USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 47 LYS NZ :NH3+ 147:sc= 0.567 (180deg=-0.0184) USER MOD Set 1.2: A 51 SER OG : rot -111:sc= 0.656 USER MOD Set 2.1: A 32 SER OG : rot -44:sc= 1.28 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.219 X(o=1.1,f=0.99) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.155 K(o=0.49,f=-1.4) USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= 0.339 USER MOD Set 4.1: A 17 MET CE :methyl 174:sc= -0.0971 (180deg=-0.157) USER MOD Set 4.2: A 37 LYS NZ :NH3+ 176:sc= 1.02 (180deg=1.01) USER MOD Set 5.1: A 4 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 67 GLN : amide:sc= 0.649 K(o=0.65,f=-4.8!) USER MOD Single : A 2 TYR OH : rot -8:sc= 1.3 USER MOD Single : A 6 SER OG : rot -61:sc= 1.43 USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0.256 (180deg=0.109) USER MOD Single : A 12 GLN : amide:sc= -0.0426 K(o=-0.043,f=-7!) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 1.05 (180deg=-0.195) USER MOD Single : A 21 GLN : amide:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 28 THR OG1 : rot 98:sc= 1.33 USER MOD Single : A 29 GLN : amide:sc= 1.17 K(o=1.2,f=-0.036) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.06) USER MOD Single : A 49 MET CE :methyl 158:sc=-0.00771 (180deg=-0.0554) USER MOD Single : A 57 SER OG : rot -128:sc= 1.26 USER MOD Single : A 62 THR OG1 : rot -69:sc= 1.16 USER MOD Single : A 64 LYS NZ :NH3+ -109:sc= 1.22 (180deg=0.374) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 1.01 (180deg=0.703) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.077 -2.396 6.408 1.00 0.00 N ATOM 11 CA TYR A 2 -13.888 -2.156 7.252 1.00 0.00 C ATOM 12 C TYR A 2 -12.629 -1.982 6.395 1.00 0.00 C ATOM 13 O TYR A 2 -11.780 -1.157 6.721 1.00 0.00 O ATOM 14 CB TYR A 2 -13.685 -3.263 8.310 1.00 0.00 C ATOM 15 CG TYR A 2 -12.391 -3.115 9.107 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.118 -1.913 9.789 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.413 -4.134 9.095 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.850 -1.686 10.352 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.145 -3.917 9.674 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.839 -2.665 10.252 1.00 0.00 C ATOM 21 OH TYR A 2 -8.558 -2.354 10.591 1.00 0.00 O ATOM 0 HA TYR A 2 -14.068 -1.227 7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.530 -3.255 8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.688 -4.233 7.814 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.888 -1.161 9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.638 -5.087 8.639 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.649 -0.757 10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.409 -4.707 9.675 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.488 -1.391 10.757 1.00 0.00 H new ATOM 31 N PHE A 3 -12.576 -2.682 5.255 1.00 0.00 N ATOM 32 CA PHE A 3 -11.549 -2.571 4.233 1.00 0.00 C ATOM 33 C PHE A 3 -11.065 -1.143 3.986 1.00 0.00 C ATOM 34 O PHE A 3 -9.873 -0.987 3.748 1.00 0.00 O ATOM 35 CB PHE A 3 -12.032 -3.195 2.919 1.00 0.00 C ATOM 36 CG PHE A 3 -11.910 -4.696 2.823 1.00 0.00 C ATOM 37 CD1 PHE A 3 -10.637 -5.249 2.587 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.043 -5.529 2.868 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.490 -6.632 2.397 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.896 -6.914 2.677 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.624 -7.460 2.434 1.00 0.00 C ATOM 0 H PHE A 3 -13.287 -3.373 5.017 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.690 -3.121 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.077 -2.924 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.469 -2.750 2.098 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.770 -4.606 2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.020 -5.107 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.512 -7.056 2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.761 -7.559 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.518 -8.523 2.275 1.00 0.00 H new ATOM 51 N CYS A 4 -11.933 -0.122 4.004 1.00 0.00 N ATOM 52 CA CYS A 4 -11.496 1.256 3.803 1.00 0.00 C ATOM 53 C CYS A 4 -10.421 1.652 4.817 1.00 0.00 C ATOM 54 O CYS A 4 -9.371 2.161 4.435 1.00 0.00 O ATOM 55 CB CYS A 4 -12.671 2.238 3.903 1.00 0.00 C ATOM 56 SG CYS A 4 -12.272 3.815 3.105 1.00 0.00 S ATOM 0 H CYS A 4 -12.936 -0.229 4.155 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.076 1.309 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.554 1.803 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.918 2.409 4.951 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.287 4.621 3.206 1.00 0.00 H new ATOM 61 N GLU A 5 -10.683 1.413 6.103 1.00 0.00 N ATOM 62 CA GLU A 5 -9.765 1.703 7.193 1.00 0.00 C ATOM 63 C GLU A 5 -8.525 0.838 7.009 1.00 0.00 C ATOM 64 O GLU A 5 -7.415 1.362 6.985 1.00 0.00 O ATOM 65 CB GLU A 5 -10.478 1.423 8.526 1.00 0.00 C ATOM 66 CG GLU A 5 -9.782 1.998 9.768 1.00 0.00 C ATOM 67 CD GLU A 5 -8.374 1.458 10.027 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.203 0.271 10.411 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.412 2.251 9.931 1.00 0.00 O ATOM 0 H GLU A 5 -11.562 1.002 6.417 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.456 2.748 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.488 1.830 8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.575 0.344 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.726 3.082 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.401 1.791 10.641 1.00 0.00 H new ATOM 76 N SER A 6 -8.712 -0.472 6.807 1.00 0.00 N ATOM 77 CA SER A 6 -7.618 -1.419 6.656 1.00 0.00 C ATOM 78 C SER A 6 -6.648 -0.935 5.575 1.00 0.00 C ATOM 79 O SER A 6 -5.445 -0.849 5.795 1.00 0.00 O ATOM 80 CB SER A 6 -8.174 -2.792 6.266 1.00 0.00 C ATOM 81 OG SER A 6 -9.377 -3.118 6.928 1.00 0.00 O ATOM 0 H SER A 6 -9.636 -0.900 6.744 1.00 0.00 H new ATOM 0 HA SER A 6 -7.086 -1.497 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.343 -2.815 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.427 -3.555 6.488 1.00 0.00 H new ATOM 0 HG SER A 6 -9.221 -3.145 7.895 1.00 0.00 H new ATOM 87 N CYS A 7 -7.194 -0.606 4.407 1.00 0.00 N ATOM 88 CA CYS A 7 -6.505 -0.098 3.243 1.00 0.00 C ATOM 89 C CYS A 7 -5.804 1.215 3.556 1.00 0.00 C ATOM 90 O CYS A 7 -4.621 1.344 3.245 1.00 0.00 O ATOM 91 CB CYS A 7 -7.537 0.061 2.131 1.00 0.00 C ATOM 92 SG CYS A 7 -6.940 0.822 0.610 1.00 0.00 S ATOM 0 H CYS A 7 -8.197 -0.697 4.247 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.726 -0.791 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.938 -0.923 1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.366 0.658 2.513 1.00 0.00 H new ATOM 97 N ARG A 8 -6.496 2.176 4.181 1.00 0.00 N ATOM 98 CA ARG A 8 -5.882 3.447 4.535 1.00 0.00 C ATOM 99 C ARG A 8 -4.680 3.189 5.438 1.00 0.00 C ATOM 100 O ARG A 8 -3.611 3.709 5.149 1.00 0.00 O ATOM 101 CB ARG A 8 -6.894 4.409 5.183 1.00 0.00 C ATOM 102 CG ARG A 8 -6.339 5.845 5.163 1.00 0.00 C ATOM 103 CD ARG A 8 -6.816 6.706 6.333 1.00 0.00 C ATOM 104 NE ARG A 8 -6.006 7.936 6.421 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.382 9.202 6.216 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.613 9.511 5.808 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.479 10.157 6.415 1.00 0.00 N ATOM 0 H ARG A 8 -7.477 2.091 4.448 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.538 3.940 3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.842 4.369 4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.095 4.102 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.250 5.804 5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.630 6.324 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.867 6.962 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.739 6.144 7.263 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.027 7.802 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.296 8.772 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.871 10.487 5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.535 9.912 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.730 11.135 6.268 1.00 0.00 H new ATOM 121 N LYS A 9 -4.824 2.388 6.495 1.00 0.00 N ATOM 122 CA LYS A 9 -3.744 2.030 7.409 1.00 0.00 C ATOM 123 C LYS A 9 -2.578 1.396 6.646 1.00 0.00 C ATOM 124 O LYS A 9 -1.432 1.785 6.869 1.00 0.00 O ATOM 125 CB LYS A 9 -4.333 1.122 8.506 1.00 0.00 C ATOM 126 CG LYS A 9 -3.303 0.668 9.549 1.00 0.00 C ATOM 127 CD LYS A 9 -3.903 -0.222 10.654 1.00 0.00 C ATOM 128 CE LYS A 9 -4.490 0.544 11.854 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.866 1.039 11.647 1.00 0.00 N ATOM 0 H LYS A 9 -5.717 1.961 6.743 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.324 2.913 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.139 1.654 9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.776 0.242 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.505 0.122 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.849 1.547 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.687 -0.840 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.129 -0.898 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.479 -0.109 12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.842 1.391 12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.205 1.497 12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.874 1.727 10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.490 0.241 11.411 1.00 0.00 H new ATOM 143 N ILE A 10 -2.861 0.431 5.766 1.00 0.00 N ATOM 144 CA ILE A 10 -1.866 -0.273 4.962 1.00 0.00 C ATOM 145 C ILE A 10 -1.083 0.732 4.114 1.00 0.00 C ATOM 146 O ILE A 10 0.142 0.781 4.223 1.00 0.00 O ATOM 147 CB ILE A 10 -2.539 -1.401 4.142 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.930 -2.547 5.096 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.607 -1.978 3.064 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.976 -3.493 4.493 1.00 0.00 C ATOM 0 H ILE A 10 -3.814 0.112 5.591 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.137 -0.768 5.604 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.409 -0.970 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.038 -3.117 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.320 -2.125 6.022 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.126 -2.765 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.317 -1.187 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.716 -2.392 3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.212 -4.279 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.881 -2.933 4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.580 -3.940 3.581 1.00 0.00 H new ATOM 162 N ILE A 11 -1.769 1.518 3.277 1.00 0.00 N ATOM 163 CA ILE A 11 -1.107 2.485 2.413 1.00 0.00 C ATOM 164 C ILE A 11 -0.368 3.513 3.264 1.00 0.00 C ATOM 165 O ILE A 11 0.781 3.778 2.955 1.00 0.00 O ATOM 166 CB ILE A 11 -2.085 3.144 1.413 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.669 2.176 0.352 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.414 4.321 0.683 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.652 1.369 -0.463 1.00 0.00 C ATOM 0 H ILE A 11 -2.785 1.499 3.184 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.376 1.956 1.801 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.917 3.487 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.335 1.477 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.280 2.755 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.122 4.768 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.100 5.069 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.543 3.961 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.179 0.729 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.998 2.051 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.055 0.752 0.209 1.00 0.00 H new ATOM 181 N GLN A 12 -0.968 4.084 4.313 1.00 0.00 N ATOM 182 CA GLN A 12 -0.333 5.155 5.078 1.00 0.00 C ATOM 183 C GLN A 12 1.024 4.710 5.607 1.00 0.00 C ATOM 184 O GLN A 12 1.975 5.472 5.488 1.00 0.00 O ATOM 185 CB GLN A 12 -1.217 5.626 6.242 1.00 0.00 C ATOM 186 CG GLN A 12 -2.440 6.431 5.783 1.00 0.00 C ATOM 187 CD GLN A 12 -2.270 7.950 5.861 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.091 8.611 6.502 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.304 8.547 5.176 1.00 0.00 N ATOM 0 H GLN A 12 -1.894 3.820 4.650 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.194 5.995 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.553 4.758 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.620 6.238 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.673 6.157 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.297 6.143 6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.632 7.989 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.233 9.565 5.175 1.00 0.00 H new ATOM 198 N LYS A 13 1.146 3.499 6.174 1.00 0.00 N ATOM 199 CA LYS A 13 2.458 3.072 6.655 1.00 0.00 C ATOM 200 C LYS A 13 3.416 2.764 5.500 1.00 0.00 C ATOM 201 O LYS A 13 4.620 2.866 5.697 1.00 0.00 O ATOM 202 CB LYS A 13 2.378 1.976 7.733 1.00 0.00 C ATOM 203 CG LYS A 13 3.667 1.830 8.583 1.00 0.00 C ATOM 204 CD LYS A 13 4.262 3.174 9.054 1.00 0.00 C ATOM 205 CE LYS A 13 5.351 3.063 10.129 1.00 0.00 C ATOM 206 NZ LYS A 13 6.023 4.368 10.339 1.00 0.00 N ATOM 0 H LYS A 13 0.388 2.829 6.305 1.00 0.00 H new ATOM 0 HA LYS A 13 2.901 3.920 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.541 2.194 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.163 1.022 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.447 1.216 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.417 1.297 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.678 3.692 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.454 3.796 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.910 2.722 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.086 2.315 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.579 4.335 11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.654 4.566 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.308 5.119 10.411 1.00 0.00 H new ATOM 220 N LEU A 14 2.925 2.343 4.331 1.00 0.00 N ATOM 221 CA LEU A 14 3.777 2.154 3.156 1.00 0.00 C ATOM 222 C LEU A 14 4.316 3.494 2.672 1.00 0.00 C ATOM 223 O LEU A 14 5.497 3.602 2.385 1.00 0.00 O ATOM 224 CB LEU A 14 2.998 1.455 2.029 1.00 0.00 C ATOM 225 CG LEU A 14 3.821 1.230 0.745 1.00 0.00 C ATOM 226 CD1 LEU A 14 5.146 0.501 1.005 1.00 0.00 C ATOM 227 CD2 LEU A 14 2.959 0.409 -0.220 1.00 0.00 C ATOM 0 H LEU A 14 1.941 2.127 4.174 1.00 0.00 H new ATOM 0 HA LEU A 14 4.617 1.520 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.640 0.492 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.119 2.051 1.785 1.00 0.00 H new ATOM 0 HG LEU A 14 4.083 2.202 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.681 0.372 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.756 1.088 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.944 -0.476 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.513 0.231 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.706 -0.546 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.044 0.957 -0.446 1.00 0.00 H new ATOM 239 N GLU A 15 3.439 4.483 2.570 1.00 0.00 N ATOM 240 CA GLU A 15 3.682 5.840 2.110 1.00 0.00 C ATOM 241 C GLU A 15 4.711 6.499 3.034 1.00 0.00 C ATOM 242 O GLU A 15 5.695 7.059 2.564 1.00 0.00 O ATOM 243 CB GLU A 15 2.278 6.496 2.094 1.00 0.00 C ATOM 244 CG GLU A 15 2.089 7.881 1.469 1.00 0.00 C ATOM 245 CD GLU A 15 0.628 8.387 1.590 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.076 8.081 2.590 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.181 9.116 0.666 1.00 0.00 O ATOM 0 H GLU A 15 2.462 4.344 2.828 1.00 0.00 H new ATOM 0 HA GLU A 15 4.121 5.928 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.606 5.812 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.936 6.557 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.758 8.591 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.372 7.844 0.417 1.00 0.00 H new ATOM 254 N ASP A 16 4.515 6.358 4.345 1.00 0.00 N ATOM 255 CA ASP A 16 5.429 6.779 5.407 1.00 0.00 C ATOM 256 C ASP A 16 6.790 6.110 5.239 1.00 0.00 C ATOM 257 O ASP A 16 7.811 6.791 5.284 1.00 0.00 O ATOM 258 CB ASP A 16 4.758 6.394 6.741 1.00 0.00 C ATOM 259 CG ASP A 16 5.627 6.241 7.995 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.613 5.468 8.006 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.096 6.539 9.092 1.00 0.00 O ATOM 0 H ASP A 16 3.669 5.924 4.714 1.00 0.00 H new ATOM 0 HA ASP A 16 5.614 7.853 5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.999 7.146 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.236 5.450 6.586 1.00 0.00 H new ATOM 266 N MET A 17 6.809 4.789 5.035 1.00 0.00 N ATOM 267 CA MET A 17 8.051 4.041 4.991 1.00 0.00 C ATOM 268 C MET A 17 8.842 4.294 3.716 1.00 0.00 C ATOM 269 O MET A 17 10.051 4.483 3.817 1.00 0.00 O ATOM 270 CB MET A 17 7.805 2.536 5.164 1.00 0.00 C ATOM 271 CG MET A 17 7.626 2.169 6.644 1.00 0.00 C ATOM 272 SD MET A 17 7.268 0.424 7.050 1.00 0.00 S ATOM 273 CE MET A 17 7.962 -0.482 5.631 1.00 0.00 C ATOM 0 H MET A 17 5.972 4.223 4.898 1.00 0.00 H new ATOM 0 HA MET A 17 8.649 4.401 5.828 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.917 2.243 4.604 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.643 1.978 4.747 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.535 2.457 7.173 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.817 2.779 7.045 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.898 -1.554 5.817 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.398 -0.236 4.731 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.006 -0.199 5.494 1.00 0.00 H new ATOM 283 N VAL A 18 8.246 4.091 2.534 1.00 0.00 N ATOM 284 CA VAL A 18 8.974 4.325 1.291 1.00 0.00 C ATOM 285 C VAL A 18 9.387 5.805 1.178 1.00 0.00 C ATOM 286 O VAL A 18 10.403 6.116 0.563 1.00 0.00 O ATOM 287 CB VAL A 18 8.215 3.751 0.082 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.106 4.644 -0.455 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.168 3.308 -1.026 1.00 0.00 C ATOM 0 H VAL A 18 7.284 3.773 2.417 1.00 0.00 H new ATOM 0 HA VAL A 18 9.913 3.771 1.301 1.00 0.00 H new ATOM 0 HB VAL A 18 7.703 2.869 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.627 4.158 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.367 4.817 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.528 5.598 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.594 2.909 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.755 4.162 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.837 2.537 -0.644 1.00 0.00 H new ATOM 299 N GLY A 19 8.587 6.706 1.765 1.00 0.00 N ATOM 300 CA GLY A 19 8.746 8.144 1.688 1.00 0.00 C ATOM 301 C GLY A 19 8.101 8.718 0.419 1.00 0.00 C ATOM 302 O GLY A 19 7.444 8.002 -0.344 1.00 0.00 O ATOM 0 H GLY A 19 7.782 6.430 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.297 8.608 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.807 8.394 1.703 1.00 0.00 H new ATOM 306 N PRO A 20 8.212 10.039 0.201 1.00 0.00 N ATOM 307 CA PRO A 20 7.680 10.690 -0.973 1.00 0.00 C ATOM 308 C PRO A 20 8.547 10.365 -2.188 1.00 0.00 C ATOM 309 O PRO A 20 9.720 10.025 -2.081 1.00 0.00 O ATOM 310 CB PRO A 20 7.702 12.187 -0.649 1.00 0.00 C ATOM 311 CG PRO A 20 8.944 12.314 0.228 1.00 0.00 C ATOM 312 CD PRO A 20 8.948 10.996 1.001 1.00 0.00 C ATOM 0 HA PRO A 20 6.671 10.357 -1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.777 12.797 -1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.800 12.502 -0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.849 12.437 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.882 13.174 0.895 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.968 10.652 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.484 11.120 1.979 1.00 0.00 H new ATOM 320 N GLN A 21 7.924 10.567 -3.341 1.00 0.00 N ATOM 321 CA GLN A 21 8.426 10.327 -4.698 1.00 0.00 C ATOM 322 C GLN A 21 9.379 9.113 -4.781 1.00 0.00 C ATOM 323 O GLN A 21 10.535 9.276 -5.171 1.00 0.00 O ATOM 324 CB GLN A 21 9.063 11.615 -5.256 1.00 0.00 C ATOM 325 CG GLN A 21 8.108 12.821 -5.231 1.00 0.00 C ATOM 326 CD GLN A 21 8.636 14.049 -5.976 1.00 0.00 C ATOM 327 OE1 GLN A 21 7.857 14.851 -6.469 1.00 0.00 O ATOM 328 NE2 GLN A 21 9.943 14.253 -6.058 1.00 0.00 N ATOM 0 H GLN A 21 6.973 10.934 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 21 7.576 10.063 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.954 11.853 -4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.388 11.438 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.155 12.525 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.912 13.094 -4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.591 13.582 -5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.301 15.081 -6.534 1.00 0.00 H new ATOM 337 N PRO A 22 8.914 7.900 -4.426 1.00 0.00 N ATOM 338 CA PRO A 22 9.730 6.697 -4.478 1.00 0.00 C ATOM 339 C PRO A 22 9.819 6.181 -5.927 1.00 0.00 C ATOM 340 O PRO A 22 9.424 6.845 -6.887 1.00 0.00 O ATOM 341 CB PRO A 22 9.006 5.729 -3.546 1.00 0.00 C ATOM 342 CG PRO A 22 7.557 6.021 -3.897 1.00 0.00 C ATOM 343 CD PRO A 22 7.561 7.546 -4.009 1.00 0.00 C ATOM 0 HA PRO A 22 10.764 6.847 -4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.276 4.691 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.224 5.926 -2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.259 5.544 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.871 5.670 -3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.824 7.889 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.309 8.011 -3.056 1.00 0.00 H new ATOM 351 N ASN A 23 10.219 4.922 -6.080 1.00 0.00 N ATOM 352 CA ASN A 23 10.467 4.227 -7.333 1.00 0.00 C ATOM 353 C ASN A 23 9.883 2.824 -7.180 1.00 0.00 C ATOM 354 O ASN A 23 9.893 2.242 -6.095 1.00 0.00 O ATOM 355 CB ASN A 23 11.982 4.151 -7.606 1.00 0.00 C ATOM 356 CG ASN A 23 12.734 3.482 -6.455 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.713 3.975 -5.337 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.384 2.351 -6.668 1.00 0.00 N ATOM 0 H ASN A 23 10.389 4.321 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 23 10.008 4.750 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.158 3.595 -8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.374 5.156 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.869 1.889 -5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.401 1.940 -7.602 1.00 0.00 H new ATOM 365 N GLU A 24 9.323 2.315 -8.279 1.00 0.00 N ATOM 366 CA GLU A 24 8.581 1.058 -8.374 1.00 0.00 C ATOM 367 C GLU A 24 9.174 -0.126 -7.606 1.00 0.00 C ATOM 368 O GLU A 24 8.425 -0.836 -6.931 1.00 0.00 O ATOM 369 CB GLU A 24 8.383 0.735 -9.861 1.00 0.00 C ATOM 370 CG GLU A 24 7.668 -0.604 -10.088 1.00 0.00 C ATOM 371 CD GLU A 24 6.672 -0.519 -11.235 1.00 0.00 C ATOM 372 OE1 GLU A 24 7.082 -0.657 -12.410 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.458 -0.386 -10.948 1.00 0.00 O ATOM 0 H GLU A 24 9.379 2.797 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 24 7.626 1.213 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.806 1.533 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.354 0.712 -10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.404 -1.379 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.149 -0.900 -9.176 1.00 0.00 H new ATOM 380 N ASP A 25 10.497 -0.305 -7.646 1.00 0.00 N ATOM 381 CA ASP A 25 11.159 -1.377 -6.903 1.00 0.00 C ATOM 382 C ASP A 25 10.933 -1.197 -5.415 1.00 0.00 C ATOM 383 O ASP A 25 10.295 -2.028 -4.770 1.00 0.00 O ATOM 384 CB ASP A 25 12.668 -1.429 -7.176 1.00 0.00 C ATOM 385 CG ASP A 25 13.314 -2.373 -6.155 1.00 0.00 C ATOM 386 OD1 ASP A 25 13.150 -3.599 -6.306 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.864 -1.844 -5.160 1.00 0.00 O ATOM 0 H ASP A 25 11.132 0.282 -8.188 1.00 0.00 H new ATOM 0 HA ASP A 25 10.721 -2.316 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.858 -1.781 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.102 -0.432 -7.098 1.00 0.00 H new ATOM 392 N THR A 26 11.401 -0.072 -4.886 1.00 0.00 N ATOM 393 CA THR A 26 11.395 0.209 -3.470 1.00 0.00 C ATOM 394 C THR A 26 9.966 0.198 -2.931 1.00 0.00 C ATOM 395 O THR A 26 9.755 -0.288 -1.824 1.00 0.00 O ATOM 396 CB THR A 26 12.192 1.499 -3.245 1.00 0.00 C ATOM 397 OG1 THR A 26 13.426 1.355 -3.947 1.00 0.00 O ATOM 398 CG2 THR A 26 12.533 1.741 -1.774 1.00 0.00 C ATOM 0 H THR A 26 11.801 0.680 -5.447 1.00 0.00 H new ATOM 0 HA THR A 26 11.893 -0.566 -2.887 1.00 0.00 H new ATOM 0 HB THR A 26 11.586 2.336 -3.590 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.966 2.164 -3.829 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.097 2.669 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.613 1.815 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.132 0.912 -1.398 1.00 0.00 H new ATOM 406 N VAL A 27 8.965 0.625 -3.708 1.00 0.00 N ATOM 407 CA VAL A 27 7.572 0.504 -3.288 1.00 0.00 C ATOM 408 C VAL A 27 7.206 -0.981 -3.181 1.00 0.00 C ATOM 409 O VAL A 27 6.642 -1.399 -2.169 1.00 0.00 O ATOM 410 CB VAL A 27 6.630 1.252 -4.257 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.168 1.131 -3.801 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.942 2.751 -4.349 1.00 0.00 C ATOM 0 H VAL A 27 9.095 1.054 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 27 7.450 0.969 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 27 6.786 0.786 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.524 1.666 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.881 0.080 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.061 1.562 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.249 3.225 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.836 3.206 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.963 2.889 -4.704 1.00 0.00 H new ATOM 422 N THR A 28 7.509 -1.775 -4.207 1.00 0.00 N ATOM 423 CA THR A 28 7.191 -3.193 -4.276 1.00 0.00 C ATOM 424 C THR A 28 7.823 -3.949 -3.098 1.00 0.00 C ATOM 425 O THR A 28 7.107 -4.660 -2.378 1.00 0.00 O ATOM 426 CB THR A 28 7.616 -3.724 -5.658 1.00 0.00 C ATOM 427 OG1 THR A 28 6.914 -3.011 -6.660 1.00 0.00 O ATOM 428 CG2 THR A 28 7.288 -5.201 -5.857 1.00 0.00 C ATOM 0 H THR A 28 7.997 -1.435 -5.036 1.00 0.00 H new ATOM 0 HA THR A 28 6.118 -3.356 -4.178 1.00 0.00 H new ATOM 0 HB THR A 28 8.696 -3.593 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.483 -2.294 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.612 -5.515 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.805 -5.793 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.213 -5.351 -5.762 1.00 0.00 H new ATOM 436 N GLN A 29 9.129 -3.779 -2.854 1.00 0.00 N ATOM 437 CA GLN A 29 9.791 -4.474 -1.759 1.00 0.00 C ATOM 438 C GLN A 29 9.281 -3.924 -0.424 1.00 0.00 C ATOM 439 O GLN A 29 8.803 -4.718 0.395 1.00 0.00 O ATOM 440 CB GLN A 29 11.329 -4.464 -1.871 1.00 0.00 C ATOM 441 CG GLN A 29 12.006 -3.112 -2.132 1.00 0.00 C ATOM 442 CD GLN A 29 13.475 -3.104 -1.714 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.787 -3.295 -0.543 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.396 -2.849 -2.627 1.00 0.00 N ATOM 0 H GLN A 29 9.738 -3.169 -3.399 1.00 0.00 H new ATOM 0 HA GLN A 29 9.528 -5.530 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.737 -4.873 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.613 -5.144 -2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.932 -2.871 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.473 -2.331 -1.589 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.123 -2.692 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.380 -2.809 -2.361 1.00 0.00 H new ATOM 453 N ALA A 30 9.261 -2.595 -0.225 1.00 0.00 N ATOM 454 CA ALA A 30 8.879 -2.006 1.052 1.00 0.00 C ATOM 455 C ALA A 30 7.468 -2.427 1.434 1.00 0.00 C ATOM 456 O ALA A 30 7.221 -2.643 2.614 1.00 0.00 O ATOM 457 CB ALA A 30 8.986 -0.476 1.042 1.00 0.00 C ATOM 0 H ALA A 30 9.508 -1.913 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 30 9.582 -2.379 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.691 -0.084 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.015 -0.185 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.328 -0.070 0.273 1.00 0.00 H new ATOM 463 N ALA A 31 6.557 -2.586 0.471 1.00 0.00 N ATOM 464 CA ALA A 31 5.211 -3.099 0.665 1.00 0.00 C ATOM 465 C ALA A 31 5.230 -4.566 1.102 1.00 0.00 C ATOM 466 O ALA A 31 4.502 -4.942 2.020 1.00 0.00 O ATOM 467 CB ALA A 31 4.404 -2.945 -0.626 1.00 0.00 C ATOM 0 H ALA A 31 6.751 -2.350 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 31 4.739 -2.520 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.396 -3.331 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.351 -1.891 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.889 -3.503 -1.427 1.00 0.00 H new ATOM 473 N SER A 32 5.984 -5.443 0.436 1.00 0.00 N ATOM 474 CA SER A 32 6.053 -6.839 0.872 1.00 0.00 C ATOM 475 C SER A 32 6.453 -6.949 2.356 1.00 0.00 C ATOM 476 O SER A 32 5.914 -7.801 3.079 1.00 0.00 O ATOM 477 CB SER A 32 6.941 -7.643 -0.087 1.00 0.00 C ATOM 478 OG SER A 32 8.322 -7.422 0.098 1.00 0.00 O ATOM 0 H SER A 32 6.543 -5.220 -0.388 1.00 0.00 H new ATOM 0 HA SER A 32 5.061 -7.288 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.732 -8.705 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.676 -7.388 -1.113 1.00 0.00 H new ATOM 0 HG SER A 32 8.489 -6.462 0.201 1.00 0.00 H new ATOM 484 N GLN A 33 7.257 -5.998 2.850 1.00 0.00 N ATOM 485 CA GLN A 33 7.608 -5.912 4.257 1.00 0.00 C ATOM 486 C GLN A 33 6.586 -5.074 5.020 1.00 0.00 C ATOM 487 O GLN A 33 6.380 -5.386 6.186 1.00 0.00 O ATOM 488 CB GLN A 33 9.028 -5.345 4.450 1.00 0.00 C ATOM 489 CG GLN A 33 10.142 -6.391 4.261 1.00 0.00 C ATOM 490 CD GLN A 33 10.150 -6.998 2.865 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.676 -6.415 1.934 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.511 -8.143 2.675 1.00 0.00 N ATOM 0 H GLN A 33 7.679 -5.268 2.276 1.00 0.00 H new ATOM 0 HA GLN A 33 7.596 -6.924 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.183 -4.530 3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.107 -4.919 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.108 -5.925 4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.017 -7.185 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.075 -8.621 3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.455 -8.547 1.740 1.00 0.00 H new ATOM 501 N VAL A 34 5.892 -4.093 4.425 1.00 0.00 N ATOM 502 CA VAL A 34 4.983 -3.194 5.146 1.00 0.00 C ATOM 503 C VAL A 34 3.916 -4.094 5.761 1.00 0.00 C ATOM 504 O VAL A 34 3.548 -3.958 6.925 1.00 0.00 O ATOM 505 CB VAL A 34 4.312 -2.116 4.252 1.00 0.00 C ATOM 506 CG1 VAL A 34 3.058 -2.457 3.418 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.990 -0.875 5.053 1.00 0.00 C ATOM 0 H VAL A 34 5.947 -3.901 3.425 1.00 0.00 H new ATOM 0 HA VAL A 34 5.552 -2.629 5.884 1.00 0.00 H new ATOM 0 HB VAL A 34 5.096 -1.992 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.740 -1.575 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.293 -3.261 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.255 -2.777 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.521 -0.135 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.308 -1.132 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.909 -0.462 5.469 1.00 0.00 H new ATOM 517 N CYS A 35 3.492 -5.088 4.977 1.00 0.00 N ATOM 518 CA CYS A 35 2.493 -6.038 5.362 1.00 0.00 C ATOM 519 C CYS A 35 3.029 -6.932 6.448 1.00 0.00 C ATOM 520 O CYS A 35 2.327 -7.157 7.427 1.00 0.00 O ATOM 521 CB CYS A 35 2.143 -6.919 4.165 1.00 0.00 C ATOM 522 SG CYS A 35 1.449 -6.090 2.736 1.00 0.00 S ATOM 0 H CYS A 35 3.855 -5.242 4.036 1.00 0.00 H new ATOM 0 HA CYS A 35 1.615 -5.498 5.715 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.046 -7.442 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.434 -7.678 4.496 1.00 0.00 H new ATOM 527 N ASP A 36 4.171 -7.580 6.204 1.00 0.00 N ATOM 528 CA ASP A 36 4.751 -8.465 7.204 1.00 0.00 C ATOM 529 C ASP A 36 4.911 -7.794 8.583 1.00 0.00 C ATOM 530 O ASP A 36 4.590 -8.379 9.616 1.00 0.00 O ATOM 531 CB ASP A 36 6.031 -9.108 6.685 1.00 0.00 C ATOM 532 CG ASP A 36 6.202 -10.357 7.528 1.00 0.00 C ATOM 533 OD1 ASP A 36 5.472 -11.315 7.169 1.00 0.00 O ATOM 534 OD2 ASP A 36 6.843 -10.319 8.592 1.00 0.00 O ATOM 0 H ASP A 36 4.701 -7.508 5.336 1.00 0.00 H new ATOM 0 HA ASP A 36 4.041 -9.273 7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.950 -9.353 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.883 -8.437 6.793 1.00 0.00 H new ATOM 539 N LYS A 37 5.352 -6.532 8.560 1.00 0.00 N ATOM 540 CA LYS A 37 5.720 -5.647 9.667 1.00 0.00 C ATOM 541 C LYS A 37 4.483 -5.152 10.417 1.00 0.00 C ATOM 542 O LYS A 37 4.527 -5.003 11.640 1.00 0.00 O ATOM 543 CB LYS A 37 6.550 -4.508 9.043 1.00 0.00 C ATOM 544 CG LYS A 37 7.280 -3.512 9.956 1.00 0.00 C ATOM 545 CD LYS A 37 8.134 -2.603 9.046 1.00 0.00 C ATOM 546 CE LYS A 37 8.963 -1.556 9.805 1.00 0.00 C ATOM 547 NZ LYS A 37 9.752 -0.694 8.887 1.00 0.00 N ATOM 0 H LYS A 37 5.472 -6.055 7.666 1.00 0.00 H new ATOM 0 HA LYS A 37 6.309 -6.165 10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.298 -4.966 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.883 -3.933 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.566 -2.921 10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.909 -4.038 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.807 -3.226 8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.477 -2.091 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.299 -0.934 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.637 -2.061 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.243 0.040 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.452 -1.274 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.114 -0.244 8.200 1.00 0.00 H new ATOM 561 N LEU A 38 3.386 -4.855 9.715 1.00 0.00 N ATOM 562 CA LEU A 38 2.154 -4.368 10.327 1.00 0.00 C ATOM 563 C LEU A 38 1.508 -5.556 11.039 1.00 0.00 C ATOM 564 O LEU A 38 0.890 -6.413 10.411 1.00 0.00 O ATOM 565 CB LEU A 38 1.183 -3.818 9.257 1.00 0.00 C ATOM 566 CG LEU A 38 1.479 -2.384 8.771 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.692 -2.104 7.483 1.00 0.00 C ATOM 568 CD2 LEU A 38 1.085 -1.338 9.823 1.00 0.00 C ATOM 0 H LEU A 38 3.331 -4.947 8.701 1.00 0.00 H new ATOM 0 HA LEU A 38 2.376 -3.557 11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.201 -4.486 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.171 -3.845 9.661 1.00 0.00 H new ATOM 0 HG LEU A 38 2.552 -2.311 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.902 -1.091 7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.989 -2.816 6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.375 -2.207 7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.308 -0.340 9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.018 -1.417 10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.649 -1.513 10.739 1.00 0.00 H new ATOM 580 N LYS A 39 1.612 -5.605 12.371 1.00 0.00 N ATOM 581 CA LYS A 39 1.057 -6.721 13.139 1.00 0.00 C ATOM 582 C LYS A 39 -0.456 -6.524 13.264 1.00 0.00 C ATOM 583 O LYS A 39 -0.968 -5.438 12.993 1.00 0.00 O ATOM 584 CB LYS A 39 1.759 -6.850 14.512 1.00 0.00 C ATOM 585 CG LYS A 39 1.620 -5.618 15.432 1.00 0.00 C ATOM 586 CD LYS A 39 2.115 -5.853 16.873 1.00 0.00 C ATOM 587 CE LYS A 39 3.638 -6.053 16.977 1.00 0.00 C ATOM 588 NZ LYS A 39 4.103 -6.177 18.384 1.00 0.00 N ATOM 0 H LYS A 39 2.072 -4.890 12.935 1.00 0.00 H new ATOM 0 HA LYS A 39 1.238 -7.663 12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.355 -7.720 15.030 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.819 -7.043 14.345 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.178 -4.788 14.998 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.573 -5.317 15.463 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.826 -5.003 17.491 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.613 -6.730 17.282 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.922 -6.948 16.424 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.144 -5.212 16.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.134 -6.310 18.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.858 -5.313 18.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.642 -6.995 18.831 1.00 0.00 H new ATOM 602 N ILE A 40 -1.166 -7.578 13.683 1.00 0.00 N ATOM 603 CA ILE A 40 -2.629 -7.677 13.758 1.00 0.00 C ATOM 604 C ILE A 40 -3.194 -7.704 12.333 1.00 0.00 C ATOM 605 O ILE A 40 -3.593 -8.756 11.842 1.00 0.00 O ATOM 606 CB ILE A 40 -3.272 -6.597 14.680 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.720 -6.721 16.120 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.813 -6.694 14.668 1.00 0.00 C ATOM 609 CD1 ILE A 40 -3.103 -5.552 17.036 1.00 0.00 C ATOM 0 H ILE A 40 -0.709 -8.434 13.997 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.900 -8.612 14.248 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.003 -5.615 14.291 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.085 -7.649 16.560 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.633 -6.795 16.077 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.231 -5.928 15.321 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.179 -6.545 13.652 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.118 -7.678 15.023 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.679 -5.712 18.027 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.714 -4.622 16.621 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.189 -5.490 17.112 1.00 0.00 H new ATOM 621 N LEU A 41 -3.110 -6.591 11.608 1.00 0.00 N ATOM 622 CA LEU A 41 -3.707 -6.381 10.289 1.00 0.00 C ATOM 623 C LEU A 41 -2.805 -6.945 9.162 1.00 0.00 C ATOM 624 O LEU A 41 -3.029 -6.715 7.972 1.00 0.00 O ATOM 625 CB LEU A 41 -4.004 -4.861 10.228 1.00 0.00 C ATOM 626 CG LEU A 41 -5.054 -4.312 9.239 1.00 0.00 C ATOM 627 CD1 LEU A 41 -4.428 -3.777 7.954 1.00 0.00 C ATOM 628 CD2 LEU A 41 -6.200 -5.286 8.950 1.00 0.00 C ATOM 0 H LEU A 41 -2.600 -5.772 11.939 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.635 -6.931 10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.309 -4.551 11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.062 -4.357 10.012 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.506 -3.465 9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.212 -3.404 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.740 -2.967 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.884 -4.578 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.897 -4.829 8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.798 -6.203 8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.722 -5.520 9.878 1.00 0.00 H new ATOM 640 N ARG A 42 -1.858 -7.817 9.530 1.00 0.00 N ATOM 641 CA ARG A 42 -0.796 -8.402 8.709 1.00 0.00 C ATOM 642 C ARG A 42 -1.394 -9.152 7.520 1.00 0.00 C ATOM 643 O ARG A 42 -0.986 -8.938 6.377 1.00 0.00 O ATOM 644 CB ARG A 42 0.004 -9.351 9.645 1.00 0.00 C ATOM 645 CG ARG A 42 1.437 -9.709 9.215 1.00 0.00 C ATOM 646 CD ARG A 42 2.019 -10.789 10.151 1.00 0.00 C ATOM 647 NE ARG A 42 3.480 -10.966 10.009 1.00 0.00 N ATOM 648 CZ ARG A 42 4.207 -12.039 10.366 1.00 0.00 C ATOM 649 NH1 ARG A 42 3.617 -13.117 10.886 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.524 -12.047 10.223 1.00 0.00 N ATOM 0 H ARG A 42 -1.813 -8.158 10.490 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.141 -7.638 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.051 -8.892 10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.560 -10.278 9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.437 -10.070 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.065 -8.819 9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.792 -10.525 11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.524 -11.739 9.949 1.00 0.00 H new ATOM 0 HE ARG A 42 3.993 -10.188 9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.605 -13.132 11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.178 -13.926 11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.000 -11.231 9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.062 -12.869 10.498 1.00 0.00 H new ATOM 664 N GLY A 43 -2.371 -10.026 7.776 1.00 0.00 N ATOM 665 CA GLY A 43 -2.976 -10.873 6.756 1.00 0.00 C ATOM 666 C GLY A 43 -3.653 -10.074 5.643 1.00 0.00 C ATOM 667 O GLY A 43 -3.537 -10.438 4.472 1.00 0.00 O ATOM 0 H GLY A 43 -2.765 -10.163 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.209 -11.514 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.711 -11.528 7.224 1.00 0.00 H new ATOM 671 N LEU A 44 -4.353 -8.985 5.982 1.00 0.00 N ATOM 672 CA LEU A 44 -5.132 -8.239 5.000 1.00 0.00 C ATOM 673 C LEU A 44 -4.189 -7.610 3.977 1.00 0.00 C ATOM 674 O LEU A 44 -4.412 -7.747 2.776 1.00 0.00 O ATOM 675 CB LEU A 44 -6.055 -7.230 5.706 1.00 0.00 C ATOM 676 CG LEU A 44 -7.215 -6.745 4.810 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.457 -6.455 5.661 1.00 0.00 C ATOM 678 CD2 LEU A 44 -6.848 -5.483 4.025 1.00 0.00 C ATOM 0 H LEU A 44 -4.393 -8.605 6.928 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.793 -8.905 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.465 -7.689 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.467 -6.370 6.027 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.422 -7.544 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.268 -6.114 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.763 -7.364 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.224 -5.681 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.694 -5.179 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.599 -4.682 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.989 -5.689 3.386 1.00 0.00 H new ATOM 690 N CYS A 45 -3.099 -6.986 4.437 1.00 0.00 N ATOM 691 CA CYS A 45 -2.061 -6.451 3.583 1.00 0.00 C ATOM 692 C CYS A 45 -1.487 -7.536 2.658 1.00 0.00 C ATOM 693 O CYS A 45 -1.372 -7.275 1.462 1.00 0.00 O ATOM 694 CB CYS A 45 -1.018 -5.785 4.475 1.00 0.00 C ATOM 695 SG CYS A 45 0.195 -4.772 3.603 1.00 0.00 S ATOM 0 H CYS A 45 -2.921 -6.842 5.431 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.462 -5.696 2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.532 -5.161 5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.490 -6.559 5.032 1.00 0.00 H new ATOM 700 N LYS A 46 -1.174 -8.753 3.149 1.00 0.00 N ATOM 701 CA LYS A 46 -0.755 -9.848 2.252 1.00 0.00 C ATOM 702 C LYS A 46 -1.750 -10.032 1.097 1.00 0.00 C ATOM 703 O LYS A 46 -1.297 -10.125 -0.046 1.00 0.00 O ATOM 704 CB LYS A 46 -0.500 -11.197 2.970 1.00 0.00 C ATOM 705 CG LYS A 46 0.847 -11.466 3.682 1.00 0.00 C ATOM 706 CD LYS A 46 1.541 -10.297 4.384 1.00 0.00 C ATOM 707 CE LYS A 46 2.552 -10.727 5.466 1.00 0.00 C ATOM 708 NZ LYS A 46 3.852 -11.241 4.963 1.00 0.00 N ATOM 0 H LYS A 46 -1.202 -8.999 4.139 1.00 0.00 H new ATOM 0 HA LYS A 46 0.209 -9.535 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.287 -11.319 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.636 -11.986 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.681 -12.248 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.539 -11.869 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.058 -9.693 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.784 -9.660 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.746 -9.874 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.091 -11.499 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.551 -11.230 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.731 -12.215 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.185 -10.638 4.184 1.00 0.00 H new ATOM 722 N LYS A 47 -3.073 -10.058 1.342 1.00 0.00 N ATOM 723 CA LYS A 47 -4.019 -10.116 0.221 1.00 0.00 C ATOM 724 C LYS A 47 -3.875 -8.885 -0.663 1.00 0.00 C ATOM 725 O LYS A 47 -3.800 -9.077 -1.869 1.00 0.00 O ATOM 726 CB LYS A 47 -5.497 -10.332 0.621 1.00 0.00 C ATOM 727 CG LYS A 47 -6.400 -10.239 -0.639 1.00 0.00 C ATOM 728 CD LYS A 47 -7.848 -10.715 -0.463 1.00 0.00 C ATOM 729 CE LYS A 47 -8.767 -10.273 -1.627 1.00 0.00 C ATOM 730 NZ LYS A 47 -8.351 -10.745 -2.976 1.00 0.00 N ATOM 0 H LYS A 47 -3.496 -10.040 2.270 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.745 -11.011 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.617 -11.306 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.799 -9.583 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.417 -9.202 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.940 -10.824 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.862 -11.802 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.243 -10.325 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.777 -10.633 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.814 -9.184 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.195 -10.915 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.756 -10.022 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.811 -11.629 -2.883 1.00 0.00 H new ATOM 744 N ILE A 48 -3.874 -7.665 -0.120 1.00 0.00 N ATOM 745 CA ILE A 48 -3.871 -6.443 -0.928 1.00 0.00 C ATOM 746 C ILE A 48 -2.706 -6.497 -1.914 1.00 0.00 C ATOM 747 O ILE A 48 -2.922 -6.282 -3.103 1.00 0.00 O ATOM 748 CB ILE A 48 -3.843 -5.184 -0.023 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.173 -4.999 0.743 1.00 0.00 C ATOM 750 CG2 ILE A 48 -3.482 -3.890 -0.776 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.389 -4.568 -0.092 1.00 0.00 C ATOM 0 H ILE A 48 -3.875 -7.497 0.886 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.792 -6.375 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.043 -5.368 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.415 -5.939 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.016 -4.257 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.482 -3.052 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.492 -3.992 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.216 -3.709 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.260 -4.472 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.183 -3.609 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.588 -5.317 -0.858 1.00 0.00 H new ATOM 763 N MET A 49 -1.509 -6.860 -1.452 1.00 0.00 N ATOM 764 CA MET A 49 -0.354 -6.958 -2.331 1.00 0.00 C ATOM 765 C MET A 49 -0.540 -8.096 -3.332 1.00 0.00 C ATOM 766 O MET A 49 -0.528 -7.840 -4.529 1.00 0.00 O ATOM 767 CB MET A 49 0.950 -7.069 -1.529 1.00 0.00 C ATOM 768 CG MET A 49 1.118 -5.883 -0.570 1.00 0.00 C ATOM 769 SD MET A 49 0.852 -4.228 -1.264 1.00 0.00 S ATOM 770 CE MET A 49 0.649 -3.290 0.276 1.00 0.00 C ATOM 0 H MET A 49 -1.319 -7.089 -0.476 1.00 0.00 H new ATOM 0 HA MET A 49 -0.273 -6.038 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.953 -8.000 -0.963 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.798 -7.109 -2.213 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.427 -6.018 0.262 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.126 -5.920 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.864 -2.237 0.092 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.375 -3.394 0.633 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.337 -3.674 1.029 1.00 0.00 H new ATOM 780 N ARG A 50 -0.766 -9.346 -2.904 1.00 0.00 N ATOM 781 CA ARG A 50 -0.823 -10.477 -3.849 1.00 0.00 C ATOM 782 C ARG A 50 -1.913 -10.237 -4.903 1.00 0.00 C ATOM 783 O ARG A 50 -1.756 -10.632 -6.056 1.00 0.00 O ATOM 784 CB ARG A 50 -1.050 -11.780 -3.056 1.00 0.00 C ATOM 785 CG ARG A 50 -0.644 -13.107 -3.738 1.00 0.00 C ATOM 786 CD ARG A 50 -1.552 -13.658 -4.853 1.00 0.00 C ATOM 787 NE ARG A 50 -1.088 -13.290 -6.204 1.00 0.00 N ATOM 788 CZ ARG A 50 -0.493 -14.058 -7.129 1.00 0.00 C ATOM 789 NH1 ARG A 50 -0.191 -15.332 -6.879 1.00 0.00 N ATOM 790 NH2 ARG A 50 -0.201 -13.535 -8.317 1.00 0.00 N ATOM 0 H ARG A 50 -0.911 -9.600 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 50 0.120 -10.567 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.502 -11.703 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.109 -11.841 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.354 -12.975 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.567 -13.870 -2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.599 -14.744 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.565 -13.284 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.241 -12.318 -6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.412 -15.740 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.261 -15.899 -7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.430 -12.561 -8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.251 -14.108 -9.029 1.00 0.00 H new ATOM 804 N SER A 51 -3.016 -9.615 -4.500 1.00 0.00 N ATOM 805 CA SER A 51 -4.184 -9.348 -5.319 1.00 0.00 C ATOM 806 C SER A 51 -4.006 -8.115 -6.217 1.00 0.00 C ATOM 807 O SER A 51 -4.571 -8.124 -7.306 1.00 0.00 O ATOM 808 CB SER A 51 -5.374 -9.162 -4.359 1.00 0.00 C ATOM 809 OG SER A 51 -6.655 -9.348 -4.934 1.00 0.00 O ATOM 0 H SER A 51 -3.121 -9.268 -3.546 1.00 0.00 H new ATOM 0 HA SER A 51 -4.351 -10.183 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.262 -9.860 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.326 -8.158 -3.939 1.00 0.00 H new ATOM 0 HG SER A 51 -7.124 -8.488 -4.973 1.00 0.00 H new ATOM 815 N PHE A 52 -3.254 -7.079 -5.813 1.00 0.00 N ATOM 816 CA PHE A 52 -3.166 -5.822 -6.564 1.00 0.00 C ATOM 817 C PHE A 52 -1.770 -5.169 -6.523 1.00 0.00 C ATOM 818 O PHE A 52 -1.678 -3.946 -6.606 1.00 0.00 O ATOM 819 CB PHE A 52 -4.200 -4.833 -5.970 1.00 0.00 C ATOM 820 CG PHE A 52 -5.594 -5.355 -5.658 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.443 -5.789 -6.693 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.068 -5.344 -4.331 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.753 -6.209 -6.406 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.383 -5.755 -4.044 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.227 -6.183 -5.083 1.00 0.00 C ATOM 0 H PHE A 52 -2.694 -7.091 -4.961 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.368 -6.055 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.782 -4.427 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.304 -4.001 -6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.086 -5.799 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.419 -5.019 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.396 -6.552 -7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.743 -5.742 -3.026 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.239 -6.492 -4.865 1.00 0.00 H new ATOM 835 N LEU A 53 -0.672 -5.928 -6.579 1.00 0.00 N ATOM 836 CA LEU A 53 0.687 -5.391 -6.401 1.00 0.00 C ATOM 837 C LEU A 53 1.013 -4.298 -7.416 1.00 0.00 C ATOM 838 O LEU A 53 1.330 -3.178 -7.023 1.00 0.00 O ATOM 839 CB LEU A 53 1.739 -6.516 -6.431 1.00 0.00 C ATOM 840 CG LEU A 53 3.166 -6.095 -6.016 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.212 -5.276 -4.717 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.970 -7.388 -5.817 1.00 0.00 C ATOM 0 H LEU A 53 -0.697 -6.933 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 53 0.720 -4.927 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.408 -7.318 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.778 -6.928 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 53 3.575 -5.453 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.245 -5.016 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.627 -4.365 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.796 -5.866 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.990 -7.141 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.503 -7.991 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.989 -7.952 -6.750 1.00 0.00 H new ATOM 854 N ARG A 54 0.936 -4.608 -8.713 1.00 0.00 N ATOM 855 CA ARG A 54 1.158 -3.630 -9.780 1.00 0.00 C ATOM 856 C ARG A 54 0.343 -2.344 -9.575 1.00 0.00 C ATOM 857 O ARG A 54 0.831 -1.270 -9.916 1.00 0.00 O ATOM 858 CB ARG A 54 0.859 -4.284 -11.147 1.00 0.00 C ATOM 859 CG ARG A 54 1.297 -3.451 -12.366 1.00 0.00 C ATOM 860 CD ARG A 54 2.816 -3.487 -12.574 1.00 0.00 C ATOM 861 NE ARG A 54 3.277 -2.401 -13.452 1.00 0.00 N ATOM 862 CZ ARG A 54 4.551 -1.993 -13.510 1.00 0.00 C ATOM 863 NH1 ARG A 54 5.537 -2.775 -13.084 1.00 0.00 N ATOM 864 NH2 ARG A 54 4.855 -0.793 -13.983 1.00 0.00 N ATOM 0 H ARG A 54 0.718 -5.545 -9.052 1.00 0.00 H new ATOM 0 HA ARG A 54 2.204 -3.326 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.357 -5.253 -11.188 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.212 -4.472 -11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.800 -3.828 -13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.974 -2.418 -12.234 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.316 -3.410 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.100 -4.447 -13.005 1.00 0.00 H new ATOM 0 HE ARG A 54 2.592 -1.935 -14.047 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.328 -3.699 -12.707 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.503 -2.451 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.115 -0.170 -14.307 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.829 -0.492 -14.023 1.00 0.00 H new ATOM 878 N ARG A 55 -0.885 -2.412 -9.036 1.00 0.00 N ATOM 879 CA ARG A 55 -1.646 -1.213 -8.753 1.00 0.00 C ATOM 880 C ARG A 55 -0.982 -0.466 -7.583 1.00 0.00 C ATOM 881 O ARG A 55 -0.750 0.730 -7.710 1.00 0.00 O ATOM 882 CB ARG A 55 -3.126 -1.549 -8.474 1.00 0.00 C ATOM 883 CG ARG A 55 -4.023 -1.919 -9.682 1.00 0.00 C ATOM 884 CD ARG A 55 -4.505 -0.789 -10.634 1.00 0.00 C ATOM 885 NE ARG A 55 -5.875 -0.299 -10.328 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.430 0.893 -10.637 1.00 0.00 C ATOM 887 NH1 ARG A 55 -5.793 1.767 -11.410 1.00 0.00 N ATOM 888 NH2 ARG A 55 -7.622 1.233 -10.150 1.00 0.00 N ATOM 0 H ARG A 55 -1.358 -3.283 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.644 -0.558 -9.624 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.154 -2.380 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.575 -0.691 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.481 -2.648 -10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.908 -2.422 -9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.807 0.047 -10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.479 -1.154 -11.661 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.474 -0.948 -9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.870 1.542 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.228 2.662 -11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.125 0.591 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.032 2.136 -10.390 1.00 0.00 H new ATOM 902 N ILE A 56 -0.646 -1.117 -6.467 1.00 0.00 N ATOM 903 CA ILE A 56 -0.115 -0.404 -5.296 1.00 0.00 C ATOM 904 C ILE A 56 1.148 0.404 -5.647 1.00 0.00 C ATOM 905 O ILE A 56 1.345 1.473 -5.072 1.00 0.00 O ATOM 906 CB ILE A 56 0.077 -1.356 -4.092 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.203 -2.151 -3.730 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.544 -0.581 -2.846 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.529 -1.379 -3.825 1.00 0.00 C ATOM 0 H ILE A 56 -0.730 -2.126 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.858 0.329 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 56 0.839 -2.070 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.264 -3.020 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.097 -2.527 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.672 -1.273 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.494 -0.089 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.202 0.169 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.353 -2.037 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.503 -0.526 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.672 -1.026 -4.846 1.00 0.00 H new ATOM 921 N SER A 57 1.933 -0.015 -6.643 1.00 0.00 N ATOM 922 CA SER A 57 3.069 0.773 -7.096 1.00 0.00 C ATOM 923 C SER A 57 2.568 2.051 -7.782 1.00 0.00 C ATOM 924 O SER A 57 2.874 3.140 -7.295 1.00 0.00 O ATOM 925 CB SER A 57 3.932 -0.098 -8.024 1.00 0.00 C ATOM 926 OG SER A 57 4.985 0.637 -8.593 1.00 0.00 O ATOM 0 H SER A 57 1.799 -0.892 -7.146 1.00 0.00 H new ATOM 0 HA SER A 57 3.689 1.086 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.337 -0.939 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.309 -0.515 -8.816 1.00 0.00 H new ATOM 0 HG SER A 57 4.975 0.522 -9.566 1.00 0.00 H new ATOM 932 N TRP A 58 1.734 1.943 -8.832 1.00 0.00 N ATOM 933 CA TRP A 58 1.086 3.087 -9.493 1.00 0.00 C ATOM 934 C TRP A 58 0.539 4.058 -8.447 1.00 0.00 C ATOM 935 O TRP A 58 0.719 5.269 -8.573 1.00 0.00 O ATOM 936 CB TRP A 58 -0.019 2.640 -10.481 1.00 0.00 C ATOM 937 CG TRP A 58 -1.287 3.466 -10.489 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.425 4.725 -10.957 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.571 3.163 -9.875 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.698 5.199 -10.683 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.448 4.277 -9.978 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.067 2.053 -9.187 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.743 4.259 -9.415 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.323 2.031 -8.589 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.182 3.123 -8.700 1.00 0.00 C ATOM 0 H TRP A 58 1.489 1.045 -9.250 1.00 0.00 H new ATOM 0 HA TRP A 58 1.841 3.603 -10.086 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.399 2.646 -11.487 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.285 1.608 -10.253 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.655 5.282 -11.470 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.040 6.117 -10.967 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.447 1.172 -9.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.396 5.112 -9.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.635 1.159 -8.033 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.163 3.101 -8.249 1.00 0.00 H new ATOM 956 N ASP A 59 -0.183 3.527 -7.460 1.00 0.00 N ATOM 957 CA ASP A 59 -0.791 4.298 -6.394 1.00 0.00 C ATOM 958 C ASP A 59 0.217 5.230 -5.733 1.00 0.00 C ATOM 959 O ASP A 59 -0.024 6.438 -5.704 1.00 0.00 O ATOM 960 CB ASP A 59 -1.457 3.373 -5.359 1.00 0.00 C ATOM 961 CG ASP A 59 -2.788 2.854 -5.860 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.044 1.631 -5.804 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.719 3.707 -6.349 1.00 0.00 O ATOM 0 H ASP A 59 -0.361 2.525 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.567 4.922 -6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.796 2.534 -5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.604 3.915 -4.425 1.00 0.00 H new ATOM 969 N ILE A 60 1.287 4.682 -5.145 1.00 0.00 N ATOM 970 CA ILE A 60 2.284 5.502 -4.465 1.00 0.00 C ATOM 971 C ILE A 60 2.936 6.463 -5.471 1.00 0.00 C ATOM 972 O ILE A 60 3.080 7.646 -5.181 1.00 0.00 O ATOM 973 CB ILE A 60 3.329 4.675 -3.687 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.772 3.563 -2.766 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.099 5.652 -2.776 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.378 3.734 -2.173 1.00 0.00 C ATOM 0 H ILE A 60 1.480 3.681 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 60 1.767 6.086 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 60 3.928 4.173 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.779 2.631 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.470 3.439 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.850 5.104 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.589 6.410 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.403 6.134 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.138 2.870 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.350 4.637 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.648 3.817 -2.978 1.00 0.00 H new ATOM 988 N LEU A 61 3.337 5.958 -6.645 1.00 0.00 N ATOM 989 CA LEU A 61 4.083 6.709 -7.658 1.00 0.00 C ATOM 990 C LEU A 61 3.309 7.926 -8.163 1.00 0.00 C ATOM 991 O LEU A 61 3.897 8.985 -8.347 1.00 0.00 O ATOM 992 CB LEU A 61 4.443 5.803 -8.848 1.00 0.00 C ATOM 993 CG LEU A 61 5.473 4.703 -8.530 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.529 3.717 -9.700 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.879 5.255 -8.284 1.00 0.00 C ATOM 0 H LEU A 61 3.147 4.995 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 61 4.994 7.065 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.532 5.333 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.832 6.424 -9.655 1.00 0.00 H new ATOM 0 HG LEU A 61 5.148 4.214 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.256 2.935 -9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.546 3.268 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.824 4.245 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.560 4.432 -8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.223 5.784 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.857 5.943 -7.439 1.00 0.00 H new ATOM 1007 N THR A 62 1.994 7.813 -8.359 1.00 0.00 N ATOM 1008 CA THR A 62 1.146 8.948 -8.738 1.00 0.00 C ATOM 1009 C THR A 62 0.802 9.835 -7.528 1.00 0.00 C ATOM 1010 O THR A 62 -0.109 10.660 -7.608 1.00 0.00 O ATOM 1011 CB THR A 62 -0.098 8.467 -9.516 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.844 7.453 -8.857 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.300 7.935 -10.897 1.00 0.00 C ATOM 0 H THR A 62 1.486 6.934 -8.260 1.00 0.00 H new ATOM 0 HA THR A 62 1.712 9.587 -9.416 1.00 0.00 H new ATOM 0 HB THR A 62 -0.734 9.349 -9.594 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.328 6.620 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.591 7.601 -11.429 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.787 8.727 -11.466 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.988 7.098 -10.780 1.00 0.00 H new ATOM 1021 N GLY A 63 1.500 9.647 -6.401 1.00 0.00 N ATOM 1022 CA GLY A 63 1.284 10.265 -5.106 1.00 0.00 C ATOM 1023 C GLY A 63 -0.196 10.352 -4.784 1.00 0.00 C ATOM 1024 O GLY A 63 -0.643 11.340 -4.185 1.00 0.00 O ATOM 0 H GLY A 63 2.292 9.005 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.794 9.688 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.721 11.264 -5.099 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.943 9.254 -4.954 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.381 9.375 -4.785 1.00 0.00 C ATOM 1030 C LYS A 64 -2.570 9.142 -3.300 1.00 0.00 C ATOM 1031 O LYS A 64 -1.846 8.390 -2.651 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.034 8.278 -5.651 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.574 8.184 -5.615 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.303 8.722 -6.858 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.967 7.910 -8.122 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.991 8.059 -9.183 1.00 0.00 N ATOM 0 H LYS A 64 -0.595 8.326 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.823 10.324 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.728 8.435 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.628 7.315 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.853 7.139 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.933 8.729 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.379 8.696 -6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.030 9.766 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.999 8.230 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.873 6.857 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.526 7.172 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.642 8.831 -8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.525 8.279 -10.086 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.505 9.881 -2.718 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.664 9.816 -1.270 1.00 0.00 C ATOM 1052 C LYS A 65 -4.290 8.469 -0.906 1.00 0.00 C ATOM 1053 O LYS A 65 -5.087 7.963 -1.691 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.351 11.102 -0.776 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.498 12.362 -1.080 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.331 12.697 -0.123 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.266 11.624 0.172 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.441 11.179 -0.979 1.00 0.00 N ATOM 0 H LYS A 65 -4.144 10.511 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.722 9.817 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.326 11.199 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.526 11.032 0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.086 12.252 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.168 13.221 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.815 13.568 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.765 12.998 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.598 12.008 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.767 10.751 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.052 10.297 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.054 11.014 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.258 11.914 -1.210 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.141 7.978 0.330 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.587 6.648 0.733 1.00 0.00 C ATOM 1074 C PRO A 66 -6.094 6.495 0.600 1.00 0.00 C ATOM 1075 O PRO A 66 -6.568 5.523 0.022 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.088 6.450 2.166 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.819 7.871 2.648 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.348 8.565 1.384 1.00 0.00 C ATOM 0 HA PRO A 66 -4.179 5.874 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.833 5.950 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.186 5.838 2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.716 8.337 3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.061 7.897 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.502 9.643 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.283 8.403 1.216 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.847 7.461 1.125 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.302 7.449 1.086 1.00 0.00 C ATOM 1088 C GLN A 67 -8.784 7.327 -0.367 1.00 0.00 C ATOM 1089 O GLN A 67 -9.722 6.581 -0.636 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.799 8.745 1.755 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.245 8.661 2.260 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.354 7.830 3.543 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.492 7.886 4.422 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.406 7.044 3.685 1.00 0.00 N ATOM 0 H GLN A 67 -6.457 8.279 1.593 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.706 6.593 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.144 8.986 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.719 9.566 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.624 9.666 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.875 8.220 1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.115 7.004 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.509 6.478 4.527 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.106 8.006 -1.300 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.456 7.987 -2.709 1.00 0.00 C ATOM 1105 C ALA A 68 -7.962 6.703 -3.377 1.00 0.00 C ATOM 1106 O ALA A 68 -8.658 6.206 -4.252 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.866 9.218 -3.406 1.00 0.00 C ATOM 0 H ALA A 68 -7.294 8.586 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.542 8.014 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.131 9.200 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.266 10.122 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.781 9.209 -3.304 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.818 6.139 -2.965 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.327 4.851 -3.461 1.00 0.00 C ATOM 1115 C ILE A 69 -7.416 3.798 -3.241 1.00 0.00 C ATOM 1116 O ILE A 69 -7.905 3.207 -4.196 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.968 4.487 -2.803 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.857 5.405 -3.358 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.632 2.998 -3.021 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.547 5.398 -2.567 1.00 0.00 C ATOM 0 H ILE A 69 -6.205 6.569 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.124 4.902 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.041 4.646 -1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.644 5.109 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.236 6.426 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.676 2.768 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.412 2.380 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.570 2.792 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.834 6.074 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.737 5.726 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.136 4.389 -2.553 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.824 3.585 -1.992 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.887 2.669 -1.591 1.00 0.00 C ATOM 1134 C CYS A 70 -10.171 2.920 -2.390 1.00 0.00 C ATOM 1135 O CYS A 70 -10.890 1.958 -2.626 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.101 2.857 -0.082 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.569 2.733 0.885 1.00 0.00 S ATOM 0 H CYS A 70 -7.404 4.068 -1.198 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.606 1.637 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.555 3.832 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.808 2.107 0.273 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.562 4.156 -2.710 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.720 4.343 -3.595 1.00 0.00 C ATOM 1144 C VAL A 71 -11.378 3.840 -5.016 1.00 0.00 C ATOM 1145 O VAL A 71 -12.086 2.980 -5.520 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.224 5.801 -3.533 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.332 6.095 -4.553 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.803 6.095 -2.135 1.00 0.00 C ATOM 0 H VAL A 71 -10.116 5.014 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.560 3.738 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.362 6.429 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.645 7.135 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.956 5.917 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.184 5.442 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.157 7.125 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.634 5.418 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.028 5.950 -1.382 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.263 4.265 -5.618 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.840 3.987 -7.004 1.00 0.00 C ATOM 1160 C ASP A 72 -9.731 2.484 -7.316 1.00 0.00 C ATOM 1161 O ASP A 72 -10.230 2.000 -8.331 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.511 4.719 -7.262 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.104 4.859 -8.734 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.059 3.850 -9.475 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.665 5.983 -9.081 1.00 0.00 O ATOM 0 H ASP A 72 -9.587 4.848 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.610 4.359 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.576 5.716 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.718 4.190 -6.733 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.058 1.713 -6.457 1.00 0.00 N ATOM 1171 CA ILE A 73 -8.980 0.246 -6.582 1.00 0.00 C ATOM 1172 C ILE A 73 -10.189 -0.498 -5.993 1.00 0.00 C ATOM 1173 O ILE A 73 -10.238 -1.724 -6.033 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.630 -0.288 -6.082 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.120 0.429 -4.828 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.622 -0.223 -7.218 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.119 -0.403 -4.052 1.00 0.00 C ATOM 0 H ILE A 73 -8.550 2.084 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.033 0.027 -7.648 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.771 -1.324 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.658 1.373 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.964 0.671 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.660 -0.600 -6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.973 -0.832 -8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.510 0.810 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.789 0.151 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.587 -1.336 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.260 -0.623 -4.686 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.158 0.253 -5.483 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.464 -0.127 -4.980 1.00 0.00 C ATOM 1191 C LYS A 74 -12.347 -1.072 -3.789 1.00 0.00 C ATOM 1192 O LYS A 74 -12.513 -2.287 -3.874 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.317 -0.619 -6.156 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.774 -0.619 -5.714 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.748 -1.260 -6.712 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.571 -0.871 -8.194 1.00 0.00 C ATOM 1197 NZ LYS A 74 -15.905 0.542 -8.467 1.00 0.00 N ATOM 0 H LYS A 74 -11.026 1.261 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.995 0.728 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.182 0.029 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.010 -1.621 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.851 -1.146 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.085 0.410 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.656 -2.343 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.763 -1.003 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.539 -1.058 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.202 -1.513 -8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.766 0.742 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.897 0.720 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.287 1.160 -7.904 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.113 -0.458 -2.635 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.822 -1.111 -1.370 1.00 0.00 C ATOM 1213 C ILE A 75 -12.676 -0.479 -0.255 1.00 0.00 C ATOM 1214 O ILE A 75 -12.952 -1.108 0.766 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.355 -0.738 -1.004 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.293 -0.889 -2.107 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.889 -1.603 0.178 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -9.045 -2.283 -2.605 1.00 0.00 C ATOM 0 H ILE A 75 -12.122 0.559 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.004 -2.182 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.416 0.329 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.589 -0.271 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.352 -0.487 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.862 -1.344 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.535 -1.424 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.938 -2.656 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.278 -2.262 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.710 -2.910 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.967 -2.691 -3.019 1.00 0.00 H new