USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 62 LYS NZ :NH3+ -151:sc=-0.000336 (180deg=-0.371) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 169:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 28:sc= 0.0304 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.19) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.0825 (180deg=-0.47) USER MOD Single : A 15 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Single : A 17 SER OG : rot 27:sc= 0.00439 USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= -0.212 (180deg=-0.798) USER MOD Single : A 24 GLN : amide:sc= 0.0252 X(o=0.025,f=-0.23) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.672 X(o=-0.67,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.79! C(o=-3.8!,f=-2.9!) USER MOD Single : A 30 THR OG1 : rot -49:sc= 0.629 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0655 K(o=-0.065,f=-1.7!) USER MOD Single : A 54 THR OG1 : rot -70:sc= 0.451 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.51) USER MOD Single : A 64 ASN : amide:sc= -7.08! C(o=-7.1!,f=-10!) USER MOD Single : A 65 THR OG1 : rot 148:sc= -1.54 USER MOD Single : A 67 GLN : amide:sc= 0.316 X(o=0.32,f=0) USER MOD Single : A 72 TYR OH : rot -133:sc= -2.66! USER MOD Single : A 76 ASN : amide:sc= -0.0977 K(o=-0.098,f=-1.9!) USER MOD Single : A 77 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 6.346 -3.510 -5.477 1.00 0.00 N ATOM 43 CA SER A 3 5.594 -2.311 -5.126 1.00 0.00 C ATOM 44 C SER A 3 4.967 -1.681 -6.366 1.00 0.00 C ATOM 45 O SER A 3 3.827 -1.216 -6.332 1.00 0.00 O ATOM 46 CB SER A 3 6.504 -1.298 -4.429 1.00 0.00 C ATOM 47 OG SER A 3 7.004 -1.816 -3.209 1.00 0.00 O ATOM 0 HA SER A 3 4.795 -2.600 -4.443 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.335 -1.039 -5.085 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.950 -0.379 -4.238 1.00 0.00 H new ATOM 0 HG SER A 3 7.048 -2.794 -3.262 1.00 0.00 H new ATOM 53 N THR A 4 5.720 -1.668 -7.461 1.00 0.00 N ATOM 54 CA THR A 4 5.241 -1.094 -8.712 1.00 0.00 C ATOM 55 C THR A 4 3.903 -1.702 -9.119 1.00 0.00 C ATOM 56 O THR A 4 3.104 -1.066 -9.806 1.00 0.00 O ATOM 57 CB THR A 4 6.255 -1.304 -9.852 1.00 0.00 C ATOM 58 OG1 THR A 4 5.844 -0.577 -11.014 1.00 0.00 O ATOM 59 CG2 THR A 4 6.388 -2.781 -10.192 1.00 0.00 C ATOM 0 H THR A 4 6.665 -2.049 -7.507 1.00 0.00 H new ATOM 0 HA THR A 4 5.115 -0.025 -8.541 1.00 0.00 H new ATOM 0 HB THR A 4 7.225 -0.935 -9.518 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.495 -0.715 -11.733 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.109 -2.905 -11.000 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.730 -3.327 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.420 -3.170 -10.507 1.00 0.00 H new ATOM 67 N PHE A 5 3.665 -2.937 -8.690 1.00 0.00 N ATOM 68 CA PHE A 5 2.423 -3.632 -9.011 1.00 0.00 C ATOM 69 C PHE A 5 1.215 -2.747 -8.719 1.00 0.00 C ATOM 70 O PHE A 5 0.203 -2.810 -9.417 1.00 0.00 O ATOM 71 CB PHE A 5 2.321 -4.933 -8.212 1.00 0.00 C ATOM 72 CG PHE A 5 1.814 -6.093 -9.019 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.854 -5.905 -10.001 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.296 -7.373 -8.796 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.385 -6.970 -10.746 1.00 0.00 C ATOM 76 CE2 PHE A 5 1.831 -8.442 -9.538 1.00 0.00 C ATOM 77 CZ PHE A 5 0.874 -8.241 -10.513 1.00 0.00 C ATOM 0 H PHE A 5 4.315 -3.477 -8.119 1.00 0.00 H new ATOM 0 HA PHE A 5 2.431 -3.867 -10.075 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.303 -5.182 -7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.659 -4.776 -7.360 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.468 -4.914 -10.186 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.043 -7.537 -8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.362 -6.809 -11.509 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.216 -9.434 -9.355 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.508 -9.076 -11.092 1.00 0.00 H new ATOM 87 N ASP A 6 1.329 -1.922 -7.684 1.00 0.00 N ATOM 88 CA ASP A 6 0.247 -1.024 -7.300 1.00 0.00 C ATOM 89 C ASP A 6 -0.152 -0.123 -8.465 1.00 0.00 C ATOM 90 O ASP A 6 -1.184 -0.336 -9.102 1.00 0.00 O ATOM 91 CB ASP A 6 0.664 -0.171 -6.100 1.00 0.00 C ATOM 92 CG ASP A 6 0.537 -0.918 -4.787 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.537 -1.508 -4.541 1.00 0.00 O ATOM 94 OD2 ASP A 6 1.510 -0.913 -4.005 1.00 0.00 O ATOM 0 H ASP A 6 2.160 -1.857 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.614 -1.632 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.696 0.155 -6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.048 0.727 -6.065 1.00 0.00 H new ATOM 99 N ASP A 7 0.672 0.883 -8.737 1.00 0.00 N ATOM 100 CA ASP A 7 0.405 1.816 -9.826 1.00 0.00 C ATOM 101 C ASP A 7 0.128 1.069 -11.126 1.00 0.00 C ATOM 102 O ASP A 7 -0.609 1.552 -11.986 1.00 0.00 O ATOM 103 CB ASP A 7 1.589 2.767 -10.011 1.00 0.00 C ATOM 104 CG ASP A 7 1.418 4.061 -9.241 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.222 3.998 -8.009 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.480 5.138 -9.870 1.00 0.00 O ATOM 0 H ASP A 7 1.530 1.073 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.481 2.396 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.503 2.272 -9.685 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.709 2.991 -11.071 1.00 0.00 H new ATOM 111 N ILE A 8 0.724 -0.111 -11.263 1.00 0.00 N ATOM 112 CA ILE A 8 0.541 -0.924 -12.459 1.00 0.00 C ATOM 113 C ILE A 8 -0.863 -1.518 -12.511 1.00 0.00 C ATOM 114 O ILE A 8 -1.437 -1.692 -13.586 1.00 0.00 O ATOM 115 CB ILE A 8 1.571 -2.067 -12.526 1.00 0.00 C ATOM 116 CG1 ILE A 8 2.942 -1.524 -12.935 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.109 -3.141 -13.499 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.027 -2.577 -12.961 1.00 0.00 C ATOM 0 H ILE A 8 1.337 -0.525 -10.561 1.00 0.00 H new ATOM 0 HA ILE A 8 0.686 -0.264 -13.314 1.00 0.00 H new ATOM 0 HB ILE A 8 1.659 -2.515 -11.536 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.864 -1.070 -13.923 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.231 -0.733 -12.243 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.848 -3.942 -13.535 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.152 -3.545 -13.168 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.995 -2.707 -14.493 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.971 -2.120 -13.259 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.133 -3.014 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.760 -3.357 -13.674 1.00 0.00 H new ATOM 130 N LYS A 9 -1.413 -1.825 -11.341 1.00 0.00 N ATOM 131 CA LYS A 9 -2.752 -2.396 -11.251 1.00 0.00 C ATOM 132 C LYS A 9 -3.813 -1.348 -11.573 1.00 0.00 C ATOM 133 O LYS A 9 -4.918 -1.681 -12.004 1.00 0.00 O ATOM 134 CB LYS A 9 -2.992 -2.966 -9.851 1.00 0.00 C ATOM 135 CG LYS A 9 -3.682 -1.994 -8.909 1.00 0.00 C ATOM 136 CD LYS A 9 -3.387 -2.324 -7.455 1.00 0.00 C ATOM 137 CE LYS A 9 -4.356 -3.362 -6.911 1.00 0.00 C ATOM 138 NZ LYS A 9 -3.779 -4.111 -5.760 1.00 0.00 N ATOM 0 H LYS A 9 -0.952 -1.688 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.827 -3.201 -11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.596 -3.869 -9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.036 -3.261 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.352 -0.978 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.758 -2.023 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.366 -2.695 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.450 -1.416 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.277 -2.870 -6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.621 -4.062 -7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.470 -4.809 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.914 -4.601 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.550 -3.447 -4.993 1.00 0.00 H new ATOM 152 N LYS A 10 -3.470 -0.082 -11.364 1.00 0.00 N ATOM 153 CA LYS A 10 -4.392 1.015 -11.636 1.00 0.00 C ATOM 154 C LYS A 10 -4.469 1.304 -13.132 1.00 0.00 C ATOM 155 O LYS A 10 -5.557 1.446 -13.690 1.00 0.00 O ATOM 156 CB LYS A 10 -3.953 2.274 -10.885 1.00 0.00 C ATOM 157 CG LYS A 10 -3.418 1.996 -9.491 1.00 0.00 C ATOM 158 CD LYS A 10 -4.437 1.258 -8.639 1.00 0.00 C ATOM 159 CE LYS A 10 -5.645 2.130 -8.334 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.839 1.722 -9.124 1.00 0.00 N ATOM 0 H LYS A 10 -2.560 0.210 -11.007 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.382 0.719 -11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.184 2.783 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.800 2.956 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.505 1.404 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.152 2.936 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.760 0.355 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.971 0.941 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.876 2.071 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.405 3.171 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.681 2.210 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.698 1.976 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.973 0.694 -9.044 1.00 0.00 H new ATOM 174 N ILE A 11 -3.309 1.387 -13.774 1.00 0.00 N ATOM 175 CA ILE A 11 -3.246 1.656 -15.205 1.00 0.00 C ATOM 176 C ILE A 11 -3.928 0.549 -16.003 1.00 0.00 C ATOM 177 O ILE A 11 -4.630 0.815 -16.979 1.00 0.00 O ATOM 178 CB ILE A 11 -1.791 1.799 -15.688 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.969 0.578 -15.270 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.173 3.075 -15.136 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.498 0.689 -15.621 1.00 0.00 C ATOM 0 H ILE A 11 -2.400 1.272 -13.326 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.770 2.597 -15.372 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.789 1.859 -16.776 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.067 0.435 -14.194 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.383 -0.310 -15.748 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.144 3.162 -15.486 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.747 3.935 -15.479 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.184 3.043 -14.047 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.019 -0.211 -15.295 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.607 0.801 -16.700 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.927 1.557 -15.121 1.00 0.00 H new ATOM 193 N ILE A 12 -3.718 -0.693 -15.579 1.00 0.00 N ATOM 194 CA ILE A 12 -4.314 -1.840 -16.252 1.00 0.00 C ATOM 195 C ILE A 12 -5.807 -1.937 -15.955 1.00 0.00 C ATOM 196 O ILE A 12 -6.585 -2.411 -16.782 1.00 0.00 O ATOM 197 CB ILE A 12 -3.632 -3.156 -15.833 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.917 -3.457 -14.360 1.00 0.00 C ATOM 199 CG2 ILE A 12 -2.134 -3.079 -16.083 1.00 0.00 C ATOM 200 CD1 ILE A 12 -3.336 -4.771 -13.888 1.00 0.00 C ATOM 0 H ILE A 12 -3.140 -0.930 -14.773 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.168 -1.689 -17.322 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.040 -3.967 -16.436 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.514 -2.650 -13.748 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.995 -3.468 -14.202 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.666 -4.016 -15.782 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.951 -2.906 -17.143 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.710 -2.259 -15.503 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.577 -4.918 -12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.758 -5.587 -14.475 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.253 -4.756 -14.014 1.00 0.00 H new ATOM 212 N SER A 13 -6.199 -1.483 -14.769 1.00 0.00 N ATOM 213 CA SER A 13 -7.598 -1.520 -14.361 1.00 0.00 C ATOM 214 C SER A 13 -8.406 -0.453 -15.093 1.00 0.00 C ATOM 215 O SER A 13 -9.621 -0.576 -15.250 1.00 0.00 O ATOM 216 CB SER A 13 -7.716 -1.317 -12.849 1.00 0.00 C ATOM 217 OG SER A 13 -9.070 -1.155 -12.460 1.00 0.00 O ATOM 0 H SER A 13 -5.567 -1.085 -14.074 1.00 0.00 H new ATOM 0 HA SER A 13 -8.001 -2.499 -14.622 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.285 -2.173 -12.329 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.141 -0.440 -12.551 1.00 0.00 H new ATOM 0 HG SER A 13 -9.119 -1.029 -11.489 1.00 0.00 H new ATOM 223 N LYS A 14 -7.722 0.595 -15.540 1.00 0.00 N ATOM 224 CA LYS A 14 -8.373 1.684 -16.258 1.00 0.00 C ATOM 225 C LYS A 14 -8.154 1.553 -17.762 1.00 0.00 C ATOM 226 O LYS A 14 -8.921 2.094 -18.558 1.00 0.00 O ATOM 227 CB LYS A 14 -7.840 3.033 -15.770 1.00 0.00 C ATOM 228 CG LYS A 14 -8.516 4.226 -16.423 1.00 0.00 C ATOM 229 CD LYS A 14 -7.689 4.776 -17.573 1.00 0.00 C ATOM 230 CE LYS A 14 -7.295 6.226 -17.332 1.00 0.00 C ATOM 231 NZ LYS A 14 -6.553 6.394 -16.052 1.00 0.00 N ATOM 0 H LYS A 14 -6.716 0.713 -15.417 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.443 1.629 -16.059 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.972 3.097 -14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.768 3.082 -15.963 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.500 3.932 -16.789 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.673 5.008 -15.680 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.792 4.170 -17.700 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.258 4.701 -18.500 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.677 6.577 -18.159 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.190 6.848 -17.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.914 7.211 -16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.229 6.551 -15.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.997 5.537 -15.858 1.00 0.00 H new ATOM 245 N GLN A 15 -7.106 0.830 -18.142 1.00 0.00 N ATOM 246 CA GLN A 15 -6.788 0.627 -19.550 1.00 0.00 C ATOM 247 C GLN A 15 -7.475 -0.623 -20.089 1.00 0.00 C ATOM 248 O GLN A 15 -8.171 -0.573 -21.104 1.00 0.00 O ATOM 249 CB GLN A 15 -5.275 0.515 -19.742 1.00 0.00 C ATOM 250 CG GLN A 15 -4.841 0.571 -21.198 1.00 0.00 C ATOM 251 CD GLN A 15 -5.185 1.890 -21.860 1.00 0.00 C ATOM 252 OE1 GLN A 15 -4.864 2.960 -21.342 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.843 1.822 -23.012 1.00 0.00 N ATOM 0 H GLN A 15 -6.463 0.375 -17.494 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.155 1.489 -20.107 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.787 1.321 -19.195 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.930 -0.422 -19.304 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.765 0.408 -21.259 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.318 -0.241 -21.747 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.089 0.914 -23.406 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.102 2.678 -23.503 1.00 0.00 H new ATOM 262 N LEU A 16 -7.276 -1.743 -19.403 1.00 0.00 N ATOM 263 CA LEU A 16 -7.877 -3.008 -19.813 1.00 0.00 C ATOM 264 C LEU A 16 -8.037 -3.946 -18.621 1.00 0.00 C ATOM 265 O LEU A 16 -7.137 -4.722 -18.303 1.00 0.00 O ATOM 266 CB LEU A 16 -7.021 -3.676 -20.891 1.00 0.00 C ATOM 267 CG LEU A 16 -5.555 -3.246 -20.946 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.851 -3.578 -19.639 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.848 -3.910 -22.118 1.00 0.00 C ATOM 0 H LEU A 16 -6.704 -1.801 -18.561 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.865 -2.797 -20.221 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.057 -4.755 -20.738 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.474 -3.476 -21.862 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.519 -2.166 -21.090 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.809 -3.265 -19.697 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.342 -3.055 -18.818 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.897 -4.653 -19.464 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.806 -3.592 -22.141 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.895 -4.993 -22.005 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.336 -3.621 -23.049 1.00 0.00 H new ATOM 281 N SER A 17 -9.191 -3.870 -17.966 1.00 0.00 N ATOM 282 CA SER A 17 -9.470 -4.711 -16.808 1.00 0.00 C ATOM 283 C SER A 17 -9.177 -6.176 -17.117 1.00 0.00 C ATOM 284 O SER A 17 -9.955 -6.846 -17.796 1.00 0.00 O ATOM 285 CB SER A 17 -10.929 -4.551 -16.374 1.00 0.00 C ATOM 286 OG SER A 17 -11.098 -3.396 -15.571 1.00 0.00 O ATOM 0 H SER A 17 -9.948 -3.234 -18.218 1.00 0.00 H new ATOM 0 HA SER A 17 -8.819 -4.392 -15.994 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.568 -4.483 -17.254 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.245 -5.434 -15.818 1.00 0.00 H new ATOM 0 HG SER A 17 -10.407 -2.738 -15.794 1.00 0.00 H new ATOM 292 N VAL A 18 -8.049 -6.666 -16.614 1.00 0.00 N ATOM 293 CA VAL A 18 -7.652 -8.051 -16.834 1.00 0.00 C ATOM 294 C VAL A 18 -7.064 -8.663 -15.568 1.00 0.00 C ATOM 295 O VAL A 18 -7.071 -8.041 -14.506 1.00 0.00 O ATOM 296 CB VAL A 18 -6.620 -8.165 -17.972 1.00 0.00 C ATOM 297 CG1 VAL A 18 -7.212 -7.669 -19.282 1.00 0.00 C ATOM 298 CG2 VAL A 18 -5.356 -7.393 -17.623 1.00 0.00 C ATOM 0 H VAL A 18 -7.394 -6.124 -16.051 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.553 -8.597 -17.113 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.356 -9.215 -18.095 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.468 -7.757 -20.074 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.086 -8.269 -19.536 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.507 -6.625 -19.176 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.637 -7.484 -18.438 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.602 -6.342 -17.472 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.922 -7.799 -16.709 1.00 0.00 H new ATOM 308 N GLU A 19 -6.557 -9.886 -15.688 1.00 0.00 N ATOM 309 CA GLU A 19 -5.966 -10.582 -14.551 1.00 0.00 C ATOM 310 C GLU A 19 -4.446 -10.448 -14.561 1.00 0.00 C ATOM 311 O GLU A 19 -3.777 -10.926 -15.476 1.00 0.00 O ATOM 312 CB GLU A 19 -6.358 -12.061 -14.570 1.00 0.00 C ATOM 313 CG GLU A 19 -6.091 -12.745 -15.900 1.00 0.00 C ATOM 314 CD GLU A 19 -7.364 -13.185 -16.596 1.00 0.00 C ATOM 315 OE1 GLU A 19 -8.143 -13.944 -15.982 1.00 0.00 O ATOM 316 OE2 GLU A 19 -7.581 -12.772 -17.754 1.00 0.00 O ATOM 0 H GLU A 19 -6.544 -10.415 -16.560 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.348 -10.124 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.810 -12.583 -13.786 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.418 -12.150 -14.332 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.542 -12.064 -16.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.452 -13.613 -15.736 1.00 0.00 H new ATOM 323 N GLU A 20 -3.909 -9.792 -13.537 1.00 0.00 N ATOM 324 CA GLU A 20 -2.468 -9.594 -13.428 1.00 0.00 C ATOM 325 C GLU A 20 -1.759 -10.910 -13.126 1.00 0.00 C ATOM 326 O GLU A 20 -0.530 -10.985 -13.148 1.00 0.00 O ATOM 327 CB GLU A 20 -2.153 -8.569 -12.337 1.00 0.00 C ATOM 328 CG GLU A 20 -2.828 -8.867 -11.009 1.00 0.00 C ATOM 329 CD GLU A 20 -3.665 -7.707 -10.506 1.00 0.00 C ATOM 330 OE1 GLU A 20 -3.263 -6.545 -10.726 1.00 0.00 O ATOM 331 OE2 GLU A 20 -4.723 -7.961 -9.893 1.00 0.00 O ATOM 0 H GLU A 20 -4.449 -9.389 -12.772 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.105 -9.218 -14.385 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.074 -8.531 -12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.462 -7.581 -12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.462 -9.747 -11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.068 -9.111 -10.266 1.00 0.00 H new ATOM 338 N ASP A 21 -2.542 -11.946 -12.842 1.00 0.00 N ATOM 339 CA ASP A 21 -1.990 -13.260 -12.536 1.00 0.00 C ATOM 340 C ASP A 21 -1.204 -13.810 -13.722 1.00 0.00 C ATOM 341 O ASP A 21 -0.421 -14.750 -13.581 1.00 0.00 O ATOM 342 CB ASP A 21 -3.109 -14.231 -12.155 1.00 0.00 C ATOM 343 CG ASP A 21 -3.326 -14.305 -10.657 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.166 -13.266 -9.982 1.00 0.00 O ATOM 345 OD2 ASP A 21 -3.656 -15.401 -10.158 1.00 0.00 O ATOM 0 H ASP A 21 -3.561 -11.900 -12.818 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.309 -13.153 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.035 -13.921 -12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.869 -15.224 -12.534 1.00 0.00 H new ATOM 350 N LYS A 22 -1.418 -13.218 -14.892 1.00 0.00 N ATOM 351 CA LYS A 22 -0.731 -13.648 -16.104 1.00 0.00 C ATOM 352 C LYS A 22 0.139 -12.526 -16.663 1.00 0.00 C ATOM 353 O LYS A 22 0.949 -12.747 -17.564 1.00 0.00 O ATOM 354 CB LYS A 22 -1.745 -14.094 -17.160 1.00 0.00 C ATOM 355 CG LYS A 22 -2.946 -13.172 -17.278 1.00 0.00 C ATOM 356 CD LYS A 22 -2.573 -11.851 -17.928 1.00 0.00 C ATOM 357 CE LYS A 22 -3.751 -11.245 -18.675 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.220 -12.126 -19.781 1.00 0.00 N ATOM 0 H LYS A 22 -2.062 -12.439 -15.027 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.089 -14.490 -15.847 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.247 -14.153 -18.128 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.091 -15.099 -16.918 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.724 -13.660 -17.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.362 -12.987 -16.288 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.227 -11.154 -17.165 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.744 -12.005 -18.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.571 -11.069 -17.979 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.464 -10.275 -19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.220 -11.592 -20.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.584 -12.944 -19.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.184 -12.457 -19.576 1.00 0.00 H new ATOM 372 N ILE A 23 -0.033 -11.325 -16.122 1.00 0.00 N ATOM 373 CA ILE A 23 0.738 -10.170 -16.565 1.00 0.00 C ATOM 374 C ILE A 23 2.049 -10.057 -15.795 1.00 0.00 C ATOM 375 O ILE A 23 2.930 -9.279 -16.162 1.00 0.00 O ATOM 376 CB ILE A 23 -0.058 -8.863 -16.397 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.051 -8.007 -17.660 1.00 0.00 C ATOM 378 CG2 ILE A 23 0.440 -8.092 -15.183 1.00 0.00 C ATOM 379 CD1 ILE A 23 1.471 -7.610 -18.000 1.00 0.00 C ATOM 0 H ILE A 23 -0.700 -11.126 -15.376 1.00 0.00 H new ATOM 0 HA ILE A 23 0.952 -10.321 -17.623 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.107 -9.112 -16.240 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.375 -8.556 -18.499 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.549 -7.106 -17.531 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.132 -7.170 -15.077 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.315 -8.702 -14.288 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.495 -7.851 -15.313 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.472 -7.005 -18.907 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.894 -7.033 -17.178 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.071 -8.506 -18.161 1.00 0.00 H new ATOM 391 N GLN A 24 2.172 -10.839 -14.728 1.00 0.00 N ATOM 392 CA GLN A 24 3.377 -10.827 -13.907 1.00 0.00 C ATOM 393 C GLN A 24 4.062 -12.189 -13.925 1.00 0.00 C ATOM 394 O GLN A 24 3.673 -13.100 -13.195 1.00 0.00 O ATOM 395 CB GLN A 24 3.035 -10.434 -12.468 1.00 0.00 C ATOM 396 CG GLN A 24 4.126 -10.779 -11.468 1.00 0.00 C ATOM 397 CD GLN A 24 3.626 -11.660 -10.339 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.973 -11.454 -9.176 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.806 -12.648 -10.678 1.00 0.00 N ATOM 0 H GLN A 24 1.452 -11.489 -14.412 1.00 0.00 H new ATOM 0 HA GLN A 24 4.063 -10.090 -14.325 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.844 -9.362 -12.429 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.112 -10.934 -12.173 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.941 -11.285 -11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.536 -9.859 -11.051 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.545 -12.782 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.437 -13.273 -9.961 1.00 0.00 H new ATOM 408 N MET A 25 5.083 -12.321 -14.765 1.00 0.00 N ATOM 409 CA MET A 25 5.823 -13.573 -14.878 1.00 0.00 C ATOM 410 C MET A 25 7.298 -13.365 -14.547 1.00 0.00 C ATOM 411 O MET A 25 8.097 -14.296 -14.623 1.00 0.00 O ATOM 412 CB MET A 25 5.681 -14.149 -16.288 1.00 0.00 C ATOM 413 CG MET A 25 4.459 -15.037 -16.461 1.00 0.00 C ATOM 414 SD MET A 25 4.849 -16.791 -16.317 1.00 0.00 S ATOM 415 CE MET A 25 3.258 -17.524 -16.688 1.00 0.00 C ATOM 0 H MET A 25 5.417 -11.577 -15.377 1.00 0.00 H new ATOM 0 HA MET A 25 5.404 -14.279 -14.161 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.628 -13.328 -17.003 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.575 -14.724 -16.529 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.713 -14.772 -15.712 1.00 0.00 H new ATOM 0 HG3 MET A 25 4.012 -14.847 -17.437 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.337 -18.610 -16.639 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.521 -17.181 -15.962 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.946 -17.228 -17.690 1.00 0.00 H new ATOM 425 N ASN A 26 7.650 -12.137 -14.180 1.00 0.00 N ATOM 426 CA ASN A 26 9.029 -11.807 -13.839 1.00 0.00 C ATOM 427 C ASN A 26 9.919 -11.842 -15.078 1.00 0.00 C ATOM 428 O ASN A 26 11.145 -11.793 -14.975 1.00 0.00 O ATOM 429 CB ASN A 26 9.562 -12.780 -12.786 1.00 0.00 C ATOM 430 CG ASN A 26 8.506 -13.167 -11.768 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.940 -14.258 -11.829 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.236 -12.271 -10.826 1.00 0.00 N ATOM 0 H ASN A 26 7.000 -11.354 -14.111 1.00 0.00 H new ATOM 0 HA ASN A 26 9.045 -10.796 -13.431 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.933 -13.678 -13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.409 -12.326 -12.272 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.534 -12.475 -10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.730 -11.379 -10.814 1.00 0.00 H new ATOM 439 N SER A 27 9.293 -11.927 -16.247 1.00 0.00 N ATOM 440 CA SER A 27 10.028 -11.972 -17.506 1.00 0.00 C ATOM 441 C SER A 27 9.907 -10.647 -18.254 1.00 0.00 C ATOM 442 O SER A 27 10.843 -9.850 -18.282 1.00 0.00 O ATOM 443 CB SER A 27 9.512 -13.114 -18.382 1.00 0.00 C ATOM 444 OG SER A 27 10.467 -14.156 -18.478 1.00 0.00 O ATOM 0 H SER A 27 8.279 -11.966 -16.349 1.00 0.00 H new ATOM 0 HA SER A 27 11.080 -12.146 -17.278 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.584 -13.505 -17.965 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.280 -12.736 -19.378 1.00 0.00 H new ATOM 0 HG SER A 27 10.112 -14.874 -19.042 1.00 0.00 H new ATOM 450 N ASN A 28 8.745 -10.421 -18.858 1.00 0.00 N ATOM 451 CA ASN A 28 8.499 -9.194 -19.608 1.00 0.00 C ATOM 452 C ASN A 28 7.021 -8.819 -19.568 1.00 0.00 C ATOM 453 O ASN A 28 6.188 -9.585 -19.083 1.00 0.00 O ATOM 454 CB ASN A 28 8.957 -9.358 -21.058 1.00 0.00 C ATOM 455 CG ASN A 28 10.158 -10.275 -21.186 1.00 0.00 C ATOM 456 OD1 ASN A 28 11.300 -9.847 -21.020 1.00 0.00 O ATOM 457 ND2 ASN A 28 9.904 -11.544 -21.484 1.00 0.00 N ATOM 0 H ASN A 28 7.959 -11.071 -18.843 1.00 0.00 H new ATOM 0 HA ASN A 28 9.071 -8.392 -19.142 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.135 -9.756 -21.653 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.205 -8.380 -21.471 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.672 -12.208 -21.584 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.941 -11.855 -21.613 1.00 0.00 H new ATOM 464 N PHE A 29 6.703 -7.635 -20.081 1.00 0.00 N ATOM 465 CA PHE A 29 5.325 -7.158 -20.105 1.00 0.00 C ATOM 466 C PHE A 29 4.726 -7.292 -21.502 1.00 0.00 C ATOM 467 O PHE A 29 3.535 -7.563 -21.657 1.00 0.00 O ATOM 468 CB PHE A 29 5.261 -5.699 -19.648 1.00 0.00 C ATOM 469 CG PHE A 29 4.822 -5.536 -18.220 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.575 -6.068 -17.186 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.658 -4.852 -17.913 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.174 -5.920 -15.872 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.251 -4.701 -16.601 1.00 0.00 C ATOM 474 CZ PHE A 29 4.011 -5.235 -15.579 1.00 0.00 C ATOM 0 H PHE A 29 7.380 -6.989 -20.485 1.00 0.00 H new ATOM 0 HA PHE A 29 4.742 -7.773 -19.419 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.244 -5.245 -19.772 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.574 -5.154 -20.295 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.485 -6.604 -17.409 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.061 -4.431 -18.709 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.770 -6.340 -15.075 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.340 -4.166 -16.375 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.697 -5.117 -14.553 1.00 0.00 H new ATOM 484 N THR A 30 5.562 -7.099 -22.518 1.00 0.00 N ATOM 485 CA THR A 30 5.116 -7.196 -23.902 1.00 0.00 C ATOM 486 C THR A 30 5.901 -8.262 -24.659 1.00 0.00 C ATOM 487 O THR A 30 5.756 -8.410 -25.872 1.00 0.00 O ATOM 488 CB THR A 30 5.263 -5.849 -24.635 1.00 0.00 C ATOM 489 OG1 THR A 30 4.612 -5.911 -25.909 1.00 0.00 O ATOM 490 CG2 THR A 30 6.730 -5.494 -24.827 1.00 0.00 C ATOM 0 H THR A 30 6.551 -6.875 -22.408 1.00 0.00 H new ATOM 0 HA THR A 30 4.062 -7.474 -23.876 1.00 0.00 H new ATOM 0 HB THR A 30 4.795 -5.076 -24.025 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.900 -6.718 -26.384 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.808 -4.539 -25.347 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.216 -5.419 -23.854 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.218 -6.270 -25.418 1.00 0.00 H new ATOM 498 N LYS A 31 6.732 -9.003 -23.935 1.00 0.00 N ATOM 499 CA LYS A 31 7.539 -10.057 -24.537 1.00 0.00 C ATOM 500 C LYS A 31 7.223 -11.411 -23.908 1.00 0.00 C ATOM 501 O LYS A 31 7.480 -12.457 -24.503 1.00 0.00 O ATOM 502 CB LYS A 31 9.029 -9.744 -24.374 1.00 0.00 C ATOM 503 CG LYS A 31 9.321 -8.267 -24.178 1.00 0.00 C ATOM 504 CD LYS A 31 10.809 -8.010 -24.009 1.00 0.00 C ATOM 505 CE LYS A 31 11.437 -7.504 -25.299 1.00 0.00 C ATOM 506 NZ LYS A 31 12.476 -6.468 -25.040 1.00 0.00 N ATOM 0 H LYS A 31 6.864 -8.893 -22.930 1.00 0.00 H new ATOM 0 HA LYS A 31 7.297 -10.103 -25.599 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.417 -10.299 -23.520 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.565 -10.098 -25.255 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.949 -7.705 -25.035 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.786 -7.903 -23.301 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.965 -7.279 -23.216 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.305 -8.929 -23.698 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.884 -8.340 -25.838 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.661 -7.088 -25.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.880 -6.148 -25.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.045 -5.659 -24.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.229 -6.872 -24.447 1.00 0.00 H new ATOM 520 N ASP A 32 6.662 -11.382 -22.704 1.00 0.00 N ATOM 521 CA ASP A 32 6.308 -12.607 -21.996 1.00 0.00 C ATOM 522 C ASP A 32 4.857 -12.990 -22.267 1.00 0.00 C ATOM 523 O ASP A 32 4.537 -14.167 -22.444 1.00 0.00 O ATOM 524 CB ASP A 32 6.531 -12.434 -20.493 1.00 0.00 C ATOM 525 CG ASP A 32 6.142 -13.670 -19.705 1.00 0.00 C ATOM 526 OD1 ASP A 32 4.936 -13.843 -19.431 1.00 0.00 O ATOM 527 OD2 ASP A 32 7.043 -14.463 -19.361 1.00 0.00 O ATOM 0 H ASP A 32 6.443 -10.524 -22.198 1.00 0.00 H new ATOM 0 HA ASP A 32 6.951 -13.408 -22.361 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.580 -12.204 -20.308 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.951 -11.582 -20.138 1.00 0.00 H new ATOM 532 N LEU A 33 3.982 -11.991 -22.297 1.00 0.00 N ATOM 533 CA LEU A 33 2.563 -12.224 -22.545 1.00 0.00 C ATOM 534 C LEU A 33 2.168 -11.743 -23.938 1.00 0.00 C ATOM 535 O LEU A 33 1.195 -12.222 -24.518 1.00 0.00 O ATOM 536 CB LEU A 33 1.717 -11.512 -21.488 1.00 0.00 C ATOM 537 CG LEU A 33 2.248 -10.165 -20.999 1.00 0.00 C ATOM 538 CD1 LEU A 33 1.108 -9.175 -20.817 1.00 0.00 C ATOM 539 CD2 LEU A 33 3.020 -10.336 -19.698 1.00 0.00 C ATOM 0 H LEU A 33 4.230 -11.012 -22.153 1.00 0.00 H new ATOM 0 HA LEU A 33 2.380 -13.297 -22.486 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.717 -11.360 -21.894 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.614 -12.173 -20.628 1.00 0.00 H new ATOM 0 HG LEU A 33 2.928 -9.770 -21.753 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.506 -8.222 -20.468 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.598 -9.029 -21.769 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.402 -9.564 -20.083 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.391 -9.367 -19.365 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.362 -10.754 -18.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.861 -11.010 -19.860 1.00 0.00 H new ATOM 551 N GLY A 34 2.933 -10.794 -24.470 1.00 0.00 N ATOM 552 CA GLY A 34 2.648 -10.266 -25.791 1.00 0.00 C ATOM 553 C GLY A 34 1.222 -9.769 -25.922 1.00 0.00 C ATOM 554 O GLY A 34 0.589 -9.947 -26.962 1.00 0.00 O ATOM 0 H GLY A 34 3.745 -10.382 -24.010 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.336 -9.449 -26.008 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.829 -11.041 -26.536 1.00 0.00 H new ATOM 558 N ALA A 35 0.715 -9.145 -24.864 1.00 0.00 N ATOM 559 CA ALA A 35 -0.645 -8.621 -24.865 1.00 0.00 C ATOM 560 C ALA A 35 -0.895 -7.746 -26.089 1.00 0.00 C ATOM 561 O ALA A 35 -1.556 -8.166 -27.039 1.00 0.00 O ATOM 562 CB ALA A 35 -0.909 -7.835 -23.589 1.00 0.00 C ATOM 0 H ALA A 35 1.226 -8.990 -23.995 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.333 -9.465 -24.907 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.928 -7.450 -23.603 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.780 -8.488 -22.726 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.208 -7.003 -23.522 1.00 0.00 H new ATOM 568 N ASP A 36 -0.364 -6.529 -26.058 1.00 0.00 N ATOM 569 CA ASP A 36 -0.529 -5.595 -27.166 1.00 0.00 C ATOM 570 C ASP A 36 0.381 -4.382 -26.995 1.00 0.00 C ATOM 571 O ASP A 36 0.459 -3.757 -25.939 1.00 0.00 O ATOM 572 CB ASP A 36 -1.987 -5.143 -27.267 1.00 0.00 C ATOM 573 CG ASP A 36 -2.638 -5.574 -28.566 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.992 -6.766 -28.685 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.793 -4.720 -29.465 1.00 0.00 O ATOM 0 H ASP A 36 0.184 -6.166 -25.278 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.251 -6.109 -28.086 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.550 -5.553 -26.428 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.034 -4.057 -27.183 1.00 0.00 H new ATOM 580 N SER A 37 1.105 -4.027 -28.071 1.00 0.00 N ATOM 581 CA SER A 37 2.060 -2.899 -28.147 1.00 0.00 C ATOM 582 C SER A 37 1.437 -1.563 -27.709 1.00 0.00 C ATOM 583 O SER A 37 2.014 -0.804 -26.929 1.00 0.00 O ATOM 584 CB SER A 37 2.572 -2.841 -29.595 1.00 0.00 C ATOM 585 OG SER A 37 1.522 -2.493 -30.499 1.00 0.00 O ATOM 0 H SER A 37 1.040 -4.538 -28.951 1.00 0.00 H new ATOM 0 HA SER A 37 2.883 -3.065 -27.452 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.377 -2.110 -29.670 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.991 -3.808 -29.875 1.00 0.00 H new ATOM 0 HG SER A 37 1.874 -2.461 -31.413 1.00 0.00 H new ATOM 590 N LEU A 38 0.245 -1.294 -28.230 1.00 0.00 N ATOM 591 CA LEU A 38 -0.470 -0.064 -27.910 1.00 0.00 C ATOM 592 C LEU A 38 -0.991 -0.094 -26.477 1.00 0.00 C ATOM 593 O LEU A 38 -0.900 0.897 -25.751 1.00 0.00 O ATOM 594 CB LEU A 38 -1.633 0.142 -28.883 1.00 0.00 C ATOM 595 CG LEU A 38 -1.370 -0.253 -30.336 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.900 -1.652 -30.613 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.999 0.756 -31.286 1.00 0.00 C ATOM 0 H LEU A 38 -0.247 -1.911 -28.876 1.00 0.00 H new ATOM 0 HA LEU A 38 0.228 0.768 -28.006 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.488 -0.429 -28.521 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.918 1.194 -28.859 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.293 -0.255 -30.502 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.704 -1.916 -31.652 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.402 -2.366 -29.957 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.974 -1.677 -30.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.801 0.458 -32.316 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.075 0.791 -31.119 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.571 1.742 -31.105 1.00 0.00 H new ATOM 609 N ASP A 39 -1.534 -1.238 -26.074 1.00 0.00 N ATOM 610 CA ASP A 39 -2.066 -1.399 -24.726 1.00 0.00 C ATOM 611 C ASP A 39 -0.961 -1.256 -23.685 1.00 0.00 C ATOM 612 O ASP A 39 -1.033 -0.402 -22.801 1.00 0.00 O ATOM 613 CB ASP A 39 -2.746 -2.762 -24.583 1.00 0.00 C ATOM 614 CG ASP A 39 -4.108 -2.802 -25.249 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.846 -1.800 -25.151 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.435 -3.837 -25.868 1.00 0.00 O ATOM 0 H ASP A 39 -1.617 -2.067 -26.662 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.803 -0.614 -24.556 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.108 -3.531 -25.020 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.855 -3.001 -23.525 1.00 0.00 H new ATOM 621 N LEU A 40 0.060 -2.099 -23.794 1.00 0.00 N ATOM 622 CA LEU A 40 1.181 -2.068 -22.861 1.00 0.00 C ATOM 623 C LEU A 40 1.756 -0.659 -22.747 1.00 0.00 C ATOM 624 O LEU A 40 1.970 -0.152 -21.646 1.00 0.00 O ATOM 625 CB LEU A 40 2.272 -3.041 -23.312 1.00 0.00 C ATOM 626 CG LEU A 40 2.221 -4.439 -22.694 1.00 0.00 C ATOM 627 CD1 LEU A 40 2.295 -4.355 -21.177 1.00 0.00 C ATOM 628 CD2 LEU A 40 0.958 -5.168 -23.129 1.00 0.00 C ATOM 0 H LEU A 40 0.135 -2.812 -24.519 1.00 0.00 H new ATOM 0 HA LEU A 40 0.814 -2.371 -21.880 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.215 -3.142 -24.396 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.242 -2.599 -23.083 1.00 0.00 H new ATOM 0 HG LEU A 40 3.083 -5.004 -23.048 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.257 -5.359 -20.755 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.228 -3.873 -20.884 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.453 -3.772 -20.803 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.938 -6.161 -22.680 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.083 -4.605 -22.804 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.947 -5.261 -24.215 1.00 0.00 H new ATOM 640 N VAL A 41 2.002 -0.031 -23.893 1.00 0.00 N ATOM 641 CA VAL A 41 2.548 1.320 -23.922 1.00 0.00 C ATOM 642 C VAL A 41 1.530 2.336 -23.416 1.00 0.00 C ATOM 643 O VAL A 41 1.894 3.416 -22.952 1.00 0.00 O ATOM 644 CB VAL A 41 2.990 1.717 -25.343 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.417 3.176 -25.382 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.113 0.810 -25.824 1.00 0.00 C ATOM 0 H VAL A 41 1.832 -0.437 -24.813 1.00 0.00 H new ATOM 0 HA VAL A 41 3.418 1.323 -23.265 1.00 0.00 H new ATOM 0 HB VAL A 41 2.142 1.595 -26.016 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.726 3.438 -26.394 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.581 3.808 -25.083 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.251 3.329 -24.697 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.413 1.105 -26.830 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.966 0.898 -25.151 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.766 -0.223 -25.837 1.00 0.00 H new ATOM 656 N GLU A 42 0.252 1.980 -23.509 1.00 0.00 N ATOM 657 CA GLU A 42 -0.820 2.862 -23.060 1.00 0.00 C ATOM 658 C GLU A 42 -0.874 2.920 -21.536 1.00 0.00 C ATOM 659 O GLU A 42 -0.650 3.972 -20.936 1.00 0.00 O ATOM 660 CB GLU A 42 -2.165 2.387 -23.612 1.00 0.00 C ATOM 661 CG GLU A 42 -2.605 3.126 -24.865 1.00 0.00 C ATOM 662 CD GLU A 42 -3.703 4.136 -24.591 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.404 5.189 -23.990 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.861 3.873 -24.978 1.00 0.00 O ATOM 0 H GLU A 42 -0.066 1.089 -23.890 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.614 3.864 -23.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.102 1.321 -23.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.927 2.509 -22.842 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.747 3.637 -25.301 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.956 2.405 -25.603 1.00 0.00 H new ATOM 671 N LEU A 43 -1.174 1.784 -20.917 1.00 0.00 N ATOM 672 CA LEU A 43 -1.259 1.704 -19.463 1.00 0.00 C ATOM 673 C LEU A 43 -0.016 2.300 -18.812 1.00 0.00 C ATOM 674 O LEU A 43 -0.107 3.010 -17.810 1.00 0.00 O ATOM 675 CB LEU A 43 -1.433 0.250 -19.022 1.00 0.00 C ATOM 676 CG LEU A 43 -0.330 -0.718 -19.449 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.577 -1.046 -18.274 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.931 -1.989 -20.032 1.00 0.00 C ATOM 0 H LEU A 43 -1.363 0.905 -21.399 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.127 2.280 -19.142 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.507 0.228 -17.935 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.382 -0.116 -19.414 1.00 0.00 H new ATOM 0 HG LEU A 43 0.270 -0.236 -20.221 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.356 -1.736 -18.597 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.036 -0.130 -17.902 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.009 -1.507 -17.479 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.131 -2.666 -20.330 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.556 -2.474 -19.282 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.538 -1.739 -20.902 1.00 0.00 H new ATOM 690 N ILE A 44 1.146 2.008 -19.388 1.00 0.00 N ATOM 691 CA ILE A 44 2.407 2.518 -18.865 1.00 0.00 C ATOM 692 C ILE A 44 2.455 4.040 -18.934 1.00 0.00 C ATOM 693 O ILE A 44 2.831 4.704 -17.968 1.00 0.00 O ATOM 694 CB ILE A 44 3.610 1.942 -19.635 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.709 0.431 -19.413 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.895 2.632 -19.204 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.592 -0.271 -20.421 1.00 0.00 C ATOM 0 H ILE A 44 1.240 1.421 -20.217 1.00 0.00 H new ATOM 0 HA ILE A 44 2.468 2.202 -17.824 1.00 0.00 H new ATOM 0 HB ILE A 44 3.463 2.125 -20.699 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.095 0.244 -18.411 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.709 -0.001 -19.455 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.736 2.214 -19.757 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.821 3.700 -19.409 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.050 2.478 -18.136 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.616 -1.339 -20.203 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.195 -0.114 -21.424 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.603 0.134 -20.364 1.00 0.00 H new ATOM 709 N MET A 45 2.071 4.588 -20.083 1.00 0.00 N ATOM 710 CA MET A 45 2.068 6.033 -20.277 1.00 0.00 C ATOM 711 C MET A 45 1.317 6.731 -19.148 1.00 0.00 C ATOM 712 O MET A 45 1.655 7.851 -18.765 1.00 0.00 O ATOM 713 CB MET A 45 1.434 6.387 -21.623 1.00 0.00 C ATOM 714 CG MET A 45 0.011 6.910 -21.506 1.00 0.00 C ATOM 715 SD MET A 45 -0.809 7.058 -23.105 1.00 0.00 S ATOM 716 CE MET A 45 -1.810 8.519 -22.839 1.00 0.00 C ATOM 0 H MET A 45 1.758 4.053 -20.893 1.00 0.00 H new ATOM 0 HA MET A 45 3.102 6.378 -20.269 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.049 7.138 -22.119 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.436 5.503 -22.260 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.566 6.242 -20.867 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.025 7.885 -21.018 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.378 8.740 -23.742 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.497 8.343 -22.012 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.164 9.364 -22.601 1.00 0.00 H new ATOM 726 N ALA A 46 0.296 6.063 -18.621 1.00 0.00 N ATOM 727 CA ALA A 46 -0.501 6.620 -17.535 1.00 0.00 C ATOM 728 C ALA A 46 0.193 6.430 -16.190 1.00 0.00 C ATOM 729 O ALA A 46 0.067 7.263 -15.292 1.00 0.00 O ATOM 730 CB ALA A 46 -1.882 5.980 -17.513 1.00 0.00 C ATOM 0 H ALA A 46 0.002 5.136 -18.928 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.610 7.690 -17.710 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.467 6.405 -16.697 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.387 6.172 -18.460 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.782 4.905 -17.366 1.00 0.00 H new ATOM 736 N LEU A 47 0.926 5.330 -16.059 1.00 0.00 N ATOM 737 CA LEU A 47 1.640 5.030 -14.822 1.00 0.00 C ATOM 738 C LEU A 47 2.725 6.069 -14.555 1.00 0.00 C ATOM 739 O LEU A 47 2.932 6.484 -13.416 1.00 0.00 O ATOM 740 CB LEU A 47 2.262 3.634 -14.895 1.00 0.00 C ATOM 741 CG LEU A 47 3.693 3.509 -14.372 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.918 2.137 -13.756 1.00 0.00 C ATOM 743 CD2 LEU A 47 4.694 3.763 -15.490 1.00 0.00 C ATOM 0 H LEU A 47 1.042 4.631 -16.793 1.00 0.00 H new ATOM 0 HA LEU A 47 0.924 5.059 -14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.630 2.947 -14.333 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.246 3.305 -15.934 1.00 0.00 H new ATOM 0 HG LEU A 47 3.843 4.262 -13.598 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.942 2.066 -13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.225 1.992 -12.927 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.749 1.368 -14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.707 3.670 -15.099 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.543 3.034 -16.286 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.549 4.768 -15.887 1.00 0.00 H new ATOM 755 N GLU A 48 3.413 6.485 -15.614 1.00 0.00 N ATOM 756 CA GLU A 48 4.475 7.476 -15.493 1.00 0.00 C ATOM 757 C GLU A 48 3.895 8.882 -15.364 1.00 0.00 C ATOM 758 O GLU A 48 4.372 9.690 -14.567 1.00 0.00 O ATOM 759 CB GLU A 48 5.409 7.407 -16.703 1.00 0.00 C ATOM 760 CG GLU A 48 4.703 7.632 -18.030 1.00 0.00 C ATOM 761 CD GLU A 48 4.704 9.089 -18.451 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.142 9.939 -17.648 1.00 0.00 O ATOM 763 OE2 GLU A 48 4.266 9.378 -19.584 1.00 0.00 O ATOM 0 H GLU A 48 3.254 6.151 -16.565 1.00 0.00 H new ATOM 0 HA GLU A 48 5.044 7.252 -14.591 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.195 8.154 -16.588 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.896 6.432 -16.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.188 7.034 -18.802 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.674 7.280 -17.954 1.00 0.00 H new ATOM 770 N GLU A 49 2.865 9.166 -16.155 1.00 0.00 N ATOM 771 CA GLU A 49 2.221 10.474 -16.130 1.00 0.00 C ATOM 772 C GLU A 49 1.759 10.826 -14.719 1.00 0.00 C ATOM 773 O GLU A 49 1.833 11.981 -14.299 1.00 0.00 O ATOM 774 CB GLU A 49 1.030 10.499 -17.090 1.00 0.00 C ATOM 775 CG GLU A 49 1.260 11.358 -18.322 1.00 0.00 C ATOM 776 CD GLU A 49 0.102 11.298 -19.300 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.948 10.727 -18.939 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.247 11.820 -20.424 1.00 0.00 O ATOM 0 H GLU A 49 2.459 8.508 -16.821 1.00 0.00 H new ATOM 0 HA GLU A 49 2.952 11.217 -16.450 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.806 9.480 -17.405 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.153 10.868 -16.558 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.418 12.392 -18.015 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.171 11.031 -18.823 1.00 0.00 H new ATOM 785 N LYS A 50 1.281 9.822 -13.992 1.00 0.00 N ATOM 786 CA LYS A 50 0.806 10.023 -12.628 1.00 0.00 C ATOM 787 C LYS A 50 1.973 10.073 -11.647 1.00 0.00 C ATOM 788 O LYS A 50 1.986 10.886 -10.722 1.00 0.00 O ATOM 789 CB LYS A 50 -0.159 8.903 -12.231 1.00 0.00 C ATOM 790 CG LYS A 50 -0.651 9.003 -10.798 1.00 0.00 C ATOM 791 CD LYS A 50 -1.377 7.740 -10.368 1.00 0.00 C ATOM 792 CE LYS A 50 -2.413 8.030 -9.293 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.298 6.858 -9.044 1.00 0.00 N ATOM 0 H LYS A 50 1.212 8.860 -14.325 1.00 0.00 H new ATOM 0 HA LYS A 50 0.281 10.977 -12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.017 8.919 -12.903 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.336 7.942 -12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.195 9.182 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.319 9.859 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.864 7.288 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.655 7.014 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.908 8.307 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.019 8.885 -9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.990 7.096 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.799 6.609 -9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.723 6.049 -8.732 1.00 0.00 H new ATOM 807 N PHE A 51 2.954 9.201 -11.856 1.00 0.00 N ATOM 808 CA PHE A 51 4.126 9.146 -10.991 1.00 0.00 C ATOM 809 C PHE A 51 4.935 10.437 -11.089 1.00 0.00 C ATOM 810 O PHE A 51 5.792 10.710 -10.250 1.00 0.00 O ATOM 811 CB PHE A 51 5.005 7.951 -11.362 1.00 0.00 C ATOM 812 CG PHE A 51 4.807 6.760 -10.468 1.00 0.00 C ATOM 813 CD1 PHE A 51 4.900 6.888 -9.091 1.00 0.00 C ATOM 814 CD2 PHE A 51 4.527 5.513 -11.004 1.00 0.00 C ATOM 815 CE1 PHE A 51 4.719 5.794 -8.266 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.345 4.416 -10.184 1.00 0.00 C ATOM 817 CZ PHE A 51 4.440 4.557 -8.813 1.00 0.00 C ATOM 0 H PHE A 51 2.960 8.523 -12.618 1.00 0.00 H new ATOM 0 HA PHE A 51 3.783 9.030 -9.963 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.795 7.661 -12.392 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.051 8.254 -11.324 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.116 7.853 -8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.450 5.397 -12.075 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.796 5.906 -7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.129 3.449 -10.614 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.296 3.701 -8.170 1.00 0.00 H new ATOM 827 N ASN A 52 4.655 11.226 -12.121 1.00 0.00 N ATOM 828 CA ASN A 52 5.357 12.487 -12.331 1.00 0.00 C ATOM 829 C ASN A 52 6.817 12.242 -12.700 1.00 0.00 C ATOM 830 O ASN A 52 7.724 12.840 -12.121 1.00 0.00 O ATOM 831 CB ASN A 52 5.276 13.355 -11.074 1.00 0.00 C ATOM 832 CG ASN A 52 5.582 14.813 -11.357 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.520 15.261 -12.502 1.00 0.00 O ATOM 834 ND2 ASN A 52 5.914 15.562 -10.312 1.00 0.00 N ATOM 0 H ASN A 52 3.947 11.015 -12.825 1.00 0.00 H new ATOM 0 HA ASN A 52 4.875 13.009 -13.157 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.278 13.273 -10.643 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.977 12.977 -10.329 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.130 16.550 -10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.953 15.149 -9.380 1.00 0.00 H new ATOM 841 N VAL A 53 7.037 11.360 -13.669 1.00 0.00 N ATOM 842 CA VAL A 53 8.386 11.036 -14.118 1.00 0.00 C ATOM 843 C VAL A 53 8.554 11.324 -15.606 1.00 0.00 C ATOM 844 O VAL A 53 7.635 11.813 -16.263 1.00 0.00 O ATOM 845 CB VAL A 53 8.728 9.559 -13.850 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.597 9.429 -12.608 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.456 8.735 -13.710 1.00 0.00 C ATOM 0 H VAL A 53 6.298 10.856 -14.159 1.00 0.00 H new ATOM 0 HA VAL A 53 9.069 11.667 -13.549 1.00 0.00 H new ATOM 0 HB VAL A 53 9.291 9.174 -14.700 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.829 8.378 -12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.523 9.986 -12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.063 9.830 -11.747 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.716 7.694 -13.521 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.864 9.118 -12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.876 8.803 -14.630 1.00 0.00 H new ATOM 857 N THR A 54 9.735 11.015 -16.133 1.00 0.00 N ATOM 858 CA THR A 54 10.024 11.240 -17.543 1.00 0.00 C ATOM 859 C THR A 54 10.743 10.043 -18.155 1.00 0.00 C ATOM 860 O THR A 54 11.925 10.122 -18.492 1.00 0.00 O ATOM 861 CB THR A 54 10.887 12.500 -17.746 1.00 0.00 C ATOM 862 OG1 THR A 54 11.237 12.638 -19.127 1.00 0.00 O ATOM 863 CG2 THR A 54 12.150 12.433 -16.901 1.00 0.00 C ATOM 0 H THR A 54 10.506 10.608 -15.604 1.00 0.00 H new ATOM 0 HA THR A 54 9.066 11.380 -18.043 1.00 0.00 H new ATOM 0 HB THR A 54 10.305 13.366 -17.432 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.880 11.941 -19.373 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.743 13.333 -17.061 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.880 12.359 -15.848 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.734 11.558 -17.188 1.00 0.00 H new ATOM 871 N ILE A 55 10.022 8.936 -18.297 1.00 0.00 N ATOM 872 CA ILE A 55 10.592 7.722 -18.870 1.00 0.00 C ATOM 873 C ILE A 55 10.059 7.477 -20.277 1.00 0.00 C ATOM 874 O ILE A 55 10.790 7.602 -21.260 1.00 0.00 O ATOM 875 CB ILE A 55 10.289 6.491 -17.996 1.00 0.00 C ATOM 876 CG1 ILE A 55 10.046 6.914 -16.546 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.432 5.490 -18.077 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.596 7.222 -16.241 1.00 0.00 C ATOM 0 H ILE A 55 9.043 8.854 -18.024 1.00 0.00 H new ATOM 0 HA ILE A 55 11.671 7.869 -18.913 1.00 0.00 H new ATOM 0 HB ILE A 55 9.385 6.012 -18.371 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.388 6.120 -15.882 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.650 7.795 -16.327 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.203 4.625 -17.454 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.562 5.169 -19.110 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.351 5.958 -17.725 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.498 7.515 -15.196 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.255 8.037 -16.879 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.989 6.336 -16.428 1.00 0.00 H new ATOM 890 N SER A 56 8.780 7.127 -20.367 1.00 0.00 N ATOM 891 CA SER A 56 8.148 6.862 -21.655 1.00 0.00 C ATOM 892 C SER A 56 8.790 5.657 -22.336 1.00 0.00 C ATOM 893 O SER A 56 8.294 4.535 -22.233 1.00 0.00 O ATOM 894 CB SER A 56 8.253 8.090 -22.561 1.00 0.00 C ATOM 895 OG SER A 56 7.053 8.843 -22.539 1.00 0.00 O ATOM 0 H SER A 56 8.161 7.020 -19.564 1.00 0.00 H new ATOM 0 HA SER A 56 7.096 6.640 -21.477 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.085 8.715 -22.236 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.470 7.775 -23.582 1.00 0.00 H new ATOM 0 HG SER A 56 7.146 9.623 -23.124 1.00 0.00 H new ATOM 901 N ASP A 57 9.894 5.899 -23.033 1.00 0.00 N ATOM 902 CA ASP A 57 10.606 4.835 -23.732 1.00 0.00 C ATOM 903 C ASP A 57 11.129 3.793 -22.747 1.00 0.00 C ATOM 904 O ASP A 57 10.640 2.665 -22.706 1.00 0.00 O ATOM 905 CB ASP A 57 11.765 5.415 -24.544 1.00 0.00 C ATOM 906 CG ASP A 57 11.408 5.611 -26.004 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.345 6.206 -26.281 1.00 0.00 O ATOM 908 OD2 ASP A 57 12.192 5.171 -26.870 1.00 0.00 O ATOM 0 H ASP A 57 10.316 6.823 -23.129 1.00 0.00 H new ATOM 0 HA ASP A 57 9.906 4.348 -24.411 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.063 6.371 -24.114 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.626 4.750 -24.469 1.00 0.00 H new ATOM 913 N GLN A 58 12.125 4.181 -21.958 1.00 0.00 N ATOM 914 CA GLN A 58 12.715 3.279 -20.975 1.00 0.00 C ATOM 915 C GLN A 58 11.635 2.611 -20.132 1.00 0.00 C ATOM 916 O GLN A 58 11.816 1.496 -19.642 1.00 0.00 O ATOM 917 CB GLN A 58 13.686 4.041 -20.071 1.00 0.00 C ATOM 918 CG GLN A 58 15.125 4.008 -20.560 1.00 0.00 C ATOM 919 CD GLN A 58 15.631 2.598 -20.790 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.036 1.910 -19.853 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.610 2.159 -22.043 1.00 0.00 N ATOM 0 H GLN A 58 12.540 5.112 -21.980 1.00 0.00 H new ATOM 0 HA GLN A 58 13.262 2.504 -21.512 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.361 5.078 -19.995 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.642 3.619 -19.067 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.202 4.574 -21.489 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.764 4.505 -19.830 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.266 2.763 -22.789 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.938 1.218 -22.259 1.00 0.00 H new ATOM 930 N ASP A 59 10.511 3.300 -19.965 1.00 0.00 N ATOM 931 CA ASP A 59 9.400 2.773 -19.181 1.00 0.00 C ATOM 932 C ASP A 59 8.997 1.386 -19.673 1.00 0.00 C ATOM 933 O ASP A 59 9.241 0.383 -19.002 1.00 0.00 O ATOM 934 CB ASP A 59 8.202 3.721 -19.252 1.00 0.00 C ATOM 935 CG ASP A 59 7.766 4.207 -17.884 1.00 0.00 C ATOM 936 OD1 ASP A 59 8.634 4.334 -16.996 1.00 0.00 O ATOM 937 OD2 ASP A 59 6.557 4.459 -17.701 1.00 0.00 O ATOM 0 H ASP A 59 10.345 4.225 -20.362 1.00 0.00 H new ATOM 0 HA ASP A 59 9.727 2.690 -18.144 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.457 4.579 -19.874 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.368 3.213 -19.736 1.00 0.00 H new ATOM 942 N ALA A 60 8.378 1.338 -20.848 1.00 0.00 N ATOM 943 CA ALA A 60 7.942 0.074 -21.430 1.00 0.00 C ATOM 944 C ALA A 60 9.089 -0.928 -21.488 1.00 0.00 C ATOM 945 O ALA A 60 8.874 -2.139 -21.412 1.00 0.00 O ATOM 946 CB ALA A 60 7.369 0.304 -22.821 1.00 0.00 C ATOM 0 H ALA A 60 8.167 2.159 -21.415 1.00 0.00 H new ATOM 0 HA ALA A 60 7.163 -0.342 -20.792 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.047 -0.648 -23.244 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.516 0.979 -22.756 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.133 0.746 -23.461 1.00 0.00 H new ATOM 952 N LEU A 61 10.308 -0.418 -21.624 1.00 0.00 N ATOM 953 CA LEU A 61 11.491 -1.269 -21.693 1.00 0.00 C ATOM 954 C LEU A 61 12.135 -1.419 -20.319 1.00 0.00 C ATOM 955 O LEU A 61 13.352 -1.562 -20.203 1.00 0.00 O ATOM 956 CB LEU A 61 12.503 -0.690 -22.683 1.00 0.00 C ATOM 957 CG LEU A 61 12.044 -0.602 -24.139 1.00 0.00 C ATOM 958 CD1 LEU A 61 12.628 0.633 -24.808 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.437 -1.860 -24.899 1.00 0.00 C ATOM 0 H LEU A 61 10.503 0.581 -21.689 1.00 0.00 H new ATOM 0 HA LEU A 61 11.179 -2.255 -22.037 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.777 0.311 -22.348 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.407 -1.297 -22.644 1.00 0.00 H new ATOM 0 HG LEU A 61 10.957 -0.518 -24.154 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.291 0.680 -25.844 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.296 1.525 -24.278 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.716 0.580 -24.783 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.102 -1.780 -25.933 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.521 -1.975 -24.876 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.970 -2.728 -24.433 1.00 0.00 H new ATOM 971 N LYS A 62 11.309 -1.389 -19.278 1.00 0.00 N ATOM 972 CA LYS A 62 11.796 -1.525 -17.910 1.00 0.00 C ATOM 973 C LYS A 62 10.815 -2.326 -17.061 1.00 0.00 C ATOM 974 O LYS A 62 11.191 -3.314 -16.428 1.00 0.00 O ATOM 975 CB LYS A 62 12.019 -0.145 -17.287 1.00 0.00 C ATOM 976 CG LYS A 62 12.476 -0.198 -15.839 1.00 0.00 C ATOM 977 CD LYS A 62 13.913 0.275 -15.691 1.00 0.00 C ATOM 978 CE LYS A 62 14.057 1.743 -16.061 1.00 0.00 C ATOM 979 NZ LYS A 62 14.630 2.543 -14.944 1.00 0.00 N ATOM 0 H LYS A 62 10.299 -1.272 -19.356 1.00 0.00 H new ATOM 0 HA LYS A 62 12.745 -2.061 -17.940 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.763 0.394 -17.874 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.092 0.425 -17.346 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.822 0.424 -15.227 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.387 -1.218 -15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.243 0.124 -14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.563 -0.327 -16.326 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.696 1.835 -16.939 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.082 2.146 -16.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.281 3.521 -15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.343 2.126 -14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.668 2.542 -15.013 1.00 0.00 H new ATOM 993 N ILE A 63 9.558 -1.896 -17.053 1.00 0.00 N ATOM 994 CA ILE A 63 8.524 -2.576 -16.283 1.00 0.00 C ATOM 995 C ILE A 63 8.411 -4.042 -16.688 1.00 0.00 C ATOM 996 O ILE A 63 7.920 -4.871 -15.924 1.00 0.00 O ATOM 997 CB ILE A 63 7.152 -1.899 -16.462 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.127 -0.551 -15.738 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.043 -2.804 -15.946 1.00 0.00 C ATOM 1000 CD1 ILE A 63 7.756 0.573 -16.531 1.00 0.00 C ATOM 0 H ILE A 63 9.231 -1.080 -17.571 1.00 0.00 H new ATOM 0 HA ILE A 63 8.818 -2.512 -15.235 1.00 0.00 H new ATOM 0 HB ILE A 63 6.985 -1.723 -17.525 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.094 -0.290 -15.510 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.649 -0.649 -14.786 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.080 -2.312 -16.079 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.051 -3.742 -16.501 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.203 -3.008 -14.887 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.703 1.498 -15.957 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.799 0.333 -16.737 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.220 0.699 -17.472 1.00 0.00 H new ATOM 1012 N ASN A 64 8.872 -4.354 -17.895 1.00 0.00 N ATOM 1013 CA ASN A 64 8.824 -5.720 -18.402 1.00 0.00 C ATOM 1014 C ASN A 64 9.189 -6.719 -17.309 1.00 0.00 C ATOM 1015 O ASN A 64 8.468 -7.690 -17.072 1.00 0.00 O ATOM 1016 CB ASN A 64 9.773 -5.879 -19.591 1.00 0.00 C ATOM 1017 CG ASN A 64 10.836 -4.797 -19.631 1.00 0.00 C ATOM 1018 OD1 ASN A 64 10.687 -3.790 -20.323 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.916 -5.002 -18.886 1.00 0.00 N ATOM 0 H ASN A 64 9.283 -3.679 -18.540 1.00 0.00 H new ATOM 0 HA ASN A 64 7.805 -5.923 -18.730 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.254 -6.856 -19.540 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.198 -5.855 -20.517 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.665 -4.310 -18.872 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.997 -5.852 -18.328 1.00 0.00 H new ATOM 1026 N THR A 65 10.313 -6.475 -16.642 1.00 0.00 N ATOM 1027 CA THR A 65 10.774 -7.352 -15.574 1.00 0.00 C ATOM 1028 C THR A 65 10.358 -6.821 -14.207 1.00 0.00 C ATOM 1029 O THR A 65 10.668 -5.684 -13.851 1.00 0.00 O ATOM 1030 CB THR A 65 12.306 -7.516 -15.604 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.935 -6.332 -15.100 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.793 -7.793 -17.018 1.00 0.00 C ATOM 0 H THR A 65 10.921 -5.676 -16.823 1.00 0.00 H new ATOM 0 HA THR A 65 10.308 -8.323 -15.740 1.00 0.00 H new ATOM 0 HB THR A 65 12.571 -8.364 -14.973 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.770 -6.573 -14.648 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.877 -7.905 -17.014 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.335 -8.710 -17.387 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.516 -6.962 -17.667 1.00 0.00 H new ATOM 1040 N VAL A 66 9.654 -7.651 -13.444 1.00 0.00 N ATOM 1041 CA VAL A 66 9.196 -7.265 -12.115 1.00 0.00 C ATOM 1042 C VAL A 66 10.325 -6.636 -11.306 1.00 0.00 C ATOM 1043 O VAL A 66 10.089 -5.779 -10.455 1.00 0.00 O ATOM 1044 CB VAL A 66 8.637 -8.473 -11.341 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.253 -8.070 -9.926 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.446 -9.071 -12.075 1.00 0.00 C ATOM 0 H VAL A 66 9.388 -8.595 -13.724 1.00 0.00 H new ATOM 0 HA VAL A 66 8.401 -6.533 -12.255 1.00 0.00 H new ATOM 0 HB VAL A 66 9.416 -9.233 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.860 -8.937 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.132 -7.692 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.491 -7.291 -9.964 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.064 -9.924 -11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.663 -8.319 -12.171 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.757 -9.399 -13.067 1.00 0.00 H new ATOM 1056 N GLN A 67 11.552 -7.067 -11.579 1.00 0.00 N ATOM 1057 CA GLN A 67 12.719 -6.546 -10.876 1.00 0.00 C ATOM 1058 C GLN A 67 12.996 -5.101 -11.279 1.00 0.00 C ATOM 1059 O GLN A 67 13.143 -4.226 -10.426 1.00 0.00 O ATOM 1060 CB GLN A 67 13.945 -7.413 -11.165 1.00 0.00 C ATOM 1061 CG GLN A 67 15.231 -6.869 -10.564 1.00 0.00 C ATOM 1062 CD GLN A 67 15.206 -6.856 -9.048 1.00 0.00 C ATOM 1063 OE1 GLN A 67 15.677 -7.791 -8.400 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.656 -5.793 -8.474 1.00 0.00 N ATOM 0 H GLN A 67 11.764 -7.775 -12.282 1.00 0.00 H new ATOM 0 HA GLN A 67 12.509 -6.572 -9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.769 -8.417 -10.778 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.069 -7.505 -12.244 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.071 -7.474 -10.905 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.399 -5.856 -10.930 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.278 -5.041 -9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.612 -5.728 -7.457 1.00 0.00 H new ATOM 1073 N ASP A 68 13.067 -4.860 -12.583 1.00 0.00 N ATOM 1074 CA ASP A 68 13.327 -3.521 -13.100 1.00 0.00 C ATOM 1075 C ASP A 68 12.138 -2.600 -12.844 1.00 0.00 C ATOM 1076 O ASP A 68 12.304 -1.396 -12.651 1.00 0.00 O ATOM 1077 CB ASP A 68 13.630 -3.579 -14.598 1.00 0.00 C ATOM 1078 CG ASP A 68 14.903 -4.343 -14.902 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.704 -4.559 -13.968 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.099 -4.727 -16.074 1.00 0.00 O ATOM 0 H ASP A 68 12.948 -5.574 -13.302 1.00 0.00 H new ATOM 0 HA ASP A 68 14.195 -3.119 -12.578 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.795 -4.050 -15.117 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.717 -2.565 -14.988 1.00 0.00 H new ATOM 1085 N ALA A 69 10.940 -3.174 -12.845 1.00 0.00 N ATOM 1086 CA ALA A 69 9.724 -2.405 -12.612 1.00 0.00 C ATOM 1087 C ALA A 69 9.736 -1.765 -11.228 1.00 0.00 C ATOM 1088 O ALA A 69 9.693 -0.541 -11.100 1.00 0.00 O ATOM 1089 CB ALA A 69 8.499 -3.293 -12.774 1.00 0.00 C ATOM 0 H ALA A 69 10.785 -4.169 -13.005 1.00 0.00 H new ATOM 0 HA ALA A 69 9.681 -1.606 -13.353 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.598 -2.706 -12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.475 -3.699 -13.785 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.545 -4.111 -12.056 1.00 0.00 H new ATOM 1095 N ILE A 70 9.794 -2.599 -10.195 1.00 0.00 N ATOM 1096 CA ILE A 70 9.812 -2.113 -8.821 1.00 0.00 C ATOM 1097 C ILE A 70 11.035 -1.241 -8.563 1.00 0.00 C ATOM 1098 O ILE A 70 11.010 -0.357 -7.706 1.00 0.00 O ATOM 1099 CB ILE A 70 9.803 -3.277 -7.812 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.091 -4.094 -7.931 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.586 -4.163 -8.036 1.00 0.00 C ATOM 1102 CD1 ILE A 70 12.190 -3.627 -7.003 1.00 0.00 C ATOM 0 H ILE A 70 9.829 -3.615 -10.284 1.00 0.00 H new ATOM 0 HA ILE A 70 8.909 -1.518 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 70 9.748 -2.864 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.869 -5.140 -7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.449 -4.045 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.594 -4.981 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.678 -3.574 -7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.613 -4.570 -9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.073 -4.251 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.440 -2.590 -7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.851 -3.703 -5.970 1.00 0.00 H new ATOM 1114 N ASP A 71 12.103 -1.493 -9.310 1.00 0.00 N ATOM 1115 CA ASP A 71 13.337 -0.728 -9.164 1.00 0.00 C ATOM 1116 C ASP A 71 13.229 0.617 -9.876 1.00 0.00 C ATOM 1117 O ASP A 71 13.937 1.567 -9.540 1.00 0.00 O ATOM 1118 CB ASP A 71 14.522 -1.520 -9.719 1.00 0.00 C ATOM 1119 CG ASP A 71 15.825 -0.751 -9.629 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.252 -0.439 -8.498 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.418 -0.461 -10.689 1.00 0.00 O ATOM 0 H ASP A 71 12.140 -2.221 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 71 13.499 -0.545 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.618 -2.457 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.327 -1.778 -10.760 1.00 0.00 H new ATOM 1126 N TYR A 72 12.342 0.689 -10.862 1.00 0.00 N ATOM 1127 CA TYR A 72 12.144 1.917 -11.624 1.00 0.00 C ATOM 1128 C TYR A 72 11.281 2.907 -10.848 1.00 0.00 C ATOM 1129 O TYR A 72 11.489 4.118 -10.920 1.00 0.00 O ATOM 1130 CB TYR A 72 11.495 1.605 -12.973 1.00 0.00 C ATOM 1131 CG TYR A 72 10.293 2.470 -13.281 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.445 3.808 -13.622 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.006 1.950 -13.230 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.351 4.603 -13.903 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.906 2.736 -13.511 1.00 0.00 C ATOM 1136 CZ TYR A 72 8.083 4.062 -13.847 1.00 0.00 C ATOM 1137 OH TYR A 72 6.990 4.849 -14.126 1.00 0.00 O ATOM 0 H TYR A 72 11.749 -0.088 -11.153 1.00 0.00 H new ATOM 0 HA TYR A 72 13.120 2.371 -11.794 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.236 1.733 -13.762 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.192 0.558 -12.988 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.436 4.234 -13.668 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.863 0.913 -12.966 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.487 5.642 -14.165 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.912 2.315 -13.468 1.00 0.00 H new ATOM 0 HH TYR A 72 6.306 4.714 -13.438 1.00 0.00 H new ATOM 1147 N ILE A 73 10.312 2.382 -10.106 1.00 0.00 N ATOM 1148 CA ILE A 73 9.418 3.218 -9.314 1.00 0.00 C ATOM 1149 C ILE A 73 10.050 3.586 -7.976 1.00 0.00 C ATOM 1150 O ILE A 73 9.756 4.637 -7.409 1.00 0.00 O ATOM 1151 CB ILE A 73 8.071 2.517 -9.058 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.246 1.382 -8.046 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.493 1.987 -10.362 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.946 1.791 -6.622 1.00 0.00 C ATOM 0 H ILE A 73 10.126 1.382 -10.037 1.00 0.00 H new ATOM 0 HA ILE A 73 9.242 4.126 -9.891 1.00 0.00 H new ATOM 0 HB ILE A 73 7.373 3.244 -8.643 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.592 0.555 -8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.270 1.012 -8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.541 1.494 -10.164 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.336 2.815 -11.054 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.187 1.272 -10.803 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.091 0.937 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.617 2.597 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.914 2.134 -6.552 1.00 0.00 H new ATOM 1166 N GLU A 74 10.920 2.712 -7.479 1.00 0.00 N ATOM 1167 CA GLU A 74 11.595 2.946 -6.208 1.00 0.00 C ATOM 1168 C GLU A 74 12.771 3.903 -6.384 1.00 0.00 C ATOM 1169 O GLU A 74 13.083 4.692 -5.492 1.00 0.00 O ATOM 1170 CB GLU A 74 12.083 1.624 -5.613 1.00 0.00 C ATOM 1171 CG GLU A 74 10.971 0.776 -5.019 1.00 0.00 C ATOM 1172 CD GLU A 74 10.345 1.411 -3.792 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.093 1.986 -2.974 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.106 1.332 -3.651 1.00 0.00 O ATOM 0 H GLU A 74 11.174 1.836 -7.937 1.00 0.00 H new ATOM 0 HA GLU A 74 10.878 3.401 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.590 1.051 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.821 1.834 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.201 0.614 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.368 -0.204 -4.754 1.00 0.00 H new ATOM 1181 N LYS A 75 13.421 3.825 -7.540 1.00 0.00 N ATOM 1182 CA LYS A 75 14.563 4.682 -7.835 1.00 0.00 C ATOM 1183 C LYS A 75 14.103 6.076 -8.252 1.00 0.00 C ATOM 1184 O LYS A 75 14.738 7.075 -7.917 1.00 0.00 O ATOM 1185 CB LYS A 75 15.418 4.063 -8.943 1.00 0.00 C ATOM 1186 CG LYS A 75 14.817 4.210 -10.330 1.00 0.00 C ATOM 1187 CD LYS A 75 15.499 3.294 -11.333 1.00 0.00 C ATOM 1188 CE LYS A 75 16.858 3.835 -11.747 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.983 3.950 -13.226 1.00 0.00 N ATOM 0 H LYS A 75 13.176 3.177 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 75 15.162 4.772 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.404 4.528 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.563 3.004 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.752 3.981 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.909 5.245 -10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.618 2.302 -10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.867 3.182 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.013 4.814 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.641 3.179 -11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.840 4.491 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.048 3.000 -13.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.149 4.440 -13.608 1.00 0.00 H new ATOM 1203 N ASN A 76 12.995 6.134 -8.983 1.00 0.00 N ATOM 1204 CA ASN A 76 12.450 7.406 -9.445 1.00 0.00 C ATOM 1205 C ASN A 76 11.567 8.040 -8.375 1.00 0.00 C ATOM 1206 O ASN A 76 11.965 8.999 -7.716 1.00 0.00 O ATOM 1207 CB ASN A 76 11.646 7.203 -10.731 1.00 0.00 C ATOM 1208 CG ASN A 76 12.535 6.969 -11.937 1.00 0.00 C ATOM 1209 OD1 ASN A 76 13.755 7.115 -11.861 1.00 0.00 O ATOM 1210 ND2 ASN A 76 11.925 6.604 -13.059 1.00 0.00 N ATOM 0 H ASN A 76 12.457 5.316 -9.268 1.00 0.00 H new ATOM 0 HA ASN A 76 13.284 8.078 -9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.975 6.353 -10.607 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.021 8.078 -10.908 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.471 6.433 -13.904 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.911 6.495 -13.076 1.00 0.00 H new ATOM 1217 N ASN A 77 10.366 7.495 -8.207 1.00 0.00 N ATOM 1218 CA ASN A 77 9.426 8.008 -7.217 1.00 0.00 C ATOM 1219 C ASN A 77 9.687 7.388 -5.848 1.00 0.00 C ATOM 1220 O ASN A 77 9.038 6.418 -5.458 1.00 0.00 O ATOM 1221 CB ASN A 77 7.987 7.721 -7.653 1.00 0.00 C ATOM 1222 CG ASN A 77 7.404 8.839 -8.494 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.587 9.627 -8.019 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.822 8.913 -9.752 1.00 0.00 N ATOM 0 H ASN A 77 10.021 6.699 -8.743 1.00 0.00 H new ATOM 0 HA ASN A 77 9.568 9.086 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.961 6.791 -8.221 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.366 7.572 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.464 9.645 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.501 8.238 -10.104 1.00 0.00 H new