USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 495 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 67 THR OG1 : rot -55:sc= 0.967 USER MOD Set 1.2: A 76 ASN : amide:sc= 0.821 K(o=1.8,f=-2.1!) USER MOD Set 2.1: A 40 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 60 LYS NZ :NH3+ 163:sc= 0.565 (180deg=0.172) USER MOD Single : A 34 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 162:sc= 0.292 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 122:sc= 0.039 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.0951 (180deg=-0.721) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.59 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 63 MET CE :methyl 163:sc=-0.00932 (180deg=-0.324) USER MOD Single : A 65 MET CE :methyl -126:sc= -0.0195 (180deg=-0.432) USER MOD Single : A 69 MET CE :methyl 156:sc= -0.0927 (180deg=-0.881) USER MOD Single : A 71 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.98) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.207) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 2.220 -0.449 -2.132 1.00 0.00 N ATOM 2 CA GLY A 25 3.117 0.195 -3.133 1.00 0.00 C ATOM 3 C GLY A 25 4.565 0.083 -2.667 1.00 0.00 C ATOM 4 O GLY A 25 4.858 -0.572 -1.667 1.00 0.00 O ATOM 0 HA2 GLY A 25 2.999 -0.285 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.845 1.243 -3.260 1.00 0.00 H new ATOM 7 N PRO A 26 5.465 0.711 -3.373 1.00 0.00 N ATOM 8 CA PRO A 26 6.919 0.689 -3.033 1.00 0.00 C ATOM 9 C PRO A 26 7.222 1.471 -1.758 1.00 0.00 C ATOM 10 O PRO A 26 6.552 2.456 -1.450 1.00 0.00 O ATOM 11 CB PRO A 26 7.583 1.338 -4.251 1.00 0.00 C ATOM 12 CG PRO A 26 6.529 2.205 -4.853 1.00 0.00 C ATOM 13 CD PRO A 26 5.195 1.511 -4.578 1.00 0.00 C ATOM 0 HA PRO A 26 7.281 -0.320 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.455 1.923 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.927 0.585 -4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.547 3.202 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.691 2.327 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.395 2.232 -4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.889 0.884 -5.415 1.00 0.00 H new ATOM 21 N PHE A 27 8.233 1.023 -1.020 1.00 0.00 N ATOM 22 CA PHE A 27 8.610 1.689 0.223 1.00 0.00 C ATOM 23 C PHE A 27 10.124 1.803 0.328 1.00 0.00 C ATOM 24 O PHE A 27 10.845 0.822 0.143 1.00 0.00 O ATOM 25 CB PHE A 27 8.083 0.899 1.420 1.00 0.00 C ATOM 26 CG PHE A 27 8.426 1.632 2.695 1.00 0.00 C ATOM 27 CD1 PHE A 27 7.743 2.806 3.033 1.00 0.00 C ATOM 28 CD2 PHE A 27 9.419 1.131 3.545 1.00 0.00 C ATOM 29 CE1 PHE A 27 8.053 3.481 4.220 1.00 0.00 C ATOM 30 CE2 PHE A 27 9.730 1.805 4.732 1.00 0.00 C ATOM 31 CZ PHE A 27 9.047 2.980 5.069 1.00 0.00 C ATOM 0 H PHE A 27 8.801 0.210 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 27 8.174 2.688 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.003 0.773 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.521 -0.099 1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.976 3.192 2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.945 0.224 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.526 4.387 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 27 10.496 1.419 5.388 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.287 3.500 5.985 1.00 0.00 H new ATOM 41 N CYS A 28 10.604 3.002 0.629 1.00 0.00 N ATOM 42 CA CYS A 28 12.035 3.222 0.760 1.00 0.00 C ATOM 43 C CYS A 28 12.412 3.373 2.228 1.00 0.00 C ATOM 44 O CYS A 28 11.759 4.097 2.979 1.00 0.00 O ATOM 45 CB CYS A 28 12.445 4.474 -0.013 1.00 0.00 C ATOM 46 SG CYS A 28 12.039 4.256 -1.763 1.00 0.00 S ATOM 0 H CYS A 28 10.028 3.829 0.786 1.00 0.00 H new ATOM 0 HA CYS A 28 12.561 2.361 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.929 5.347 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 28 13.514 4.654 0.105 1.00 0.00 H new ATOM 0 HG CYS A 28 12.384 5.321 -2.424 1.00 0.00 H new ATOM 52 N GLY A 29 13.470 2.684 2.631 1.00 0.00 N ATOM 53 CA GLY A 29 13.927 2.748 4.014 1.00 0.00 C ATOM 54 C GLY A 29 15.212 1.950 4.213 1.00 0.00 C ATOM 55 O GLY A 29 16.073 1.906 3.334 1.00 0.00 O ATOM 0 H GLY A 29 14.025 2.078 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.095 3.788 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.151 2.361 4.674 1.00 0.00 H new ATOM 59 N ARG A 30 15.336 1.323 5.377 1.00 0.00 N ATOM 60 CA ARG A 30 16.524 0.534 5.683 1.00 0.00 C ATOM 61 C ARG A 30 16.152 -0.926 5.900 1.00 0.00 C ATOM 62 O ARG A 30 15.107 -1.228 6.464 1.00 0.00 O ATOM 63 CB ARG A 30 17.206 1.078 6.941 1.00 0.00 C ATOM 64 CG ARG A 30 18.713 0.818 6.858 1.00 0.00 C ATOM 65 CD ARG A 30 19.446 2.118 6.513 1.00 0.00 C ATOM 66 NE ARG A 30 18.963 2.652 5.242 1.00 0.00 N ATOM 67 CZ ARG A 30 19.244 3.898 4.851 1.00 0.00 C ATOM 68 NH1 ARG A 30 19.970 4.686 5.600 1.00 0.00 N ATOM 69 NH2 ARG A 30 18.789 4.334 3.707 1.00 0.00 N ATOM 0 H ARG A 30 14.636 1.345 6.118 1.00 0.00 H new ATOM 0 HA ARG A 30 17.210 0.604 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.015 2.147 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.792 0.599 7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.076 0.426 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.920 0.061 6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.292 2.851 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.519 1.934 6.453 1.00 0.00 H new ATOM 0 HE ARG A 30 18.396 2.058 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.329 4.351 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.178 5.635 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.222 3.724 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.000 5.284 3.403 1.00 0.00 H new ATOM 83 N ALA A 31 17.012 -1.828 5.447 1.00 0.00 N ATOM 84 CA ALA A 31 16.754 -3.252 5.605 1.00 0.00 C ATOM 85 C ALA A 31 17.815 -3.890 6.493 1.00 0.00 C ATOM 86 O ALA A 31 19.002 -3.605 6.360 1.00 0.00 O ATOM 87 CB ALA A 31 16.747 -3.935 4.238 1.00 0.00 C ATOM 0 H ALA A 31 17.886 -1.602 4.972 1.00 0.00 H new ATOM 0 HA ALA A 31 15.779 -3.378 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.553 -5.000 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.967 -3.496 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.715 -3.797 3.757 1.00 0.00 H new ATOM 93 N ARG A 32 17.380 -4.756 7.401 1.00 0.00 N ATOM 94 CA ARG A 32 18.303 -5.430 8.303 1.00 0.00 C ATOM 95 C ARG A 32 18.267 -6.934 8.052 1.00 0.00 C ATOM 96 O ARG A 32 17.196 -7.525 7.915 1.00 0.00 O ATOM 97 CB ARG A 32 17.920 -5.139 9.752 1.00 0.00 C ATOM 98 CG ARG A 32 16.535 -5.718 10.038 1.00 0.00 C ATOM 99 CD ARG A 32 16.026 -5.196 11.380 1.00 0.00 C ATOM 100 NE ARG A 32 16.904 -5.638 12.461 1.00 0.00 N ATOM 101 CZ ARG A 32 16.750 -5.205 13.714 1.00 0.00 C ATOM 102 NH1 ARG A 32 15.791 -4.369 14.019 1.00 0.00 N ATOM 103 NH2 ARG A 32 17.565 -5.620 14.647 1.00 0.00 N ATOM 0 H ARG A 32 16.400 -5.006 7.531 1.00 0.00 H new ATOM 0 HA ARG A 32 19.312 -5.061 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.655 -5.575 10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.921 -4.064 9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.843 -5.441 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.582 -6.807 10.054 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.981 -4.107 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.012 -5.554 11.556 1.00 0.00 H new ATOM 0 HE ARG A 32 17.655 -6.296 12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.151 -4.041 13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.683 -4.045 14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.315 -6.272 14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.452 -5.292 15.606 1.00 0.00 H new ATOM 117 N VAL A 33 19.441 -7.540 7.968 1.00 0.00 N ATOM 118 CA VAL A 33 19.534 -8.969 7.702 1.00 0.00 C ATOM 119 C VAL A 33 19.345 -9.785 8.974 1.00 0.00 C ATOM 120 O VAL A 33 20.022 -9.558 9.977 1.00 0.00 O ATOM 121 CB VAL A 33 20.895 -9.290 7.086 1.00 0.00 C ATOM 122 CG1 VAL A 33 21.001 -10.794 6.835 1.00 0.00 C ATOM 123 CG2 VAL A 33 21.041 -8.537 5.763 1.00 0.00 C ATOM 0 H VAL A 33 20.339 -7.069 8.079 1.00 0.00 H new ATOM 0 HA VAL A 33 18.738 -9.235 7.006 1.00 0.00 H new ATOM 0 HB VAL A 33 21.687 -8.983 7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.972 -11.022 6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.895 -11.329 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.211 -11.105 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 33 22.011 -8.764 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.250 -8.845 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.967 -7.465 5.944 1.00 0.00 H new ATOM 133 N HIS A 34 18.431 -10.749 8.919 1.00 0.00 N ATOM 134 CA HIS A 34 18.172 -11.609 10.073 1.00 0.00 C ATOM 135 C HIS A 34 18.671 -13.031 9.832 1.00 0.00 C ATOM 136 O HIS A 34 18.824 -13.807 10.777 1.00 0.00 O ATOM 137 CB HIS A 34 16.678 -11.650 10.386 1.00 0.00 C ATOM 138 CG HIS A 34 16.242 -10.324 10.941 1.00 0.00 C ATOM 139 ND1 HIS A 34 16.720 -9.843 12.149 1.00 0.00 N ATOM 140 CD2 HIS A 34 15.351 -9.383 10.488 1.00 0.00 C ATOM 141 CE1 HIS A 34 16.121 -8.661 12.381 1.00 0.00 C ATOM 142 NE2 HIS A 34 15.277 -8.334 11.400 1.00 0.00 N ATOM 0 H HIS A 34 17.862 -10.955 8.098 1.00 0.00 H new ATOM 0 HA HIS A 34 18.713 -11.186 10.920 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.113 -11.881 9.483 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.468 -12.443 11.104 1.00 0.00 H new ATOM 0 HD1 HIS A 34 17.402 -10.302 12.753 1.00 0.00 H new ATOM 0 HD2 HIS A 34 14.793 -9.447 9.566 1.00 0.00 H new ATOM 0 HE1 HIS A 34 16.301 -8.051 13.254 1.00 0.00 H new ATOM 150 N THR A 35 18.918 -13.376 8.571 1.00 0.00 N ATOM 151 CA THR A 35 19.388 -14.714 8.240 1.00 0.00 C ATOM 152 C THR A 35 20.741 -14.638 7.550 1.00 0.00 C ATOM 153 O THR A 35 21.235 -13.554 7.248 1.00 0.00 O ATOM 154 CB THR A 35 18.385 -15.407 7.316 1.00 0.00 C ATOM 155 OG1 THR A 35 18.560 -14.925 5.995 1.00 0.00 O ATOM 156 CG2 THR A 35 16.963 -15.101 7.786 1.00 0.00 C ATOM 0 H THR A 35 18.802 -12.754 7.771 1.00 0.00 H new ATOM 0 HA THR A 35 19.486 -15.287 9.162 1.00 0.00 H new ATOM 0 HB THR A 35 18.549 -16.484 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.149 -15.550 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.248 -15.595 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 35 16.830 -15.466 8.805 1.00 0.00 H new ATOM 0 HG23 THR A 35 16.795 -14.024 7.761 1.00 0.00 H new ATOM 164 N ASP A 36 21.339 -15.792 7.310 1.00 0.00 N ATOM 165 CA ASP A 36 22.643 -15.834 6.657 1.00 0.00 C ATOM 166 C ASP A 36 22.498 -16.188 5.178 1.00 0.00 C ATOM 167 O ASP A 36 22.214 -17.337 4.838 1.00 0.00 O ATOM 168 CB ASP A 36 23.537 -16.867 7.342 1.00 0.00 C ATOM 169 CG ASP A 36 24.916 -16.872 6.693 1.00 0.00 C ATOM 170 OD1 ASP A 36 25.114 -17.651 5.776 1.00 0.00 O ATOM 171 OD2 ASP A 36 25.753 -16.093 7.121 1.00 0.00 O ATOM 0 H ASP A 36 20.951 -16.704 7.553 1.00 0.00 H new ATOM 0 HA ASP A 36 23.097 -14.846 6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.626 -16.637 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.087 -17.857 7.267 1.00 0.00 H new ATOM 176 N PHE A 37 22.709 -15.202 4.302 1.00 0.00 N ATOM 177 CA PHE A 37 22.613 -15.444 2.862 1.00 0.00 C ATOM 178 C PHE A 37 23.963 -15.181 2.201 1.00 0.00 C ATOM 179 O PHE A 37 24.405 -14.036 2.098 1.00 0.00 O ATOM 180 CB PHE A 37 21.542 -14.531 2.244 1.00 0.00 C ATOM 181 CG PHE A 37 21.515 -14.715 0.740 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.770 -15.976 0.183 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.227 -13.625 -0.101 1.00 0.00 C ATOM 184 CE1 PHE A 37 21.741 -16.148 -1.207 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.200 -13.802 -1.490 1.00 0.00 C ATOM 186 CZ PHE A 37 21.457 -15.062 -2.042 1.00 0.00 C ATOM 0 H PHE A 37 22.944 -14.243 4.560 1.00 0.00 H new ATOM 0 HA PHE A 37 22.330 -16.483 2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.564 -14.765 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.754 -13.490 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 37 21.989 -16.816 0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.027 -12.652 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 37 21.938 -17.120 -1.634 1.00 0.00 H new ATOM 0 HE2 PHE A 37 20.981 -12.965 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.436 -15.196 -3.113 1.00 0.00 H new ATOM 196 N THR A 38 24.618 -16.247 1.745 1.00 0.00 N ATOM 197 CA THR A 38 25.915 -16.102 1.100 1.00 0.00 C ATOM 198 C THR A 38 25.934 -16.821 -0.258 1.00 0.00 C ATOM 199 O THR A 38 25.589 -18.001 -0.333 1.00 0.00 O ATOM 200 CB THR A 38 27.018 -16.676 1.997 1.00 0.00 C ATOM 201 OG1 THR A 38 27.064 -15.945 3.215 1.00 0.00 O ATOM 202 CG2 THR A 38 28.365 -16.560 1.280 1.00 0.00 C ATOM 0 H THR A 38 24.276 -17.206 1.810 1.00 0.00 H new ATOM 0 HA THR A 38 26.095 -15.039 0.937 1.00 0.00 H new ATOM 0 HB THR A 38 26.808 -17.724 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.767 -16.312 3.790 1.00 0.00 H new ATOM 0 HG21 THR A 38 29.152 -16.967 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 38 28.329 -17.118 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 38 28.576 -15.512 1.069 1.00 0.00 H new ATOM 210 N PRO A 39 26.333 -16.154 -1.320 1.00 0.00 N ATOM 211 CA PRO A 39 26.393 -16.769 -2.675 1.00 0.00 C ATOM 212 C PRO A 39 27.572 -17.726 -2.821 1.00 0.00 C ATOM 213 O PRO A 39 28.503 -17.707 -2.014 1.00 0.00 O ATOM 214 CB PRO A 39 26.538 -15.570 -3.608 1.00 0.00 C ATOM 215 CG PRO A 39 27.236 -14.535 -2.797 1.00 0.00 C ATOM 216 CD PRO A 39 26.770 -14.745 -1.361 1.00 0.00 C ATOM 0 HA PRO A 39 25.514 -17.376 -2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.113 -15.829 -4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 39 25.565 -15.215 -3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 39 28.318 -14.641 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 39 26.988 -13.533 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 39 27.575 -14.558 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 39 25.955 -14.068 -1.105 1.00 0.00 H new ATOM 224 N SER A 40 27.522 -18.561 -3.854 1.00 0.00 N ATOM 225 CA SER A 40 28.586 -19.524 -4.104 1.00 0.00 C ATOM 226 C SER A 40 29.855 -18.812 -4.578 1.00 0.00 C ATOM 227 O SER A 40 29.794 -17.685 -5.066 1.00 0.00 O ATOM 228 CB SER A 40 28.138 -20.528 -5.165 1.00 0.00 C ATOM 229 OG SER A 40 27.081 -21.321 -4.641 1.00 0.00 O ATOM 0 H SER A 40 26.758 -18.590 -4.529 1.00 0.00 H new ATOM 0 HA SER A 40 28.803 -20.048 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 40 27.806 -20.004 -6.061 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.974 -21.163 -5.458 1.00 0.00 H new ATOM 0 HG SER A 40 26.683 -21.853 -5.362 1.00 0.00 H new ATOM 235 N PRO A 41 30.997 -19.440 -4.439 1.00 0.00 N ATOM 236 CA PRO A 41 32.304 -18.843 -4.865 1.00 0.00 C ATOM 237 C PRO A 41 32.285 -18.400 -6.327 1.00 0.00 C ATOM 238 O PRO A 41 32.898 -17.395 -6.689 1.00 0.00 O ATOM 239 CB PRO A 41 33.303 -19.985 -4.662 1.00 0.00 C ATOM 240 CG PRO A 41 32.685 -20.848 -3.619 1.00 0.00 C ATOM 241 CD PRO A 41 31.183 -20.784 -3.866 1.00 0.00 C ATOM 0 HA PRO A 41 32.548 -17.945 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 41 33.466 -20.538 -5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.274 -19.609 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 41 33.050 -21.872 -3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 41 32.933 -20.492 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 41 30.853 -21.564 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 41 30.617 -20.911 -2.943 1.00 0.00 H new ATOM 249 N TYR A 42 31.573 -19.157 -7.158 1.00 0.00 N ATOM 250 CA TYR A 42 31.471 -18.838 -8.582 1.00 0.00 C ATOM 251 C TYR A 42 30.269 -17.929 -8.862 1.00 0.00 C ATOM 252 O TYR A 42 29.976 -17.617 -10.016 1.00 0.00 O ATOM 253 CB TYR A 42 31.335 -20.125 -9.401 1.00 0.00 C ATOM 254 CG TYR A 42 30.178 -20.941 -8.874 1.00 0.00 C ATOM 255 CD1 TYR A 42 28.874 -20.655 -9.292 1.00 0.00 C ATOM 256 CD2 TYR A 42 30.411 -21.987 -7.972 1.00 0.00 C ATOM 257 CE1 TYR A 42 27.801 -21.412 -8.806 1.00 0.00 C ATOM 258 CE2 TYR A 42 29.339 -22.745 -7.486 1.00 0.00 C ATOM 259 CZ TYR A 42 28.033 -22.457 -7.904 1.00 0.00 C ATOM 260 OH TYR A 42 26.976 -23.202 -7.423 1.00 0.00 O ATOM 0 H TYR A 42 31.060 -19.992 -6.873 1.00 0.00 H new ATOM 0 HA TYR A 42 32.380 -18.311 -8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.174 -19.884 -10.452 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.257 -20.704 -9.344 1.00 0.00 H new ATOM 0 HD1 TYR A 42 28.695 -19.850 -9.990 1.00 0.00 H new ATOM 0 HD2 TYR A 42 31.418 -22.209 -7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 42 26.794 -21.190 -9.127 1.00 0.00 H new ATOM 0 HE2 TYR A 42 29.518 -23.551 -6.790 1.00 0.00 H new ATOM 0 HH TYR A 42 27.312 -23.887 -6.808 1.00 0.00 H new ATOM 270 N ASP A 43 29.579 -17.512 -7.803 1.00 0.00 N ATOM 271 CA ASP A 43 28.415 -16.644 -7.948 1.00 0.00 C ATOM 272 C ASP A 43 28.738 -15.235 -7.455 1.00 0.00 C ATOM 273 O ASP A 43 28.928 -15.016 -6.259 1.00 0.00 O ATOM 274 CB ASP A 43 27.238 -17.213 -7.152 1.00 0.00 C ATOM 275 CG ASP A 43 25.995 -16.351 -7.355 1.00 0.00 C ATOM 276 OD1 ASP A 43 26.086 -15.367 -8.071 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.968 -16.687 -6.788 1.00 0.00 O ATOM 0 H ASP A 43 29.805 -17.760 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 43 28.146 -16.595 -9.003 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.036 -18.236 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 43 27.492 -17.253 -6.093 1.00 0.00 H new ATOM 282 N THR A 44 28.791 -14.284 -8.381 1.00 0.00 N ATOM 283 CA THR A 44 29.081 -12.900 -8.020 1.00 0.00 C ATOM 284 C THR A 44 27.862 -12.012 -8.260 1.00 0.00 C ATOM 285 O THR A 44 27.759 -10.918 -7.705 1.00 0.00 O ATOM 286 CB THR A 44 30.254 -12.383 -8.854 1.00 0.00 C ATOM 287 OG1 THR A 44 29.877 -12.342 -10.223 1.00 0.00 O ATOM 288 CG2 THR A 44 31.449 -13.322 -8.685 1.00 0.00 C ATOM 0 H THR A 44 28.639 -14.442 -9.377 1.00 0.00 H new ATOM 0 HA THR A 44 29.337 -12.868 -6.961 1.00 0.00 H new ATOM 0 HB THR A 44 30.526 -11.382 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 44 30.627 -12.009 -10.759 1.00 0.00 H new ATOM 0 HG21 THR A 44 32.286 -12.956 -9.279 1.00 0.00 H new ATOM 0 HG22 THR A 44 31.737 -13.359 -7.634 1.00 0.00 H new ATOM 0 HG23 THR A 44 31.176 -14.322 -9.021 1.00 0.00 H new ATOM 296 N ASP A 45 26.941 -12.492 -9.091 1.00 0.00 N ATOM 297 CA ASP A 45 25.735 -11.733 -9.400 1.00 0.00 C ATOM 298 C ASP A 45 24.906 -11.504 -8.141 1.00 0.00 C ATOM 299 O ASP A 45 24.333 -10.433 -7.948 1.00 0.00 O ATOM 300 CB ASP A 45 24.896 -12.493 -10.430 1.00 0.00 C ATOM 301 CG ASP A 45 25.580 -12.453 -11.792 1.00 0.00 C ATOM 302 OD1 ASP A 45 26.495 -11.661 -11.950 1.00 0.00 O ATOM 303 OD2 ASP A 45 25.180 -13.215 -12.656 1.00 0.00 O ATOM 0 H ASP A 45 27.006 -13.396 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 45 26.030 -10.766 -9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.763 -13.527 -10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.902 -12.050 -10.500 1.00 0.00 H new ATOM 308 N SER A 46 24.853 -12.519 -7.286 1.00 0.00 N ATOM 309 CA SER A 46 24.096 -12.421 -6.043 1.00 0.00 C ATOM 310 C SER A 46 24.895 -11.666 -4.983 1.00 0.00 C ATOM 311 O SER A 46 26.119 -11.784 -4.914 1.00 0.00 O ATOM 312 CB SER A 46 23.754 -13.821 -5.538 1.00 0.00 C ATOM 313 OG SER A 46 22.807 -14.419 -6.414 1.00 0.00 O ATOM 0 H SER A 46 25.322 -13.414 -7.429 1.00 0.00 H new ATOM 0 HA SER A 46 23.176 -11.870 -6.237 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.655 -14.432 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.348 -13.767 -4.528 1.00 0.00 H new ATOM 0 HG SER A 46 23.175 -15.253 -6.773 1.00 0.00 H new ATOM 319 N LEU A 47 24.198 -10.884 -4.163 1.00 0.00 N ATOM 320 CA LEU A 47 24.855 -10.109 -3.118 1.00 0.00 C ATOM 321 C LEU A 47 25.120 -10.975 -1.889 1.00 0.00 C ATOM 322 O LEU A 47 24.310 -11.832 -1.534 1.00 0.00 O ATOM 323 CB LEU A 47 23.985 -8.914 -2.727 1.00 0.00 C ATOM 324 CG LEU A 47 24.723 -8.044 -1.706 1.00 0.00 C ATOM 325 CD1 LEU A 47 25.973 -7.431 -2.349 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.792 -6.928 -1.234 1.00 0.00 C ATOM 0 H LEU A 47 23.185 -10.771 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 47 25.809 -9.751 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.742 -8.325 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.041 -9.262 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 47 25.025 -8.658 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.493 -6.813 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.636 -8.227 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.680 -6.816 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.311 -6.304 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.493 -6.318 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.906 -7.364 -0.772 1.00 0.00 H new ATOM 338 N LYS A 48 26.249 -10.729 -1.233 1.00 0.00 N ATOM 339 CA LYS A 48 26.604 -11.478 -0.026 1.00 0.00 C ATOM 340 C LYS A 48 26.240 -10.684 1.226 1.00 0.00 C ATOM 341 O LYS A 48 26.749 -9.585 1.442 1.00 0.00 O ATOM 342 CB LYS A 48 28.102 -11.807 -0.019 1.00 0.00 C ATOM 343 CG LYS A 48 28.914 -10.586 -0.462 1.00 0.00 C ATOM 344 CD LYS A 48 30.400 -10.835 -0.200 1.00 0.00 C ATOM 345 CE LYS A 48 30.934 -11.871 -1.192 1.00 0.00 C ATOM 346 NZ LYS A 48 30.871 -11.313 -2.572 1.00 0.00 N ATOM 0 H LYS A 48 26.931 -10.023 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 48 26.039 -12.410 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.410 -12.114 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.301 -12.646 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.749 -10.392 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.582 -9.700 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.957 -9.903 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.545 -11.187 0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.961 -12.135 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.346 -12.786 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.580 -11.784 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.923 -11.473 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.066 -10.292 -2.543 1.00 0.00 H new ATOM 360 N ILE A 49 25.349 -11.240 2.043 1.00 0.00 N ATOM 361 CA ILE A 49 24.930 -10.559 3.263 1.00 0.00 C ATOM 362 C ILE A 49 24.786 -11.549 4.419 1.00 0.00 C ATOM 363 O ILE A 49 24.612 -12.752 4.211 1.00 0.00 O ATOM 364 CB ILE A 49 23.602 -9.845 3.008 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.479 -10.874 2.831 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.719 -9.010 1.732 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.157 -10.144 2.575 1.00 0.00 C ATOM 0 H ILE A 49 24.909 -12.147 1.886 1.00 0.00 H new ATOM 0 HA ILE A 49 25.691 -9.830 3.541 1.00 0.00 H new ATOM 0 HB ILE A 49 23.371 -9.203 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.708 -11.539 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.397 -11.496 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.775 -8.498 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.514 -8.274 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.952 -9.662 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.357 -10.874 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.928 -9.498 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.244 -9.541 1.671 1.00 0.00 H new ATOM 379 N LYS A 50 24.851 -11.039 5.642 1.00 0.00 N ATOM 380 CA LYS A 50 24.726 -11.891 6.819 1.00 0.00 C ATOM 381 C LYS A 50 23.965 -11.172 7.925 1.00 0.00 C ATOM 382 O LYS A 50 23.786 -9.954 7.884 1.00 0.00 O ATOM 383 CB LYS A 50 26.113 -12.290 7.325 1.00 0.00 C ATOM 384 CG LYS A 50 26.988 -11.043 7.460 1.00 0.00 C ATOM 385 CD LYS A 50 28.067 -11.055 6.378 1.00 0.00 C ATOM 386 CE LYS A 50 29.218 -10.138 6.794 1.00 0.00 C ATOM 387 NZ LYS A 50 29.780 -9.469 5.588 1.00 0.00 N ATOM 0 H LYS A 50 24.988 -10.049 5.845 1.00 0.00 H new ATOM 0 HA LYS A 50 24.171 -12.786 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.029 -12.794 8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.574 -12.997 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.376 -10.145 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.449 -11.015 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.434 -12.070 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.648 -10.722 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.864 -9.392 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.993 -10.715 7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.563 -8.845 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.132 -10.188 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.038 -8.906 5.126 1.00 0.00 H new ATOM 401 N LYS A 51 23.510 -11.936 8.911 1.00 0.00 N ATOM 402 CA LYS A 51 22.762 -11.362 10.020 1.00 0.00 C ATOM 403 C LYS A 51 23.605 -10.337 10.773 1.00 0.00 C ATOM 404 O LYS A 51 24.741 -10.612 11.162 1.00 0.00 O ATOM 405 CB LYS A 51 22.329 -12.469 10.984 1.00 0.00 C ATOM 406 CG LYS A 51 21.529 -11.859 12.137 1.00 0.00 C ATOM 407 CD LYS A 51 21.095 -12.967 13.099 1.00 0.00 C ATOM 408 CE LYS A 51 20.314 -12.352 14.262 1.00 0.00 C ATOM 409 NZ LYS A 51 19.894 -13.429 15.202 1.00 0.00 N ATOM 0 H LYS A 51 23.645 -12.946 8.965 1.00 0.00 H new ATOM 0 HA LYS A 51 21.883 -10.862 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.724 -13.207 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.204 -12.991 11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.135 -11.122 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.655 -11.335 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.476 -13.696 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.968 -13.501 13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.932 -11.621 14.783 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.439 -11.821 13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.363 -13.012 15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.290 -14.111 14.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.736 -13.917 15.569 1.00 0.00 H new ATOM 423 N GLY A 52 23.035 -9.153 10.972 1.00 0.00 N ATOM 424 CA GLY A 52 23.729 -8.081 11.677 1.00 0.00 C ATOM 425 C GLY A 52 24.113 -6.949 10.728 1.00 0.00 C ATOM 426 O GLY A 52 24.343 -5.820 11.162 1.00 0.00 O ATOM 0 H GLY A 52 22.096 -8.912 10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 52 23.091 -7.692 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 52 24.625 -8.478 12.154 1.00 0.00 H new ATOM 430 N ASP A 53 24.166 -7.248 9.434 1.00 0.00 N ATOM 431 CA ASP A 53 24.508 -6.232 8.444 1.00 0.00 C ATOM 432 C ASP A 53 23.265 -5.444 8.035 1.00 0.00 C ATOM 433 O ASP A 53 22.157 -5.980 8.001 1.00 0.00 O ATOM 434 CB ASP A 53 25.142 -6.879 7.210 1.00 0.00 C ATOM 435 CG ASP A 53 26.553 -7.353 7.536 1.00 0.00 C ATOM 436 OD1 ASP A 53 27.054 -6.983 8.585 1.00 0.00 O ATOM 437 OD2 ASP A 53 27.116 -8.074 6.728 1.00 0.00 O ATOM 0 H ASP A 53 23.979 -8.174 9.049 1.00 0.00 H new ATOM 0 HA ASP A 53 25.228 -5.547 8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 53 24.534 -7.721 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 53 25.171 -6.163 6.388 1.00 0.00 H new ATOM 442 N ILE A 54 23.457 -4.166 7.722 1.00 0.00 N ATOM 443 CA ILE A 54 22.346 -3.313 7.315 1.00 0.00 C ATOM 444 C ILE A 54 22.489 -2.921 5.846 1.00 0.00 C ATOM 445 O ILE A 54 23.546 -2.465 5.413 1.00 0.00 O ATOM 446 CB ILE A 54 22.302 -2.052 8.186 1.00 0.00 C ATOM 447 CG1 ILE A 54 22.136 -2.431 9.668 1.00 0.00 C ATOM 448 CG2 ILE A 54 21.125 -1.174 7.749 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.714 -2.943 9.939 1.00 0.00 C ATOM 0 H ILE A 54 24.365 -3.701 7.742 1.00 0.00 H new ATOM 0 HA ILE A 54 21.417 -3.869 7.444 1.00 0.00 H new ATOM 0 HB ILE A 54 23.237 -1.505 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.862 -3.199 9.936 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.342 -1.564 10.296 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.091 -0.277 8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.251 -0.891 6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.194 -1.729 7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.617 -3.206 10.992 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.993 -2.164 9.691 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.521 -3.823 9.326 1.00 0.00 H new ATOM 461 N ILE A 55 21.416 -3.121 5.088 1.00 0.00 N ATOM 462 CA ILE A 55 21.416 -2.808 3.665 1.00 0.00 C ATOM 463 C ILE A 55 20.482 -1.643 3.369 1.00 0.00 C ATOM 464 O ILE A 55 19.313 -1.657 3.755 1.00 0.00 O ATOM 465 CB ILE A 55 20.950 -4.031 2.872 1.00 0.00 C ATOM 466 CG1 ILE A 55 21.905 -5.197 3.128 1.00 0.00 C ATOM 467 CG2 ILE A 55 20.944 -3.695 1.378 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.275 -6.508 2.652 1.00 0.00 C ATOM 0 H ILE A 55 20.535 -3.499 5.436 1.00 0.00 H new ATOM 0 HA ILE A 55 22.430 -2.533 3.373 1.00 0.00 H new ATOM 0 HB ILE A 55 19.944 -4.309 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.847 -5.027 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.136 -5.261 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.612 -4.565 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.265 -2.862 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.950 -3.419 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.964 -7.332 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 55 20.345 -6.682 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.067 -6.445 1.584 1.00 0.00 H new ATOM 480 N ASP A 56 21.000 -0.638 2.678 1.00 0.00 N ATOM 481 CA ASP A 56 20.194 0.522 2.332 1.00 0.00 C ATOM 482 C ASP A 56 19.299 0.195 1.142 1.00 0.00 C ATOM 483 O ASP A 56 19.785 -0.245 0.101 1.00 0.00 O ATOM 484 CB ASP A 56 21.106 1.699 1.984 1.00 0.00 C ATOM 485 CG ASP A 56 22.000 2.029 3.175 1.00 0.00 C ATOM 486 OD1 ASP A 56 21.483 2.099 4.278 1.00 0.00 O ATOM 487 OD2 ASP A 56 23.189 2.207 2.966 1.00 0.00 O ATOM 0 H ASP A 56 21.965 -0.602 2.349 1.00 0.00 H new ATOM 0 HA ASP A 56 19.570 0.790 3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.717 1.453 1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.506 2.569 1.716 1.00 0.00 H new ATOM 492 N ILE A 57 17.993 0.394 1.305 1.00 0.00 N ATOM 493 CA ILE A 57 17.050 0.096 0.234 1.00 0.00 C ATOM 494 C ILE A 57 17.197 1.101 -0.900 1.00 0.00 C ATOM 495 O ILE A 57 17.074 2.309 -0.694 1.00 0.00 O ATOM 496 CB ILE A 57 15.615 0.137 0.774 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.450 -0.925 1.863 1.00 0.00 C ATOM 498 CG2 ILE A 57 14.625 -0.143 -0.359 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.096 -0.746 2.553 1.00 0.00 C ATOM 0 H ILE A 57 17.569 0.756 2.159 1.00 0.00 H new ATOM 0 HA ILE A 57 17.265 -0.902 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 57 15.417 1.125 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.518 -1.922 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.255 -0.841 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.608 -0.113 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.738 0.613 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.823 -1.129 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 57 13.980 -1.503 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.045 0.245 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.297 -0.852 1.819 1.00 0.00 H new ATOM 511 N ILE A 58 17.457 0.591 -2.099 1.00 0.00 N ATOM 512 CA ILE A 58 17.616 1.449 -3.264 1.00 0.00 C ATOM 513 C ILE A 58 16.396 1.346 -4.170 1.00 0.00 C ATOM 514 O ILE A 58 15.811 2.359 -4.556 1.00 0.00 O ATOM 515 CB ILE A 58 18.871 1.049 -4.043 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.111 1.316 -3.187 1.00 0.00 C ATOM 517 CG2 ILE A 58 18.955 1.870 -5.331 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.334 0.682 -3.851 1.00 0.00 C ATOM 0 H ILE A 58 17.561 -0.406 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 58 17.717 2.479 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 58 18.822 -0.012 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.262 2.389 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.972 0.904 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.849 1.585 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.072 1.680 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.004 2.931 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.218 0.872 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.181 -0.393 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.476 1.115 -4.841 1.00 0.00 H new ATOM 530 N CYS A 59 16.017 0.120 -4.511 1.00 0.00 N ATOM 531 CA CYS A 59 14.865 -0.088 -5.380 1.00 0.00 C ATOM 532 C CYS A 59 14.452 -1.556 -5.397 1.00 0.00 C ATOM 533 O CYS A 59 15.263 -2.444 -5.153 1.00 0.00 O ATOM 534 CB CYS A 59 15.191 0.370 -6.804 1.00 0.00 C ATOM 535 SG CYS A 59 13.698 0.279 -7.824 1.00 0.00 S ATOM 0 H CYS A 59 16.483 -0.734 -4.204 1.00 0.00 H new ATOM 0 HA CYS A 59 14.036 0.502 -4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.573 1.391 -6.791 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.974 -0.258 -7.229 1.00 0.00 H new ATOM 0 HG CYS A 59 13.974 0.670 -9.033 1.00 0.00 H new ATOM 541 N LYS A 60 13.185 -1.809 -5.693 1.00 0.00 N ATOM 542 CA LYS A 60 12.695 -3.183 -5.751 1.00 0.00 C ATOM 543 C LYS A 60 12.853 -3.736 -7.163 1.00 0.00 C ATOM 544 O LYS A 60 12.561 -3.047 -8.142 1.00 0.00 O ATOM 545 CB LYS A 60 11.228 -3.244 -5.329 1.00 0.00 C ATOM 546 CG LYS A 60 11.107 -2.833 -3.862 1.00 0.00 C ATOM 547 CD LYS A 60 10.762 -1.347 -3.771 1.00 0.00 C ATOM 548 CE LYS A 60 11.339 -0.772 -2.479 1.00 0.00 C ATOM 549 NZ LYS A 60 11.243 0.715 -2.512 1.00 0.00 N ATOM 0 H LYS A 60 12.485 -1.095 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 60 13.283 -3.790 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.630 -2.582 -5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.839 -4.252 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.336 -3.426 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.043 -3.032 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.167 -0.815 -4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.681 -1.211 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.795 -1.163 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.379 -1.078 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.358 1.092 -1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.990 1.098 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.313 0.995 -2.884 1.00 0.00 H new ATOM 563 N THR A 61 13.329 -4.977 -7.263 1.00 0.00 N ATOM 564 CA THR A 61 13.535 -5.601 -8.566 1.00 0.00 C ATOM 565 C THR A 61 12.759 -6.920 -8.669 1.00 0.00 C ATOM 566 O THR A 61 12.579 -7.612 -7.663 1.00 0.00 O ATOM 567 CB THR A 61 15.032 -5.861 -8.798 1.00 0.00 C ATOM 568 OG1 THR A 61 15.204 -6.606 -9.994 1.00 0.00 O ATOM 569 CG2 THR A 61 15.631 -6.639 -7.624 1.00 0.00 C ATOM 0 H THR A 61 13.576 -5.563 -6.466 1.00 0.00 H new ATOM 0 HA THR A 61 13.164 -4.919 -9.331 1.00 0.00 H new ATOM 0 HB THR A 61 15.544 -4.902 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 61 16.159 -6.770 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.691 -6.814 -7.806 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.511 -6.063 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.118 -7.595 -7.522 1.00 0.00 H new ATOM 577 N PRO A 62 12.295 -7.281 -9.852 1.00 0.00 N ATOM 578 CA PRO A 62 11.532 -8.547 -10.060 1.00 0.00 C ATOM 579 C PRO A 62 12.274 -9.763 -9.509 1.00 0.00 C ATOM 580 O PRO A 62 13.265 -9.630 -8.795 1.00 0.00 O ATOM 581 CB PRO A 62 11.387 -8.655 -11.579 1.00 0.00 C ATOM 582 CG PRO A 62 11.525 -7.263 -12.093 1.00 0.00 C ATOM 583 CD PRO A 62 12.437 -6.527 -11.115 1.00 0.00 C ATOM 0 HA PRO A 62 10.576 -8.527 -9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 62 12.152 -9.307 -12.001 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.421 -9.080 -11.852 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.950 -7.261 -13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.552 -6.775 -12.158 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.470 -6.521 -11.461 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.135 -5.487 -10.994 1.00 0.00 H new ATOM 591 N MET A 63 11.772 -10.947 -9.838 1.00 0.00 N ATOM 592 CA MET A 63 12.374 -12.189 -9.364 1.00 0.00 C ATOM 593 C MET A 63 12.283 -12.277 -7.844 1.00 0.00 C ATOM 594 O MET A 63 12.966 -13.089 -7.220 1.00 0.00 O ATOM 595 CB MET A 63 13.846 -12.275 -9.795 1.00 0.00 C ATOM 596 CG MET A 63 13.937 -12.222 -11.324 1.00 0.00 C ATOM 597 SD MET A 63 15.677 -12.185 -11.836 1.00 0.00 S ATOM 598 CE MET A 63 16.081 -13.919 -11.508 1.00 0.00 C ATOM 0 H MET A 63 10.951 -11.074 -10.430 1.00 0.00 H new ATOM 0 HA MET A 63 11.826 -13.021 -9.805 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.412 -11.452 -9.358 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.290 -13.199 -9.426 1.00 0.00 H new ATOM 0 HG2 MET A 63 13.439 -13.090 -11.757 1.00 0.00 H new ATOM 0 HG3 MET A 63 13.420 -11.338 -11.698 1.00 0.00 H new ATOM 0 HE1 MET A 63 17.002 -14.183 -12.028 1.00 0.00 H new ATOM 0 HE2 MET A 63 16.215 -14.065 -10.436 1.00 0.00 H new ATOM 0 HE3 MET A 63 15.269 -14.555 -11.862 1.00 0.00 H new ATOM 608 N GLY A 64 11.429 -11.444 -7.250 1.00 0.00 N ATOM 609 CA GLY A 64 11.260 -11.457 -5.807 1.00 0.00 C ATOM 610 C GLY A 64 12.546 -11.057 -5.099 1.00 0.00 C ATOM 611 O GLY A 64 12.879 -11.616 -4.054 1.00 0.00 O ATOM 0 H GLY A 64 10.853 -10.762 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.459 -10.773 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.958 -12.453 -5.483 1.00 0.00 H new ATOM 615 N MET A 65 13.278 -10.103 -5.669 1.00 0.00 N ATOM 616 CA MET A 65 14.532 -9.673 -5.062 1.00 0.00 C ATOM 617 C MET A 65 14.560 -8.162 -4.854 1.00 0.00 C ATOM 618 O MET A 65 13.928 -7.410 -5.588 1.00 0.00 O ATOM 619 CB MET A 65 15.711 -10.081 -5.947 1.00 0.00 C ATOM 620 CG MET A 65 15.720 -11.598 -6.133 1.00 0.00 C ATOM 621 SD MET A 65 17.260 -12.106 -6.942 1.00 0.00 S ATOM 622 CE MET A 65 18.331 -12.024 -5.479 1.00 0.00 C ATOM 0 H MET A 65 13.030 -9.622 -6.533 1.00 0.00 H new ATOM 0 HA MET A 65 14.612 -10.159 -4.090 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.638 -9.587 -6.916 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.647 -9.756 -5.494 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.625 -12.093 -5.166 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.864 -11.905 -6.734 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.189 -11.387 -5.692 1.00 0.00 H new ATOM 0 HE2 MET A 65 17.771 -11.610 -4.641 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.677 -13.026 -5.225 1.00 0.00 H new ATOM 632 N TRP A 66 15.289 -7.728 -3.836 1.00 0.00 N ATOM 633 CA TRP A 66 15.404 -6.306 -3.536 1.00 0.00 C ATOM 634 C TRP A 66 16.815 -5.807 -3.831 1.00 0.00 C ATOM 635 O TRP A 66 17.789 -6.545 -3.684 1.00 0.00 O ATOM 636 CB TRP A 66 15.063 -6.038 -2.071 1.00 0.00 C ATOM 637 CG TRP A 66 13.585 -5.895 -1.917 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.654 -6.477 -2.707 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.857 -5.113 -0.932 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.398 -6.100 -2.267 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.470 -5.259 -1.171 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.265 -4.297 0.136 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.521 -4.616 -0.371 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.315 -3.651 0.940 1.00 0.00 C ATOM 645 CH2 TRP A 66 10.946 -3.809 0.686 1.00 0.00 C ATOM 0 H TRP A 66 15.809 -8.337 -3.205 1.00 0.00 H new ATOM 0 HA TRP A 66 14.698 -5.770 -4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.426 -6.855 -1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.563 -5.131 -1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.858 -7.129 -3.544 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.525 -6.405 -2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.318 -4.166 0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.467 -4.743 -0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.640 -3.028 1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.220 -3.307 1.308 1.00 0.00 H new ATOM 656 N THR A 67 16.917 -4.545 -4.243 1.00 0.00 N ATOM 657 CA THR A 67 18.210 -3.946 -4.552 1.00 0.00 C ATOM 658 C THR A 67 18.611 -2.999 -3.431 1.00 0.00 C ATOM 659 O THR A 67 17.812 -2.160 -3.001 1.00 0.00 O ATOM 660 CB THR A 67 18.142 -3.178 -5.875 1.00 0.00 C ATOM 661 OG1 THR A 67 17.751 -4.065 -6.913 1.00 0.00 O ATOM 662 CG2 THR A 67 19.519 -2.595 -6.196 1.00 0.00 C ATOM 0 H THR A 67 16.121 -3.920 -4.370 1.00 0.00 H new ATOM 0 HA THR A 67 18.952 -4.739 -4.646 1.00 0.00 H new ATOM 0 HB THR A 67 17.416 -2.370 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.363 -4.830 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.472 -2.048 -7.138 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.822 -1.918 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.245 -3.403 -6.282 1.00 0.00 H new ATOM 670 N GLY A 68 19.845 -3.139 -2.959 1.00 0.00 N ATOM 671 CA GLY A 68 20.339 -2.296 -1.877 1.00 0.00 C ATOM 672 C GLY A 68 21.858 -2.207 -1.901 1.00 0.00 C ATOM 673 O GLY A 68 22.509 -2.740 -2.802 1.00 0.00 O ATOM 0 H GLY A 68 20.517 -3.823 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.912 -1.297 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.010 -2.699 -0.919 1.00 0.00 H new ATOM 677 N MET A 69 22.418 -1.521 -0.912 1.00 0.00 N ATOM 678 CA MET A 69 23.863 -1.356 -0.830 1.00 0.00 C ATOM 679 C MET A 69 24.392 -1.893 0.498 1.00 0.00 C ATOM 680 O MET A 69 23.785 -1.684 1.548 1.00 0.00 O ATOM 681 CB MET A 69 24.226 0.123 -0.964 1.00 0.00 C ATOM 682 CG MET A 69 25.746 0.284 -0.902 1.00 0.00 C ATOM 683 SD MET A 69 26.180 2.014 -1.210 1.00 0.00 S ATOM 684 CE MET A 69 25.543 2.687 0.342 1.00 0.00 C ATOM 0 H MET A 69 21.896 -1.072 -0.159 1.00 0.00 H new ATOM 0 HA MET A 69 24.320 -1.919 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.846 0.517 -1.906 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.756 0.697 -0.166 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.116 -0.027 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.221 -0.359 -1.643 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.056 3.621 0.571 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.474 2.874 0.246 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.715 1.972 1.146 1.00 0.00 H new ATOM 694 N LEU A 70 25.521 -2.586 0.436 1.00 0.00 N ATOM 695 CA LEU A 70 26.132 -3.152 1.629 1.00 0.00 C ATOM 696 C LEU A 70 27.654 -3.089 1.522 1.00 0.00 C ATOM 697 O LEU A 70 28.241 -3.637 0.589 1.00 0.00 O ATOM 698 CB LEU A 70 25.688 -4.608 1.790 1.00 0.00 C ATOM 699 CG LEU A 70 25.320 -4.870 3.253 1.00 0.00 C ATOM 700 CD1 LEU A 70 24.937 -6.344 3.424 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.511 -4.543 4.152 1.00 0.00 C ATOM 0 H LEU A 70 26.031 -2.769 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 70 25.815 -2.575 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.832 -4.812 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.488 -5.280 1.479 1.00 0.00 H new ATOM 0 HG LEU A 70 24.477 -4.239 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.675 -6.533 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.083 -6.574 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 70 25.781 -6.974 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.244 -4.731 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.358 -5.170 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.781 -3.494 4.031 1.00 0.00 H new ATOM 713 N ASN A 71 28.290 -2.418 2.478 1.00 0.00 N ATOM 714 CA ASN A 71 29.746 -2.294 2.475 1.00 0.00 C ATOM 715 C ASN A 71 30.225 -1.751 1.134 1.00 0.00 C ATOM 716 O ASN A 71 31.139 -2.310 0.529 1.00 0.00 O ATOM 717 CB ASN A 71 30.392 -3.659 2.698 1.00 0.00 C ATOM 718 CG ASN A 71 29.907 -4.270 4.002 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.715 -3.565 4.994 1.00 0.00 O ATOM 720 ND2 ASN A 71 29.698 -5.555 4.054 1.00 0.00 N ATOM 0 H ASN A 71 27.826 -1.955 3.259 1.00 0.00 H new ATOM 0 HA ASN A 71 30.030 -1.612 3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 71 30.151 -4.322 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 71 31.477 -3.556 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 71 29.373 -5.984 4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.859 -6.132 3.228 1.00 0.00 H new ATOM 727 N ASN A 72 29.600 -0.677 0.661 1.00 0.00 N ATOM 728 CA ASN A 72 29.975 -0.086 -0.617 1.00 0.00 C ATOM 729 C ASN A 72 29.806 -1.102 -1.741 1.00 0.00 C ATOM 730 O ASN A 72 30.518 -1.054 -2.744 1.00 0.00 O ATOM 731 CB ASN A 72 31.427 0.396 -0.578 1.00 0.00 C ATOM 732 CG ASN A 72 31.604 1.430 0.527 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.762 2.314 0.694 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.655 1.374 1.297 1.00 0.00 N ATOM 0 H ASN A 72 28.836 -0.201 1.141 1.00 0.00 H new ATOM 0 HA ASN A 72 29.321 0.766 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.095 -0.449 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 72 31.701 0.829 -1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.781 2.063 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.351 0.642 1.157 1.00 0.00 H new ATOM 741 N LYS A 73 28.857 -2.017 -1.569 1.00 0.00 N ATOM 742 CA LYS A 73 28.604 -3.035 -2.581 1.00 0.00 C ATOM 743 C LYS A 73 27.112 -3.095 -2.895 1.00 0.00 C ATOM 744 O LYS A 73 26.307 -3.455 -2.041 1.00 0.00 O ATOM 745 CB LYS A 73 29.076 -4.403 -2.074 1.00 0.00 C ATOM 746 CG LYS A 73 29.231 -5.367 -3.254 1.00 0.00 C ATOM 747 CD LYS A 73 30.499 -5.020 -4.043 1.00 0.00 C ATOM 748 CE LYS A 73 30.763 -6.103 -5.090 1.00 0.00 C ATOM 749 NZ LYS A 73 32.037 -5.805 -5.805 1.00 0.00 N ATOM 0 H LYS A 73 28.256 -2.074 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 73 29.153 -2.777 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.026 -4.299 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.359 -4.803 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 73 29.286 -6.394 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.358 -5.304 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.384 -4.051 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 73 31.350 -4.939 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 73 30.823 -7.080 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 73 29.937 -6.146 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 32.216 -6.542 -6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 31.963 -4.880 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 32.822 -5.785 -5.123 1.00 0.00 H new ATOM 763 N VAL A 74 26.744 -2.747 -4.122 1.00 0.00 N ATOM 764 CA VAL A 74 25.339 -2.771 -4.518 1.00 0.00 C ATOM 765 C VAL A 74 25.007 -4.073 -5.236 1.00 0.00 C ATOM 766 O VAL A 74 25.668 -4.442 -6.206 1.00 0.00 O ATOM 767 CB VAL A 74 25.030 -1.585 -5.436 1.00 0.00 C ATOM 768 CG1 VAL A 74 23.574 -1.660 -5.902 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.248 -0.278 -4.668 1.00 0.00 C ATOM 0 H VAL A 74 27.389 -2.448 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 74 24.728 -2.699 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 74 25.690 -1.617 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 74 23.357 -0.815 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.414 -2.590 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 74 22.913 -1.629 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.029 0.568 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.587 -0.250 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.284 -0.220 -4.335 1.00 0.00 H new ATOM 779 N GLY A 75 23.986 -4.771 -4.747 1.00 0.00 N ATOM 780 CA GLY A 75 23.588 -6.037 -5.349 1.00 0.00 C ATOM 781 C GLY A 75 22.155 -6.400 -4.964 1.00 0.00 C ATOM 782 O GLY A 75 21.485 -5.657 -4.244 1.00 0.00 O ATOM 0 H GLY A 75 23.425 -4.485 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.671 -5.970 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.266 -6.827 -5.026 1.00 0.00 H new ATOM 786 N ASN A 76 21.692 -7.546 -5.458 1.00 0.00 N ATOM 787 CA ASN A 76 20.339 -7.999 -5.169 1.00 0.00 C ATOM 788 C ASN A 76 20.338 -9.029 -4.043 1.00 0.00 C ATOM 789 O ASN A 76 21.299 -9.781 -3.869 1.00 0.00 O ATOM 790 CB ASN A 76 19.715 -8.617 -6.423 1.00 0.00 C ATOM 791 CG ASN A 76 19.461 -7.537 -7.468 1.00 0.00 C ATOM 792 OD1 ASN A 76 19.410 -6.354 -7.137 1.00 0.00 O ATOM 793 ND2 ASN A 76 19.291 -7.877 -8.717 1.00 0.00 N ATOM 0 H ASN A 76 22.231 -8.172 -6.056 1.00 0.00 H new ATOM 0 HA ASN A 76 19.753 -7.136 -4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.378 -9.380 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.779 -9.113 -6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.115 -7.160 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 76 19.334 -8.859 -8.989 1.00 0.00 H new ATOM 800 N PHE A 77 19.249 -9.057 -3.283 1.00 0.00 N ATOM 801 CA PHE A 77 19.117 -9.998 -2.176 1.00 0.00 C ATOM 802 C PHE A 77 17.650 -10.324 -1.918 1.00 0.00 C ATOM 803 O PHE A 77 16.761 -9.571 -2.308 1.00 0.00 O ATOM 804 CB PHE A 77 19.749 -9.406 -0.914 1.00 0.00 C ATOM 805 CG PHE A 77 19.102 -8.079 -0.606 1.00 0.00 C ATOM 806 CD1 PHE A 77 17.945 -8.026 0.175 1.00 0.00 C ATOM 807 CD2 PHE A 77 19.666 -6.899 -1.106 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.350 -6.790 0.459 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.072 -5.664 -0.823 1.00 0.00 C ATOM 810 CZ PHE A 77 17.914 -5.609 -0.040 1.00 0.00 C ATOM 0 H PHE A 77 18.447 -8.441 -3.412 1.00 0.00 H new ATOM 0 HA PHE A 77 19.634 -10.920 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 77 19.621 -10.089 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 77 20.822 -9.276 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.510 -8.937 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 77 20.560 -6.942 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.456 -6.748 1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.507 -4.754 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.455 -4.656 0.180 1.00 0.00 H new ATOM 820 N LYS A 78 17.403 -11.451 -1.259 1.00 0.00 N ATOM 821 CA LYS A 78 16.036 -11.864 -0.960 1.00 0.00 C ATOM 822 C LYS A 78 15.486 -11.093 0.235 1.00 0.00 C ATOM 823 O LYS A 78 15.989 -11.215 1.350 1.00 0.00 O ATOM 824 CB LYS A 78 15.997 -13.363 -0.657 1.00 0.00 C ATOM 825 CG LYS A 78 15.142 -14.079 -1.704 1.00 0.00 C ATOM 826 CD LYS A 78 15.949 -14.258 -2.989 1.00 0.00 C ATOM 827 CE LYS A 78 15.395 -15.442 -3.782 1.00 0.00 C ATOM 828 NZ LYS A 78 13.946 -15.223 -4.058 1.00 0.00 N ATOM 0 H LYS A 78 18.124 -12.090 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 78 15.418 -11.649 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.008 -13.770 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.587 -13.532 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.822 -15.050 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.239 -13.503 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.901 -13.350 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.999 -14.427 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.941 -15.553 -4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.533 -16.366 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.638 -15.858 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.395 -15.422 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.793 -14.236 -4.346 1.00 0.00 H new ATOM 842 N PHE A 79 14.446 -10.303 -0.005 1.00 0.00 N ATOM 843 CA PHE A 79 13.834 -9.520 1.065 1.00 0.00 C ATOM 844 C PHE A 79 13.280 -10.436 2.152 1.00 0.00 C ATOM 845 O PHE A 79 13.156 -10.034 3.307 1.00 0.00 O ATOM 846 CB PHE A 79 12.711 -8.645 0.507 1.00 0.00 C ATOM 847 CG PHE A 79 11.743 -9.505 -0.267 1.00 0.00 C ATOM 848 CD1 PHE A 79 10.734 -10.209 0.401 1.00 0.00 C ATOM 849 CD2 PHE A 79 11.853 -9.593 -1.658 1.00 0.00 C ATOM 850 CE1 PHE A 79 9.838 -11.004 -0.325 1.00 0.00 C ATOM 851 CE2 PHE A 79 10.960 -10.385 -2.383 1.00 0.00 C ATOM 852 CZ PHE A 79 9.951 -11.092 -1.717 1.00 0.00 C ATOM 0 H PHE A 79 14.012 -10.187 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 79 14.602 -8.881 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.193 -8.137 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.125 -7.872 -0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.647 -10.139 1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 79 12.630 -9.047 -2.173 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.060 -11.549 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.047 -10.452 -3.457 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.261 -11.705 -2.277 1.00 0.00 H new ATOM 862 N ILE A 80 12.955 -11.672 1.783 1.00 0.00 N ATOM 863 CA ILE A 80 12.424 -12.630 2.747 1.00 0.00 C ATOM 864 C ILE A 80 13.449 -12.918 3.849 1.00 0.00 C ATOM 865 O ILE A 80 13.094 -13.372 4.936 1.00 0.00 O ATOM 866 CB ILE A 80 12.050 -13.930 2.030 1.00 0.00 C ATOM 867 CG1 ILE A 80 13.281 -14.476 1.303 1.00 0.00 C ATOM 868 CG2 ILE A 80 10.937 -13.654 1.018 1.00 0.00 C ATOM 869 CD1 ILE A 80 12.997 -15.893 0.802 1.00 0.00 C ATOM 0 H ILE A 80 13.049 -12.031 0.833 1.00 0.00 H new ATOM 0 HA ILE A 80 11.535 -12.201 3.209 1.00 0.00 H new ATOM 0 HB ILE A 80 11.701 -14.662 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 80 13.538 -13.828 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.139 -14.483 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.671 -14.580 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.062 -13.262 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.283 -12.923 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.875 -16.279 0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.762 -16.538 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.151 -15.873 0.115 1.00 0.00 H new ATOM 881 N TYR A 81 14.719 -12.630 3.563 1.00 0.00 N ATOM 882 CA TYR A 81 15.792 -12.836 4.532 1.00 0.00 C ATOM 883 C TYR A 81 16.173 -11.515 5.212 1.00 0.00 C ATOM 884 O TYR A 81 17.109 -11.466 6.014 1.00 0.00 O ATOM 885 CB TYR A 81 17.015 -13.417 3.820 1.00 0.00 C ATOM 886 CG TYR A 81 16.725 -14.843 3.405 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.742 -15.194 2.051 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.428 -15.807 4.373 1.00 0.00 C ATOM 889 CE1 TYR A 81 16.465 -16.512 1.665 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.152 -17.125 3.990 1.00 0.00 C ATOM 891 CZ TYR A 81 16.171 -17.478 2.635 1.00 0.00 C ATOM 892 OH TYR A 81 15.897 -18.775 2.254 1.00 0.00 O ATOM 0 H TYR A 81 15.028 -12.253 2.667 1.00 0.00 H new ATOM 0 HA TYR A 81 15.443 -13.530 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.260 -12.815 2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.882 -13.388 4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 81 16.969 -14.449 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.411 -15.535 5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 81 16.478 -16.783 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.925 -17.869 4.739 1.00 0.00 H new ATOM 0 HH TYR A 81 15.715 -19.318 3.049 1.00 0.00 H new ATOM 902 N VAL A 82 15.446 -10.445 4.885 1.00 0.00 N ATOM 903 CA VAL A 82 15.722 -9.138 5.459 1.00 0.00 C ATOM 904 C VAL A 82 14.428 -8.494 5.960 1.00 0.00 C ATOM 905 O VAL A 82 13.336 -8.838 5.509 1.00 0.00 O ATOM 906 CB VAL A 82 16.356 -8.239 4.392 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.263 -7.431 3.685 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.360 -7.286 5.043 1.00 0.00 C ATOM 0 H VAL A 82 14.666 -10.463 4.228 1.00 0.00 H new ATOM 0 HA VAL A 82 16.406 -9.258 6.299 1.00 0.00 H new ATOM 0 HB VAL A 82 16.876 -8.861 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.716 -6.792 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.556 -8.112 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.738 -6.813 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.807 -6.650 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.848 -6.665 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.142 -7.863 5.537 1.00 0.00 H new ATOM 918 N ASP A 83 14.562 -7.559 6.890 1.00 0.00 N ATOM 919 CA ASP A 83 13.404 -6.866 7.444 1.00 0.00 C ATOM 920 C ASP A 83 13.528 -5.370 7.177 1.00 0.00 C ATOM 921 O ASP A 83 14.580 -4.783 7.409 1.00 0.00 O ATOM 922 CB ASP A 83 13.316 -7.123 8.949 1.00 0.00 C ATOM 923 CG ASP A 83 12.057 -6.482 9.526 1.00 0.00 C ATOM 924 OD1 ASP A 83 11.305 -5.899 8.765 1.00 0.00 O ATOM 925 OD2 ASP A 83 11.865 -6.584 10.726 1.00 0.00 O ATOM 0 H ASP A 83 15.458 -7.262 7.277 1.00 0.00 H new ATOM 0 HA ASP A 83 12.498 -7.241 6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.306 -8.196 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.198 -6.718 9.446 1.00 0.00 H new ATOM 930 N VAL A 84 12.453 -4.753 6.699 1.00 0.00 N ATOM 931 CA VAL A 84 12.481 -3.322 6.422 1.00 0.00 C ATOM 932 C VAL A 84 12.097 -2.531 7.672 1.00 0.00 C ATOM 933 O VAL A 84 11.171 -2.898 8.395 1.00 0.00 O ATOM 934 CB VAL A 84 11.520 -2.991 5.277 1.00 0.00 C ATOM 935 CG1 VAL A 84 11.701 -4.008 4.147 1.00 0.00 C ATOM 936 CG2 VAL A 84 10.080 -3.041 5.785 1.00 0.00 C ATOM 0 H VAL A 84 11.565 -5.212 6.498 1.00 0.00 H new ATOM 0 HA VAL A 84 13.493 -3.043 6.129 1.00 0.00 H new ATOM 0 HB VAL A 84 11.735 -1.990 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.017 -3.772 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.727 -3.968 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.488 -5.009 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.398 -2.805 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.862 -4.040 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.952 -2.314 6.587 1.00 0.00 H new ATOM 946 N ILE A 85 12.825 -1.448 7.922 1.00 0.00 N ATOM 947 CA ILE A 85 12.571 -0.605 9.082 1.00 0.00 C ATOM 948 C ILE A 85 12.465 0.862 8.672 1.00 0.00 C ATOM 949 O ILE A 85 12.956 1.261 7.615 1.00 0.00 O ATOM 950 CB ILE A 85 13.695 -0.784 10.110 1.00 0.00 C ATOM 951 CG1 ILE A 85 15.044 -0.449 9.466 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.718 -2.231 10.605 1.00 0.00 C ATOM 953 CD1 ILE A 85 16.135 -0.389 10.540 1.00 0.00 C ATOM 0 H ILE A 85 13.597 -1.134 7.335 1.00 0.00 H new ATOM 0 HA ILE A 85 11.623 -0.905 9.529 1.00 0.00 H new ATOM 0 HB ILE A 85 13.516 -0.114 10.951 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.297 -1.202 8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.981 0.507 8.946 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.518 -2.353 11.335 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.762 -2.472 11.071 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.890 -2.901 9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.091 -0.150 10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.885 0.381 11.270 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.206 -1.355 11.041 1.00 0.00 H new ATOM 965 N SER A 86 11.820 1.663 9.518 1.00 0.00 N ATOM 966 CA SER A 86 11.658 3.084 9.235 1.00 0.00 C ATOM 967 C SER A 86 12.460 3.922 10.228 1.00 0.00 C ATOM 968 O SER A 86 12.567 3.574 11.404 1.00 0.00 O ATOM 969 CB SER A 86 10.180 3.471 9.316 1.00 0.00 C ATOM 970 OG SER A 86 9.456 2.773 8.312 1.00 0.00 O ATOM 0 H SER A 86 11.405 1.354 10.397 1.00 0.00 H new ATOM 0 HA SER A 86 12.028 3.278 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.782 3.229 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.066 4.547 9.181 1.00 0.00 H new ATOM 0 HG SER A 86 8.508 3.018 8.362 1.00 0.00 H new ATOM 976 N GLU A 87 13.019 5.027 9.747 1.00 0.00 N ATOM 977 CA GLU A 87 13.807 5.911 10.598 1.00 0.00 C ATOM 978 C GLU A 87 13.618 7.365 10.180 1.00 0.00 C ATOM 979 O GLU A 87 12.513 7.861 10.318 1.00 0.00 O ATOM 980 CB GLU A 87 15.290 5.542 10.513 1.00 0.00 C ATOM 981 CG GLU A 87 15.594 4.402 11.488 1.00 0.00 C ATOM 982 CD GLU A 87 17.057 3.989 11.367 1.00 0.00 C ATOM 983 OE1 GLU A 87 17.862 4.830 10.999 1.00 0.00 O ATOM 984 OE2 GLU A 87 17.353 2.839 11.647 1.00 0.00 O ATOM 0 H GLU A 87 12.942 5.331 8.776 1.00 0.00 H new ATOM 0 HA GLU A 87 13.464 5.791 11.626 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.542 5.241 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.905 6.410 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.380 4.719 12.509 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.948 3.550 11.277 1.00 0.00 H new TER 991 GLU A 87