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.945 8.932 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.549 9.007 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.213 10.810 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.849 10.568 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.215 12.443 7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.350 11.120 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.407 12.530 10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.095 10.978 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.933 12.260 9.455 1.00 0.00 H new ATOM 466 N VAL A 33 4.001 9.783 4.351 1.00 0.00 N ATOM 467 CA VAL A 33 4.245 10.808 3.343 1.00 0.00 C ATOM 468 C VAL A 33 3.952 12.200 3.892 1.00 0.00 C ATOM 469 O VAL A 33 2.883 12.445 4.452 1.00 0.00 O ATOM 470 CB VAL A 33 3.387 10.574 2.085 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.942 10.971 2.342 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.957 11.342 0.902 1.00 0.00 C ATOM 0 H VAL A 33 3.044 9.756 4.702 1.00 0.00 H new ATOM 0 HA VAL A 33 5.299 10.741 3.073 1.00 0.00 H new ATOM 0 HB VAL A 33 3.409 9.511 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.352 10.799 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.540 10.373 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.897 12.027 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.339 11.166 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.967 12.408 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.974 11.004 0.705 1.00 0.00 H new ATOM 482 N SER A 34 4.908 13.108 3.728 1.00 0.00 N ATOM 483 CA SER A 34 4.754 14.476 4.211 1.00 0.00 C ATOM 484 C SER A 34 4.143 15.366 3.134 1.00 0.00 C ATOM 485 O SER A 34 4.301 15.114 1.940 1.00 0.00 O ATOM 486 CB SER A 34 6.107 15.040 4.648 1.00 0.00 C ATOM 487 OG SER A 34 6.902 15.384 3.527 1.00 0.00 O ATOM 0 H SER A 34 5.797 12.922 3.265 1.00 0.00 H new ATOM 0 HA SER A 34 4.081 14.459 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.953 15.920 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.631 14.304 5.258 1.00 0.00 H new ATOM 0 HG SER A 34 7.761 15.744 3.833 1.00 0.00 H new ATOM 493 N GLY A 35 3.443 16.411 3.565 1.00 0.00 N ATOM 494 CA GLY A 35 2.818 17.325 2.626 1.00 0.00 C ATOM 495 C GLY A 35 1.600 18.013 3.211 1.00 0.00 C ATOM 496 O GLY A 35 0.946 17.479 4.107 1.00 0.00 O ATOM 0 H GLY A 35 3.297 16.641 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.544 18.078 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.527 16.777 1.730 1.00 0.00 H new ATOM 500 N LEU A 36 1.295 19.202 2.703 1.00 0.00 N ATOM 501 CA LEU A 36 0.148 19.967 3.182 1.00 0.00 C ATOM 502 C LEU A 36 -0.505 20.740 2.041 1.00 0.00 C ATOM 503 O LEU A 36 0.134 21.533 1.349 1.00 0.00 O ATOM 504 CB LEU A 36 0.579 20.933 4.287 1.00 0.00 C ATOM 505 CG LEU A 36 -0.475 21.942 4.744 1.00 0.00 C ATOM 506 CD1 LEU A 36 -1.431 21.301 5.739 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.190 23.167 5.355 1.00 0.00 C ATOM 0 H LEU A 36 1.825 19.657 1.960 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.582 19.266 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.892 20.348 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.454 21.483 3.940 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.048 22.260 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.174 22.034 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.932 20.455 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.873 20.955 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.575 23.875 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.788 22.865 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.834 23.639 4.613 1.00 0.00 H new ATOM 519 N PRO A 37 -1.810 20.506 1.838 1.00 0.00 N ATOM 520 CA PRO A 37 -2.581 19.564 2.654 1.00 0.00 C ATOM 521 C PRO A 37 -2.182 18.114 2.399 1.00 0.00 C ATOM 522 O PRO A 37 -1.244 17.840 1.650 1.00 0.00 O ATOM 523 CB PRO A 37 -4.025 19.807 2.208 1.00 0.00 C ATOM 524 CG PRO A 37 -3.908 20.347 0.824 1.00 0.00 C ATOM 525 CD PRO A 37 -2.633 21.144 0.797 1.00 0.00 C ATOM 0 HA PRO A 37 -2.418 19.721 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.605 18.884 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.529 20.513 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.880 19.540 0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.765 20.973 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.151 21.099 -0.180 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.812 22.197 1.016 1.00 0.00 H new ATOM 533 N THR A 38 -2.901 17.188 3.026 1.00 0.00 N ATOM 534 CA THR A 38 -2.621 15.767 2.867 1.00 0.00 C ATOM 535 C THR A 38 -2.659 15.359 1.398 1.00 0.00 C ATOM 536 O THR A 38 -3.652 15.559 0.699 1.00 0.00 O ATOM 537 CB THR A 38 -3.628 14.905 3.653 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.960 15.377 3.425 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.321 14.937 5.142 1.00 0.00 C ATOM 0 H THR A 38 -3.681 17.397 3.649 1.00 0.00 H new ATOM 0 HA THR A 38 -1.620 15.596 3.263 1.00 0.00 H new ATOM 0 HB THR A 38 -3.543 13.876 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.094 15.528 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.045 14.322 5.676 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.317 14.549 5.315 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.381 15.963 5.504 1.00 0.00 H new ATOM 547 N PRO A 39 -1.552 14.774 0.918 1.00 0.00 N ATOM 548 CA PRO A 39 -1.434 14.325 -0.473 1.00 0.00 C ATOM 549 C PRO A 39 -2.320 13.120 -0.770 1.00 0.00 C ATOM 550 O PRO A 39 -2.310 12.133 -0.033 1.00 0.00 O ATOM 551 CB PRO A 39 0.044 13.947 -0.600 1.00 0.00 C ATOM 552 CG PRO A 39 0.469 13.610 0.787 1.00 0.00 C ATOM 553 CD PRO A 39 -0.330 14.504 1.694 1.00 0.00 C ATOM 0 HA PRO A 39 -1.753 15.093 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.180 13.100 -1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.630 14.772 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.280 12.560 1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.538 13.776 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.556 14.016 2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.208 15.422 1.929 1.00 0.00 H new ATOM 561 N ASP A 40 -3.084 13.205 -1.853 1.00 0.00 N ATOM 562 CA ASP A 40 -3.974 12.120 -2.249 1.00 0.00 C ATOM 563 C ASP A 40 -3.289 11.190 -3.246 1.00 0.00 C ATOM 564 O ASP A 40 -3.306 11.436 -4.453 1.00 0.00 O ATOM 565 CB ASP A 40 -5.260 12.682 -2.857 1.00 0.00 C ATOM 566 CG ASP A 40 -6.237 13.164 -1.803 1.00 0.00 C ATOM 567 OD1 ASP A 40 -6.197 12.637 -0.672 1.00 0.00 O ATOM 568 OD2 ASP A 40 -7.040 14.070 -2.109 1.00 0.00 O ATOM 0 H ASP A 40 -3.105 14.015 -2.473 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.224 11.545 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.012 13.508 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.737 11.914 -3.466 1.00 0.00 H new ATOM 573 N LEU A 41 -2.686 10.123 -2.734 1.00 0.00 N ATOM 574 CA LEU A 41 -1.994 9.157 -3.579 1.00 0.00 C ATOM 575 C LEU A 41 -2.965 8.113 -4.121 1.00 0.00 C ATOM 576 O LEU A 41 -3.945 7.762 -3.465 1.00 0.00 O ATOM 577 CB LEU A 41 -0.877 8.469 -2.792 1.00 0.00 C ATOM 578 CG LEU A 41 -1.246 7.981 -1.390 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.389 6.787 -0.998 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.093 9.106 -0.376 1.00 0.00 C ATOM 0 H LEU A 41 -2.662 9.905 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.559 9.695 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.524 7.615 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.041 9.163 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.290 7.666 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.665 6.453 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.549 5.976 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.662 7.075 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.360 8.741 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.059 9.452 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.750 9.932 -0.647 1.00 0.00 H new ATOM 592 N SER A 42 -2.685 7.620 -5.324 1.00 0.00 N ATOM 593 CA SER A 42 -3.535 6.618 -5.956 1.00 0.00 C ATOM 594 C SER A 42 -2.826 5.268 -6.022 1.00 0.00 C ATOM 595 O SER A 42 -1.729 5.158 -6.569 1.00 0.00 O ATOM 596 CB SER A 42 -3.931 7.068 -7.363 1.00 0.00 C ATOM 597 OG SER A 42 -2.802 7.121 -8.218 1.00 0.00 O ATOM 0 H SER A 42 -1.876 7.898 -5.880 1.00 0.00 H new ATOM 0 HA SER A 42 -4.435 6.507 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.670 6.380 -7.774 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.401 8.050 -7.315 1.00 0.00 H new ATOM 0 HG SER A 42 -2.073 6.593 -7.830 1.00 0.00 H new ATOM 603 N TRP A 43 -3.461 4.246 -5.461 1.00 0.00 N ATOM 604 CA TRP A 43 -2.892 2.903 -5.456 1.00 0.00 C ATOM 605 C TRP A 43 -2.967 2.275 -6.843 1.00 0.00 C ATOM 606 O TRP A 43 -3.912 2.517 -7.593 1.00 0.00 O ATOM 607 CB TRP A 43 -3.624 2.021 -4.443 1.00 0.00 C ATOM 608 CG TRP A 43 -3.250 2.313 -3.022 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.967 3.046 -2.120 1.00 0.00 C ATOM 610 CD2 TRP A 43 -2.068 1.879 -2.340 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.302 3.094 -0.919 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.135 2.386 -1.027 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.961 1.111 -2.710 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.136 2.149 -0.087 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.030 0.877 -1.775 1.00 0.00 C ATOM 616 CH2 TRP A 43 -0.063 1.394 -0.476 1.00 0.00 C ATOM 0 H TRP A 43 -4.370 4.321 -5.004 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.843 2.980 -5.169 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.699 2.157 -4.564 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.409 0.975 -4.660 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.917 3.518 -2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.625 3.579 -0.082 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.881 0.707 -3.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.205 2.547 0.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.891 0.286 -2.050 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.727 1.193 0.232 1.00 0.00 H new ATOM 627 N GLN A 44 -1.965 1.468 -7.178 1.00 0.00 N ATOM 628 CA GLN A 44 -1.919 0.806 -8.476 1.00 0.00 C ATOM 629 C GLN A 44 -1.168 -0.519 -8.385 1.00 0.00 C ATOM 630 O GLN A 44 -0.016 -0.563 -7.953 1.00 0.00 O ATOM 631 CB GLN A 44 -1.252 1.713 -9.511 1.00 0.00 C ATOM 632 CG GLN A 44 -2.064 2.954 -9.845 1.00 0.00 C ATOM 633 CD GLN A 44 -1.293 3.945 -10.695 1.00 0.00 C ATOM 634 OE1 GLN A 44 -0.092 3.788 -10.916 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.981 4.974 -11.176 1.00 0.00 N ATOM 0 H GLN A 44 -1.175 1.257 -6.569 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.943 0.602 -8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.274 2.018 -9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.081 1.144 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.972 2.659 -10.371 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.375 3.440 -8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.975 5.065 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.515 5.674 -11.754 1.00 0.00 H new ATOM 644 N LEU A 45 -1.829 -1.596 -8.794 1.00 0.00 N ATOM 645 CA LEU A 45 -1.224 -2.924 -8.759 1.00 0.00 C ATOM 646 C LEU A 45 -0.862 -3.394 -10.164 1.00 0.00 C ATOM 647 O LEU A 45 -1.727 -3.519 -11.030 1.00 0.00 O ATOM 648 CB LEU A 45 -2.179 -3.923 -8.104 1.00 0.00 C ATOM 649 CG LEU A 45 -1.643 -5.344 -7.923 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.497 -5.358 -6.923 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.755 -6.281 -7.476 1.00 0.00 C ATOM 0 H LEU A 45 -2.783 -1.577 -9.154 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.309 -2.865 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.463 -3.536 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.088 -3.973 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.265 -5.694 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.128 -6.377 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.309 -4.719 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.850 -4.988 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.355 -7.287 -7.352 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.164 -5.934 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.544 -6.294 -8.228 1.00 0.00 H new ATOM 663 N ASP A 46 0.422 -3.657 -10.381 1.00 0.00 N ATOM 664 CA ASP A 46 0.899 -4.118 -11.680 1.00 0.00 C ATOM 665 C ASP A 46 0.609 -3.084 -12.763 1.00 0.00 C ATOM 666 O ASP A 46 0.219 -3.431 -13.878 1.00 0.00 O ATOM 667 CB ASP A 46 0.247 -5.452 -12.043 1.00 0.00 C ATOM 668 CG ASP A 46 0.872 -6.088 -13.269 1.00 0.00 C ATOM 669 OD1 ASP A 46 2.095 -6.342 -13.248 1.00 0.00 O ATOM 670 OD2 ASP A 46 0.138 -6.332 -14.249 1.00 0.00 O ATOM 0 H ASP A 46 1.151 -3.559 -9.674 1.00 0.00 H new ATOM 0 HA ASP A 46 1.978 -4.257 -11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.333 -6.136 -11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.817 -5.296 -12.221 1.00 0.00 H new ATOM 675 N GLY A 47 0.800 -1.812 -12.427 1.00 0.00 N ATOM 676 CA GLY A 47 0.552 -0.747 -13.382 1.00 0.00 C ATOM 677 C GLY A 47 -0.925 -0.556 -13.667 1.00 0.00 C ATOM 678 O GLY A 47 -1.298 0.171 -14.588 1.00 0.00 O ATOM 0 H GLY A 47 1.122 -1.500 -11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.968 0.185 -12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.073 -0.970 -14.313 1.00 0.00 H new ATOM 682 N LYS A 48 -1.768 -1.212 -12.877 1.00 0.00 N ATOM 683 CA LYS A 48 -3.212 -1.112 -13.048 1.00 0.00 C ATOM 684 C LYS A 48 -3.861 -0.466 -11.829 1.00 0.00 C ATOM 685 O LYS A 48 -3.372 -0.575 -10.704 1.00 0.00 O ATOM 686 CB LYS A 48 -3.815 -2.498 -13.286 1.00 0.00 C ATOM 687 CG LYS A 48 -3.365 -3.143 -14.585 1.00 0.00 C ATOM 688 CD LYS A 48 -3.875 -4.570 -14.706 1.00 0.00 C ATOM 689 CE LYS A 48 -2.995 -5.543 -13.936 1.00 0.00 C ATOM 690 NZ LYS A 48 -3.466 -6.948 -14.079 1.00 0.00 N ATOM 0 H LYS A 48 -1.475 -1.819 -12.111 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.407 -0.483 -13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.546 -3.149 -12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.902 -2.416 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.726 -2.554 -15.428 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.276 -3.139 -14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.897 -4.626 -14.330 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.906 -4.859 -15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.968 -5.466 -14.294 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.986 -5.268 -12.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.841 -7.580 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.437 -7.028 -13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.450 -7.219 -15.083 1.00 0.00 H new ATOM 704 N PRO A 49 -4.991 0.222 -12.053 1.00 0.00 N ATOM 705 CA PRO A 49 -5.732 0.897 -10.984 1.00 0.00 C ATOM 706 C PRO A 49 -6.405 -0.088 -10.033 1.00 0.00 C ATOM 707 O PRO A 49 -7.458 -0.645 -10.344 1.00 0.00 O ATOM 708 CB PRO A 49 -6.783 1.712 -11.741 1.00 0.00 C ATOM 709 CG PRO A 49 -6.971 0.986 -13.028 1.00 0.00 C ATOM 710 CD PRO A 49 -5.632 0.393 -13.368 1.00 0.00 C ATOM 0 HA PRO A 49 -5.079 1.499 -10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.716 1.772 -11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.445 2.735 -11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.729 0.209 -12.930 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.308 1.663 -13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.735 -0.557 -13.892 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.053 1.052 -14.015 1.00 0.00 H new ATOM 718 N VAL A 50 -5.790 -0.298 -8.874 1.00 0.00 N ATOM 719 CA VAL A 50 -6.330 -1.214 -7.877 1.00 0.00 C ATOM 720 C VAL A 50 -7.540 -0.610 -7.174 1.00 0.00 C ATOM 721 O VAL A 50 -7.512 0.545 -6.749 1.00 0.00 O ATOM 722 CB VAL A 50 -5.270 -1.586 -6.823 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.767 -0.340 -6.110 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.837 -2.587 -5.828 1.00 0.00 C ATOM 0 H VAL A 50 -4.917 0.154 -8.602 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.635 -2.116 -8.408 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.425 -2.052 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.019 -0.622 -5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.321 0.339 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.601 0.156 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.075 -2.839 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.699 -2.150 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.144 -3.490 -6.355 1.00 0.00 H new ATOM 734 N ARG A 51 -8.603 -1.400 -7.054 1.00 0.00 N ATOM 735 CA ARG A 51 -9.825 -0.942 -6.402 1.00 0.00 C ATOM 736 C ARG A 51 -10.024 -1.647 -5.064 1.00 0.00 C ATOM 737 O ARG A 51 -9.701 -2.824 -4.900 1.00 0.00 O ATOM 738 CB ARG A 51 -11.034 -1.191 -7.306 1.00 0.00 C ATOM 739 CG ARG A 51 -11.245 -0.108 -8.352 1.00 0.00 C ATOM 740 CD ARG A 51 -12.090 1.034 -7.809 1.00 0.00 C ATOM 741 NE ARG A 51 -12.773 1.764 -8.873 1.00 0.00 N ATOM 742 CZ ARG A 51 -13.768 2.617 -8.658 1.00 0.00 C ATOM 743 NH1 ARG A 51 -14.194 2.846 -7.423 1.00 0.00 N ATOM 744 NH2 ARG A 51 -14.340 3.243 -9.679 1.00 0.00 N ATOM 0 H ARG A 51 -8.643 -2.359 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.730 0.128 -6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.910 -2.150 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.929 -1.268 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.279 0.276 -8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.731 -0.537 -9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.827 0.639 -7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.455 1.720 -7.249 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.469 1.610 -9.835 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.757 2.367 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.958 3.502 -7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.016 3.069 -10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.104 3.898 -9.512 1.00 0.00 H new ATOM 758 N PRO A 52 -10.567 -0.912 -4.083 1.00 0.00 N ATOM 759 CA PRO A 52 -10.821 -1.446 -2.741 1.00 0.00 C ATOM 760 C PRO A 52 -11.949 -2.473 -2.730 1.00 0.00 C ATOM 761 O PRO A 52 -12.954 -2.312 -3.422 1.00 0.00 O ATOM 762 CB PRO A 52 -11.219 -0.207 -1.935 1.00 0.00 C ATOM 763 CG PRO A 52 -11.757 0.746 -2.946 1.00 0.00 C ATOM 764 CD PRO A 52 -10.976 0.497 -4.207 1.00 0.00 C ATOM 0 HA PRO A 52 -9.954 -1.971 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.968 -0.449 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.363 0.215 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.822 0.583 -3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.640 1.777 -2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.585 0.662 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.114 1.160 -4.283 1.00 0.00 H new ATOM 772 N ASP A 53 -11.774 -3.527 -1.941 1.00 0.00 N ATOM 773 CA ASP A 53 -12.778 -4.580 -1.838 1.00 0.00 C ATOM 774 C ASP A 53 -12.697 -5.278 -0.484 1.00 0.00 C ATOM 775 O ASP A 53 -11.818 -4.985 0.325 1.00 0.00 O ATOM 776 CB ASP A 53 -12.596 -5.599 -2.963 1.00 0.00 C ATOM 777 CG ASP A 53 -13.249 -5.156 -4.258 1.00 0.00 C ATOM 778 OD1 ASP A 53 -12.685 -4.270 -4.933 1.00 0.00 O ATOM 779 OD2 ASP A 53 -14.324 -5.695 -4.595 1.00 0.00 O ATOM 0 H ASP A 53 -10.947 -3.675 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.762 -4.120 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.532 -5.761 -3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.019 -6.555 -2.655 1.00 0.00 H new ATOM 784 N SER A 54 -13.622 -6.203 -0.245 1.00 0.00 N ATOM 785 CA SER A 54 -13.658 -6.939 1.013 1.00 0.00 C ATOM 786 C SER A 54 -12.260 -7.402 1.412 1.00 0.00 C ATOM 787 O SER A 54 -11.902 -7.386 2.589 1.00 0.00 O ATOM 788 CB SER A 54 -14.593 -8.145 0.896 1.00 0.00 C ATOM 789 OG SER A 54 -14.053 -9.126 0.028 1.00 0.00 O ATOM 0 H SER A 54 -14.356 -6.460 -0.906 1.00 0.00 H new ATOM 0 HA SER A 54 -14.035 -6.270 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.758 -8.579 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.565 -7.821 0.524 1.00 0.00 H new ATOM 0 HG SER A 54 -14.668 -9.887 -0.029 1.00 0.00 H new ATOM 795 N ALA A 55 -11.475 -7.814 0.422 1.00 0.00 N ATOM 796 CA ALA A 55 -10.116 -8.280 0.669 1.00 0.00 C ATOM 797 C ALA A 55 -9.145 -7.109 0.772 1.00 0.00 C ATOM 798 O ALA A 55 -8.420 -6.976 1.758 1.00 0.00 O ATOM 799 CB ALA A 55 -9.679 -9.236 -0.431 1.00 0.00 C ATOM 0 H ALA A 55 -11.757 -7.835 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.107 -8.810 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.662 -9.577 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.351 -10.094 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.710 -8.723 -1.392 1.00 0.00 H new ATOM 805 N HIS A 56 -9.135 -6.262 -0.252 1.00 0.00 N ATOM 806 CA HIS A 56 -8.252 -5.101 -0.276 1.00 0.00 C ATOM 807 C HIS A 56 -8.880 -3.926 0.466 1.00 0.00 C ATOM 808 O HIS A 56 -9.839 -3.318 -0.010 1.00 0.00 O ATOM 809 CB HIS A 56 -7.941 -4.701 -1.719 1.00 0.00 C ATOM 810 CG HIS A 56 -7.095 -5.699 -2.448 1.00 0.00 C ATOM 811 ND1 HIS A 56 -7.610 -6.834 -3.038 1.00 0.00 N ATOM 812 CD2 HIS A 56 -5.762 -5.726 -2.682 1.00 0.00 C ATOM 813 CE1 HIS A 56 -6.630 -7.517 -3.602 1.00 0.00 C ATOM 814 NE2 HIS A 56 -5.498 -6.866 -3.401 1.00 0.00 N ATOM 0 H HIS A 56 -9.728 -6.358 -1.076 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.323 -5.371 0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.878 -4.567 -2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.432 -3.737 -1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.040 -4.988 -2.363 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.736 -8.449 -4.137 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.578 -7.162 -3.727 1.00 0.00 H new ATOM 822 N LYS A 57 -8.333 -3.611 1.635 1.00 0.00 N ATOM 823 CA LYS A 57 -8.838 -2.508 2.445 1.00 0.00 C ATOM 824 C LYS A 57 -7.796 -1.401 2.567 1.00 0.00 C ATOM 825 O LYS A 57 -6.745 -1.590 3.179 1.00 0.00 O ATOM 826 CB LYS A 57 -9.232 -3.008 3.836 1.00 0.00 C ATOM 827 CG LYS A 57 -9.991 -1.981 4.659 1.00 0.00 C ATOM 828 CD LYS A 57 -9.841 -2.240 6.149 1.00 0.00 C ATOM 829 CE LYS A 57 -10.763 -3.356 6.617 1.00 0.00 C ATOM 830 NZ LYS A 57 -12.091 -2.835 7.046 1.00 0.00 N ATOM 0 H LYS A 57 -7.539 -4.104 2.043 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.719 -2.100 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.846 -3.903 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.332 -3.301 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.624 -0.982 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.047 -2.005 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.807 -2.504 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.063 -1.327 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.899 -4.077 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.297 -3.889 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.690 -3.626 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.964 -2.166 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.547 -2.349 6.248 1.00 0.00 H new ATOM 844 N MET A 58 -8.095 -0.246 1.982 1.00 0.00 N ATOM 845 CA MET A 58 -7.184 0.892 2.028 1.00 0.00 C ATOM 846 C MET A 58 -7.557 1.842 3.163 1.00 0.00 C ATOM 847 O MET A 58 -8.705 2.275 3.270 1.00 0.00 O ATOM 848 CB MET A 58 -7.201 1.641 0.694 1.00 0.00 C ATOM 849 CG MET A 58 -6.630 0.837 -0.462 1.00 0.00 C ATOM 850 SD MET A 58 -7.144 1.470 -2.070 1.00 0.00 S ATOM 851 CE MET A 58 -7.453 -0.058 -2.952 1.00 0.00 C ATOM 0 H MET A 58 -8.961 -0.073 1.471 1.00 0.00 H new ATOM 0 HA MET A 58 -6.178 0.513 2.211 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.227 1.923 0.458 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.633 2.565 0.798 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.542 0.846 -0.403 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.945 -0.202 -0.367 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.039 0.151 -3.847 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.504 -0.512 -3.237 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.004 -0.744 -2.309 1.00 0.00 H new ATOM 861 N LEU A 59 -6.582 2.160 4.006 1.00 0.00 N ATOM 862 CA LEU A 59 -6.809 3.058 5.133 1.00 0.00 C ATOM 863 C LEU A 59 -6.137 4.407 4.898 1.00 0.00 C ATOM 864 O LEU A 59 -5.036 4.477 4.352 1.00 0.00 O ATOM 865 CB LEU A 59 -6.281 2.431 6.425 1.00 0.00 C ATOM 866 CG LEU A 59 -7.200 1.413 7.101 1.00 0.00 C ATOM 867 CD1 LEU A 59 -7.068 0.051 6.436 1.00 0.00 C ATOM 868 CD2 LEU A 59 -6.887 1.316 8.587 1.00 0.00 C ATOM 0 H LEU A 59 -5.627 1.810 3.931 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.883 3.219 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.331 1.944 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.074 3.231 7.135 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.230 1.751 6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.729 -0.661 6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.343 0.131 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.037 -0.295 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.551 0.587 9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.852 1.002 8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.034 2.290 9.054 1.00 0.00 H new ATOM 880 N VAL A 60 -6.806 5.477 5.317 1.00 0.00 N ATOM 881 CA VAL A 60 -6.272 6.824 5.155 1.00 0.00 C ATOM 882 C VAL A 60 -6.423 7.633 6.439 1.00 0.00 C ATOM 883 O VAL A 60 -7.459 8.255 6.674 1.00 0.00 O ATOM 884 CB VAL A 60 -6.973 7.571 4.005 1.00 0.00 C ATOM 885 CG1 VAL A 60 -6.443 8.992 3.890 1.00 0.00 C ATOM 886 CG2 VAL A 60 -6.793 6.819 2.695 1.00 0.00 C ATOM 0 H VAL A 60 -7.719 5.437 5.771 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.213 6.719 4.918 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.039 7.623 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.950 9.504 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.627 9.526 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.371 8.966 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.294 7.360 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.730 6.735 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.225 5.822 2.785 1.00 0.00 H new ATOM 896 N ARG A 61 -5.382 7.621 7.265 1.00 0.00 N ATOM 897 CA ARG A 61 -5.400 8.353 8.526 1.00 0.00 C ATOM 898 C ARG A 61 -5.375 9.858 8.281 1.00 0.00 C ATOM 899 O ARG A 61 -4.683 10.339 7.383 1.00 0.00 O ATOM 900 CB ARG A 61 -4.206 7.946 9.392 1.00 0.00 C ATOM 901 CG ARG A 61 -4.006 6.443 9.487 1.00 0.00 C ATOM 902 CD ARG A 61 -3.369 6.048 10.810 1.00 0.00 C ATOM 903 NE ARG A 61 -1.910 6.085 10.748 1.00 0.00 N ATOM 904 CZ ARG A 61 -1.133 6.236 11.814 1.00 0.00 C ATOM 905 NH1 ARG A 61 -1.671 6.363 13.019 1.00 0.00 N ATOM 906 NH2 ARG A 61 0.187 6.260 11.677 1.00 0.00 N ATOM 0 H ARG A 61 -4.516 7.113 7.084 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.323 8.103 9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.302 8.399 8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.341 8.350 10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.967 5.940 9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.376 6.106 8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.716 6.721 11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.695 5.045 11.084 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.464 5.990 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.685 6.345 13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.071 6.479 13.836 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.606 6.162 10.752 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.783 6.376 12.497 1.00 0.00 H new ATOM 920 N GLU A 62 -6.134 10.597 9.084 1.00 0.00 N ATOM 921 CA GLU A 62 -6.200 12.047 8.952 1.00 0.00 C ATOM 922 C GLU A 62 -4.817 12.671 9.116 1.00 0.00 C ATOM 923 O GLU A 62 -4.592 13.818 8.731 1.00 0.00 O ATOM 924 CB GLU A 62 -7.161 12.633 9.989 1.00 0.00 C ATOM 925 CG GLU A 62 -6.895 12.153 11.406 1.00 0.00 C ATOM 926 CD GLU A 62 -7.892 12.705 12.406 1.00 0.00 C ATOM 927 OE1 GLU A 62 -9.108 12.642 12.129 1.00 0.00 O ATOM 928 OE2 GLU A 62 -7.456 13.201 13.466 1.00 0.00 O ATOM 0 H GLU A 62 -6.712 10.215 9.833 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.569 12.279 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.090 13.720 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.183 12.373 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.928 11.064 11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.888 12.447 11.702 1.00 0.00 H new ATOM 935 N ASN A 63 -3.893 11.907 9.691 1.00 0.00 N ATOM 936 CA ASN A 63 -2.532 12.385 9.907 1.00 0.00 C ATOM 937 C ASN A 63 -1.755 12.423 8.595 1.00 0.00 C ATOM 938 O ASN A 63 -0.809 13.195 8.445 1.00 0.00 O ATOM 939 CB ASN A 63 -1.810 11.489 10.915 1.00 0.00 C ATOM 940 CG ASN A 63 -2.109 11.876 12.351 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.945 11.258 13.011 1.00 0.00 O ATOM 942 ND2 ASN A 63 -1.425 12.903 12.841 1.00 0.00 N ATOM 0 H ASN A 63 -4.062 10.955 10.015 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.587 13.398 10.305 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.105 10.452 10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.735 11.545 10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.583 13.209 13.801 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.742 13.386 12.257 1.00 0.00 H new ATOM 949 N GLY A 64 -2.162 11.585 7.647 1.00 0.00 N ATOM 950 CA GLY A 64 -1.493 11.539 6.360 1.00 0.00 C ATOM 951 C GLY A 64 -0.861 10.189 6.082 1.00 0.00 C ATOM 952 O GLY A 64 -0.288 9.972 5.015 1.00 0.00 O ATOM 0 H GLY A 64 -2.943 10.937 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.211 11.770 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.724 12.311 6.326 1.00 0.00 H new ATOM 956 N VAL A 65 -0.963 9.280 7.047 1.00 0.00 N ATOM 957 CA VAL A 65 -0.397 7.945 6.902 1.00 0.00 C ATOM 958 C VAL A 65 -1.402 6.986 6.272 1.00 0.00 C ATOM 959 O VAL A 65 -2.515 6.821 6.772 1.00 0.00 O ATOM 960 CB VAL A 65 0.057 7.377 8.260 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.343 5.887 8.147 1.00 0.00 C ATOM 962 CG2 VAL A 65 1.279 8.126 8.768 1.00 0.00 C ATOM 0 H VAL A 65 -1.433 9.445 7.937 1.00 0.00 H new ATOM 0 HA VAL A 65 0.470 8.039 6.248 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.750 7.514 8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.662 5.503 9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.561 5.366 7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.132 5.723 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.586 7.712 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.093 8.023 8.051 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.034 9.181 8.890 1.00 0.00 H new ATOM 972 N HIS A 66 -1.002 6.357 5.172 1.00 0.00 N ATOM 973 CA HIS A 66 -1.868 5.413 4.474 1.00 0.00 C ATOM 974 C HIS A 66 -1.381 3.981 4.671 1.00 0.00 C ATOM 975 O HIS A 66 -0.189 3.741 4.865 1.00 0.00 O ATOM 976 CB HIS A 66 -1.922 5.745 2.982 1.00 0.00 C ATOM 977 CG HIS A 66 -2.702 6.985 2.673 1.00 0.00 C ATOM 978 ND1 HIS A 66 -2.471 8.194 3.294 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.715 7.199 1.800 1.00 0.00 C ATOM 980 CE1 HIS A 66 -3.309 9.098 2.818 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.074 8.520 1.909 1.00 0.00 N ATOM 0 H HIS A 66 -0.085 6.483 4.745 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.870 5.498 4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.905 5.862 2.607 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.364 4.905 2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.158 6.467 1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.360 10.133 3.121 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.811 8.980 1.375 1.00 0.00 H new ATOM 989 N SER A 67 -2.311 3.032 4.622 1.00 0.00 N ATOM 990 CA SER A 67 -1.977 1.624 4.800 1.00 0.00 C ATOM 991 C SER A 67 -2.884 0.739 3.950 1.00 0.00 C ATOM 992 O SER A 67 -4.106 0.889 3.963 1.00 0.00 O ATOM 993 CB SER A 67 -2.097 1.232 6.273 1.00 0.00 C ATOM 994 OG SER A 67 -0.922 1.570 6.989 1.00 0.00 O ATOM 0 H SER A 67 -3.302 3.213 4.460 1.00 0.00 H new ATOM 0 HA SER A 67 -0.947 1.476 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.955 1.736 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.280 0.160 6.353 1.00 0.00 H new ATOM 0 HG SER A 67 -0.226 0.905 6.807 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.276 -0.183 3.212 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.028 -1.094 2.355 1.00 0.00 C ATOM 1002 C LEU A 68 -3.016 -2.510 2.922 1.00 0.00 C ATOM 1003 O LEU A 68 -2.055 -3.256 2.734 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.443 -1.094 0.941 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.033 -2.119 -0.029 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.486 -1.790 -0.335 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.215 -2.172 -1.311 1.00 0.00 C ATOM 0 H LEU A 68 -1.265 -0.320 3.189 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.061 -0.747 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.577 -0.100 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.369 -1.268 1.013 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.996 -3.101 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.889 -2.530 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.065 -1.804 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.548 -0.800 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.649 -2.906 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.220 -1.191 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.189 -2.456 -1.077 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.090 -2.873 3.615 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.204 -4.200 4.206 1.00 0.00 C ATOM 1021 C ILE A 69 -4.954 -5.152 3.280 1.00 0.00 C ATOM 1022 O ILE A 69 -6.046 -4.840 2.804 1.00 0.00 O ATOM 1023 CB ILE A 69 -4.926 -4.150 5.566 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.172 -3.237 6.535 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.061 -5.551 6.145 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.974 -2.866 7.763 1.00 0.00 C ATOM 0 H ILE A 69 -4.893 -2.267 3.781 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.189 -4.567 4.356 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.926 -3.742 5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.253 -3.732 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.881 -2.326 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.573 -5.500 7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.636 -6.174 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.070 -5.984 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.378 -2.218 8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.881 -2.342 7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.242 -3.770 8.309 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.361 -6.315 3.030 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.974 -7.313 2.164 1.00 0.00 C ATOM 1040 C ILE A 70 -5.176 -8.632 2.902 1.00 0.00 C ATOM 1041 O ILE A 70 -4.228 -9.208 3.435 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.121 -7.567 0.906 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.752 -6.242 0.238 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.868 -8.468 -0.066 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.540 -6.336 -0.662 1.00 0.00 C ATOM 0 H ILE A 70 -3.457 -6.588 3.415 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.943 -6.916 1.862 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.201 -8.070 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.602 -5.890 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.565 -5.495 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.253 -8.639 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.085 -9.422 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.802 -7.990 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.337 -5.360 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.677 -6.658 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.731 -7.059 -1.455 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.418 -9.105 2.927 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.744 -10.358 3.600 1.00 0.00 C ATOM 1059 C GLU A 71 -8.128 -10.852 3.187 1.00 0.00 C ATOM 1060 O GLU A 71 -9.131 -10.151 3.319 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.687 -10.177 5.118 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.606 -11.487 5.884 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.857 -12.330 5.732 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.961 -11.749 5.673 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.732 -13.571 5.673 1.00 0.00 O ATOM 0 H GLU A 71 -7.214 -8.641 2.490 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.007 -11.104 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.822 -9.564 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.571 -9.629 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.745 -12.056 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.441 -11.276 6.941 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.184 -12.091 2.675 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.997 -12.935 2.513 1.00 0.00 C ATOM 1074 C PRO A 72 -6.064 -12.421 1.422 1.00 0.00 C ATOM 1075 O PRO A 72 -6.246 -11.319 0.904 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.580 -14.295 2.121 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.895 -13.978 1.496 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.412 -12.762 2.214 1.00 0.00 C ATOM 0 HA PRO A 72 -6.389 -12.961 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.927 -14.820 1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.701 -14.940 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.783 -13.783 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.587 -14.814 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.995 -12.122 1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.060 -13.033 3.048 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.065 -13.226 1.076 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.104 -12.853 0.045 1.00 0.00 C ATOM 1088 C VAL A 73 -4.030 -13.914 -1.047 1.00 0.00 C ATOM 1089 O VAL A 73 -4.060 -15.113 -0.767 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.698 -12.642 0.637 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.655 -12.593 -0.468 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.659 -11.374 1.476 1.00 0.00 C ATOM 0 H VAL A 73 -4.900 -14.141 1.495 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.452 -11.915 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.465 -13.487 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.668 -12.443 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.668 -13.532 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.880 -11.769 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.658 -11.240 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.913 -10.517 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.378 -11.455 2.291 1.00 0.00 H new ATOM 1102 N THR A 74 -3.932 -13.466 -2.295 1.00 0.00 N ATOM 1103 CA THR A 74 -3.854 -14.376 -3.431 1.00 0.00 C ATOM 1104 C THR A 74 -2.553 -14.184 -4.201 1.00 0.00 C ATOM 1105 O THR A 74 -1.875 -13.168 -4.049 1.00 0.00 O ATOM 1106 CB THR A 74 -5.041 -14.178 -4.392 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.029 -12.846 -4.917 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.361 -14.438 -3.683 1.00 0.00 C ATOM 0 H THR A 74 -3.905 -12.477 -2.545 1.00 0.00 H new ATOM 0 HA THR A 74 -3.888 -15.388 -3.028 1.00 0.00 H new ATOM 0 HB THR A 74 -4.941 -14.891 -5.210 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.786 -12.729 -5.528 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.184 -14.292 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.378 -15.462 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.468 -13.746 -2.847 1.00 0.00 H new ATOM 1116 N SER A 75 -2.210 -15.166 -5.028 1.00 0.00 N ATOM 1117 CA SER A 75 -0.987 -15.106 -5.821 1.00 0.00 C ATOM 1118 C SER A 75 -0.895 -13.785 -6.578 1.00 0.00 C ATOM 1119 O SER A 75 0.186 -13.214 -6.723 1.00 0.00 O ATOM 1120 CB SER A 75 -0.934 -16.276 -6.805 1.00 0.00 C ATOM 1121 OG SER A 75 -2.039 -16.246 -7.692 1.00 0.00 O ATOM 0 H SER A 75 -2.761 -16.013 -5.167 1.00 0.00 H new ATOM 0 HA SER A 75 -0.138 -15.175 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.005 -16.235 -7.374 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.930 -17.217 -6.256 1.00 0.00 H new ATOM 0 HG SER A 75 -1.981 -17.003 -8.312 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.037 -13.305 -7.059 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.086 -12.052 -7.802 1.00 0.00 C ATOM 1129 C ARG A 76 -1.595 -10.890 -6.943 1.00 0.00 C ATOM 1130 O ARG A 76 -0.851 -10.029 -7.413 1.00 0.00 O ATOM 1131 CB ARG A 76 -3.512 -11.776 -8.285 1.00 0.00 C ATOM 1132 CG ARG A 76 -3.977 -12.720 -9.382 1.00 0.00 C ATOM 1133 CD ARG A 76 -3.526 -12.245 -10.754 1.00 0.00 C ATOM 1134 NE ARG A 76 -4.021 -10.905 -11.059 1.00 0.00 N ATOM 1135 CZ ARG A 76 -5.271 -10.650 -11.427 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -6.149 -11.637 -11.534 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -5.646 -9.404 -11.688 1.00 0.00 N ATOM 0 H ARG A 76 -2.941 -13.765 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.428 -12.146 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.194 -11.852 -7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.571 -10.751 -8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.584 -13.719 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.064 -12.796 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.437 -12.248 -10.799 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.878 -12.943 -11.513 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.371 -10.122 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.865 -12.596 -11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.108 -11.438 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.974 -8.641 -11.606 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.606 -9.209 -11.971 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.017 -10.873 -5.684 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.620 -9.818 -4.759 1.00 0.00 C ATOM 1153 C ASP A 77 -0.157 -9.439 -4.962 1.00 0.00 C ATOM 1154 O ASP A 77 0.208 -8.266 -4.881 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.848 -10.265 -3.314 1.00 0.00 C ATOM 1156 CG ASP A 77 -1.890 -9.098 -2.347 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -2.820 -8.271 -2.455 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -0.994 -9.012 -1.481 1.00 0.00 O ATOM 0 H ASP A 77 -2.634 -11.578 -5.280 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.235 -8.941 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.785 -10.819 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.053 -10.949 -3.019 1.00 0.00 H new ATOM 1163 N ALA A 78 0.677 -10.439 -5.226 1.00 0.00 N ATOM 1164 CA ALA A 78 2.101 -10.211 -5.442 1.00 0.00 C ATOM 1165 C ALA A 78 2.341 -9.415 -6.720 1.00 0.00 C ATOM 1166 O ALA A 78 2.031 -9.876 -7.818 1.00 0.00 O ATOM 1167 CB ALA A 78 2.846 -11.537 -5.496 1.00 0.00 C ATOM 0 H ALA A 78 0.391 -11.416 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 78 2.482 -9.627 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.908 -11.351 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.710 -12.069 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.455 -12.141 -6.314 1.00 0.00 H new ATOM 1173 N GLY A 79 2.895 -8.215 -6.570 1.00 0.00 N ATOM 1174 CA GLY A 79 3.166 -7.374 -7.720 1.00 0.00 C ATOM 1175 C GLY A 79 3.897 -6.099 -7.347 1.00 0.00 C ATOM 1176 O GLY A 79 4.430 -5.982 -6.243 1.00 0.00 O ATOM 0 H GLY A 79 3.161 -7.811 -5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.761 -7.932 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.226 -7.120 -8.210 1.00 0.00 H new ATOM 1180 N ILE A 80 3.922 -5.142 -8.268 1.00 0.00 N ATOM 1181 CA ILE A 80 4.593 -3.870 -8.030 1.00 0.00 C ATOM 1182 C ILE A 80 3.591 -2.778 -7.676 1.00 0.00 C ATOM 1183 O ILE A 80 3.018 -2.136 -8.557 1.00 0.00 O ATOM 1184 CB ILE A 80 5.409 -3.425 -9.258 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.487 -4.460 -9.585 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.035 -2.060 -9.012 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.259 -4.932 -8.373 1.00 0.00 C ATOM 0 H ILE A 80 3.485 -5.223 -9.186 1.00 0.00 H new ATOM 0 HA ILE A 80 5.271 -4.023 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 80 4.737 -3.346 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.020 -5.320 -10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.184 -4.032 -10.305 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.608 -1.759 -9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.250 -1.328 -8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.696 -2.113 -8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.006 -5.664 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.755 -4.082 -7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.573 -5.390 -7.661 1.00 0.00 H new ATOM 1199 N TYR A 81 3.384 -2.569 -6.380 1.00 0.00 N ATOM 1200 CA TYR A 81 2.450 -1.554 -5.909 1.00 0.00 C ATOM 1201 C TYR A 81 3.052 -0.158 -6.036 1.00 0.00 C ATOM 1202 O TYR A 81 3.991 0.194 -5.321 1.00 0.00 O ATOM 1203 CB TYR A 81 2.062 -1.824 -4.454 1.00 0.00 C ATOM 1204 CG TYR A 81 1.114 -2.990 -4.286 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.595 -4.284 -4.127 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.262 -2.797 -4.285 1.00 0.00 C ATOM 1207 CE1 TYR A 81 0.732 -5.352 -3.974 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -1.132 -3.859 -4.132 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.630 -5.135 -3.977 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.492 -6.196 -3.823 1.00 0.00 O ATOM 0 H TYR A 81 3.851 -3.089 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 81 1.557 -1.602 -6.531 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.966 -2.015 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.600 -0.929 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.661 -4.458 -4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.658 -1.800 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.122 -6.352 -3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.199 -3.692 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.057 -7.018 -4.130 1.00 0.00 H new ATOM 1220 N THR A 82 2.505 0.634 -6.952 1.00 0.00 N ATOM 1221 CA THR A 82 2.987 1.992 -7.175 1.00 0.00 C ATOM 1222 C THR A 82 1.915 3.019 -6.831 1.00 0.00 C ATOM 1223 O THR A 82 0.743 2.845 -7.168 1.00 0.00 O ATOM 1224 CB THR A 82 3.429 2.198 -8.636 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.603 1.423 -8.907 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.711 3.667 -8.914 1.00 0.00 C ATOM 0 H THR A 82 1.727 0.359 -7.552 1.00 0.00 H new ATOM 0 HA THR A 82 3.846 2.134 -6.520 1.00 0.00 H new ATOM 0 HB THR A 82 2.619 1.870 -9.287 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.876 1.558 -9.838 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.021 3.788 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.808 4.251 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.506 4.016 -8.255 1.00 0.00 H new ATOM 1234 N CYS A 83 2.323 4.090 -6.159 1.00 0.00 N ATOM 1235 CA CYS A 83 1.396 5.147 -5.769 1.00 0.00 C ATOM 1236 C CYS A 83 1.863 6.500 -6.294 1.00 0.00 C ATOM 1237 O CYS A 83 3.057 6.719 -6.501 1.00 0.00 O ATOM 1238 CB CYS A 83 1.258 5.196 -4.246 1.00 0.00 C ATOM 1239 SG CYS A 83 0.022 4.059 -3.580 1.00 0.00 S ATOM 0 H CYS A 83 3.289 4.249 -5.873 1.00 0.00 H new ATOM 0 HA CYS A 83 0.423 4.924 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.225 4.968 -3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.999 6.212 -3.948 1.00 0.00 H new ATOM 0 HG CYS A 83 0.545 2.875 -3.454 1.00 0.00 H new ATOM 1245 N ILE A 84 0.914 7.405 -6.509 1.00 0.00 N ATOM 1246 CA ILE A 84 1.228 8.737 -7.010 1.00 0.00 C ATOM 1247 C ILE A 84 0.544 9.814 -6.176 1.00 0.00 C ATOM 1248 O ILE A 84 -0.636 10.106 -6.366 1.00 0.00 O ATOM 1249 CB ILE A 84 0.805 8.899 -8.482 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.543 7.886 -9.362 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.076 10.318 -8.959 1.00 0.00 C ATOM 1252 CD1 ILE A 84 0.875 6.530 -9.411 1.00 0.00 C ATOM 0 H ILE A 84 -0.079 7.240 -6.344 1.00 0.00 H new ATOM 0 HA ILE A 84 2.309 8.855 -6.935 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.265 8.709 -8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.617 8.282 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.561 7.768 -8.991 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.772 10.416 -10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.510 11.021 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.141 10.535 -8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.452 5.863 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.825 6.113 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.134 6.635 -9.811 1.00 0.00 H new ATOM 1264 N ALA A 85 1.295 10.404 -5.251 1.00 0.00 N ATOM 1265 CA ALA A 85 0.762 11.452 -4.389 1.00 0.00 C ATOM 1266 C ALA A 85 0.923 12.826 -5.032 1.00 0.00 C ATOM 1267 O ALA A 85 2.024 13.374 -5.083 1.00 0.00 O ATOM 1268 CB ALA A 85 1.449 11.419 -3.032 1.00 0.00 C ATOM 0 H ALA A 85 2.274 10.174 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.303 11.267 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.041 12.207 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.279 10.451 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.520 11.576 -3.162 1.00 0.00 H new ATOM 1274 N THR A 86 -0.182 13.377 -5.523 1.00 0.00 N ATOM 1275 CA THR A 86 -0.164 14.686 -6.164 1.00 0.00 C ATOM 1276 C THR A 86 -0.988 15.697 -5.376 1.00 0.00 C ATOM 1277 O THR A 86 -2.212 15.592 -5.303 1.00 0.00 O ATOM 1278 CB THR A 86 -0.703 14.613 -7.605 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.218 13.430 -8.251 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.286 15.840 -8.402 1.00 0.00 C ATOM 0 H THR A 86 -1.102 12.937 -5.489 1.00 0.00 H new ATOM 0 HA THR A 86 0.876 15.011 -6.189 1.00 0.00 H new ATOM 0 HB THR A 86 -1.792 14.581 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.567 13.391 -9.166 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.678 15.766 -9.416 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.682 16.736 -7.924 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.802 15.899 -8.437 1.00 0.00 H new ATOM 1288 N ASN A 87 -0.310 16.676 -4.786 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.981 17.706 -4.002 1.00 0.00 C ATOM 1290 C ASN A 87 -0.818 19.077 -4.653 1.00 0.00 C ATOM 1291 O ASN A 87 -0.269 19.194 -5.749 1.00 0.00 O ATOM 1292 CB ASN A 87 -0.423 17.737 -2.578 1.00 0.00 C ATOM 1293 CG ASN A 87 1.057 18.068 -2.543 1.00 0.00 C ATOM 1294 OD1 ASN A 87 1.755 17.949 -3.550 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.542 18.485 -1.379 1.00 0.00 N ATOM 0 H ASN A 87 0.704 16.778 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.043 17.464 -3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.971 18.475 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.587 16.769 -2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.530 18.722 -1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.926 18.569 -0.570 1.00 0.00 H new ATOM 1302 N ARG A 88 -1.300 20.110 -3.970 1.00 0.00 N ATOM 1303 CA ARG A 88 -1.209 21.473 -4.482 1.00 0.00 C ATOM 1304 C ARG A 88 0.244 21.859 -4.746 1.00 0.00 C ATOM 1305 O ARG A 88 0.543 22.573 -5.702 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.837 22.455 -3.492 1.00 0.00 C ATOM 1307 CG ARG A 88 -3.356 22.419 -3.480 1.00 0.00 C ATOM 1308 CD ARG A 88 -3.929 23.429 -2.497 1.00 0.00 C ATOM 1309 NE ARG A 88 -4.111 24.743 -3.107 1.00 0.00 N ATOM 1310 CZ ARG A 88 -5.018 25.000 -4.044 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -5.821 24.037 -4.476 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -5.123 26.222 -4.551 1.00 0.00 N ATOM 0 H ARG A 88 -1.757 20.030 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.756 21.518 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.469 22.233 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.508 23.465 -3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.734 22.629 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.695 21.418 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.887 23.067 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.264 23.517 -1.638 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.509 25.506 -2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.743 23.096 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.516 24.237 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.507 26.965 -4.222 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.819 26.418 -5.270 1.00 0.00 H new ATOM 1326 N ALA A 89 1.142 21.381 -3.891 1.00 0.00 N ATOM 1327 CA ALA A 89 2.563 21.675 -4.032 1.00 0.00 C ATOM 1328 C ALA A 89 3.131 21.040 -5.297 1.00 0.00 C ATOM 1329 O ALA A 89 3.561 21.739 -6.214 1.00 0.00 O ATOM 1330 CB ALA A 89 3.326 21.191 -2.808 1.00 0.00 C ATOM 0 H ALA A 89 0.911 20.789 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 89 2.679 22.756 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.386 21.417 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.945 21.694 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.195 20.114 -2.700 1.00 0.00 H new ATOM 1336 N GLY A 90 3.132 19.711 -5.338 1.00 0.00 N ATOM 1337 CA GLY A 90 3.651 19.005 -6.495 1.00 0.00 C ATOM 1338 C GLY A 90 3.117 17.590 -6.599 1.00 0.00 C ATOM 1339 O GLY A 90 1.926 17.354 -6.401 1.00 0.00 O ATOM 0 H GLY A 90 2.783 19.111 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.391 19.555 -7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.739 18.976 -6.441 1.00 0.00 H new ATOM 1343 N GLN A 91 4.001 16.648 -6.911 1.00 0.00 N ATOM 1344 CA GLN A 91 3.610 15.249 -7.042 1.00 0.00 C ATOM 1345 C GLN A 91 4.827 14.334 -6.955 1.00 0.00 C ATOM 1346 O GLN A 91 5.949 14.747 -7.245 1.00 0.00 O ATOM 1347 CB GLN A 91 2.881 15.024 -8.368 1.00 0.00 C ATOM 1348 CG GLN A 91 3.799 15.055 -9.580 1.00 0.00 C ATOM 1349 CD GLN A 91 4.665 13.816 -9.688 1.00 0.00 C ATOM 1350 OE1 GLN A 91 5.892 13.894 -9.622 1.00 0.00 O ATOM 1351 NE2 GLN A 91 4.029 12.662 -9.856 1.00 0.00 N ATOM 0 H GLN A 91 4.991 16.827 -7.078 1.00 0.00 H new ATOM 0 HA GLN A 91 2.937 15.007 -6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.371 14.061 -8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.113 15.788 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.198 15.153 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.438 15.936 -9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.010 12.644 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.559 11.794 -9.936 1.00 0.00 H new ATOM 1360 N ASN A 92 4.596 13.088 -6.554 1.00 0.00 N ATOM 1361 CA ASN A 92 5.674 12.114 -6.428 1.00 0.00 C ATOM 1362 C ASN A 92 5.154 10.696 -6.644 1.00 0.00 C ATOM 1363 O ASN A 92 3.950 10.479 -6.782 1.00 0.00 O ATOM 1364 CB ASN A 92 6.331 12.224 -5.051 1.00 0.00 C ATOM 1365 CG ASN A 92 7.774 11.758 -5.059 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.645 12.407 -5.639 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.034 10.626 -4.414 1.00 0.00 N ATOM 0 H ASN A 92 3.673 12.729 -6.311 1.00 0.00 H new ATOM 0 HA ASN A 92 6.417 12.331 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.289 13.259 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.765 11.631 -4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.987 10.262 -4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.281 10.121 -3.947 1.00 0.00 H new ATOM 1374 N SER A 93 6.070 9.733 -6.670 1.00 0.00 N ATOM 1375 CA SER A 93 5.705 8.335 -6.871 1.00 0.00 C ATOM 1376 C SER A 93 6.745 7.407 -6.251 1.00 0.00 C ATOM 1377 O SER A 93 7.897 7.792 -6.051 1.00 0.00 O ATOM 1378 CB SER A 93 5.561 8.034 -8.364 1.00 0.00 C ATOM 1379 OG SER A 93 6.820 8.067 -9.014 1.00 0.00 O ATOM 0 H SER A 93 7.070 9.895 -6.554 1.00 0.00 H new ATOM 0 HA SER A 93 4.749 8.160 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.104 7.053 -8.498 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.892 8.763 -8.822 1.00 0.00 H new ATOM 0 HG SER A 93 6.702 7.870 -9.967 1.00 0.00 H new ATOM 1385 N PHE A 94 6.329 6.182 -5.949 1.00 0.00 N ATOM 1386 CA PHE A 94 7.223 5.197 -5.350 1.00 0.00 C ATOM 1387 C PHE A 94 6.800 3.780 -5.725 1.00 0.00 C ATOM 1388 O PHE A 94 5.612 3.494 -5.874 1.00 0.00 O ATOM 1389 CB PHE A 94 7.240 5.351 -3.828 1.00 0.00 C ATOM 1390 CG PHE A 94 6.192 4.531 -3.131 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.408 3.189 -2.864 1.00 0.00 C ATOM 1392 CD2 PHE A 94 4.992 5.103 -2.742 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.445 2.432 -2.223 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.025 4.351 -2.101 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.253 3.014 -1.840 1.00 0.00 C ATOM 0 H PHE A 94 5.379 5.847 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 94 8.227 5.372 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.223 5.065 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.096 6.401 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.339 2.729 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.810 6.149 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.625 1.386 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.093 4.808 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.500 2.425 -1.337 1.00 0.00 H new ATOM 1405 N SER A 95 7.781 2.896 -5.875 1.00 0.00 N ATOM 1406 CA SER A 95 7.512 1.509 -6.237 1.00 0.00 C ATOM 1407 C SER A 95 7.908 0.566 -5.104 1.00 0.00 C ATOM 1408 O SER A 95 8.720 0.914 -4.246 1.00 0.00 O ATOM 1409 CB SER A 95 8.269 1.136 -7.513 1.00 0.00 C ATOM 1410 OG SER A 95 9.670 1.205 -7.314 1.00 0.00 O ATOM 0 H SER A 95 8.769 3.115 -5.751 1.00 0.00 H new ATOM 0 HA SER A 95 6.442 1.407 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.992 0.128 -7.822 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.980 1.808 -8.321 1.00 0.00 H new ATOM 0 HG SER A 95 10.131 0.960 -8.144 1.00 0.00 H new ATOM 1416 N LEU A 96 7.327 -0.629 -5.108 1.00 0.00 N ATOM 1417 CA LEU A 96 7.618 -1.624 -4.082 1.00 0.00 C ATOM 1418 C LEU A 96 7.390 -3.036 -4.612 1.00 0.00 C ATOM 1419 O LEU A 96 6.682 -3.231 -5.599 1.00 0.00 O ATOM 1420 CB LEU A 96 6.746 -1.383 -2.849 1.00 0.00 C ATOM 1421 CG LEU A 96 5.292 -1.848 -2.954 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.162 -3.297 -2.511 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.385 -0.951 -2.124 1.00 0.00 C ATOM 0 H LEU A 96 6.652 -0.932 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 96 8.667 -1.526 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.207 -1.886 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.750 -0.316 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 96 4.982 -1.779 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.121 -3.610 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.782 -3.929 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.489 -3.392 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.355 -1.296 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.694 -0.988 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.456 0.074 -2.487 1.00 0.00 H new ATOM 1435 N GLU A 97 7.995 -4.017 -3.949 1.00 0.00 N ATOM 1436 CA GLU A 97 7.856 -5.411 -4.353 1.00 0.00 C ATOM 1437 C GLU A 97 7.220 -6.239 -3.241 1.00 0.00 C ATOM 1438 O GLU A 97 7.447 -5.988 -2.057 1.00 0.00 O ATOM 1439 CB GLU A 97 9.220 -5.995 -4.724 1.00 0.00 C ATOM 1440 CG GLU A 97 9.150 -7.418 -5.254 1.00 0.00 C ATOM 1441 CD GLU A 97 8.871 -7.472 -6.744 1.00 0.00 C ATOM 1442 OE1 GLU A 97 9.719 -6.991 -7.524 1.00 0.00 O ATOM 1443 OE2 GLU A 97 7.804 -7.995 -7.128 1.00 0.00 O ATOM 0 H GLU A 97 8.586 -3.872 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 97 7.204 -5.447 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.686 -5.359 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.865 -5.975 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.092 -7.926 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.370 -7.962 -4.722 1.00 0.00 H new ATOM 1450 N LEU A 98 6.422 -7.228 -3.630 1.00 0.00 N ATOM 1451 CA LEU A 98 5.752 -8.095 -2.667 1.00 0.00 C ATOM 1452 C LEU A 98 5.728 -9.538 -3.158 1.00 0.00 C ATOM 1453 O LEU A 98 5.193 -9.833 -4.227 1.00 0.00 O ATOM 1454 CB LEU A 98 4.324 -7.605 -2.418 1.00 0.00 C ATOM 1455 CG LEU A 98 3.335 -8.653 -1.909 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.572 -8.940 -0.435 1.00 0.00 C ATOM 1457 CD2 LEU A 98 1.903 -8.192 -2.141 1.00 0.00 C ATOM 0 H LEU A 98 6.223 -7.449 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 98 6.311 -8.058 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.362 -6.789 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.936 -7.190 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 98 3.494 -9.576 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.858 -9.688 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.586 -9.314 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.442 -8.023 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.212 -8.951 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.731 -7.256 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.738 -8.039 -3.208 1.00 0.00 H new ATOM 1469 N VAL A 99 6.310 -10.436 -2.369 1.00 0.00 N ATOM 1470 CA VAL A 99 6.353 -11.850 -2.722 1.00 0.00 C ATOM 1471 C VAL A 99 5.264 -12.631 -1.995 1.00 0.00 C ATOM 1472 O VAL A 99 4.981 -12.379 -0.824 1.00 0.00 O ATOM 1473 CB VAL A 99 7.723 -12.470 -2.389 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.743 -13.947 -2.753 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.835 -11.721 -3.107 1.00 0.00 C ATOM 0 H VAL A 99 6.758 -10.209 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 99 6.185 -11.913 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 99 7.891 -12.382 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.719 -14.368 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.971 -14.471 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.553 -14.061 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.796 -12.172 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.674 -11.776 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.833 -10.677 -2.792 1.00 0.00 H new ATOM 1485 N VAL A 100 4.656 -13.582 -2.697 1.00 0.00 N ATOM 1486 CA VAL A 100 3.598 -14.402 -2.118 1.00 0.00 C ATOM 1487 C VAL A 100 3.792 -15.874 -2.465 1.00 0.00 C ATOM 1488 O VAL A 100 3.815 -16.248 -3.637 1.00 0.00 O ATOM 1489 CB VAL A 100 2.208 -13.950 -2.604 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.122 -14.841 -2.020 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.965 -12.492 -2.242 1.00 0.00 C ATOM 0 H VAL A 100 4.878 -13.804 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 100 3.655 -14.276 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 100 2.175 -14.041 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.147 -14.506 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.288 -15.871 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.151 -14.785 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.978 -12.190 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.018 -12.372 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.725 -11.869 -2.714 1.00 0.00 H new ATOM 1501 N ALA A 101 3.930 -16.705 -1.437 1.00 0.00 N ATOM 1502 CA ALA A 101 4.119 -18.137 -1.633 1.00 0.00 C ATOM 1503 C ALA A 101 2.858 -18.912 -1.267 1.00 0.00 C ATOM 1504 O ALA A 101 2.322 -18.762 -0.170 1.00 0.00 O ATOM 1505 CB ALA A 101 5.301 -18.630 -0.812 1.00 0.00 C ATOM 0 H ALA A 101 3.914 -16.411 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 101 4.327 -18.310 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.431 -19.701 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.204 -18.106 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.116 -18.437 0.245 1.00 0.00 H new ATOM 1511 N ALA A 102 2.388 -19.741 -2.194 1.00 0.00 N ATOM 1512 CA ALA A 102 1.191 -20.541 -1.968 1.00 0.00 C ATOM 1513 C ALA A 102 1.251 -21.250 -0.620 1.00 0.00 C ATOM 1514 O ALA A 102 2.328 -21.443 -0.055 1.00 0.00 O ATOM 1515 CB ALA A 102 1.012 -21.552 -3.091 1.00 0.00 C ATOM 0 H ALA A 102 2.819 -19.876 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 102 0.332 -19.870 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.114 -22.143 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.915 -21.027 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.879 -22.212 -3.128 1.00 0.00 H new ATOM 1521 N LYS A 103 0.087 -21.635 -0.107 1.00 0.00 N ATOM 1522 CA LYS A 103 0.006 -22.324 1.176 1.00 0.00 C ATOM 1523 C LYS A 103 0.375 -23.797 1.027 1.00 0.00 C ATOM 1524 O LYS A 103 0.896 -24.412 1.957 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.403 -22.197 1.758 1.00 0.00 C ATOM 1526 CG LYS A 103 -2.499 -22.618 0.795 1.00 0.00 C ATOM 1527 CD LYS A 103 -3.828 -22.801 1.509 1.00 0.00 C ATOM 1528 CE LYS A 103 -4.874 -23.414 0.591 1.00 0.00 C ATOM 1529 NZ LYS A 103 -4.519 -24.805 0.195 1.00 0.00 N ATOM 0 H LYS A 103 -0.814 -21.481 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 103 0.717 -21.856 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.470 -22.805 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.572 -21.163 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.606 -21.867 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.216 -23.550 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.689 -23.440 2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.182 -21.837 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.842 -23.415 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.979 -22.798 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.362 -25.285 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.781 -24.780 -0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.165 -25.323 1.025 1.00 0.00 H new ATOM 1543 N GLU A 104 0.103 -24.354 -0.148 1.00 0.00 N ATOM 1544 CA GLU A 104 0.407 -25.755 -0.417 1.00 0.00 C ATOM 1545 C GLU A 104 0.892 -25.940 -1.852 1.00 0.00 C ATOM 1546 O GLU A 104 0.818 -25.021 -2.668 1.00 0.00 O ATOM 1547 CB GLU A 104 -0.826 -26.625 -0.168 1.00 0.00 C ATOM 1548 CG GLU A 104 -1.213 -26.726 1.298 1.00 0.00 C ATOM 1549 CD GLU A 104 -2.268 -27.785 1.551 1.00 0.00 C ATOM 1550 OE1 GLU A 104 -1.914 -28.982 1.578 1.00 0.00 O ATOM 1551 OE2 GLU A 104 -3.449 -27.417 1.723 1.00 0.00 O ATOM 0 H GLU A 104 -0.327 -23.858 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 104 1.203 -26.064 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.667 -26.218 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.638 -27.626 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.326 -26.954 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.584 -25.760 1.639 1.00 0.00 H new ATOM 1558 N SER A 105 1.389 -27.136 -2.153 1.00 0.00 N ATOM 1559 CA SER A 105 1.891 -27.442 -3.488 1.00 0.00 C ATOM 1560 C SER A 105 2.108 -28.942 -3.656 1.00 0.00 C ATOM 1561 O SER A 105 3.007 -29.523 -3.050 1.00 0.00 O ATOM 1562 CB SER A 105 3.200 -26.693 -3.748 1.00 0.00 C ATOM 1563 OG SER A 105 3.453 -26.577 -5.137 1.00 0.00 O ATOM 0 H SER A 105 1.455 -27.909 -1.490 1.00 0.00 H new ATOM 0 HA SER A 105 1.145 -27.117 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.150 -25.701 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.025 -27.219 -3.267 1.00 0.00 H new ATOM 0 HG SER A 105 4.294 -26.093 -5.277 1.00 0.00 H new ATOM 1569 N GLY A 106 1.275 -29.565 -4.485 1.00 0.00 N ATOM 1570 CA GLY A 106 1.391 -30.993 -4.719 1.00 0.00 C ATOM 1571 C GLY A 106 0.158 -31.574 -5.382 1.00 0.00 C ATOM 1572 O GLY A 106 -0.967 -31.134 -5.144 1.00 0.00 O ATOM 0 H GLY A 106 0.522 -29.106 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.262 -31.186 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.563 -31.501 -3.770 1.00 0.00 H new ATOM 1576 N PRO A 107 0.363 -32.586 -6.237 1.00 0.00 N ATOM 1577 CA PRO A 107 -0.729 -33.249 -6.956 1.00 0.00 C ATOM 1578 C PRO A 107 -1.611 -34.081 -6.030 1.00 0.00 C ATOM 1579 O PRO A 107 -1.247 -35.191 -5.642 1.00 0.00 O ATOM 1580 CB PRO A 107 -0.001 -34.152 -7.954 1.00 0.00 C ATOM 1581 CG PRO A 107 1.328 -34.410 -7.332 1.00 0.00 C ATOM 1582 CD PRO A 107 1.677 -33.162 -6.569 1.00 0.00 C ATOM 0 HA PRO A 107 -1.404 -32.532 -7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.548 -35.080 -8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.104 -33.666 -8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 107 1.287 -35.274 -6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 107 2.079 -34.626 -8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 107 2.255 -33.387 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.275 -32.478 -7.170 1.00 0.00 H new ATOM 1590 N SER A 108 -2.772 -33.537 -5.680 1.00 0.00 N ATOM 1591 CA SER A 108 -3.705 -34.227 -4.797 1.00 0.00 C ATOM 1592 C SER A 108 -4.692 -35.068 -5.601 1.00 0.00 C ATOM 1593 O SER A 108 -5.325 -34.578 -6.536 1.00 0.00 O ATOM 1594 CB SER A 108 -4.462 -33.219 -3.931 1.00 0.00 C ATOM 1595 OG SER A 108 -5.345 -32.435 -4.715 1.00 0.00 O ATOM 0 H SER A 108 -3.089 -32.620 -5.995 1.00 0.00 H new ATOM 0 HA SER A 108 -3.131 -34.891 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.025 -33.747 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.752 -32.570 -3.418 1.00 0.00 H new ATOM 0 HG SER A 108 -6.229 -32.857 -4.733 1.00 0.00 H new ATOM 1601 N SER A 109 -4.819 -36.338 -5.229 1.00 0.00 N ATOM 1602 CA SER A 109 -5.726 -37.249 -5.916 1.00 0.00 C ATOM 1603 C SER A 109 -7.097 -36.608 -6.108 1.00 0.00 C ATOM 1604 O SER A 109 -7.694 -36.703 -7.180 1.00 0.00 O ATOM 1605 CB SER A 109 -5.866 -38.553 -5.129 1.00 0.00 C ATOM 1606 OG SER A 109 -6.514 -38.333 -3.888 1.00 0.00 O ATOM 0 H SER A 109 -4.305 -36.759 -4.455 1.00 0.00 H new ATOM 0 HA SER A 109 -5.306 -37.469 -6.898 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.433 -39.276 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.880 -38.985 -4.956 1.00 0.00 H new ATOM 0 HG SER A 109 -6.593 -39.182 -3.405 1.00 0.00 H new ATOM 1612 N GLY A 110 -7.590 -35.955 -5.061 1.00 0.00 N ATOM 1613 CA GLY A 110 -8.887 -35.308 -5.133 1.00 0.00 C ATOM 1614 C GLY A 110 -8.893 -33.944 -4.471 1.00 0.00 C ATOM 1615 O GLY A 110 -7.842 -33.325 -4.302 1.00 0.00 O ATOM 0 H GLY A 110 -7.114 -35.862 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.179 -35.202 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.633 -35.943 -4.656 1.00 0.00 H new TER 1619 GLY A 110