USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -150:sc= -0.128 USER MOD Set 1.2: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -130:sc= -0.817 USER MOD Single : A 6 SER OG : rot -56:sc=0.000337 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.017 (180deg=-0.234) USER MOD Single : A 22 ASN :FLIP amide:sc= -2.9! C(o=-4.1!,f=-2.9!) USER MOD Single : A 25 THR OG1 : rot -51:sc= 1.08 USER MOD Single : A 26 ASN : amide:sc= 0.314 K(o=0.31,f=-0.65) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.238 (180deg=-1.03) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -0.12 (180deg=-0.554) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.0552 (180deg=-0.338) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.855 -1.228 7.447 1.00 0.00 N ATOM 2 CA GLY A 1 -1.463 -0.497 6.257 1.00 0.00 C ATOM 3 C GLY A 1 -2.207 0.816 6.111 1.00 0.00 C ATOM 4 O GLY A 1 -1.647 1.885 6.350 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.318 -2.117 7.501 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.656 -0.652 8.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.872 -1.440 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.391 -0.302 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.647 -1.115 5.378 1.00 0.00 H new ATOM 8 N SER A 2 -3.474 0.735 5.716 1.00 0.00 N ATOM 9 CA SER A 2 -4.295 1.926 5.533 1.00 0.00 C ATOM 10 C SER A 2 -5.167 2.179 6.760 1.00 0.00 C ATOM 11 O SER A 2 -5.473 1.258 7.517 1.00 0.00 O ATOM 12 CB SER A 2 -5.174 1.779 4.290 1.00 0.00 C ATOM 13 OG SER A 2 -4.387 1.581 3.128 1.00 0.00 O ATOM 0 H SER A 2 -3.954 -0.143 5.517 1.00 0.00 H new ATOM 0 HA SER A 2 -3.630 2.779 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.854 0.937 4.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.789 2.671 4.169 1.00 0.00 H new ATOM 0 HG SER A 2 -4.973 1.488 2.348 1.00 0.00 H new ATOM 19 N SER A 3 -5.562 3.433 6.948 1.00 0.00 N ATOM 20 CA SER A 3 -6.395 3.809 8.084 1.00 0.00 C ATOM 21 C SER A 3 -7.471 4.806 7.663 1.00 0.00 C ATOM 22 O SER A 3 -7.194 5.773 6.955 1.00 0.00 O ATOM 23 CB SER A 3 -5.535 4.410 9.198 1.00 0.00 C ATOM 24 OG SER A 3 -4.789 3.407 9.864 1.00 0.00 O ATOM 0 H SER A 3 -5.319 4.206 6.329 1.00 0.00 H new ATOM 0 HA SER A 3 -6.884 2.909 8.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.857 5.153 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.172 4.929 9.914 1.00 0.00 H new ATOM 0 HG SER A 3 -4.247 3.817 10.570 1.00 0.00 H new ATOM 30 N GLY A 4 -8.701 4.561 8.104 1.00 0.00 N ATOM 31 CA GLY A 4 -9.801 5.445 7.763 1.00 0.00 C ATOM 32 C GLY A 4 -9.960 5.622 6.266 1.00 0.00 C ATOM 33 O GLY A 4 -10.200 6.730 5.787 1.00 0.00 O ATOM 0 H GLY A 4 -8.956 3.767 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.726 5.046 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.638 6.418 8.225 1.00 0.00 H new ATOM 37 N SER A 5 -9.824 4.527 5.524 1.00 0.00 N ATOM 38 CA SER A 5 -9.949 4.567 4.072 1.00 0.00 C ATOM 39 C SER A 5 -11.348 4.144 3.635 1.00 0.00 C ATOM 40 O SER A 5 -11.970 4.791 2.793 1.00 0.00 O ATOM 41 CB SER A 5 -8.903 3.657 3.424 1.00 0.00 C ATOM 42 OG SER A 5 -7.596 3.998 3.852 1.00 0.00 O ATOM 0 H SER A 5 -9.627 3.601 5.905 1.00 0.00 H new ATOM 0 HA SER A 5 -9.780 5.593 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.113 2.618 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.967 3.739 2.339 1.00 0.00 H new ATOM 0 HG SER A 5 -7.011 4.094 3.072 1.00 0.00 H new ATOM 48 N SER A 6 -11.837 3.052 4.215 1.00 0.00 N ATOM 49 CA SER A 6 -13.162 2.539 3.883 1.00 0.00 C ATOM 50 C SER A 6 -13.201 2.026 2.447 1.00 0.00 C ATOM 51 O SER A 6 -14.128 2.324 1.695 1.00 0.00 O ATOM 52 CB SER A 6 -14.217 3.629 4.077 1.00 0.00 C ATOM 53 OG SER A 6 -15.508 3.066 4.238 1.00 0.00 O ATOM 0 H SER A 6 -11.336 2.506 4.916 1.00 0.00 H new ATOM 0 HA SER A 6 -13.382 1.708 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.967 4.230 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.214 4.300 3.218 1.00 0.00 H new ATOM 0 HG SER A 6 -15.712 2.490 3.472 1.00 0.00 H new ATOM 59 N GLY A 7 -12.187 1.251 2.074 1.00 0.00 N ATOM 60 CA GLY A 7 -12.124 0.708 0.729 1.00 0.00 C ATOM 61 C GLY A 7 -12.619 -0.723 0.658 1.00 0.00 C ATOM 62 O GLY A 7 -13.242 -1.219 1.597 1.00 0.00 O ATOM 0 H GLY A 7 -11.408 0.989 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.721 1.329 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.096 0.752 0.371 1.00 0.00 H new ATOM 66 N TYR A 8 -12.343 -1.388 -0.458 1.00 0.00 N ATOM 67 CA TYR A 8 -12.768 -2.769 -0.650 1.00 0.00 C ATOM 68 C TYR A 8 -11.922 -3.456 -1.718 1.00 0.00 C ATOM 69 O TYR A 8 -11.123 -2.816 -2.402 1.00 0.00 O ATOM 70 CB TYR A 8 -14.245 -2.821 -1.043 1.00 0.00 C ATOM 71 CG TYR A 8 -14.476 -2.778 -2.537 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.392 -3.932 -3.306 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.778 -1.583 -3.180 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.601 -3.898 -4.671 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.990 -1.540 -4.544 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.901 -2.700 -5.285 1.00 0.00 C ATOM 77 OH TYR A 8 -15.110 -2.660 -6.645 1.00 0.00 O ATOM 0 H TYR A 8 -11.827 -0.993 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.631 -3.298 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.687 -3.733 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.765 -1.983 -0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.159 -4.872 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.848 -0.673 -2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.530 -4.804 -5.254 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.224 -0.603 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.312 -1.741 -6.918 1.00 0.00 H new ATOM 87 N THR A 9 -12.104 -4.766 -1.856 1.00 0.00 N ATOM 88 CA THR A 9 -11.358 -5.542 -2.839 1.00 0.00 C ATOM 89 C THR A 9 -12.109 -6.813 -3.220 1.00 0.00 C ATOM 90 O THR A 9 -12.921 -7.322 -2.447 1.00 0.00 O ATOM 91 CB THR A 9 -9.962 -5.923 -2.312 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.304 -4.764 -1.785 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.114 -6.534 -3.417 1.00 0.00 C ATOM 0 H THR A 9 -12.762 -5.312 -1.299 1.00 0.00 H new ATOM 0 HA THR A 9 -11.245 -4.911 -3.721 1.00 0.00 H new ATOM 0 HB THR A 9 -10.086 -6.662 -1.520 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.418 -5.015 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.133 -6.795 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.602 -7.432 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.998 -5.814 -4.227 1.00 0.00 H new ATOM 101 N CYS A 10 -11.831 -7.322 -4.416 1.00 0.00 N ATOM 102 CA CYS A 10 -12.480 -8.534 -4.900 1.00 0.00 C ATOM 103 C CYS A 10 -12.330 -9.671 -3.893 1.00 0.00 C ATOM 104 O CYS A 10 -11.227 -10.166 -3.660 1.00 0.00 O ATOM 105 CB CYS A 10 -11.888 -8.950 -6.248 1.00 0.00 C ATOM 106 SG CYS A 10 -12.518 -10.539 -6.878 1.00 0.00 S ATOM 0 H CYS A 10 -11.161 -6.914 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.542 -8.322 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.099 -8.171 -6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.804 -9.013 -6.153 1.00 0.00 H new ATOM 111 N PHE A 11 -13.446 -10.081 -3.301 1.00 0.00 N ATOM 112 CA PHE A 11 -13.440 -11.159 -2.319 1.00 0.00 C ATOM 113 C PHE A 11 -13.238 -12.511 -2.997 1.00 0.00 C ATOM 114 O PHE A 11 -13.079 -13.533 -2.330 1.00 0.00 O ATOM 115 CB PHE A 11 -14.748 -11.163 -1.526 1.00 0.00 C ATOM 116 CG PHE A 11 -14.835 -12.274 -0.519 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.939 -12.343 0.535 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.814 -13.249 -0.626 1.00 0.00 C ATOM 119 CE1 PHE A 11 -14.016 -13.364 1.463 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.897 -14.273 0.299 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.997 -14.330 1.346 1.00 0.00 C ATOM 0 H PHE A 11 -14.367 -9.683 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.609 -10.988 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.855 -10.208 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.584 -11.246 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.171 -11.590 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.521 -13.208 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.310 -13.407 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.664 -15.027 0.203 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.060 -15.128 2.071 1.00 0.00 H new ATOM 131 N ARG A 12 -13.246 -12.507 -4.326 1.00 0.00 N ATOM 132 CA ARG A 12 -13.065 -13.732 -5.094 1.00 0.00 C ATOM 133 C ARG A 12 -11.593 -14.129 -5.148 1.00 0.00 C ATOM 134 O ARG A 12 -11.186 -15.129 -4.556 1.00 0.00 O ATOM 135 CB ARG A 12 -13.608 -13.554 -6.513 1.00 0.00 C ATOM 136 CG ARG A 12 -14.038 -14.856 -7.169 1.00 0.00 C ATOM 137 CD ARG A 12 -14.801 -14.604 -8.460 1.00 0.00 C ATOM 138 NE ARG A 12 -14.745 -15.751 -9.362 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.331 -16.916 -9.108 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.015 -17.086 -7.985 1.00 0.00 N ATOM 141 NH2 ARG A 12 -15.234 -17.912 -9.979 1.00 0.00 N ATOM 0 H ARG A 12 -13.376 -11.669 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.620 -14.528 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.459 -12.873 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.843 -13.082 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.160 -15.467 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.664 -15.423 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.841 -14.376 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.387 -13.729 -8.961 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.227 -15.652 -10.235 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.092 -16.322 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.464 -17.981 -7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.709 -17.784 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.684 -18.806 -9.783 1.00 0.00 H new ATOM 155 N CYS A 13 -10.798 -13.338 -5.861 1.00 0.00 N ATOM 156 CA CYS A 13 -9.371 -13.606 -5.993 1.00 0.00 C ATOM 157 C CYS A 13 -8.568 -12.780 -4.992 1.00 0.00 C ATOM 158 O CYS A 13 -7.532 -13.222 -4.496 1.00 0.00 O ATOM 159 CB CYS A 13 -8.903 -13.298 -7.417 1.00 0.00 C ATOM 160 SG CYS A 13 -8.915 -11.525 -7.837 1.00 0.00 S ATOM 0 H CYS A 13 -11.118 -12.506 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.204 -14.662 -5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.892 -13.684 -7.547 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.541 -13.832 -8.121 1.00 0.00 H new ATOM 165 N GLY A 14 -9.053 -11.577 -4.700 1.00 0.00 N ATOM 166 CA GLY A 14 -8.369 -10.709 -3.760 1.00 0.00 C ATOM 167 C GLY A 14 -7.605 -9.596 -4.450 1.00 0.00 C ATOM 168 O GLY A 14 -6.550 -9.171 -3.977 1.00 0.00 O ATOM 0 H GLY A 14 -9.908 -11.188 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.097 -10.275 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.679 -11.301 -3.159 1.00 0.00 H new ATOM 172 N LYS A 15 -8.136 -9.123 -5.572 1.00 0.00 N ATOM 173 CA LYS A 15 -7.498 -8.052 -6.329 1.00 0.00 C ATOM 174 C LYS A 15 -8.395 -6.820 -6.391 1.00 0.00 C ATOM 175 O LYS A 15 -9.597 -6.910 -6.641 1.00 0.00 O ATOM 176 CB LYS A 15 -7.168 -8.529 -7.745 1.00 0.00 C ATOM 177 CG LYS A 15 -6.046 -9.551 -7.798 1.00 0.00 C ATOM 178 CD LYS A 15 -4.691 -8.904 -7.561 1.00 0.00 C ATOM 179 CE LYS A 15 -3.597 -9.593 -8.361 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.951 -10.690 -7.588 1.00 0.00 N ATOM 0 H LYS A 15 -9.007 -9.465 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.574 -7.780 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.063 -8.962 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.893 -7.668 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.219 -10.322 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.049 -10.046 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.736 -7.851 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.448 -8.945 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.020 -9.997 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.843 -8.861 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.211 -11.134 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.525 -10.301 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.665 -11.402 -7.333 1.00 0.00 H new ATOM 194 N PRO A 16 -7.799 -5.641 -6.161 1.00 0.00 N ATOM 195 CA PRO A 16 -8.526 -4.368 -6.187 1.00 0.00 C ATOM 196 C PRO A 16 -8.966 -3.981 -7.595 1.00 0.00 C ATOM 197 O PRO A 16 -8.737 -4.720 -8.552 1.00 0.00 O ATOM 198 CB PRO A 16 -7.502 -3.364 -5.652 1.00 0.00 C ATOM 199 CG PRO A 16 -6.178 -3.972 -5.962 1.00 0.00 C ATOM 200 CD PRO A 16 -6.370 -5.459 -5.856 1.00 0.00 C ATOM 0 HA PRO A 16 -9.446 -4.412 -5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.613 -2.392 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.624 -3.207 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.844 -3.692 -6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.417 -3.626 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.737 -5.997 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.122 -5.826 -4.860 1.00 0.00 H new ATOM 208 N GLY A 17 -9.599 -2.818 -7.714 1.00 0.00 N ATOM 209 CA GLY A 17 -10.061 -2.354 -9.009 1.00 0.00 C ATOM 210 C GLY A 17 -11.409 -2.934 -9.386 1.00 0.00 C ATOM 211 O GLY A 17 -12.234 -2.258 -10.002 1.00 0.00 O ATOM 0 H GLY A 17 -9.800 -2.189 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.127 -1.266 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.328 -2.622 -9.770 1.00 0.00 H new ATOM 215 N HIS A 18 -11.635 -4.191 -9.016 1.00 0.00 N ATOM 216 CA HIS A 18 -12.894 -4.862 -9.321 1.00 0.00 C ATOM 217 C HIS A 18 -13.432 -5.590 -8.092 1.00 0.00 C ATOM 218 O HIS A 18 -12.727 -5.751 -7.096 1.00 0.00 O ATOM 219 CB HIS A 18 -12.703 -5.852 -10.470 1.00 0.00 C ATOM 220 CG HIS A 18 -11.868 -7.040 -10.106 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.495 -7.065 -10.239 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.218 -8.249 -9.608 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.038 -8.238 -9.841 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.063 -8.975 -9.453 1.00 0.00 N ATOM 0 H HIS A 18 -10.964 -4.765 -8.505 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.618 -4.104 -9.620 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.680 -6.196 -10.808 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.238 -5.336 -11.310 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.922 -6.297 -10.590 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.219 -8.581 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.002 -8.543 -9.834 1.00 0.00 H new ATOM 232 N TYR A 19 -14.685 -6.025 -8.170 1.00 0.00 N ATOM 233 CA TYR A 19 -15.319 -6.732 -7.064 1.00 0.00 C ATOM 234 C TYR A 19 -15.521 -8.205 -7.403 1.00 0.00 C ATOM 235 O TYR A 19 -15.227 -8.643 -8.516 1.00 0.00 O ATOM 236 CB TYR A 19 -16.663 -6.086 -6.722 1.00 0.00 C ATOM 237 CG TYR A 19 -17.380 -5.509 -7.921 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.859 -4.420 -8.609 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.579 -6.052 -8.367 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.510 -3.888 -9.705 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.237 -5.528 -9.463 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.699 -4.446 -10.128 1.00 0.00 C ATOM 243 OH TYR A 19 -19.352 -3.920 -11.219 1.00 0.00 O ATOM 0 H TYR A 19 -15.282 -5.900 -8.988 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.660 -6.665 -6.198 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.304 -6.830 -6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.500 -5.294 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.928 -3.982 -8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.004 -6.898 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.091 -3.041 -10.228 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.167 -5.963 -9.797 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.173 -4.429 -11.386 1.00 0.00 H new ATOM 253 N ILE A 20 -16.026 -8.964 -6.437 1.00 0.00 N ATOM 254 CA ILE A 20 -16.270 -10.388 -6.633 1.00 0.00 C ATOM 255 C ILE A 20 -17.288 -10.624 -7.743 1.00 0.00 C ATOM 256 O ILE A 20 -17.368 -11.715 -8.307 1.00 0.00 O ATOM 257 CB ILE A 20 -16.774 -11.056 -5.340 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.068 -12.537 -5.586 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.015 -10.343 -4.824 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.836 -13.409 -4.372 1.00 0.00 C ATOM 0 H ILE A 20 -16.274 -8.617 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.317 -10.835 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.994 -10.981 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.104 -12.645 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.441 -12.893 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.359 -10.827 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.775 -9.301 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.801 -10.390 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.064 -14.446 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.794 -13.331 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.482 -13.080 -3.558 1.00 0.00 H new ATOM 272 N LYS A 21 -18.064 -9.591 -8.055 1.00 0.00 N ATOM 273 CA LYS A 21 -19.076 -9.683 -9.101 1.00 0.00 C ATOM 274 C LYS A 21 -18.509 -9.244 -10.447 1.00 0.00 C ATOM 275 O LYS A 21 -19.004 -9.644 -11.500 1.00 0.00 O ATOM 276 CB LYS A 21 -20.290 -8.822 -8.742 1.00 0.00 C ATOM 277 CG LYS A 21 -20.527 -8.700 -7.247 1.00 0.00 C ATOM 278 CD LYS A 21 -20.984 -10.018 -6.645 1.00 0.00 C ATOM 279 CE LYS A 21 -22.475 -10.236 -6.847 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.290 -9.310 -6.012 1.00 0.00 N ATOM 0 H LYS A 21 -18.011 -8.680 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.387 -10.725 -9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.156 -7.826 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.178 -9.248 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.609 -8.374 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.278 -7.933 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.430 -10.839 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.754 -10.032 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.724 -10.091 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.728 -11.267 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.257 -9.683 -5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.862 -9.226 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.321 -8.373 -6.462 1.00 0.00 H new ATOM 294 N ASN A 22 -17.466 -8.421 -10.405 1.00 0.00 N ATOM 295 CA ASN A 22 -16.831 -7.929 -11.622 1.00 0.00 C ATOM 296 C ASN A 22 -15.461 -8.572 -11.819 1.00 0.00 C ATOM 297 O ASN A 22 -14.632 -8.073 -12.580 1.00 0.00 O ATOM 298 CB ASN A 22 -16.689 -6.407 -11.568 1.00 0.00 C ATOM 299 CG ASN A 22 -15.794 -5.870 -12.669 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.852 -5.010 -12.299 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -15.948 -6.225 -13.838 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.043 -8.081 -9.541 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.464 -8.199 -12.467 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.675 -5.950 -11.650 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.282 -6.117 -10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.685 -6.888 -14.077 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.338 -5.856 -14.568 1.00 0.00 H new ATOM 308 N CYS A 23 -15.231 -9.683 -11.128 1.00 0.00 N ATOM 309 CA CYS A 23 -13.963 -10.396 -11.226 1.00 0.00 C ATOM 310 C CYS A 23 -13.877 -11.177 -12.534 1.00 0.00 C ATOM 311 O CYS A 23 -14.814 -11.867 -12.936 1.00 0.00 O ATOM 312 CB CYS A 23 -13.795 -11.347 -10.039 1.00 0.00 C ATOM 313 SG CYS A 23 -12.185 -12.198 -9.989 1.00 0.00 S ATOM 0 H CYS A 23 -15.906 -10.109 -10.494 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.159 -9.660 -11.210 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.925 -10.784 -9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.588 -12.094 -10.071 1.00 0.00 H new ATOM 318 N PRO A 24 -12.727 -11.067 -13.214 1.00 0.00 N ATOM 319 CA PRO A 24 -12.490 -11.756 -14.486 1.00 0.00 C ATOM 320 C PRO A 24 -12.357 -13.265 -14.312 1.00 0.00 C ATOM 321 O PRO A 24 -12.980 -14.042 -15.036 1.00 0.00 O ATOM 322 CB PRO A 24 -11.170 -11.155 -14.975 1.00 0.00 C ATOM 323 CG PRO A 24 -10.480 -10.698 -13.736 1.00 0.00 C ATOM 324 CD PRO A 24 -11.567 -10.262 -12.794 1.00 0.00 C ATOM 0 HA PRO A 24 -13.318 -11.623 -15.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.573 -11.893 -15.511 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.343 -10.326 -15.661 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.886 -11.502 -13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.797 -9.876 -13.950 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.299 -10.455 -11.755 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.767 -9.194 -12.879 1.00 0.00 H new ATOM 332 N THR A 25 -11.540 -13.675 -13.347 1.00 0.00 N ATOM 333 CA THR A 25 -11.324 -15.091 -13.078 1.00 0.00 C ATOM 334 C THR A 25 -12.596 -15.896 -13.317 1.00 0.00 C ATOM 335 O THR A 25 -12.548 -17.015 -13.826 1.00 0.00 O ATOM 336 CB THR A 25 -10.848 -15.322 -11.632 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.870 -14.928 -10.710 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.575 -14.538 -11.349 1.00 0.00 C ATOM 0 H THR A 25 -11.017 -13.046 -12.738 1.00 0.00 H new ATOM 0 HA THR A 25 -10.549 -15.429 -13.766 1.00 0.00 H new ATOM 0 HB THR A 25 -10.637 -16.384 -11.509 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.175 -14.022 -10.927 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.258 -14.717 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.790 -14.861 -12.032 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.764 -13.474 -11.490 1.00 0.00 H new ATOM 346 N ASN A 26 -13.735 -15.319 -12.946 1.00 0.00 N ATOM 347 CA ASN A 26 -15.021 -15.983 -13.120 1.00 0.00 C ATOM 348 C ASN A 26 -15.061 -16.754 -14.436 1.00 0.00 C ATOM 349 O ASN A 26 -15.334 -17.953 -14.457 1.00 0.00 O ATOM 350 CB ASN A 26 -16.157 -14.959 -13.080 1.00 0.00 C ATOM 351 CG ASN A 26 -16.611 -14.653 -11.666 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.269 -15.471 -11.022 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.259 -13.470 -11.175 1.00 0.00 N ATOM 0 H ASN A 26 -13.793 -14.393 -12.523 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.151 -16.691 -12.301 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.829 -14.037 -13.561 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.002 -15.335 -13.656 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.534 -13.208 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.713 -12.823 -11.745 1.00 0.00 H new ATOM 360 N GLY A 27 -14.787 -16.055 -15.533 1.00 0.00 N ATOM 361 CA GLY A 27 -14.797 -16.689 -16.839 1.00 0.00 C ATOM 362 C GLY A 27 -13.407 -17.072 -17.307 1.00 0.00 C ATOM 363 O GLY A 27 -13.059 -16.867 -18.470 1.00 0.00 O ATOM 0 H GLY A 27 -14.558 -15.061 -15.541 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.423 -17.580 -16.802 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.248 -16.012 -17.565 1.00 0.00 H new ATOM 367 N ASP A 28 -12.611 -17.628 -16.401 1.00 0.00 N ATOM 368 CA ASP A 28 -11.251 -18.041 -16.727 1.00 0.00 C ATOM 369 C ASP A 28 -11.075 -19.542 -16.525 1.00 0.00 C ATOM 370 O ASP A 28 -11.382 -20.077 -15.459 1.00 0.00 O ATOM 371 CB ASP A 28 -10.243 -17.276 -15.868 1.00 0.00 C ATOM 372 CG ASP A 28 -10.192 -15.800 -16.210 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.205 -15.274 -16.717 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.139 -15.172 -15.973 1.00 0.00 O ATOM 0 H ASP A 28 -12.884 -17.803 -15.434 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.070 -17.811 -17.777 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.504 -17.393 -14.816 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.253 -17.711 -16.001 1.00 0.00 H new ATOM 379 N LYS A 29 -10.580 -20.219 -17.556 1.00 0.00 N ATOM 380 CA LYS A 29 -10.362 -21.659 -17.493 1.00 0.00 C ATOM 381 C LYS A 29 -9.012 -21.978 -16.859 1.00 0.00 C ATOM 382 O LYS A 29 -7.966 -21.585 -17.374 1.00 0.00 O ATOM 383 CB LYS A 29 -10.437 -22.269 -18.895 1.00 0.00 C ATOM 384 CG LYS A 29 -9.424 -21.687 -19.866 1.00 0.00 C ATOM 385 CD LYS A 29 -9.943 -21.710 -21.293 1.00 0.00 C ATOM 386 CE LYS A 29 -9.568 -23.003 -22.002 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.116 -24.198 -21.302 1.00 0.00 N ATOM 0 H LYS A 29 -10.322 -19.793 -18.446 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.146 -22.093 -16.873 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.282 -23.345 -18.823 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.440 -22.118 -19.295 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.191 -20.662 -19.579 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.495 -22.253 -19.807 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.027 -21.597 -21.289 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.536 -20.861 -21.843 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.943 -22.978 -23.025 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.483 -23.083 -22.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.174 -24.994 -21.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.491 -24.454 -20.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.066 -23.982 -20.937 1.00 0.00 H new ATOM 401 N ASN A 30 -9.043 -22.695 -15.740 1.00 0.00 N ATOM 402 CA ASN A 30 -7.821 -23.067 -15.037 1.00 0.00 C ATOM 403 C ASN A 30 -7.086 -21.830 -14.531 1.00 0.00 C ATOM 404 O ASN A 30 -5.857 -21.808 -14.466 1.00 0.00 O ATOM 405 CB ASN A 30 -6.905 -23.877 -15.958 1.00 0.00 C ATOM 406 CG ASN A 30 -7.562 -25.152 -16.451 1.00 0.00 C ATOM 407 OD1 ASN A 30 -7.752 -26.100 -15.689 1.00 0.00 O ATOM 408 ND2 ASN A 30 -7.911 -25.180 -17.731 1.00 0.00 N ATOM 0 H ASN A 30 -9.901 -23.030 -15.301 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.097 -23.680 -14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.620 -23.264 -16.813 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.987 -24.127 -15.425 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.356 -26.011 -18.120 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.734 -24.370 -18.326 1.00 0.00 H new ATOM 415 N PHE A 31 -7.847 -20.802 -14.172 1.00 0.00 N ATOM 416 CA PHE A 31 -7.269 -19.560 -13.671 1.00 0.00 C ATOM 417 C PHE A 31 -6.214 -19.843 -12.606 1.00 0.00 C ATOM 418 O PHE A 31 -5.179 -19.179 -12.552 1.00 0.00 O ATOM 419 CB PHE A 31 -8.364 -18.659 -13.095 1.00 0.00 C ATOM 420 CG PHE A 31 -8.871 -19.114 -11.756 1.00 0.00 C ATOM 421 CD1 PHE A 31 -9.369 -20.396 -11.589 1.00 0.00 C ATOM 422 CD2 PHE A 31 -8.850 -18.259 -10.666 1.00 0.00 C ATOM 423 CE1 PHE A 31 -9.837 -20.816 -10.358 1.00 0.00 C ATOM 424 CE2 PHE A 31 -9.317 -18.674 -9.433 1.00 0.00 C ATOM 425 CZ PHE A 31 -9.810 -19.955 -9.279 1.00 0.00 C ATOM 0 H PHE A 31 -8.866 -20.804 -14.219 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.789 -19.048 -14.505 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.977 -17.644 -13.003 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.198 -18.620 -13.796 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.392 -21.074 -12.429 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.464 -17.257 -10.781 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.224 -21.817 -10.240 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.296 -17.998 -8.591 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.174 -20.283 -8.316 1.00 0.00 H new ATOM 435 N GLU A 32 -6.485 -20.832 -11.760 1.00 0.00 N ATOM 436 CA GLU A 32 -5.560 -21.201 -10.695 1.00 0.00 C ATOM 437 C GLU A 32 -4.163 -21.459 -11.254 1.00 0.00 C ATOM 438 O GLU A 32 -3.164 -21.020 -10.684 1.00 0.00 O ATOM 439 CB GLU A 32 -6.064 -22.443 -9.959 1.00 0.00 C ATOM 440 CG GLU A 32 -7.002 -22.129 -8.806 1.00 0.00 C ATOM 441 CD GLU A 32 -7.060 -23.244 -7.779 1.00 0.00 C ATOM 442 OE1 GLU A 32 -7.014 -24.424 -8.182 1.00 0.00 O ATOM 443 OE2 GLU A 32 -7.150 -22.934 -6.573 1.00 0.00 O ATOM 0 H GLU A 32 -7.337 -21.392 -11.792 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.504 -20.370 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.578 -23.091 -10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.209 -23.002 -9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.678 -21.209 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.003 -21.948 -9.197 1.00 0.00 H new ATOM 450 N SER A 33 -4.102 -22.176 -12.372 1.00 0.00 N ATOM 451 CA SER A 33 -2.829 -22.497 -13.005 1.00 0.00 C ATOM 452 C SER A 33 -2.025 -21.230 -13.282 1.00 0.00 C ATOM 453 O SER A 33 -0.842 -21.148 -12.955 1.00 0.00 O ATOM 454 CB SER A 33 -3.063 -23.261 -14.310 1.00 0.00 C ATOM 455 OG SER A 33 -3.502 -24.584 -14.054 1.00 0.00 O ATOM 0 H SER A 33 -4.919 -22.545 -12.858 1.00 0.00 H new ATOM 0 HA SER A 33 -2.259 -23.126 -12.321 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.805 -22.738 -14.913 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.141 -23.286 -14.891 1.00 0.00 H new ATOM 0 HG SER A 33 -3.646 -25.051 -14.903 1.00 0.00 H new ATOM 461 N GLY A 34 -2.678 -20.243 -13.888 1.00 0.00 N ATOM 462 CA GLY A 34 -2.010 -18.993 -14.200 1.00 0.00 C ATOM 463 C GLY A 34 -2.605 -18.303 -15.411 1.00 0.00 C ATOM 464 O GLY A 34 -2.644 -18.856 -16.510 1.00 0.00 O ATOM 0 H GLY A 34 -3.658 -20.287 -14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.072 -18.327 -13.339 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.952 -19.185 -14.379 1.00 0.00 H new ATOM 468 N PRO A 35 -3.085 -17.066 -15.216 1.00 0.00 N ATOM 469 CA PRO A 35 -3.692 -16.274 -16.290 1.00 0.00 C ATOM 470 C PRO A 35 -2.668 -15.819 -17.324 1.00 0.00 C ATOM 471 O PRO A 35 -1.729 -15.090 -17.004 1.00 0.00 O ATOM 472 CB PRO A 35 -4.279 -15.067 -15.553 1.00 0.00 C ATOM 473 CG PRO A 35 -3.458 -14.943 -14.316 1.00 0.00 C ATOM 474 CD PRO A 35 -3.072 -16.345 -13.932 1.00 0.00 C ATOM 0 HA PRO A 35 -4.429 -16.847 -16.852 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.218 -14.164 -16.161 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.332 -15.221 -15.316 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.574 -14.330 -14.494 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.024 -14.462 -13.518 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.089 -16.377 -13.463 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.778 -16.776 -13.222 1.00 0.00 H new ATOM 482 N ARG A 36 -2.855 -16.254 -18.566 1.00 0.00 N ATOM 483 CA ARG A 36 -1.947 -15.892 -19.648 1.00 0.00 C ATOM 484 C ARG A 36 -2.151 -14.439 -20.066 1.00 0.00 C ATOM 485 O ARG A 36 -3.253 -13.900 -19.956 1.00 0.00 O ATOM 486 CB ARG A 36 -2.158 -16.814 -20.850 1.00 0.00 C ATOM 487 CG ARG A 36 -3.489 -16.604 -21.552 1.00 0.00 C ATOM 488 CD ARG A 36 -3.425 -17.036 -23.009 1.00 0.00 C ATOM 489 NE ARG A 36 -3.618 -18.475 -23.162 1.00 0.00 N ATOM 490 CZ ARG A 36 -3.332 -19.141 -24.276 1.00 0.00 C ATOM 491 NH1 ARG A 36 -2.841 -18.500 -25.327 1.00 0.00 N ATOM 492 NH2 ARG A 36 -3.536 -20.450 -24.338 1.00 0.00 N ATOM 0 H ARG A 36 -3.627 -16.858 -18.848 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.926 -16.008 -19.285 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.351 -16.655 -21.565 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.091 -17.850 -20.519 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.266 -17.169 -21.038 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.770 -15.552 -21.495 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.188 -16.505 -23.578 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.460 -16.753 -23.429 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.993 -18.998 -22.371 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.682 -17.493 -25.282 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.622 -19.013 -26.181 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.913 -20.946 -23.530 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.316 -20.960 -25.193 1.00 0.00 H new ATOM 506 N ILE A 37 -1.082 -13.810 -20.544 1.00 0.00 N ATOM 507 CA ILE A 37 -1.145 -12.421 -20.979 1.00 0.00 C ATOM 508 C ILE A 37 -1.918 -11.566 -19.979 1.00 0.00 C ATOM 509 O ILE A 37 -2.578 -10.597 -20.354 1.00 0.00 O ATOM 510 CB ILE A 37 -1.805 -12.293 -22.364 1.00 0.00 C ATOM 511 CG1 ILE A 37 -1.535 -10.908 -22.956 1.00 0.00 C ATOM 512 CG2 ILE A 37 -3.301 -12.550 -22.264 1.00 0.00 C ATOM 513 CD1 ILE A 37 -1.822 -10.819 -24.439 1.00 0.00 C ATOM 0 H ILE A 37 -0.162 -14.241 -20.640 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.117 -12.064 -21.042 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.371 -13.042 -23.027 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.144 -10.172 -22.431 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.493 -10.643 -22.779 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.753 -12.456 -23.251 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.473 -13.556 -21.881 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.751 -11.823 -21.588 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.609 -9.810 -24.791 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.194 -11.531 -24.975 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.871 -11.053 -24.621 1.00 0.00 H new ATOM 525 N LYS A 38 -1.830 -11.932 -18.705 1.00 0.00 N ATOM 526 CA LYS A 38 -2.518 -11.198 -17.649 1.00 0.00 C ATOM 527 C LYS A 38 -2.111 -9.728 -17.654 1.00 0.00 C ATOM 528 O LYS A 38 -0.979 -9.387 -18.000 1.00 0.00 O ATOM 529 CB LYS A 38 -2.210 -11.819 -16.285 1.00 0.00 C ATOM 530 CG LYS A 38 -0.790 -11.567 -15.808 1.00 0.00 C ATOM 531 CD LYS A 38 -0.647 -11.829 -14.318 1.00 0.00 C ATOM 532 CE LYS A 38 0.685 -11.321 -13.788 1.00 0.00 C ATOM 533 NZ LYS A 38 1.834 -12.080 -14.354 1.00 0.00 N ATOM 0 H LYS A 38 -1.289 -12.733 -18.378 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.590 -11.260 -17.836 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.908 -11.421 -15.548 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.381 -12.894 -16.338 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.101 -12.208 -16.359 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.510 -10.536 -16.026 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.462 -11.343 -13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.732 -12.899 -14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.793 -10.264 -14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.697 -11.401 -12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.723 -11.703 -13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.745 -13.085 -14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.838 -11.983 -15.389 1.00 0.00 H new ATOM 547 N LYS A 39 -3.040 -8.860 -17.267 1.00 0.00 N ATOM 548 CA LYS A 39 -2.777 -7.427 -17.224 1.00 0.00 C ATOM 549 C LYS A 39 -3.871 -6.697 -16.450 1.00 0.00 C ATOM 550 O LYS A 39 -4.975 -7.214 -16.280 1.00 0.00 O ATOM 551 CB LYS A 39 -2.678 -6.862 -18.643 1.00 0.00 C ATOM 552 CG LYS A 39 -3.941 -7.055 -19.464 1.00 0.00 C ATOM 553 CD LYS A 39 -4.925 -5.917 -19.250 1.00 0.00 C ATOM 554 CE LYS A 39 -5.950 -5.848 -20.371 1.00 0.00 C ATOM 555 NZ LYS A 39 -5.318 -5.525 -21.681 1.00 0.00 N ATOM 0 H LYS A 39 -3.982 -9.125 -16.979 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.828 -7.272 -16.712 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.451 -5.797 -18.586 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.844 -7.339 -19.158 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.683 -7.120 -20.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.412 -8.000 -19.192 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.436 -6.051 -18.296 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.384 -4.973 -19.192 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.472 -6.802 -20.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.699 -5.092 -20.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.025 -5.095 -22.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.534 -4.858 -21.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.953 -6.397 -22.115 1.00 0.00 H new ATOM 569 N SER A 40 -3.557 -5.492 -15.985 1.00 0.00 N ATOM 570 CA SER A 40 -4.513 -4.692 -15.228 1.00 0.00 C ATOM 571 C SER A 40 -4.468 -3.231 -15.668 1.00 0.00 C ATOM 572 O SER A 40 -3.412 -2.710 -16.027 1.00 0.00 O ATOM 573 CB SER A 40 -4.222 -4.794 -13.730 1.00 0.00 C ATOM 574 OG SER A 40 -3.110 -3.992 -13.370 1.00 0.00 O ATOM 0 H SER A 40 -2.648 -5.048 -16.119 1.00 0.00 H new ATOM 0 HA SER A 40 -5.512 -5.082 -15.424 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.099 -4.480 -13.164 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.026 -5.833 -13.464 1.00 0.00 H new ATOM 0 HG SER A 40 -2.946 -4.073 -12.407 1.00 0.00 H new ATOM 580 N THR A 41 -5.624 -2.575 -15.638 1.00 0.00 N ATOM 581 CA THR A 41 -5.718 -1.175 -16.034 1.00 0.00 C ATOM 582 C THR A 41 -5.376 -0.251 -14.871 1.00 0.00 C ATOM 583 O THR A 41 -5.772 -0.496 -13.733 1.00 0.00 O ATOM 584 CB THR A 41 -7.128 -0.832 -16.550 1.00 0.00 C ATOM 585 OG1 THR A 41 -8.103 -1.120 -15.542 1.00 0.00 O ATOM 586 CG2 THR A 41 -7.449 -1.619 -17.812 1.00 0.00 C ATOM 0 H THR A 41 -6.508 -2.991 -15.344 1.00 0.00 H new ATOM 0 HA THR A 41 -4.998 -1.024 -16.838 1.00 0.00 H new ATOM 0 HB THR A 41 -7.155 0.232 -16.787 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.996 -0.897 -15.878 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.450 -1.360 -18.158 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.723 -1.375 -18.587 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.405 -2.687 -17.596 1.00 0.00 H new ATOM 594 N GLY A 42 -4.639 0.816 -15.166 1.00 0.00 N ATOM 595 CA GLY A 42 -4.256 1.762 -14.134 1.00 0.00 C ATOM 596 C GLY A 42 -3.084 2.629 -14.549 1.00 0.00 C ATOM 597 O GLY A 42 -2.057 2.121 -14.999 1.00 0.00 O ATOM 0 H GLY A 42 -4.300 1.042 -16.101 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.108 2.398 -13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.998 1.219 -13.225 1.00 0.00 H new ATOM 601 N ILE A 43 -3.238 3.940 -14.398 1.00 0.00 N ATOM 602 CA ILE A 43 -2.184 4.879 -14.760 1.00 0.00 C ATOM 603 C ILE A 43 -1.043 4.843 -13.748 1.00 0.00 C ATOM 604 O ILE A 43 -1.237 4.553 -12.567 1.00 0.00 O ATOM 605 CB ILE A 43 -2.722 6.319 -14.859 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.337 6.749 -13.525 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.745 6.427 -15.980 1.00 0.00 C ATOM 608 CD1 ILE A 43 -2.348 7.407 -12.588 1.00 0.00 C ATOM 0 H ILE A 43 -4.082 4.376 -14.027 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.810 4.571 -15.737 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.891 6.987 -15.087 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.157 7.440 -13.718 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.765 5.876 -13.033 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.116 7.450 -16.037 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.277 6.157 -16.927 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.576 5.751 -15.780 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.853 7.685 -11.663 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.540 6.711 -12.365 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.938 8.300 -13.060 1.00 0.00 H new ATOM 620 N PRO A 44 0.176 5.144 -14.220 1.00 0.00 N ATOM 621 CA PRO A 44 1.372 5.155 -13.372 1.00 0.00 C ATOM 622 C PRO A 44 1.364 6.308 -12.374 1.00 0.00 C ATOM 623 O PRO A 44 1.578 6.108 -11.179 1.00 0.00 O ATOM 624 CB PRO A 44 2.516 5.323 -14.375 1.00 0.00 C ATOM 625 CG PRO A 44 1.895 6.002 -15.547 1.00 0.00 C ATOM 626 CD PRO A 44 0.480 5.498 -15.616 1.00 0.00 C ATOM 0 HA PRO A 44 1.449 4.254 -12.764 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.326 5.919 -13.955 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.942 4.359 -14.655 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.918 7.085 -15.428 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.437 5.771 -16.464 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.200 6.261 -15.994 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.392 4.636 -16.277 1.00 0.00 H new ATOM 634 N ARG A 45 1.117 7.515 -12.873 1.00 0.00 N ATOM 635 CA ARG A 45 1.083 8.700 -12.025 1.00 0.00 C ATOM 636 C ARG A 45 0.498 9.891 -12.779 1.00 0.00 C ATOM 637 O ARG A 45 0.398 9.874 -14.005 1.00 0.00 O ATOM 638 CB ARG A 45 2.490 9.039 -11.528 1.00 0.00 C ATOM 639 CG ARG A 45 3.494 9.263 -12.647 1.00 0.00 C ATOM 640 CD ARG A 45 4.831 9.747 -12.108 1.00 0.00 C ATOM 641 NE ARG A 45 5.753 10.115 -13.179 1.00 0.00 N ATOM 642 CZ ARG A 45 7.053 10.313 -12.994 1.00 0.00 C ATOM 643 NH1 ARG A 45 7.582 10.178 -11.786 1.00 0.00 N ATOM 644 NH2 ARG A 45 7.827 10.646 -14.019 1.00 0.00 N ATOM 0 H ARG A 45 0.938 7.698 -13.860 1.00 0.00 H new ATOM 0 HA ARG A 45 0.445 8.484 -11.168 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.442 9.936 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.845 8.230 -10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.638 8.334 -13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.098 9.995 -13.351 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.670 10.607 -11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.280 8.964 -11.496 1.00 0.00 H new ATOM 0 HE ARG A 45 5.378 10.226 -14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.990 9.921 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.581 10.331 -11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.424 10.750 -14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.825 10.798 -13.876 1.00 0.00 H new ATOM 658 N SER A 46 0.113 10.924 -12.036 1.00 0.00 N ATOM 659 CA SER A 46 -0.465 12.122 -12.633 1.00 0.00 C ATOM 660 C SER A 46 0.279 13.372 -12.174 1.00 0.00 C ATOM 661 O SER A 46 0.937 13.370 -11.133 1.00 0.00 O ATOM 662 CB SER A 46 -1.947 12.234 -12.267 1.00 0.00 C ATOM 663 OG SER A 46 -2.115 12.446 -10.876 1.00 0.00 O ATOM 0 H SER A 46 0.191 10.955 -11.019 1.00 0.00 H new ATOM 0 HA SER A 46 -0.369 12.041 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.400 13.056 -12.821 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.468 11.324 -12.565 1.00 0.00 H new ATOM 0 HG SER A 46 -2.966 12.056 -10.586 1.00 0.00 H new ATOM 669 N PHE A 47 0.171 14.439 -12.959 1.00 0.00 N ATOM 670 CA PHE A 47 0.835 15.696 -12.635 1.00 0.00 C ATOM 671 C PHE A 47 0.081 16.443 -11.539 1.00 0.00 C ATOM 672 O PHE A 47 0.687 17.016 -10.634 1.00 0.00 O ATOM 673 CB PHE A 47 0.945 16.575 -13.883 1.00 0.00 C ATOM 674 CG PHE A 47 -0.382 16.895 -14.510 1.00 0.00 C ATOM 675 CD1 PHE A 47 -0.961 16.026 -15.421 1.00 0.00 C ATOM 676 CD2 PHE A 47 -1.051 18.065 -14.188 1.00 0.00 C ATOM 677 CE1 PHE A 47 -2.182 16.317 -15.999 1.00 0.00 C ATOM 678 CE2 PHE A 47 -2.273 18.361 -14.763 1.00 0.00 C ATOM 679 CZ PHE A 47 -2.838 17.486 -15.670 1.00 0.00 C ATOM 0 H PHE A 47 -0.370 14.458 -13.824 1.00 0.00 H new ATOM 0 HA PHE A 47 1.836 15.466 -12.271 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.447 17.506 -13.619 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.573 16.072 -14.618 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.452 15.110 -15.682 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.613 18.753 -13.480 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.622 15.631 -16.707 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.785 19.276 -14.503 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.792 17.716 -16.121 1.00 0.00 H new ATOM 689 N MET A 48 -1.245 16.431 -11.627 1.00 0.00 N ATOM 690 CA MET A 48 -2.082 17.106 -10.642 1.00 0.00 C ATOM 691 C MET A 48 -1.689 16.701 -9.225 1.00 0.00 C ATOM 692 O MET A 48 -1.955 17.425 -8.267 1.00 0.00 O ATOM 693 CB MET A 48 -3.557 16.781 -10.887 1.00 0.00 C ATOM 694 CG MET A 48 -3.925 15.342 -10.562 1.00 0.00 C ATOM 695 SD MET A 48 -4.396 15.118 -8.836 1.00 0.00 S ATOM 696 CE MET A 48 -5.258 13.551 -8.921 1.00 0.00 C ATOM 0 H MET A 48 -1.763 15.962 -12.370 1.00 0.00 H new ATOM 0 HA MET A 48 -1.931 18.180 -10.749 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.173 17.450 -10.285 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.796 16.981 -11.931 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.749 15.028 -11.203 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.079 14.694 -10.791 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.611 13.276 -7.927 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.109 13.640 -9.597 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.580 12.782 -9.291 1.00 0.00 H new ATOM 706 N MET A 49 -1.055 15.540 -9.101 1.00 0.00 N ATOM 707 CA MET A 49 -0.624 15.040 -7.801 1.00 0.00 C ATOM 708 C MET A 49 0.318 16.030 -7.122 1.00 0.00 C ATOM 709 O MET A 49 1.359 16.386 -7.673 1.00 0.00 O ATOM 710 CB MET A 49 0.067 13.684 -7.955 1.00 0.00 C ATOM 711 CG MET A 49 -0.091 12.780 -6.743 1.00 0.00 C ATOM 712 SD MET A 49 -0.082 11.030 -7.176 1.00 0.00 S ATOM 713 CE MET A 49 -1.318 10.395 -6.045 1.00 0.00 C ATOM 0 H MET A 49 -0.828 14.928 -9.885 1.00 0.00 H new ATOM 0 HA MET A 49 -1.508 14.920 -7.175 1.00 0.00 H new ATOM 0 HB2 MET A 49 -0.337 13.177 -8.831 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.129 13.846 -8.142 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.716 12.980 -6.038 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.025 13.020 -6.235 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.427 9.320 -6.191 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.007 10.592 -5.019 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.272 10.886 -6.236 1.00 0.00 H new ATOM 723 N GLU A 50 -0.056 16.470 -5.925 1.00 0.00 N ATOM 724 CA GLU A 50 0.757 17.419 -5.173 1.00 0.00 C ATOM 725 C GLU A 50 1.845 16.699 -4.383 1.00 0.00 C ATOM 726 O GLU A 50 2.484 17.284 -3.509 1.00 0.00 O ATOM 727 CB GLU A 50 -0.122 18.236 -4.223 1.00 0.00 C ATOM 728 CG GLU A 50 -0.832 17.395 -3.177 1.00 0.00 C ATOM 729 CD GLU A 50 -1.605 18.235 -2.179 1.00 0.00 C ATOM 730 OE1 GLU A 50 -0.963 18.878 -1.322 1.00 0.00 O ATOM 731 OE2 GLU A 50 -2.851 18.251 -2.254 1.00 0.00 O ATOM 0 H GLU A 50 -0.916 16.185 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 50 1.235 18.092 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.495 18.981 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.866 18.779 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.516 16.706 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.099 16.789 -2.645 1.00 0.00 H new ATOM 738 N VAL A 51 2.051 15.424 -4.698 1.00 0.00 N ATOM 739 CA VAL A 51 3.062 14.622 -4.019 1.00 0.00 C ATOM 740 C VAL A 51 4.377 14.628 -4.790 1.00 0.00 C ATOM 741 O VAL A 51 4.444 14.168 -5.930 1.00 0.00 O ATOM 742 CB VAL A 51 2.594 13.166 -3.836 1.00 0.00 C ATOM 743 CG1 VAL A 51 3.681 12.335 -3.172 1.00 0.00 C ATOM 744 CG2 VAL A 51 1.306 13.118 -3.028 1.00 0.00 C ATOM 0 H VAL A 51 1.531 14.924 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 51 3.217 15.072 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 51 2.395 12.740 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.332 11.309 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.576 12.343 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.915 12.756 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.990 12.082 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.475 13.561 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.529 13.677 -3.549 1.00 0.00 H new ATOM 754 N LYS A 52 5.423 15.152 -4.160 1.00 0.00 N ATOM 755 CA LYS A 52 6.739 15.218 -4.785 1.00 0.00 C ATOM 756 C LYS A 52 7.574 13.993 -4.425 1.00 0.00 C ATOM 757 O LYS A 52 7.789 13.700 -3.248 1.00 0.00 O ATOM 758 CB LYS A 52 7.469 16.491 -4.352 1.00 0.00 C ATOM 759 CG LYS A 52 8.439 17.020 -5.394 1.00 0.00 C ATOM 760 CD LYS A 52 9.696 16.170 -5.469 1.00 0.00 C ATOM 761 CE LYS A 52 10.356 16.271 -6.836 1.00 0.00 C ATOM 762 NZ LYS A 52 9.535 15.625 -7.897 1.00 0.00 N ATOM 0 H LYS A 52 5.385 15.537 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 52 6.600 15.236 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.733 17.263 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.013 16.292 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.952 17.038 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.708 18.048 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.399 16.490 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.446 15.130 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.513 17.320 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.339 15.801 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.142 15.379 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.096 14.762 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.792 16.283 -8.210 1.00 0.00 H new ATOM 776 N ASP A 53 8.043 13.282 -5.444 1.00 0.00 N ATOM 777 CA ASP A 53 8.856 12.090 -5.235 1.00 0.00 C ATOM 778 C ASP A 53 10.335 12.452 -5.135 1.00 0.00 C ATOM 779 O ASP A 53 10.828 13.347 -5.821 1.00 0.00 O ATOM 780 CB ASP A 53 8.639 11.092 -6.373 1.00 0.00 C ATOM 781 CG ASP A 53 7.197 11.048 -6.838 1.00 0.00 C ATOM 782 OD1 ASP A 53 6.732 12.048 -7.426 1.00 0.00 O ATOM 783 OD2 ASP A 53 6.533 10.015 -6.615 1.00 0.00 O ATOM 0 H ASP A 53 7.874 13.511 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 53 8.548 11.631 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.280 11.358 -7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.942 10.098 -6.043 1.00 0.00 H new ATOM 788 N PRO A 54 11.060 11.742 -4.258 1.00 0.00 N ATOM 789 CA PRO A 54 12.493 11.971 -4.047 1.00 0.00 C ATOM 790 C PRO A 54 13.332 11.536 -5.243 1.00 0.00 C ATOM 791 O PRO A 54 14.559 11.626 -5.218 1.00 0.00 O ATOM 792 CB PRO A 54 12.814 11.105 -2.826 1.00 0.00 C ATOM 793 CG PRO A 54 11.782 10.031 -2.840 1.00 0.00 C ATOM 794 CD PRO A 54 10.538 10.660 -3.407 1.00 0.00 C ATOM 0 HA PRO A 54 12.721 13.028 -3.910 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.819 10.689 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.767 11.686 -1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.105 9.187 -3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.603 9.649 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.952 9.943 -3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.888 11.045 -2.621 1.00 0.00 H new ATOM 802 N ASN A 55 12.662 11.065 -6.290 1.00 0.00 N ATOM 803 CA ASN A 55 13.348 10.616 -7.497 1.00 0.00 C ATOM 804 C ASN A 55 14.295 11.693 -8.017 1.00 0.00 C ATOM 805 O ASN A 55 13.831 12.751 -8.439 1.00 0.00 O ATOM 806 CB ASN A 55 12.331 10.250 -8.580 1.00 0.00 C ATOM 807 CG ASN A 55 12.994 9.843 -9.882 1.00 0.00 C ATOM 808 OD1 ASN A 55 13.999 9.133 -9.884 1.00 0.00 O ATOM 809 ND2 ASN A 55 12.432 10.295 -10.997 1.00 0.00 N ATOM 0 H ASN A 55 11.646 10.984 -6.327 1.00 0.00 H new ATOM 0 HA ASN A 55 13.934 9.733 -7.244 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.703 9.433 -8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.674 11.101 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.834 10.056 -11.904 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.599 10.881 -10.947 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -10.909 -10.909 -8.627 1.00 0.00 ZN