USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot -129:sc= 0.0395 USER MOD Set 1.2: B 131 THR OG1 : rot -58:sc= 0.833 USER MOD Set 2.1: A 13 SER OG : rot 120:sc= -1.11! USER MOD Set 2.2: B 133 GLN : amide:sc= -0.619 X(o=-1.7,f=-1.5) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.457 K(o=-0.46,f=-2.4) USER MOD Single : A 6 THR OG1 : rot -100:sc= -3.45! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -1.54! USER MOD Single : A 15 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.35) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 165:sc= -1.63 USER MOD Single : A 23 ASN : amide:sc= -1.57! C(o=-1.6!,f=-2.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -154:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 32 MET CE :methyl 168:sc= -13.8! (180deg=-14.4!) USER MOD Single : A 33 GLN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.404 K(o=-0.4,f=-1.3!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.6!) USER MOD Single : B 106 THR OG1 : rot -144:sc= -1.92! USER MOD Single : B 108 THR OG1 : rot 38:sc= 0.707 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 33:sc= 1.05 USER MOD Single : B 114 TYR OH : rot 120:sc= -2.62! USER MOD Single : B 115 GLN : amide:sc= 0.258 K(o=0.26,f=-5.2!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 130:sc= -1.85! USER MOD Single : B 123 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -105:sc= 1.01 USER MOD Single : B 130 THR OG1 : rot 81:sc= 1.23 USER MOD Single : B 132 MET CE :methyl -169:sc= -16.4! (180deg=-17.4!) USER MOD Single : B 134 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.150 -11.422 12.945 1.00 0.00 N ATOM 21 CA LYS A 2 3.806 -10.561 11.806 1.00 0.00 C ATOM 22 C LYS A 2 2.479 -10.976 11.166 1.00 0.00 C ATOM 23 O LYS A 2 2.278 -12.146 10.827 1.00 0.00 O ATOM 24 CB LYS A 2 4.929 -10.569 10.759 1.00 0.00 C ATOM 25 CG LYS A 2 5.239 -11.947 10.192 1.00 0.00 C ATOM 26 CD LYS A 2 6.199 -11.863 9.013 1.00 0.00 C ATOM 27 CE LYS A 2 7.502 -11.179 9.396 1.00 0.00 C ATOM 28 NZ LYS A 2 8.620 -11.581 8.497 1.00 0.00 N ATOM 0 HA LYS A 2 3.690 -9.547 12.188 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.653 -9.905 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.834 -10.161 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.673 -12.573 10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.313 -12.428 9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.410 -12.866 8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.727 -11.315 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.372 -10.098 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.755 -11.429 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.492 -11.095 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.761 -12.610 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.389 -11.319 7.517 1.00 0.00 H new ATOM 42 N GLN A 3 1.575 -10.014 11.000 1.00 0.00 N ATOM 43 CA GLN A 3 0.277 -10.288 10.403 1.00 0.00 C ATOM 44 C GLN A 3 0.284 -9.975 8.925 1.00 0.00 C ATOM 45 O GLN A 3 0.513 -8.840 8.516 1.00 0.00 O ATOM 46 CB GLN A 3 -0.831 -9.504 11.112 1.00 0.00 C ATOM 47 CG GLN A 3 -2.173 -9.638 10.417 1.00 0.00 C ATOM 48 CD GLN A 3 -2.701 -11.060 10.381 1.00 0.00 C ATOM 49 OE1 GLN A 3 -2.146 -11.964 10.999 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.784 -11.264 9.646 1.00 0.00 N ATOM 0 H GLN A 3 1.720 -9.041 11.271 1.00 0.00 H new ATOM 0 HA GLN A 3 0.074 -11.352 10.526 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.921 -9.857 12.140 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.553 -8.451 11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.900 -9.003 10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.082 -9.267 9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.216 -10.486 9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.186 -12.199 9.579 1.00 0.00 H new ATOM 59 N ARG A 4 0.044 -10.998 8.120 1.00 0.00 N ATOM 60 CA ARG A 4 0.055 -10.830 6.684 1.00 0.00 C ATOM 61 C ARG A 4 -1.224 -10.180 6.188 1.00 0.00 C ATOM 62 O ARG A 4 -2.279 -10.810 6.102 1.00 0.00 O ATOM 63 CB ARG A 4 0.261 -12.171 5.985 1.00 0.00 C ATOM 64 CG ARG A 4 1.263 -12.095 4.852 1.00 0.00 C ATOM 65 CD ARG A 4 1.699 -13.483 4.412 1.00 0.00 C ATOM 66 NE ARG A 4 3.121 -13.526 4.059 1.00 0.00 N ATOM 67 CZ ARG A 4 4.117 -13.619 4.928 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.874 -13.707 6.223 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.363 -13.625 4.493 1.00 0.00 N ATOM 0 H ARG A 4 -0.159 -11.946 8.438 1.00 0.00 H new ATOM 0 HA ARG A 4 0.888 -10.170 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.599 -12.907 6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.694 -12.523 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.822 -11.564 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.133 -11.521 5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.503 -14.196 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.103 -13.795 3.554 1.00 0.00 H new ATOM 0 HE ARG A 4 3.362 -13.481 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.912 -13.704 6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.648 -13.778 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.555 -13.558 3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.134 -13.696 5.156 1.00 0.00 H new ATOM 83 N ILE A 5 -1.087 -8.915 5.828 1.00 0.00 N ATOM 84 CA ILE A 5 -2.180 -8.133 5.284 1.00 0.00 C ATOM 85 C ILE A 5 -1.885 -7.918 3.817 1.00 0.00 C ATOM 86 O ILE A 5 -0.916 -7.250 3.463 1.00 0.00 O ATOM 87 CB ILE A 5 -2.343 -6.770 6.008 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.735 -5.629 5.188 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.693 -6.834 7.381 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.982 -4.255 5.760 1.00 0.00 C ATOM 0 H ILE A 5 -0.210 -8.401 5.906 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.119 -8.668 5.427 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.408 -6.569 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.660 -5.788 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.140 -5.667 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.811 -5.874 7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.170 -7.615 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.632 -7.058 7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.518 -3.505 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.055 -4.071 5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.551 -4.194 6.759 1.00 0.00 H new ATOM 102 N THR A 6 -2.665 -8.524 2.960 1.00 0.00 N ATOM 103 CA THR A 6 -2.407 -8.408 1.543 1.00 0.00 C ATOM 104 C THR A 6 -3.543 -7.707 0.827 1.00 0.00 C ATOM 105 O THR A 6 -4.699 -8.116 0.918 1.00 0.00 O ATOM 106 CB THR A 6 -2.109 -9.800 0.942 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.840 -10.014 -0.249 1.00 0.00 O ATOM 108 CG2 THR A 6 -2.419 -10.959 1.865 1.00 0.00 C ATOM 0 H THR A 6 -3.473 -9.095 3.210 1.00 0.00 H new ATOM 0 HA THR A 6 -1.524 -7.786 1.400 1.00 0.00 H new ATOM 0 HB THR A 6 -1.035 -9.781 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.627 -10.566 -0.055 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.181 -11.897 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.822 -10.871 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.478 -10.945 2.124 1.00 0.00 H new ATOM 116 N VAL A 7 -3.190 -6.682 0.052 1.00 0.00 N ATOM 117 CA VAL A 7 -4.164 -5.966 -0.753 1.00 0.00 C ATOM 118 C VAL A 7 -4.063 -6.519 -2.165 1.00 0.00 C ATOM 119 O VAL A 7 -3.124 -6.206 -2.902 1.00 0.00 O ATOM 120 CB VAL A 7 -3.965 -4.411 -0.733 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.929 -3.795 -2.144 1.00 0.00 C ATOM 122 CG2 VAL A 7 -5.059 -3.775 0.096 1.00 0.00 C ATOM 0 H VAL A 7 -2.235 -6.333 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.159 -6.121 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.992 -4.209 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.789 -2.717 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.104 -4.228 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.868 -4.003 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.922 -2.694 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.030 -4.012 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.014 -4.161 1.115 1.00 0.00 H new ATOM 132 N THR A 8 -5.000 -7.389 -2.524 1.00 0.00 N ATOM 133 CA THR A 8 -4.988 -8.004 -3.840 1.00 0.00 C ATOM 134 C THR A 8 -5.325 -6.953 -4.889 1.00 0.00 C ATOM 135 O THR A 8 -6.388 -6.970 -5.504 1.00 0.00 O ATOM 136 CB THR A 8 -5.960 -9.183 -3.880 1.00 0.00 C ATOM 137 OG1 THR A 8 -7.141 -8.905 -3.151 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.372 -10.447 -3.308 1.00 0.00 C ATOM 0 H THR A 8 -5.772 -7.681 -1.924 1.00 0.00 H new ATOM 0 HA THR A 8 -3.995 -8.397 -4.059 1.00 0.00 H new ATOM 0 HB THR A 8 -6.180 -9.331 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.743 -9.677 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.109 -11.249 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.487 -10.727 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.095 -10.281 -2.267 1.00 0.00 H new ATOM 146 N VAL A 9 -4.398 -6.016 -5.042 1.00 0.00 N ATOM 147 CA VAL A 9 -4.539 -4.900 -5.964 1.00 0.00 C ATOM 148 C VAL A 9 -4.212 -5.323 -7.416 1.00 0.00 C ATOM 149 O VAL A 9 -4.737 -6.340 -7.861 1.00 0.00 O ATOM 150 CB VAL A 9 -3.693 -3.709 -5.440 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.226 -4.071 -5.348 1.00 0.00 C ATOM 152 CG2 VAL A 9 -3.907 -2.439 -6.247 1.00 0.00 C ATOM 0 H VAL A 9 -3.519 -6.011 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.576 -4.568 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.047 -3.496 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.662 -3.215 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.101 -4.911 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.857 -4.349 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.291 -1.639 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.627 -2.616 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.957 -2.150 -6.199 1.00 0.00 H new ATOM 162 N ASP A 10 -3.434 -4.531 -8.181 1.00 0.00 N ATOM 163 CA ASP A 10 -3.153 -4.824 -9.609 1.00 0.00 C ATOM 164 C ASP A 10 -4.207 -4.127 -10.484 1.00 0.00 C ATOM 165 O ASP A 10 -4.171 -4.175 -11.714 1.00 0.00 O ATOM 166 CB ASP A 10 -3.160 -6.319 -9.897 1.00 0.00 C ATOM 167 CG ASP A 10 -2.387 -6.689 -11.145 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.996 -6.708 -12.236 1.00 0.00 O ATOM 169 OD2 ASP A 10 -1.179 -6.974 -11.033 1.00 0.00 O ATOM 0 H ASP A 10 -2.987 -3.681 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.156 -4.449 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.736 -6.849 -9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.191 -6.658 -10.002 1.00 0.00 H new ATOM 174 N SER A 11 -5.116 -3.442 -9.804 1.00 0.00 N ATOM 175 CA SER A 11 -6.173 -2.670 -10.436 1.00 0.00 C ATOM 176 C SER A 11 -6.311 -1.344 -9.705 1.00 0.00 C ATOM 177 O SER A 11 -6.222 -0.286 -10.322 1.00 0.00 O ATOM 178 CB SER A 11 -7.506 -3.431 -10.441 1.00 0.00 C ATOM 179 OG SER A 11 -8.213 -3.217 -11.661 1.00 0.00 O ATOM 0 H SER A 11 -5.139 -3.407 -8.785 1.00 0.00 H new ATOM 0 HA SER A 11 -5.908 -2.493 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.321 -4.497 -10.306 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.118 -3.105 -9.600 1.00 0.00 H new ATOM 0 HG SER A 11 -9.058 -3.713 -11.641 1.00 0.00 H new ATOM 185 N ASP A 12 -6.537 -1.415 -8.383 1.00 0.00 N ATOM 186 CA ASP A 12 -6.701 -0.226 -7.558 1.00 0.00 C ATOM 187 C ASP A 12 -5.632 0.845 -7.884 1.00 0.00 C ATOM 188 O ASP A 12 -5.888 1.724 -8.709 1.00 0.00 O ATOM 189 CB ASP A 12 -6.687 -0.627 -6.081 1.00 0.00 C ATOM 190 CG ASP A 12 -7.469 -1.899 -5.784 1.00 0.00 C ATOM 191 OD1 ASP A 12 -7.139 -2.953 -6.370 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.400 -1.843 -4.954 1.00 0.00 O ATOM 0 H ASP A 12 -6.609 -2.293 -7.868 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.664 0.232 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.654 -0.763 -5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.100 0.189 -5.488 1.00 0.00 H new ATOM 197 N SER A 13 -4.440 0.800 -7.250 1.00 0.00 N ATOM 198 CA SER A 13 -3.376 1.796 -7.523 1.00 0.00 C ATOM 199 C SER A 13 -2.142 1.582 -6.613 1.00 0.00 C ATOM 200 O SER A 13 -1.512 2.537 -6.155 1.00 0.00 O ATOM 201 CB SER A 13 -3.914 3.217 -7.343 1.00 0.00 C ATOM 202 OG SER A 13 -3.808 3.950 -8.551 1.00 0.00 O ATOM 0 H SER A 13 -4.191 0.096 -6.555 1.00 0.00 H new ATOM 0 HA SER A 13 -3.060 1.658 -8.557 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.956 3.179 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.358 3.724 -6.554 1.00 0.00 H new ATOM 0 HG SER A 13 -4.700 4.237 -8.839 1.00 0.00 H new ATOM 208 N TYR A 14 -1.820 0.314 -6.356 1.00 0.00 N ATOM 209 CA TYR A 14 -0.688 -0.088 -5.500 1.00 0.00 C ATOM 210 C TYR A 14 0.664 -0.116 -6.225 1.00 0.00 C ATOM 211 O TYR A 14 1.682 0.286 -5.658 1.00 0.00 O ATOM 212 CB TYR A 14 -0.992 -1.466 -4.943 1.00 0.00 C ATOM 213 CG TYR A 14 0.193 -2.393 -4.896 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.522 -3.191 -5.977 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.953 -2.481 -3.758 1.00 0.00 C ATOM 216 CE1 TYR A 14 1.589 -4.058 -5.919 1.00 0.00 C ATOM 217 CE2 TYR A 14 2.022 -3.351 -3.680 1.00 0.00 C ATOM 218 CZ TYR A 14 2.336 -4.141 -4.768 1.00 0.00 C ATOM 219 OH TYR A 14 3.382 -5.028 -4.699 1.00 0.00 O ATOM 0 H TYR A 14 -2.340 -0.477 -6.737 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.589 0.661 -4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.393 -1.357 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.773 -1.925 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.067 -3.133 -6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.711 -1.859 -2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.838 -4.670 -6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.608 -3.413 -2.775 1.00 0.00 H new ATOM 0 HH TYR A 14 3.809 -4.963 -3.819 1.00 0.00 H new ATOM 229 N GLN A 15 0.684 -0.654 -7.447 1.00 0.00 N ATOM 230 CA GLN A 15 1.936 -0.808 -8.200 1.00 0.00 C ATOM 231 C GLN A 15 2.767 0.474 -8.250 1.00 0.00 C ATOM 232 O GLN A 15 3.987 0.415 -8.153 1.00 0.00 O ATOM 233 CB GLN A 15 1.671 -1.294 -9.633 1.00 0.00 C ATOM 234 CG GLN A 15 0.532 -2.294 -9.768 1.00 0.00 C ATOM 235 CD GLN A 15 -0.727 -1.667 -10.331 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.688 -0.962 -11.336 1.00 0.00 O ATOM 237 NE2 GLN A 15 -1.851 -1.915 -9.681 1.00 0.00 N ATOM 0 H GLN A 15 -0.146 -0.989 -7.936 1.00 0.00 H new ATOM 0 HA GLN A 15 2.512 -1.558 -7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.453 -0.430 -10.260 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.582 -1.748 -10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.847 -3.113 -10.415 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.314 -2.725 -8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.840 -2.506 -8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.730 -1.515 -10.011 1.00 0.00 H new ATOM 246 N LEU A 16 2.117 1.621 -8.415 1.00 0.00 N ATOM 247 CA LEU A 16 2.826 2.905 -8.499 1.00 0.00 C ATOM 248 C LEU A 16 3.702 3.191 -7.267 1.00 0.00 C ATOM 249 O LEU A 16 4.896 3.461 -7.398 1.00 0.00 O ATOM 250 CB LEU A 16 1.822 4.046 -8.675 1.00 0.00 C ATOM 251 CG LEU A 16 2.127 5.020 -9.815 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.902 5.859 -10.143 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.300 5.919 -9.451 1.00 0.00 C ATOM 0 H LEU A 16 1.103 1.694 -8.494 1.00 0.00 H new ATOM 0 HA LEU A 16 3.488 2.838 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.835 3.616 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.771 4.609 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 16 2.396 4.439 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.138 6.546 -10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.084 5.206 -10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.604 6.428 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.502 6.605 -10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.057 6.490 -8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.183 5.307 -9.263 1.00 0.00 H new ATOM 265 N LEU A 17 3.090 3.184 -6.084 1.00 0.00 N ATOM 266 CA LEU A 17 3.846 3.506 -4.861 1.00 0.00 C ATOM 267 C LEU A 17 5.085 2.638 -4.704 1.00 0.00 C ATOM 268 O LEU A 17 6.181 3.137 -4.436 1.00 0.00 O ATOM 269 CB LEU A 17 3.024 3.427 -3.602 1.00 0.00 C ATOM 270 CG LEU A 17 3.352 4.537 -2.605 1.00 0.00 C ATOM 271 CD1 LEU A 17 2.104 5.123 -1.996 1.00 0.00 C ATOM 272 CD2 LEU A 17 4.278 4.016 -1.529 1.00 0.00 C ATOM 0 H LEU A 17 2.104 2.967 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 17 4.148 4.545 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.967 3.480 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.188 2.460 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 17 3.856 5.337 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.377 5.909 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.477 5.542 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.554 4.342 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.504 4.817 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.796 3.194 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.203 3.662 -1.985 1.00 0.00 H new ATOM 284 N LYS A 18 4.916 1.344 -4.886 1.00 0.00 N ATOM 285 CA LYS A 18 6.029 0.413 -4.782 1.00 0.00 C ATOM 286 C LYS A 18 6.937 0.548 -5.998 1.00 0.00 C ATOM 287 O LYS A 18 8.134 0.266 -5.937 1.00 0.00 O ATOM 288 CB LYS A 18 5.506 -1.006 -4.663 1.00 0.00 C ATOM 289 CG LYS A 18 4.718 -1.422 -5.879 1.00 0.00 C ATOM 290 CD LYS A 18 4.938 -2.891 -6.188 1.00 0.00 C ATOM 291 CE LYS A 18 4.671 -3.218 -7.646 1.00 0.00 C ATOM 292 NZ LYS A 18 5.583 -4.293 -8.133 1.00 0.00 N ATOM 0 H LYS A 18 4.020 0.910 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 18 6.609 0.646 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.343 -1.690 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.876 -1.087 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.657 -1.236 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.016 -0.817 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.964 -3.163 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.286 -3.495 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.635 -3.534 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.804 -2.322 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.378 -4.496 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.570 -3.980 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.438 -5.154 -7.568 1.00 0.00 H new ATOM 306 N ALA A 19 6.343 1.007 -7.092 1.00 0.00 N ATOM 307 CA ALA A 19 7.064 1.225 -8.336 1.00 0.00 C ATOM 308 C ALA A 19 8.112 2.312 -8.148 1.00 0.00 C ATOM 309 O ALA A 19 9.150 2.297 -8.809 1.00 0.00 O ATOM 310 CB ALA A 19 6.110 1.594 -9.464 1.00 0.00 C ATOM 0 H ALA A 19 5.351 1.238 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 19 7.563 0.296 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.676 1.751 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.393 0.786 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.577 2.509 -9.205 1.00 0.00 H new ATOM 316 N TYR A 20 7.851 3.245 -7.222 1.00 0.00 N ATOM 317 CA TYR A 20 8.805 4.297 -6.959 1.00 0.00 C ATOM 318 C TYR A 20 9.804 3.852 -5.895 1.00 0.00 C ATOM 319 O TYR A 20 10.999 4.062 -6.096 1.00 0.00 O ATOM 320 CB TYR A 20 8.128 5.655 -6.640 1.00 0.00 C ATOM 321 CG TYR A 20 7.532 5.837 -5.253 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.255 5.565 -4.100 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.228 6.304 -5.108 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.700 5.746 -2.850 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.669 6.486 -3.861 1.00 0.00 C ATOM 326 CZ TYR A 20 6.410 6.204 -2.734 1.00 0.00 C ATOM 327 OH TYR A 20 5.859 6.384 -1.487 1.00 0.00 O ATOM 0 H TYR A 20 7.001 3.282 -6.660 1.00 0.00 H new ATOM 0 HA TYR A 20 9.367 4.480 -7.875 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.866 6.442 -6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.334 5.814 -7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.270 5.205 -4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.644 6.528 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.278 5.528 -1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.656 6.848 -3.768 1.00 0.00 H new ATOM 0 HH TYR A 20 5.048 6.929 -1.563 1.00 0.00 H new ATOM 337 N ASP A 21 9.344 3.187 -4.799 1.00 0.00 N ATOM 338 CA ASP A 21 10.299 2.697 -3.772 1.00 0.00 C ATOM 339 C ASP A 21 9.664 2.322 -2.430 1.00 0.00 C ATOM 340 O ASP A 21 10.381 2.204 -1.435 1.00 0.00 O ATOM 341 CB ASP A 21 11.389 3.744 -3.479 1.00 0.00 C ATOM 342 CG ASP A 21 12.741 3.110 -3.228 1.00 0.00 C ATOM 343 OD1 ASP A 21 13.185 2.303 -4.072 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.352 3.414 -2.182 1.00 0.00 O ATOM 0 H ASP A 21 8.362 2.986 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 21 10.713 1.792 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.464 4.433 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.099 4.333 -2.609 1.00 0.00 H new ATOM 349 N VAL A 22 8.352 2.151 -2.351 1.00 0.00 N ATOM 350 CA VAL A 22 7.753 1.830 -1.061 1.00 0.00 C ATOM 351 C VAL A 22 6.672 0.755 -1.140 1.00 0.00 C ATOM 352 O VAL A 22 5.485 1.053 -1.311 1.00 0.00 O ATOM 353 CB VAL A 22 7.195 3.116 -0.423 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.310 2.812 0.778 1.00 0.00 C ATOM 355 CG2 VAL A 22 8.336 4.037 -0.023 1.00 0.00 C ATOM 0 H VAL A 22 7.701 2.225 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 22 8.542 1.410 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 22 6.575 3.616 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.936 3.745 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.470 2.193 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.890 2.280 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.931 4.943 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.978 3.530 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.918 4.299 -0.906 1.00 0.00 H new ATOM 365 N ASN A 23 7.091 -0.507 -1.015 1.00 0.00 N ATOM 366 CA ASN A 23 6.160 -1.636 -1.060 1.00 0.00 C ATOM 367 C ASN A 23 5.260 -1.654 0.181 1.00 0.00 C ATOM 368 O ASN A 23 5.302 -2.589 0.982 1.00 0.00 O ATOM 369 CB ASN A 23 6.901 -2.966 -1.185 1.00 0.00 C ATOM 370 CG ASN A 23 7.825 -3.024 -2.388 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.386 -3.260 -3.510 1.00 0.00 O ATOM 372 ND2 ASN A 23 9.113 -2.815 -2.165 1.00 0.00 N ATOM 0 H ASN A 23 8.067 -0.772 -0.882 1.00 0.00 H new ATOM 0 HA ASN A 23 5.537 -1.506 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.483 -3.137 -0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.174 -3.775 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.776 -2.847 -2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.442 -2.622 -1.219 1.00 0.00 H new ATOM 379 N ILE A 24 4.491 -0.578 0.319 1.00 0.00 N ATOM 380 CA ILE A 24 3.549 -0.303 1.394 1.00 0.00 C ATOM 381 C ILE A 24 4.010 -0.562 2.837 1.00 0.00 C ATOM 382 O ILE A 24 3.331 -0.101 3.755 1.00 0.00 O ATOM 383 CB ILE A 24 2.195 -0.963 1.182 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.222 -1.900 0.002 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.098 0.076 1.036 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.839 -3.182 0.405 1.00 0.00 C ATOM 0 H ILE A 24 4.513 0.177 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 24 3.471 0.781 1.310 1.00 0.00 H new ATOM 0 HB ILE A 24 1.973 -1.558 2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.209 -2.071 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.786 -1.454 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.141 -0.424 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.051 0.685 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.313 0.714 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.859 -3.860 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.857 -3.003 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.256 -3.629 1.210 1.00 0.00 H new ATOM 398 N SER A 25 5.086 -1.319 3.063 1.00 0.00 N ATOM 399 CA SER A 25 5.507 -1.643 4.424 1.00 0.00 C ATOM 400 C SER A 25 5.304 -0.457 5.390 1.00 0.00 C ATOM 401 O SER A 25 4.468 -0.528 6.304 1.00 0.00 O ATOM 402 CB SER A 25 6.987 -2.043 4.402 1.00 0.00 C ATOM 403 OG SER A 25 7.561 -1.991 5.695 1.00 0.00 O ATOM 0 H SER A 25 5.674 -1.714 2.329 1.00 0.00 H new ATOM 0 HA SER A 25 4.891 -2.467 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.086 -3.051 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.534 -1.378 3.734 1.00 0.00 H new ATOM 0 HG SER A 25 8.504 -2.253 5.645 1.00 0.00 H new ATOM 409 N GLY A 26 6.029 0.643 5.161 1.00 0.00 N ATOM 410 CA GLY A 26 5.881 1.825 6.006 1.00 0.00 C ATOM 411 C GLY A 26 4.707 2.691 5.589 1.00 0.00 C ATOM 412 O GLY A 26 4.178 3.470 6.389 1.00 0.00 O ATOM 0 H GLY A 26 6.712 0.737 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.749 1.513 7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.797 2.415 5.965 1.00 0.00 H new ATOM 416 N LEU A 27 4.298 2.549 4.327 1.00 0.00 N ATOM 417 CA LEU A 27 3.194 3.291 3.779 1.00 0.00 C ATOM 418 C LEU A 27 1.888 2.896 4.457 1.00 0.00 C ATOM 419 O LEU A 27 1.249 3.728 5.103 1.00 0.00 O ATOM 420 CB LEU A 27 3.109 2.989 2.290 1.00 0.00 C ATOM 421 CG LEU A 27 2.407 4.028 1.440 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.470 3.330 0.485 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.655 5.006 2.311 1.00 0.00 C ATOM 0 H LEU A 27 4.735 1.909 3.664 1.00 0.00 H new ATOM 0 HA LEU A 27 3.353 4.356 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.121 2.859 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.595 2.036 2.162 1.00 0.00 H new ATOM 0 HG LEU A 27 3.146 4.592 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.960 4.071 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.039 2.655 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.733 2.759 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.157 5.745 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.911 4.471 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.353 5.510 2.979 1.00 0.00 H new ATOM 435 N VAL A 28 1.500 1.618 4.324 1.00 0.00 N ATOM 436 CA VAL A 28 0.268 1.146 4.948 1.00 0.00 C ATOM 437 C VAL A 28 0.207 1.573 6.409 1.00 0.00 C ATOM 438 O VAL A 28 -0.658 2.335 6.778 1.00 0.00 O ATOM 439 CB VAL A 28 0.100 -0.383 4.825 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.852 -0.920 5.885 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.414 -0.723 3.442 1.00 0.00 C ATOM 0 H VAL A 28 2.014 0.910 3.800 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.560 1.607 4.410 1.00 0.00 H new ATOM 0 HB VAL A 28 1.071 -0.852 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.950 -2.000 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.459 -0.692 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.830 -0.453 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.533 -1.803 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.377 -0.237 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.297 -0.374 2.693 1.00 0.00 H new ATOM 451 N SER A 29 1.137 1.100 7.231 1.00 0.00 N ATOM 452 CA SER A 29 1.161 1.462 8.651 1.00 0.00 C ATOM 453 C SER A 29 1.027 2.973 8.866 1.00 0.00 C ATOM 454 O SER A 29 0.354 3.406 9.807 1.00 0.00 O ATOM 455 CB SER A 29 2.463 0.983 9.278 1.00 0.00 C ATOM 456 OG SER A 29 3.521 1.904 9.072 1.00 0.00 O ATOM 0 H SER A 29 1.884 0.467 6.944 1.00 0.00 H new ATOM 0 HA SER A 29 0.306 0.979 9.125 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.317 0.832 10.348 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.736 0.017 8.854 1.00 0.00 H new ATOM 0 HG SER A 29 4.378 1.430 9.104 1.00 0.00 H new ATOM 462 N THR A 30 1.621 3.775 7.983 1.00 0.00 N ATOM 463 CA THR A 30 1.510 5.218 8.093 1.00 0.00 C ATOM 464 C THR A 30 0.092 5.617 7.765 1.00 0.00 C ATOM 465 O THR A 30 -0.572 6.311 8.537 1.00 0.00 O ATOM 466 CB THR A 30 2.469 5.933 7.142 1.00 0.00 C ATOM 467 OG1 THR A 30 3.814 5.739 7.540 1.00 0.00 O ATOM 468 CG2 THR A 30 2.217 7.424 7.067 1.00 0.00 C ATOM 0 H THR A 30 2.177 3.448 7.193 1.00 0.00 H new ATOM 0 HA THR A 30 1.772 5.509 9.110 1.00 0.00 H new ATOM 0 HB THR A 30 2.290 5.496 6.160 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.032 4.784 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.928 7.879 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.202 7.604 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.340 7.864 8.057 1.00 0.00 H new ATOM 476 N THR A 31 -0.375 5.156 6.609 1.00 0.00 N ATOM 477 CA THR A 31 -1.721 5.454 6.178 1.00 0.00 C ATOM 478 C THR A 31 -2.745 4.899 7.168 1.00 0.00 C ATOM 479 O THR A 31 -3.758 5.539 7.463 1.00 0.00 O ATOM 480 CB THR A 31 -2.002 4.906 4.784 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.981 5.274 3.869 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.313 5.409 4.241 1.00 0.00 C ATOM 0 H THR A 31 0.162 4.578 5.962 1.00 0.00 H new ATOM 0 HA THR A 31 -1.812 6.540 6.141 1.00 0.00 H new ATOM 0 HB THR A 31 -2.039 3.822 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.385 5.679 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.477 4.996 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.123 5.099 4.901 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.289 6.497 4.183 1.00 0.00 H new ATOM 490 N MET A 32 -2.466 3.703 7.683 1.00 0.00 N ATOM 491 CA MET A 32 -3.333 3.045 8.636 1.00 0.00 C ATOM 492 C MET A 32 -3.513 3.864 9.893 1.00 0.00 C ATOM 493 O MET A 32 -4.631 4.201 10.247 1.00 0.00 O ATOM 494 CB MET A 32 -2.766 1.675 8.985 1.00 0.00 C ATOM 495 CG MET A 32 -2.751 0.731 7.806 1.00 0.00 C ATOM 496 SD MET A 32 -4.402 0.336 7.241 1.00 0.00 S ATOM 497 CE MET A 32 -4.165 -1.360 6.803 1.00 0.00 C ATOM 0 H MET A 32 -1.630 3.169 7.446 1.00 0.00 H new ATOM 0 HA MET A 32 -4.314 2.933 8.173 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.751 1.793 9.364 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.357 1.236 9.789 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.186 1.180 6.989 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.234 -0.187 8.084 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.133 -1.830 6.631 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.566 -1.421 5.895 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.650 -1.876 7.613 1.00 0.00 H new ATOM 507 N GLN A 33 -2.416 4.183 10.568 1.00 0.00 N ATOM 508 CA GLN A 33 -2.485 4.964 11.799 1.00 0.00 C ATOM 509 C GLN A 33 -3.180 6.305 11.582 1.00 0.00 C ATOM 510 O GLN A 33 -3.896 6.775 12.458 1.00 0.00 O ATOM 511 CB GLN A 33 -1.089 5.176 12.364 1.00 0.00 C ATOM 512 CG GLN A 33 -1.080 5.699 13.796 1.00 0.00 C ATOM 513 CD GLN A 33 0.106 6.596 14.093 1.00 0.00 C ATOM 514 OE1 GLN A 33 -0.044 7.662 14.684 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.293 6.168 13.690 1.00 0.00 N ATOM 0 H GLN A 33 -1.473 3.915 10.287 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.081 4.400 12.517 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.545 4.232 12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.552 5.878 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.001 6.251 13.981 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.071 4.855 14.485 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.375 5.276 13.202 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.125 6.730 13.868 1.00 0.00 H new ATOM 524 N ASN A 34 -2.984 6.910 10.415 1.00 0.00 N ATOM 525 CA ASN A 34 -3.622 8.190 10.108 1.00 0.00 C ATOM 526 C ASN A 34 -5.122 7.998 9.891 1.00 0.00 C ATOM 527 O ASN A 34 -5.936 8.678 10.524 1.00 0.00 O ATOM 528 CB ASN A 34 -2.942 8.835 8.883 1.00 0.00 C ATOM 529 CG ASN A 34 -3.911 9.412 7.869 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.793 10.196 8.204 1.00 0.00 O ATOM 531 ND2 ASN A 34 -3.733 9.037 6.613 1.00 0.00 N ATOM 0 H ASN A 34 -2.394 6.540 9.670 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.500 8.868 10.953 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.277 9.628 9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.320 8.087 8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.342 9.402 5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.987 8.383 6.377 1.00 0.00 H new ATOM 538 N GLU A 35 -5.487 7.040 9.043 1.00 0.00 N ATOM 539 CA GLU A 35 -6.894 6.745 8.805 1.00 0.00 C ATOM 540 C GLU A 35 -7.486 6.025 10.024 1.00 0.00 C ATOM 541 O GLU A 35 -8.704 5.972 10.193 1.00 0.00 O ATOM 542 CB GLU A 35 -7.067 5.900 7.536 1.00 0.00 C ATOM 543 CG GLU A 35 -8.181 6.394 6.616 1.00 0.00 C ATOM 544 CD GLU A 35 -7.792 7.610 5.794 1.00 0.00 C ATOM 545 OE1 GLU A 35 -6.756 7.553 5.097 1.00 0.00 O ATOM 546 OE2 GLU A 35 -8.535 8.619 5.840 1.00 0.00 O ATOM 0 H GLU A 35 -4.834 6.461 8.515 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.430 7.682 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.127 5.894 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.275 4.869 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.470 5.587 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.057 6.637 7.217 1.00 0.00 H new ATOM 553 N ALA A 36 -6.609 5.502 10.890 1.00 0.00 N ATOM 554 CA ALA A 36 -7.016 4.820 12.110 1.00 0.00 C ATOM 555 C ALA A 36 -7.217 5.831 13.234 1.00 0.00 C ATOM 556 O ALA A 36 -8.230 5.803 13.930 1.00 0.00 O ATOM 557 CB ALA A 36 -5.956 3.801 12.511 1.00 0.00 C ATOM 0 H ALA A 36 -5.598 5.543 10.758 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.958 4.303 11.929 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.266 3.294 13.425 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.835 3.069 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.008 4.311 12.683 1.00 0.00 H new ATOM 563 N ARG A 37 -6.236 6.724 13.397 1.00 0.00 N ATOM 564 CA ARG A 37 -6.291 7.760 14.424 1.00 0.00 C ATOM 565 C ARG A 37 -7.545 8.580 14.288 1.00 0.00 C ATOM 566 O ARG A 37 -8.281 8.798 15.252 1.00 0.00 O ATOM 567 CB ARG A 37 -5.129 8.724 14.279 1.00 0.00 C ATOM 568 CG ARG A 37 -4.086 8.607 15.372 1.00 0.00 C ATOM 569 CD ARG A 37 -4.698 8.824 16.746 1.00 0.00 C ATOM 570 NE ARG A 37 -3.805 8.370 17.817 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.196 8.083 19.053 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.461 8.214 19.405 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.312 7.668 19.940 1.00 0.00 N ATOM 0 H ARG A 37 -5.391 6.747 12.826 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.259 7.250 15.387 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.649 8.555 13.315 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.516 9.743 14.269 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.621 7.622 15.330 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.296 9.339 15.204 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.920 9.882 16.882 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.645 8.289 16.811 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.814 8.268 17.597 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.149 8.538 18.725 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.751 7.991 20.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.332 7.569 19.675 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.609 7.447 20.890 1.00 0.00 H new ATOM 587 N ARG A 38 -7.747 9.066 13.074 1.00 0.00 N ATOM 588 CA ARG A 38 -8.886 9.907 12.784 1.00 0.00 C ATOM 589 C ARG A 38 -10.198 9.106 12.749 1.00 0.00 C ATOM 590 O ARG A 38 -11.171 9.489 13.398 1.00 0.00 O ATOM 591 CB ARG A 38 -8.677 10.650 11.459 1.00 0.00 C ATOM 592 CG ARG A 38 -7.792 11.881 11.587 1.00 0.00 C ATOM 593 CD ARG A 38 -8.514 13.015 12.298 1.00 0.00 C ATOM 594 NE ARG A 38 -7.587 14.036 12.794 1.00 0.00 N ATOM 595 CZ ARG A 38 -7.959 15.214 13.278 1.00 0.00 C ATOM 596 NH1 ARG A 38 -9.236 15.547 13.324 1.00 0.00 N ATOM 597 NH2 ARG A 38 -7.045 16.054 13.711 1.00 0.00 N ATOM 0 H ARG A 38 -7.135 8.890 12.277 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.970 10.635 13.591 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.233 9.967 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.647 10.949 11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.886 11.624 12.136 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.481 12.211 10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.227 13.475 11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.088 12.612 13.132 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.589 13.827 12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.945 14.897 12.986 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.513 16.455 13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.058 15.798 13.673 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.323 16.962 14.085 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.446 -9.161 -10.090 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.370 -9.215 -8.629 1.00 0.00 C ATOM 1186 C LYS B 102 -3.935 -9.459 -8.192 1.00 0.00 C ATOM 1187 O LYS B 102 -3.435 -10.583 -8.264 1.00 0.00 O ATOM 1188 CB LYS B 102 -6.273 -10.301 -8.035 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.208 -11.637 -8.764 1.00 0.00 C ATOM 1190 CD LYS B 102 -6.242 -12.804 -7.786 1.00 0.00 C ATOM 1191 CE LYS B 102 -6.549 -14.120 -8.486 1.00 0.00 C ATOM 1192 NZ LYS B 102 -8.004 -14.453 -8.426 1.00 0.00 N ATOM 0 HA LYS B 102 -5.720 -8.253 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.998 -10.456 -6.992 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.303 -9.945 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.045 -11.716 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -5.296 -11.685 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -5.281 -12.879 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.995 -12.615 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -6.232 -14.061 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -5.973 -14.921 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.174 -15.356 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.301 -14.535 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.552 -13.701 -8.890 1.00 0.00 H new ATOM 1206 N GLN B 103 -3.279 -8.406 -7.739 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.902 -8.506 -7.286 1.00 0.00 C ATOM 1208 C GLN B 103 -1.856 -8.531 -5.778 1.00 0.00 C ATOM 1209 O GLN B 103 -2.242 -7.570 -5.111 1.00 0.00 O ATOM 1210 CB GLN B 103 -1.056 -7.353 -7.835 1.00 0.00 C ATOM 1211 CG GLN B 103 0.316 -7.244 -7.197 1.00 0.00 C ATOM 1212 CD GLN B 103 1.280 -6.401 -8.005 1.00 0.00 C ATOM 1213 OE1 GLN B 103 0.894 -5.441 -8.670 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.550 -6.744 -7.928 1.00 0.00 N ATOM 0 H GLN B 103 -3.678 -7.469 -7.675 1.00 0.00 H new ATOM 0 HA GLN B 103 -1.480 -9.436 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.937 -7.482 -8.911 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.593 -6.416 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.214 -6.814 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.733 -8.243 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.828 -7.548 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.255 -6.206 -8.432 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.418 -9.653 -5.244 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.370 -9.824 -3.818 1.00 0.00 C ATOM 1225 C ARG B 104 -0.158 -9.140 -3.194 1.00 0.00 C ATOM 1226 O ARG B 104 0.941 -9.691 -3.182 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.335 -11.303 -3.489 1.00 0.00 C ATOM 1228 CG ARG B 104 -2.019 -11.637 -2.190 1.00 0.00 C ATOM 1229 CD ARG B 104 -2.010 -13.130 -1.949 1.00 0.00 C ATOM 1230 NE ARG B 104 -3.054 -13.814 -2.710 1.00 0.00 N ATOM 1231 CZ ARG B 104 -4.345 -13.551 -2.607 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.774 -12.680 -1.718 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -5.208 -14.192 -3.368 1.00 0.00 N ATOM 0 H ARG B 104 -1.092 -10.456 -5.781 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.263 -9.359 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.811 -11.860 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.297 -11.634 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.517 -11.128 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -3.046 -11.273 -2.210 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -1.036 -13.536 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -2.149 -13.326 -0.886 1.00 0.00 H new ATOM 0 HE ARG B 104 -2.767 -14.542 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -4.109 -12.206 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -5.771 -12.479 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.879 -14.890 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -6.205 -13.990 -3.290 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.377 -7.962 -2.631 1.00 0.00 N ATOM 1248 CA ILE B 105 0.686 -7.240 -1.956 1.00 0.00 C ATOM 1249 C ILE B 105 0.403 -7.309 -0.468 1.00 0.00 C ATOM 1250 O ILE B 105 -0.594 -6.772 0.016 1.00 0.00 O ATOM 1251 CB ILE B 105 0.825 -5.781 -2.465 1.00 0.00 C ATOM 1252 CG1 ILE B 105 0.499 -4.738 -1.380 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.025 -5.578 -3.709 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.934 -4.241 -1.397 1.00 0.00 C ATOM 0 H ILE B 105 -1.280 -7.488 -2.629 1.00 0.00 H new ATOM 0 HA ILE B 105 1.649 -7.701 -2.175 1.00 0.00 H new ATOM 0 HB ILE B 105 1.872 -5.623 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE B 105 0.708 -5.172 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE B 105 1.168 -3.886 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE B 105 0.080 -4.551 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE B 105 0.305 -6.262 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -1.070 -5.775 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -1.075 -3.510 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -1.146 -3.775 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -1.612 -5.080 -1.244 1.00 0.00 H new ATOM 1266 N THR B 106 1.234 -8.057 0.239 1.00 0.00 N ATOM 1267 CA THR B 106 1.025 -8.280 1.660 1.00 0.00 C ATOM 1268 C THR B 106 2.024 -7.518 2.535 1.00 0.00 C ATOM 1269 O THR B 106 3.227 -7.757 2.468 1.00 0.00 O ATOM 1270 CB THR B 106 1.051 -9.806 1.954 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.005 -10.142 2.949 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.363 -10.671 0.741 1.00 0.00 C ATOM 0 H THR B 106 2.058 -8.519 -0.147 1.00 0.00 H new ATOM 0 HA THR B 106 0.045 -7.881 1.922 1.00 0.00 H new ATOM 0 HB THR B 106 0.035 -10.015 2.290 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.410 -11.008 2.734 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.362 -11.721 1.033 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.607 -10.507 -0.027 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.344 -10.405 0.347 1.00 0.00 H new ATOM 1280 N VAL B 107 1.506 -6.666 3.434 1.00 0.00 N ATOM 1281 CA VAL B 107 2.348 -5.961 4.400 1.00 0.00 C ATOM 1282 C VAL B 107 2.213 -6.700 5.725 1.00 0.00 C ATOM 1283 O VAL B 107 1.253 -6.487 6.465 1.00 0.00 O ATOM 1284 CB VAL B 107 2.017 -4.424 4.562 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.763 -4.028 3.799 1.00 0.00 C ATOM 1286 CG2 VAL B 107 1.900 -3.989 6.038 1.00 0.00 C ATOM 0 H VAL B 107 0.511 -6.453 3.508 1.00 0.00 H new ATOM 0 HA VAL B 107 3.375 -5.967 4.034 1.00 0.00 H new ATOM 0 HB VAL B 107 2.866 -3.895 4.129 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.573 -2.964 3.938 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.902 -4.236 2.738 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -0.086 -4.600 4.173 1.00 0.00 H new ATOM 0 HG21 VAL B 107 1.672 -2.924 6.087 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.103 -4.553 6.522 1.00 0.00 H new ATOM 0 HG23 VAL B 107 2.843 -4.182 6.550 1.00 0.00 H new ATOM 1296 N THR B 108 3.135 -7.615 6.009 1.00 0.00 N ATOM 1297 CA THR B 108 3.061 -8.390 7.235 1.00 0.00 C ATOM 1298 C THR B 108 3.311 -7.490 8.446 1.00 0.00 C ATOM 1299 O THR B 108 4.455 -7.230 8.816 1.00 0.00 O ATOM 1300 CB THR B 108 4.048 -9.552 7.187 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.384 -9.106 7.078 1.00 0.00 O ATOM 1302 CG2 THR B 108 3.789 -10.504 6.058 1.00 0.00 C ATOM 0 H THR B 108 3.932 -7.834 5.412 1.00 0.00 H new ATOM 0 HA THR B 108 2.059 -8.809 7.332 1.00 0.00 H new ATOM 0 HB THR B 108 3.899 -10.075 8.131 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.506 -8.302 7.625 1.00 0.00 H new ATOM 0 HG21 THR B 108 4.527 -11.306 6.082 1.00 0.00 H new ATOM 0 HG22 THR B 108 2.790 -10.927 6.161 1.00 0.00 H new ATOM 0 HG23 THR B 108 3.862 -9.972 5.109 1.00 0.00 H new ATOM 1310 N VAL B 109 2.220 -6.990 9.026 1.00 0.00 N ATOM 1311 CA VAL B 109 2.292 -6.075 10.166 1.00 0.00 C ATOM 1312 C VAL B 109 2.512 -6.801 11.504 1.00 0.00 C ATOM 1313 O VAL B 109 3.433 -7.606 11.615 1.00 0.00 O ATOM 1314 CB VAL B 109 1.045 -5.159 10.230 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.304 -3.941 11.108 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.650 -4.712 8.835 1.00 0.00 C ATOM 0 H VAL B 109 1.270 -7.205 8.723 1.00 0.00 H new ATOM 0 HA VAL B 109 3.170 -5.451 10.003 1.00 0.00 H new ATOM 0 HB VAL B 109 0.229 -5.733 10.669 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.412 -3.315 11.135 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.549 -4.267 12.119 1.00 0.00 H new ATOM 0 HG13 VAL B 109 2.136 -3.368 10.699 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.228 -4.069 8.894 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.474 -4.161 8.383 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.420 -5.585 8.225 1.00 0.00 H new ATOM 1326 N ASP B 110 1.721 -6.450 12.541 1.00 0.00 N ATOM 1327 CA ASP B 110 1.886 -6.993 13.897 1.00 0.00 C ATOM 1328 C ASP B 110 2.827 -6.065 14.680 1.00 0.00 C ATOM 1329 O ASP B 110 2.926 -6.141 15.906 1.00 0.00 O ATOM 1330 CB ASP B 110 2.406 -8.440 13.905 1.00 0.00 C ATOM 1331 CG ASP B 110 2.163 -9.142 15.232 1.00 0.00 C ATOM 1332 OD1 ASP B 110 1.020 -9.095 15.731 1.00 0.00 O ATOM 1333 OD2 ASP B 110 3.118 -9.751 15.766 1.00 0.00 O ATOM 0 H ASP B 110 0.953 -5.784 12.457 1.00 0.00 H new ATOM 0 HA ASP B 110 0.906 -7.031 14.373 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.920 -9.001 13.107 1.00 0.00 H new ATOM 0 HB3 ASP B 110 3.474 -8.439 13.689 1.00 0.00 H new ATOM 1338 N SER B 111 3.490 -5.157 13.944 1.00 0.00 N ATOM 1339 CA SER B 111 4.397 -4.177 14.523 1.00 0.00 C ATOM 1340 C SER B 111 4.058 -2.768 14.017 1.00 0.00 C ATOM 1341 O SER B 111 3.887 -1.859 14.822 1.00 0.00 O ATOM 1342 CB SER B 111 5.854 -4.521 14.198 1.00 0.00 C ATOM 1343 OG SER B 111 6.724 -4.060 15.222 1.00 0.00 O ATOM 0 H SER B 111 3.405 -5.090 12.930 1.00 0.00 H new ATOM 0 HA SER B 111 4.274 -4.200 15.606 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.960 -5.600 14.083 1.00 0.00 H new ATOM 0 HB3 SER B 111 6.135 -4.070 13.246 1.00 0.00 H new ATOM 0 HG SER B 111 7.649 -4.292 14.995 1.00 0.00 H new ATOM 1349 N ASP B 112 4.008 -2.586 12.678 1.00 0.00 N ATOM 1350 CA ASP B 112 3.735 -1.276 12.077 1.00 0.00 C ATOM 1351 C ASP B 112 2.501 -0.562 12.694 1.00 0.00 C ATOM 1352 O ASP B 112 2.619 0.063 13.752 1.00 0.00 O ATOM 1353 CB ASP B 112 3.614 -1.444 10.562 1.00 0.00 C ATOM 1354 CG ASP B 112 4.906 -1.093 9.839 1.00 0.00 C ATOM 1355 OD1 ASP B 112 5.218 0.113 9.720 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.610 -2.029 9.402 1.00 0.00 O ATOM 0 H ASP B 112 4.154 -3.334 12.000 1.00 0.00 H new ATOM 0 HA ASP B 112 4.572 -0.615 12.301 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.340 -2.474 10.333 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.809 -0.810 10.191 1.00 0.00 H new ATOM 1361 N SER B 113 1.324 -0.615 12.042 1.00 0.00 N ATOM 1362 CA SER B 113 0.110 0.056 12.567 1.00 0.00 C ATOM 1363 C SER B 113 -1.096 -0.183 11.634 1.00 0.00 C ATOM 1364 O SER B 113 -1.923 0.700 11.415 1.00 0.00 O ATOM 1365 CB SER B 113 0.352 1.567 12.715 1.00 0.00 C ATOM 1366 OG SER B 113 0.993 1.871 13.946 1.00 0.00 O ATOM 0 H SER B 113 1.184 -1.109 11.160 1.00 0.00 H new ATOM 0 HA SER B 113 -0.111 -0.370 13.546 1.00 0.00 H new ATOM 0 HB2 SER B 113 0.965 1.922 11.886 1.00 0.00 H new ATOM 0 HB3 SER B 113 -0.599 2.097 12.658 1.00 0.00 H new ATOM 0 HG SER B 113 1.593 1.136 14.193 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.156 -1.394 11.086 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.210 -1.825 10.152 1.00 0.00 C ATOM 1374 C TYR B 114 -3.492 -2.306 10.840 1.00 0.00 C ATOM 1375 O TYR B 114 -4.596 -2.097 10.330 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.640 -2.950 9.310 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.485 -4.195 9.284 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.508 -4.312 8.375 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.236 -5.250 10.141 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.274 -5.458 8.305 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -2.982 -6.405 10.082 1.00 0.00 C ATOM 1382 CZ TYR B 114 -3.999 -6.510 9.161 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.734 -7.672 9.094 1.00 0.00 O ATOM 0 H TYR B 114 -0.466 -2.120 11.277 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.499 -0.961 9.554 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.509 -2.593 8.289 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.650 -3.205 9.688 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.717 -3.493 7.703 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.443 -5.167 10.869 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -5.080 -5.533 7.590 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -2.771 -7.224 10.754 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.140 -8.424 8.889 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.328 -3.027 11.950 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.461 -3.637 12.650 1.00 0.00 C ATOM 1395 C GLN B 115 -5.629 -2.673 12.885 1.00 0.00 C ATOM 1396 O GLN B 115 -6.774 -3.086 12.767 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.026 -4.245 13.997 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.555 -4.632 14.084 1.00 0.00 C ATOM 1399 CD GLN B 115 -1.683 -3.501 14.591 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -1.151 -2.717 13.809 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.537 -3.405 15.905 1.00 0.00 N ATOM 0 H GLN B 115 -2.422 -3.203 12.384 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.816 -4.424 11.985 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.245 -3.529 14.789 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.631 -5.131 14.191 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.448 -5.492 14.745 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.206 -4.941 13.099 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.996 -4.077 16.520 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -0.965 -2.659 16.301 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.364 -1.414 13.228 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.453 -0.457 13.486 1.00 0.00 C ATOM 1412 C LEU B 116 -7.362 -0.228 12.269 1.00 0.00 C ATOM 1413 O LEU B 116 -8.581 -0.393 12.363 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.893 0.893 13.937 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.283 1.312 15.356 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.353 2.398 15.867 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.726 1.788 15.391 1.00 0.00 C ATOM 0 H LEU B 116 -4.424 -1.032 13.334 1.00 0.00 H new ATOM 0 HA LEU B 116 -7.056 -0.905 14.276 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.806 0.859 13.870 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -6.232 1.661 13.241 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.189 0.444 16.009 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.647 2.683 16.877 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.329 2.025 15.878 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.415 3.268 15.213 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.987 2.082 16.407 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.844 2.642 14.724 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.383 0.981 15.066 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.771 0.189 11.144 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.589 0.476 9.952 1.00 0.00 C ATOM 1431 C LEU B 117 -8.407 -0.744 9.533 1.00 0.00 C ATOM 1432 O LEU B 117 -9.567 -0.626 9.132 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.761 0.989 8.776 1.00 0.00 C ATOM 1434 CG LEU B 117 -7.051 2.447 8.378 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -6.105 2.959 7.313 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -8.458 2.574 7.866 1.00 0.00 C ATOM 0 H LEU B 117 -5.768 0.333 11.030 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.272 1.276 10.239 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.704 0.897 9.025 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.942 0.348 7.914 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.910 3.047 9.277 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.355 3.992 7.070 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -5.081 2.911 7.683 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.197 2.344 6.418 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.652 3.610 7.588 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.587 1.933 6.994 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -9.157 2.271 8.645 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.810 -1.914 9.651 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.491 -3.157 9.307 1.00 0.00 C ATOM 1450 C LYS B 118 -9.431 -3.596 10.424 1.00 0.00 C ATOM 1451 O LYS B 118 -10.470 -4.210 10.178 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.469 -4.245 9.020 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.759 -4.704 10.272 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.799 -6.211 10.401 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.112 -6.691 11.672 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.723 -7.948 12.199 1.00 0.00 N ATOM 0 H LYS B 118 -6.853 -2.035 9.983 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.090 -2.983 8.413 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -7.967 -5.095 8.554 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -6.736 -3.873 8.304 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.723 -4.365 10.251 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.226 -4.249 11.146 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.836 -6.548 10.399 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.316 -6.662 9.535 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.054 -6.859 11.471 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.172 -5.912 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -6.225 -8.240 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.726 -7.782 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.643 -8.699 11.484 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.047 -3.260 11.645 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.827 -3.589 12.830 1.00 0.00 C ATOM 1472 C ALA B 119 -11.204 -2.966 12.744 1.00 0.00 C ATOM 1473 O ALA B 119 -12.167 -3.499 13.295 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.114 -3.122 14.093 1.00 0.00 C ATOM 0 H ALA B 119 -8.186 -2.751 11.844 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.935 -4.673 12.878 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.715 -3.378 14.966 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.143 -3.611 14.165 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.974 -2.042 14.053 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.301 -1.835 12.043 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.572 -1.174 11.898 1.00 0.00 C ATOM 1482 C TYR B 120 -13.335 -1.711 10.678 1.00 0.00 C ATOM 1483 O TYR B 120 -14.521 -1.988 10.829 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.423 0.366 11.953 1.00 0.00 C ATOM 1485 CG TYR B 120 -12.041 1.089 10.683 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.682 0.855 9.477 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -11.034 2.043 10.714 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.325 1.541 8.338 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.674 2.733 9.589 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.321 2.477 8.397 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.959 3.158 7.261 1.00 0.00 O ATOM 0 H TYR B 120 -10.519 -1.373 11.578 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.200 -1.416 12.755 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -13.369 0.780 12.301 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.674 0.602 12.709 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.474 0.123 9.430 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.524 2.245 11.645 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.831 1.345 7.404 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.889 3.473 9.633 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.940 4.120 7.448 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.652 -1.930 9.508 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.315 -2.517 8.307 1.00 0.00 C ATOM 1503 C ASP B 121 -12.720 -2.097 6.951 1.00 0.00 C ATOM 1504 O ASP B 121 -13.332 -2.355 5.912 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.802 -2.182 8.283 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.092 -0.698 8.118 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -14.809 -0.145 7.032 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -15.614 -0.087 9.073 1.00 0.00 O ATOM 0 H ASP B 121 -11.664 -1.712 9.378 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.140 -3.587 8.418 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.275 -2.729 7.467 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.259 -2.532 9.209 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.556 -1.470 6.931 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.963 -1.043 5.664 1.00 0.00 C ATOM 1515 C VAL B 122 -10.059 -2.110 5.040 1.00 0.00 C ATOM 1516 O VAL B 122 -9.926 -2.180 3.816 1.00 0.00 O ATOM 1517 CB VAL B 122 -10.184 0.272 5.866 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -8.768 0.024 6.364 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -10.171 1.090 4.585 1.00 0.00 C ATOM 0 H VAL B 122 -11.006 -1.246 7.760 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.783 -0.882 4.964 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.702 0.842 6.637 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -8.255 0.977 6.493 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -8.805 -0.500 7.319 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -8.228 -0.583 5.638 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -9.616 2.014 4.749 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -9.693 0.516 3.791 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -11.194 1.328 4.295 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.418 -2.917 5.891 1.00 0.00 N ATOM 1530 CA ASN B 123 -8.488 -3.966 5.453 1.00 0.00 C ATOM 1531 C ASN B 123 -7.687 -3.532 4.236 1.00 0.00 C ATOM 1532 O ASN B 123 -7.472 -4.308 3.310 1.00 0.00 O ATOM 1533 CB ASN B 123 -9.197 -5.270 5.145 1.00 0.00 C ATOM 1534 CG ASN B 123 -10.365 -5.546 6.066 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -10.182 -5.960 7.209 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -11.572 -5.310 5.575 1.00 0.00 N ATOM 0 H ASN B 123 -9.528 -2.863 6.904 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.808 -4.131 6.289 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -9.552 -5.248 4.115 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -8.483 -6.090 5.219 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -12.398 -5.472 6.152 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -11.676 -4.967 4.620 1.00 0.00 H new ATOM 1543 N ILE B 124 -7.265 -2.281 4.269 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.479 -1.622 3.254 1.00 0.00 C ATOM 1545 C ILE B 124 -6.860 -1.830 1.785 1.00 0.00 C ATOM 1546 O ILE B 124 -6.261 -1.174 0.936 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.999 -1.888 3.428 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.778 -2.989 4.425 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.261 -0.631 3.829 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.919 -4.302 3.756 1.00 0.00 C ATOM 0 H ILE B 124 -7.477 -1.665 5.054 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.729 -0.578 3.445 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.595 -2.211 2.468 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.785 -2.899 4.866 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -5.498 -2.906 5.239 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -3.200 -0.854 3.946 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.389 0.128 3.057 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.661 -0.260 4.773 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.758 -5.099 4.482 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.921 -4.391 3.336 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.182 -4.384 2.957 1.00 0.00 H new ATOM 1562 N SER B 125 -7.783 -2.733 1.455 1.00 0.00 N ATOM 1563 CA SER B 125 -8.119 -2.971 0.048 1.00 0.00 C ATOM 1564 C SER B 125 -8.129 -1.643 -0.722 1.00 0.00 C ATOM 1565 O SER B 125 -7.290 -1.412 -1.609 1.00 0.00 O ATOM 1566 CB SER B 125 -9.476 -3.674 -0.076 1.00 0.00 C ATOM 1567 OG SER B 125 -9.468 -4.602 -1.147 1.00 0.00 O ATOM 0 H SER B 125 -8.302 -3.301 2.124 1.00 0.00 H new ATOM 0 HA SER B 125 -7.360 -3.623 -0.384 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.710 -4.189 0.856 1.00 0.00 H new ATOM 0 HB3 SER B 125 -10.260 -2.934 -0.236 1.00 0.00 H new ATOM 0 HG SER B 125 -10.343 -5.040 -1.207 1.00 0.00 H new ATOM 1573 N GLY B 126 -9.041 -0.747 -0.339 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.108 0.566 -0.963 1.00 0.00 C ATOM 1575 C GLY B 126 -8.118 1.541 -0.347 1.00 0.00 C ATOM 1576 O GLY B 126 -7.726 2.517 -0.981 1.00 0.00 O ATOM 0 H GLY B 126 -9.734 -0.908 0.392 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.907 0.471 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.118 0.964 -0.863 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.713 1.268 0.897 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.769 2.107 1.612 1.00 0.00 C ATOM 1582 C LEU B 127 -5.395 2.082 0.948 1.00 0.00 C ATOM 1583 O LEU B 127 -4.914 3.125 0.501 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.654 1.632 3.055 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.331 2.684 4.105 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -4.934 2.441 4.644 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.473 4.086 3.540 1.00 0.00 C ATOM 0 H LEU B 127 -8.034 0.459 1.429 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.137 3.133 1.590 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.595 1.156 3.331 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.883 0.863 3.098 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.044 2.601 4.925 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.699 3.193 5.397 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -4.885 1.449 5.094 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.213 2.506 3.829 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.236 4.816 4.314 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.789 4.211 2.701 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.497 4.239 3.199 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.764 0.895 0.870 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.459 0.790 0.234 1.00 0.00 C ATOM 1601 C VAL B 128 -3.510 1.464 -1.135 1.00 0.00 C ATOM 1602 O VAL B 128 -2.858 2.470 -1.364 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.021 -0.685 0.069 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -1.905 -0.813 -0.960 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.578 -1.270 1.401 1.00 0.00 C ATOM 0 H VAL B 128 -5.136 0.018 1.235 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.729 1.286 0.873 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.883 -1.249 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.617 -1.860 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.255 -0.443 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.044 -0.228 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.275 -2.307 1.260 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.737 -0.696 1.789 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.405 -1.227 2.110 1.00 0.00 H new ATOM 1615 N SER B 129 -4.326 0.916 -2.016 1.00 0.00 N ATOM 1616 CA SER B 129 -4.508 1.444 -3.362 1.00 0.00 C ATOM 1617 C SER B 129 -4.792 2.951 -3.398 1.00 0.00 C ATOM 1618 O SER B 129 -4.214 3.663 -4.223 1.00 0.00 O ATOM 1619 CB SER B 129 -5.657 0.704 -4.016 1.00 0.00 C ATOM 1620 OG SER B 129 -6.789 0.646 -3.159 1.00 0.00 O ATOM 0 H SER B 129 -4.886 0.087 -1.820 1.00 0.00 H new ATOM 0 HA SER B 129 -3.571 1.293 -3.898 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.929 1.200 -4.948 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.341 -0.307 -4.274 1.00 0.00 H new ATOM 0 HG SER B 129 -6.868 -0.255 -2.782 1.00 0.00 H new ATOM 1626 N THR B 130 -5.664 3.445 -2.512 1.00 0.00 N ATOM 1627 CA THR B 130 -5.978 4.867 -2.484 1.00 0.00 C ATOM 1628 C THR B 130 -4.769 5.622 -2.003 1.00 0.00 C ATOM 1629 O THR B 130 -4.292 6.544 -2.666 1.00 0.00 O ATOM 1630 CB THR B 130 -7.169 5.163 -1.570 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.364 4.645 -2.120 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.382 6.641 -1.324 1.00 0.00 C ATOM 0 H THR B 130 -6.156 2.885 -1.816 1.00 0.00 H new ATOM 0 HA THR B 130 -6.248 5.182 -3.492 1.00 0.00 H new ATOM 0 HB THR B 130 -6.930 4.683 -0.621 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.427 3.687 -1.922 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.242 6.781 -0.669 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.494 7.063 -0.853 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.564 7.145 -2.273 1.00 0.00 H new ATOM 1640 N THR B 131 -4.261 5.212 -0.845 1.00 0.00 N ATOM 1641 CA THR B 131 -3.091 5.853 -0.291 1.00 0.00 C ATOM 1642 C THR B 131 -1.955 5.803 -1.298 1.00 0.00 C ATOM 1643 O THR B 131 -1.221 6.779 -1.470 1.00 0.00 O ATOM 1644 CB THR B 131 -2.669 5.227 1.045 1.00 0.00 C ATOM 1645 OG1 THR B 131 -1.889 6.144 1.803 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.860 3.957 0.908 1.00 0.00 C ATOM 0 H THR B 131 -4.640 4.449 -0.284 1.00 0.00 H new ATOM 0 HA THR B 131 -3.341 6.893 -0.084 1.00 0.00 H new ATOM 0 HB THR B 131 -3.607 4.980 1.542 1.00 0.00 H new ATOM 0 HG1 THR B 131 -1.102 6.411 1.284 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.603 3.581 1.898 1.00 0.00 H new ATOM 0 HG22 THR B 131 -2.446 3.208 0.376 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.947 4.166 0.351 1.00 0.00 H new ATOM 1654 N MET B 132 -1.825 4.664 -1.984 1.00 0.00 N ATOM 1655 CA MET B 132 -0.801 4.493 -2.986 1.00 0.00 C ATOM 1656 C MET B 132 -0.975 5.476 -4.122 1.00 0.00 C ATOM 1657 O MET B 132 -0.078 6.249 -4.389 1.00 0.00 O ATOM 1658 CB MET B 132 -0.821 3.068 -3.516 1.00 0.00 C ATOM 1659 CG MET B 132 -0.490 2.050 -2.455 1.00 0.00 C ATOM 1660 SD MET B 132 1.263 1.923 -2.154 1.00 0.00 S ATOM 1661 CE MET B 132 1.385 0.169 -1.983 1.00 0.00 C ATOM 0 H MET B 132 -2.426 3.850 -1.854 1.00 0.00 H new ATOM 0 HA MET B 132 0.165 4.687 -2.519 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.807 2.851 -3.927 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.107 2.979 -4.335 1.00 0.00 H new ATOM 0 HG2 MET B 132 -0.996 2.319 -1.528 1.00 0.00 H new ATOM 0 HG3 MET B 132 -0.875 1.076 -2.758 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.371 -0.091 -1.598 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.620 -0.183 -1.291 1.00 0.00 H new ATOM 0 HE3 MET B 132 1.239 -0.302 -2.955 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.129 5.462 -4.780 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.378 6.386 -5.886 1.00 0.00 C ATOM 1673 C GLN B 133 -2.037 7.821 -5.489 1.00 0.00 C ATOM 1674 O GLN B 133 -1.451 8.559 -6.278 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.832 6.269 -6.356 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.452 7.564 -6.885 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.646 7.560 -8.392 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.114 6.583 -8.972 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -4.291 8.659 -9.036 1.00 0.00 N ATOM 0 H GLN B 133 -2.901 4.829 -4.572 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.727 6.115 -6.717 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.884 5.513 -7.140 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.438 5.908 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.416 7.722 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.815 8.404 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -3.906 9.450 -8.520 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -4.402 8.715 -10.048 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.389 8.210 -4.266 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.097 9.562 -3.791 1.00 0.00 C ATOM 1690 C ASN B 134 -0.597 9.757 -3.577 1.00 0.00 C ATOM 1691 O ASN B 134 0.015 10.635 -4.191 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.860 9.848 -2.486 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.365 9.739 -2.629 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.955 10.237 -3.586 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -4.998 9.091 -1.660 1.00 0.00 N ATOM 0 H ASN B 134 -2.872 7.616 -3.591 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.427 10.266 -4.555 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -2.525 9.151 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.608 10.850 -2.139 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.013 8.991 -1.691 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.470 8.693 -0.883 1.00 0.00 H new ATOM 1702 N GLU B 135 0.004 8.916 -2.740 1.00 0.00 N ATOM 1703 CA GLU B 135 1.442 8.998 -2.497 1.00 0.00 C ATOM 1704 C GLU B 135 2.212 8.625 -3.767 1.00 0.00 C ATOM 1705 O GLU B 135 3.406 8.888 -3.878 1.00 0.00 O ATOM 1706 CB GLU B 135 1.845 8.082 -1.336 1.00 0.00 C ATOM 1707 CG GLU B 135 2.239 8.835 -0.072 1.00 0.00 C ATOM 1708 CD GLU B 135 1.903 8.079 1.199 1.00 0.00 C ATOM 1709 OE1 GLU B 135 0.704 7.808 1.427 1.00 0.00 O ATOM 1710 OE2 GLU B 135 2.842 7.762 1.970 1.00 0.00 O ATOM 0 H GLU B 135 -0.475 8.178 -2.224 1.00 0.00 H new ATOM 0 HA GLU B 135 1.692 10.023 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.015 7.414 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.680 7.456 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.310 9.037 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU B 135 1.733 9.800 -0.058 1.00 0.00 H new ATOM 1717 N ALA B 136 1.507 8.016 -4.727 1.00 0.00 N ATOM 1718 CA ALA B 136 2.081 7.608 -5.999 1.00 0.00 C ATOM 1719 C ALA B 136 2.011 8.728 -7.035 1.00 0.00 C ATOM 1720 O ALA B 136 3.016 9.072 -7.658 1.00 0.00 O ATOM 1721 CB ALA B 136 1.349 6.384 -6.534 1.00 0.00 C ATOM 0 H ALA B 136 0.516 7.794 -4.635 1.00 0.00 H new ATOM 0 HA ALA B 136 3.130 7.368 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.786 6.086 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.441 5.565 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.295 6.624 -6.677 1.00 0.00 H new ATOM 1727 N ARG B 137 0.802 9.279 -7.235 1.00 0.00 N ATOM 1728 CA ARG B 137 0.590 10.342 -8.219 1.00 0.00 C ATOM 1729 C ARG B 137 1.511 11.507 -7.990 1.00 0.00 C ATOM 1730 O ARG B 137 2.250 11.927 -8.884 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.815 10.891 -8.142 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.617 10.728 -9.421 1.00 0.00 C ATOM 1733 CD ARG B 137 -2.680 11.807 -9.544 1.00 0.00 C ATOM 1734 NE ARG B 137 -2.459 12.664 -10.714 1.00 0.00 N ATOM 1735 CZ ARG B 137 -2.869 13.925 -10.811 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -3.519 14.507 -9.819 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -2.631 14.612 -11.910 1.00 0.00 N ATOM 0 H ARG B 137 -0.039 9.003 -6.727 1.00 0.00 H new ATOM 0 HA ARG B 137 0.781 9.884 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.344 10.393 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.766 11.950 -7.889 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -0.949 10.773 -10.281 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.089 9.746 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -3.663 11.341 -9.616 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -2.682 12.418 -8.642 1.00 0.00 H new ATOM 0 HE ARG B 137 -1.957 12.265 -11.507 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -3.713 13.988 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -3.827 15.475 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -2.132 14.176 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -2.945 15.579 -11.985 1.00 0.00 H new ATOM 1751 N ARG B 138 1.443 12.047 -6.785 1.00 0.00 N ATOM 1752 CA ARG B 138 2.263 13.182 -6.459 1.00 0.00 C ATOM 1753 C ARG B 138 3.667 12.745 -6.044 1.00 0.00 C ATOM 1754 O ARG B 138 4.621 13.517 -6.168 1.00 0.00 O ATOM 1755 CB ARG B 138 1.618 14.034 -5.368 1.00 0.00 C ATOM 1756 CG ARG B 138 1.185 15.406 -5.862 1.00 0.00 C ATOM 1757 CD ARG B 138 2.176 16.494 -5.477 1.00 0.00 C ATOM 1758 NE ARG B 138 1.556 17.821 -5.537 1.00 0.00 N ATOM 1759 CZ ARG B 138 1.904 18.855 -4.783 1.00 0.00 C ATOM 1760 NH1 ARG B 138 2.920 18.772 -3.944 1.00 0.00 N ATOM 1761 NH2 ARG B 138 1.235 19.984 -4.883 1.00 0.00 N ATOM 0 H ARG B 138 0.837 11.719 -6.033 1.00 0.00 H new ATOM 0 HA ARG B 138 2.350 13.794 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.751 13.508 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.323 14.156 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG B 138 1.077 15.382 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG B 138 0.205 15.647 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG B 138 2.550 16.309 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG B 138 3.035 16.461 -6.147 1.00 0.00 H new ATOM 0 HE ARG B 138 0.801 17.959 -6.209 1.00 0.00 H new ATOM 0 HH11 ARG B 138 3.450 17.904 -3.869 1.00 0.00 H new ATOM 0 HH12 ARG B 138 3.175 19.576 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG B 138 0.456 20.059 -5.537 1.00 0.00 H new ATOM 0 HH22 ARG B 138 1.496 20.784 -4.307 1.00 0.00 H new