USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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 Single : A 3 SER OG : rot 28:sc= 0.165 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= 0.403 (180deg=0.299) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 170:sc= -0.72 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc=-9.74e-05 (180deg=-0.934) USER MOD Single : A 12 THR OG1 : rot 136:sc= 1.52 USER MOD Single : A 13 TYR OH : rot -112:sc= 0.702 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.17) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 1.15 (180deg=1.01) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0328 (180deg=-0.243) USER MOD Single : A 33 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.53) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 38 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-9.9e-05) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= -0.722 (180deg=-0.733) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -31:sc= 0.179 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 7.218 1.939 2.200 1.00 0.00 N ATOM 19 CA SER A 3 8.566 2.494 2.235 1.00 0.00 C ATOM 20 C SER A 3 9.315 2.025 3.478 1.00 0.00 C ATOM 21 O SER A 3 8.918 2.319 4.606 1.00 0.00 O ATOM 22 CB SER A 3 8.512 4.022 2.205 1.00 0.00 C ATOM 23 OG SER A 3 7.727 4.483 1.118 1.00 0.00 O ATOM 0 HA SER A 3 9.101 2.139 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.096 4.393 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.522 4.423 2.124 1.00 0.00 H new ATOM 0 HG SER A 3 7.048 3.812 0.897 1.00 0.00 H new ATOM 29 N LYS A 4 10.403 1.292 3.265 1.00 0.00 N ATOM 30 CA LYS A 4 11.211 0.782 4.366 1.00 0.00 C ATOM 31 C LYS A 4 12.505 0.160 3.850 1.00 0.00 C ATOM 32 O LYS A 4 12.605 -0.204 2.678 1.00 0.00 O ATOM 33 CB LYS A 4 10.420 -0.253 5.169 1.00 0.00 C ATOM 34 CG LYS A 4 10.239 0.120 6.631 1.00 0.00 C ATOM 35 CD LYS A 4 11.526 -0.066 7.417 1.00 0.00 C ATOM 36 CE LYS A 4 12.189 1.268 7.724 1.00 0.00 C ATOM 37 NZ LYS A 4 13.448 1.096 8.499 1.00 0.00 N ATOM 0 H LYS A 4 10.746 1.038 2.338 1.00 0.00 H new ATOM 0 HA LYS A 4 11.465 1.620 5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.439 -0.383 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.930 -1.215 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.913 1.157 6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.452 -0.494 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.312 -0.590 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.213 -0.693 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.405 1.789 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.499 1.896 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.869 2.028 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.239 0.621 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.117 0.518 7.951 1.00 0.00 H new ATOM 51 N LEU A 5 13.491 0.041 4.731 1.00 0.00 N ATOM 52 CA LEU A 5 14.779 -0.539 4.365 1.00 0.00 C ATOM 53 C LEU A 5 14.773 -2.051 4.569 1.00 0.00 C ATOM 54 O LEU A 5 14.040 -2.572 5.410 1.00 0.00 O ATOM 55 CB LEU A 5 15.899 0.094 5.191 1.00 0.00 C ATOM 56 CG LEU A 5 16.900 0.954 4.418 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.543 2.427 4.539 1.00 0.00 C ATOM 58 CD2 LEU A 5 18.316 0.703 4.916 1.00 0.00 C ATOM 0 H LEU A 5 13.424 0.338 5.704 1.00 0.00 H new ATOM 0 HA LEU A 5 14.955 -0.334 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.446 0.709 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.447 -0.703 5.694 1.00 0.00 H new ATOM 0 HG LEU A 5 16.853 0.675 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 5 17.266 3.024 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.545 2.594 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.561 2.721 5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 5 19.014 1.323 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.379 0.953 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.570 -0.348 4.776 1.00 0.00 H new ATOM 70 N CYS A 6 15.596 -2.750 3.795 1.00 0.00 N ATOM 71 CA CYS A 6 15.689 -4.202 3.891 1.00 0.00 C ATOM 72 C CYS A 6 17.104 -4.633 4.266 1.00 0.00 C ATOM 73 O CYS A 6 18.078 -3.962 3.927 1.00 0.00 O ATOM 74 CB CYS A 6 15.280 -4.849 2.566 1.00 0.00 C ATOM 75 SG CYS A 6 13.480 -4.922 2.299 1.00 0.00 S ATOM 0 H CYS A 6 16.209 -2.334 3.094 1.00 0.00 H new ATOM 0 HA CYS A 6 15.008 -4.534 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.736 -4.293 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.684 -5.861 2.528 1.00 0.00 H new ATOM 80 N GLU A 7 17.207 -5.759 4.966 1.00 0.00 N ATOM 81 CA GLU A 7 18.503 -6.279 5.386 1.00 0.00 C ATOM 82 C GLU A 7 18.634 -7.759 5.039 1.00 0.00 C ATOM 83 O GLU A 7 17.701 -8.539 5.233 1.00 0.00 O ATOM 84 CB GLU A 7 18.694 -6.078 6.891 1.00 0.00 C ATOM 85 CG GLU A 7 17.775 -6.938 7.742 1.00 0.00 C ATOM 86 CD GLU A 7 18.014 -6.755 9.228 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.185 -6.834 9.655 1.00 0.00 O ATOM 88 OE2 GLU A 7 17.030 -6.533 9.964 1.00 0.00 O ATOM 0 H GLU A 7 16.410 -6.327 5.253 1.00 0.00 H new ATOM 0 HA GLU A 7 19.277 -5.729 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.729 -6.301 7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.523 -5.029 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.738 -6.693 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.920 -7.986 7.481 1.00 0.00 H new ATOM 95 N LYS A 8 19.798 -8.140 4.524 1.00 0.00 N ATOM 96 CA LYS A 8 20.053 -9.525 4.149 1.00 0.00 C ATOM 97 C LYS A 8 21.223 -10.097 4.944 1.00 0.00 C ATOM 98 O LYS A 8 22.096 -9.360 5.401 1.00 0.00 O ATOM 99 CB LYS A 8 20.344 -9.625 2.650 1.00 0.00 C ATOM 100 CG LYS A 8 21.077 -8.418 2.092 1.00 0.00 C ATOM 101 CD LYS A 8 20.112 -7.403 1.501 1.00 0.00 C ATOM 102 CE LYS A 8 20.207 -7.363 -0.017 1.00 0.00 C ATOM 103 NZ LYS A 8 19.088 -8.104 -0.662 1.00 0.00 N ATOM 0 H LYS A 8 20.581 -7.508 4.357 1.00 0.00 H new ATOM 0 HA LYS A 8 19.161 -10.107 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.938 -10.519 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.404 -9.749 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.661 -7.948 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.781 -8.741 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.093 -7.653 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.328 -6.415 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.198 -6.327 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.157 -7.793 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.234 -8.126 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.059 -9.077 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.188 -7.627 -0.450 1.00 0.00 H new ATOM 117 N THR A 9 21.234 -11.417 5.105 1.00 0.00 N ATOM 118 CA THR A 9 22.297 -12.088 5.844 1.00 0.00 C ATOM 119 C THR A 9 23.084 -13.030 4.941 1.00 0.00 C ATOM 120 O THR A 9 23.431 -14.142 5.340 1.00 0.00 O ATOM 121 CB THR A 9 21.734 -12.886 7.035 1.00 0.00 C ATOM 122 OG1 THR A 9 20.551 -12.254 7.534 1.00 0.00 O ATOM 123 CG2 THR A 9 22.765 -12.995 8.148 1.00 0.00 C ATOM 0 H THR A 9 20.519 -12.042 4.734 1.00 0.00 H new ATOM 0 HA THR A 9 22.962 -11.310 6.219 1.00 0.00 H new ATOM 0 HB THR A 9 21.489 -13.890 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.199 -12.769 8.290 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.345 -13.563 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.653 -13.504 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.037 -11.997 8.491 1.00 0.00 H new ATOM 131 N SER A 10 23.364 -12.579 3.723 1.00 0.00 N ATOM 132 CA SER A 10 24.109 -13.384 2.762 1.00 0.00 C ATOM 133 C SER A 10 23.338 -14.650 2.400 1.00 0.00 C ATOM 134 O SER A 10 22.747 -15.299 3.263 1.00 0.00 O ATOM 135 CB SER A 10 25.481 -13.753 3.328 1.00 0.00 C ATOM 136 OG SER A 10 26.138 -14.696 2.499 1.00 0.00 O ATOM 0 H SER A 10 23.086 -11.660 3.378 1.00 0.00 H new ATOM 0 HA SER A 10 24.245 -12.791 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.093 -12.856 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.366 -14.164 4.331 1.00 0.00 H new ATOM 0 HG SER A 10 27.069 -14.794 2.789 1.00 0.00 H new ATOM 142 N LYS A 11 23.348 -14.995 1.117 1.00 0.00 N ATOM 143 CA LYS A 11 22.652 -16.184 0.639 1.00 0.00 C ATOM 144 C LYS A 11 23.366 -16.784 -0.568 1.00 0.00 C ATOM 145 O LYS A 11 23.497 -18.003 -0.682 1.00 0.00 O ATOM 146 CB LYS A 11 21.207 -15.840 0.270 1.00 0.00 C ATOM 147 CG LYS A 11 20.356 -15.432 1.460 1.00 0.00 C ATOM 148 CD LYS A 11 20.379 -13.927 1.673 1.00 0.00 C ATOM 149 CE LYS A 11 19.304 -13.232 0.852 1.00 0.00 C ATOM 150 NZ LYS A 11 18.447 -12.352 1.693 1.00 0.00 N ATOM 0 H LYS A 11 23.831 -14.468 0.389 1.00 0.00 H new ATOM 0 HA LYS A 11 22.651 -16.921 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 11 21.210 -15.029 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.749 -16.703 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.329 -15.763 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.720 -15.933 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.231 -13.706 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 11 21.358 -13.535 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.773 -12.639 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.683 -13.980 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.088 -11.564 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.647 -12.901 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.007 -11.975 2.484 1.00 0.00 H new ATOM 164 N THR A 12 23.829 -15.920 -1.466 1.00 0.00 N ATOM 165 CA THR A 12 24.530 -16.365 -2.664 1.00 0.00 C ATOM 166 C THR A 12 26.008 -15.993 -2.606 1.00 0.00 C ATOM 167 O THR A 12 26.784 -16.354 -3.491 1.00 0.00 O ATOM 168 CB THR A 12 23.910 -15.759 -3.936 1.00 0.00 C ATOM 169 OG1 THR A 12 24.424 -14.440 -4.152 1.00 0.00 O ATOM 170 CG2 THR A 12 22.393 -15.706 -3.826 1.00 0.00 C ATOM 0 H THR A 12 23.731 -14.908 -1.386 1.00 0.00 H new ATOM 0 HA THR A 12 24.432 -17.450 -2.703 1.00 0.00 H new ATOM 0 HB THR A 12 24.176 -16.394 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.647 -14.327 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.977 -15.274 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.002 -16.715 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 12 22.111 -15.091 -2.971 1.00 0.00 H new ATOM 178 N TYR A 13 26.390 -15.271 -1.559 1.00 0.00 N ATOM 179 CA TYR A 13 27.775 -14.848 -1.386 1.00 0.00 C ATOM 180 C TYR A 13 28.720 -16.044 -1.441 1.00 0.00 C ATOM 181 O TYR A 13 29.402 -16.266 -2.442 1.00 0.00 O ATOM 182 CB TYR A 13 27.944 -14.111 -0.057 1.00 0.00 C ATOM 183 CG TYR A 13 29.366 -13.681 0.221 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.009 -12.765 -0.604 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.068 -14.190 1.306 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.309 -12.370 -0.355 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.368 -13.799 1.564 1.00 0.00 C ATOM 188 CZ TYR A 13 31.984 -12.889 0.730 1.00 0.00 C ATOM 189 OH TYR A 13 33.279 -12.498 0.983 1.00 0.00 O ATOM 0 H TYR A 13 25.760 -14.966 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 13 28.026 -14.171 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.300 -13.231 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.604 -14.757 0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.483 -12.355 -1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.589 -14.904 1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.794 -11.658 -1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 13 31.899 -14.203 2.413 1.00 0.00 H new ATOM 0 HH TYR A 13 33.884 -13.254 0.833 1.00 0.00 H new ATOM 199 N SER A 14 28.755 -16.813 -0.357 1.00 0.00 N ATOM 200 CA SER A 14 29.618 -17.985 -0.279 1.00 0.00 C ATOM 201 C SER A 14 31.064 -17.618 -0.600 1.00 0.00 C ATOM 202 O SER A 14 31.395 -16.445 -0.770 1.00 0.00 O ATOM 203 CB SER A 14 29.130 -19.070 -1.242 1.00 0.00 C ATOM 204 OG SER A 14 27.715 -19.087 -1.315 1.00 0.00 O ATOM 0 H SER A 14 28.195 -16.645 0.479 1.00 0.00 H new ATOM 0 HA SER A 14 29.576 -18.368 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 14 29.547 -18.895 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 14 29.492 -20.044 -0.912 1.00 0.00 H new ATOM 0 HG SER A 14 27.428 -19.787 -1.938 1.00 0.00 H new ATOM 210 N GLY A 15 31.922 -18.631 -0.680 1.00 0.00 N ATOM 211 CA GLY A 15 33.322 -18.395 -0.980 1.00 0.00 C ATOM 212 C GLY A 15 34.093 -17.879 0.219 1.00 0.00 C ATOM 213 O GLY A 15 33.822 -18.270 1.355 1.00 0.00 O ATOM 0 H GLY A 15 31.672 -19.610 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.777 -19.322 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.399 -17.675 -1.795 1.00 0.00 H new ATOM 217 N LYS A 16 35.057 -17.001 -0.032 1.00 0.00 N ATOM 218 CA LYS A 16 35.870 -16.430 1.035 1.00 0.00 C ATOM 219 C LYS A 16 35.161 -15.248 1.687 1.00 0.00 C ATOM 220 O LYS A 16 34.007 -14.953 1.373 1.00 0.00 O ATOM 221 CB LYS A 16 37.228 -15.985 0.487 1.00 0.00 C ATOM 222 CG LYS A 16 38.407 -16.677 1.148 1.00 0.00 C ATOM 223 CD LYS A 16 39.358 -15.675 1.782 1.00 0.00 C ATOM 224 CE LYS A 16 40.811 -16.065 1.556 1.00 0.00 C ATOM 225 NZ LYS A 16 41.618 -15.942 2.801 1.00 0.00 N ATOM 0 H LYS A 16 35.295 -16.669 -0.967 1.00 0.00 H new ATOM 0 HA LYS A 16 36.025 -17.200 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.259 -16.178 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.329 -14.908 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 16 38.045 -17.368 1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 16 38.943 -17.271 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.177 -14.685 1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 16 39.160 -15.610 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.859 -17.091 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 16 41.241 -15.431 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 42.602 -16.217 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 41.593 -14.957 3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 41.223 -16.566 3.534 1.00 0.00 H new ATOM 239 N CYS A 17 35.858 -14.573 2.595 1.00 0.00 N ATOM 240 CA CYS A 17 35.296 -13.422 3.291 1.00 0.00 C ATOM 241 C CYS A 17 36.167 -12.185 3.087 1.00 0.00 C ATOM 242 O CYS A 17 37.263 -12.088 3.638 1.00 0.00 O ATOM 243 CB CYS A 17 35.156 -13.721 4.785 1.00 0.00 C ATOM 244 SG CYS A 17 34.676 -12.279 5.789 1.00 0.00 S ATOM 0 H CYS A 17 36.814 -14.804 2.866 1.00 0.00 H new ATOM 0 HA CYS A 17 34.309 -13.223 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.413 -14.507 4.919 1.00 0.00 H new ATOM 0 HB3 CYS A 17 36.104 -14.110 5.157 1.00 0.00 H new ATOM 249 N ASP A 18 35.670 -11.243 2.294 1.00 0.00 N ATOM 250 CA ASP A 18 36.401 -10.011 2.018 1.00 0.00 C ATOM 251 C ASP A 18 35.485 -8.797 2.138 1.00 0.00 C ATOM 252 O ASP A 18 34.283 -8.934 2.359 1.00 0.00 O ATOM 253 CB ASP A 18 37.021 -10.063 0.621 1.00 0.00 C ATOM 254 CG ASP A 18 38.520 -9.835 0.643 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.940 -8.677 0.850 1.00 0.00 O ATOM 256 OD2 ASP A 18 39.272 -10.813 0.453 1.00 0.00 O ATOM 0 H ASP A 18 34.764 -11.308 1.831 1.00 0.00 H new ATOM 0 HA ASP A 18 37.197 -9.916 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.811 -11.032 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.551 -9.309 -0.010 1.00 0.00 H new ATOM 261 N ASN A 19 36.064 -7.610 1.992 1.00 0.00 N ATOM 262 CA ASN A 19 35.299 -6.371 2.085 1.00 0.00 C ATOM 263 C ASN A 19 34.667 -6.019 0.742 1.00 0.00 C ATOM 264 O ASN A 19 33.461 -6.177 0.551 1.00 0.00 O ATOM 265 CB ASN A 19 36.200 -5.226 2.552 1.00 0.00 C ATOM 266 CG ASN A 19 35.591 -3.864 2.282 1.00 0.00 C ATOM 267 OD1 ASN A 19 34.553 -3.513 2.843 1.00 0.00 O ATOM 268 ND2 ASN A 19 36.236 -3.088 1.418 1.00 0.00 N ATOM 0 H ASN A 19 37.059 -7.479 1.809 1.00 0.00 H new ATOM 0 HA ASN A 19 34.502 -6.519 2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.391 -5.330 3.620 1.00 0.00 H new ATOM 0 HB3 ASN A 19 37.164 -5.297 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.874 -2.161 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 19 37.093 -3.420 0.976 1.00 0.00 H new ATOM 275 N LYS A 20 35.489 -5.542 -0.186 1.00 0.00 N ATOM 276 CA LYS A 20 35.012 -5.169 -1.513 1.00 0.00 C ATOM 277 C LYS A 20 34.287 -6.335 -2.178 1.00 0.00 C ATOM 278 O LYS A 20 33.269 -6.149 -2.844 1.00 0.00 O ATOM 279 CB LYS A 20 36.181 -4.715 -2.389 1.00 0.00 C ATOM 280 CG LYS A 20 35.786 -3.710 -3.457 1.00 0.00 C ATOM 281 CD LYS A 20 36.077 -4.237 -4.853 1.00 0.00 C ATOM 282 CE LYS A 20 35.070 -3.716 -5.866 1.00 0.00 C ATOM 283 NZ LYS A 20 35.400 -2.336 -6.318 1.00 0.00 N ATOM 0 H LYS A 20 36.490 -5.404 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 20 34.309 -4.344 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.950 -4.275 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.625 -5.587 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.724 -3.481 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.328 -2.777 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 20 37.082 -3.941 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 20 36.055 -5.327 -4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 20 35.043 -4.383 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 20 34.073 -3.725 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 34.690 -2.017 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.401 -1.694 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 36.340 -2.332 -6.762 1.00 0.00 H new ATOM 297 N LYS A 21 34.819 -7.539 -1.993 1.00 0.00 N ATOM 298 CA LYS A 21 34.222 -8.737 -2.572 1.00 0.00 C ATOM 299 C LYS A 21 32.804 -8.944 -2.052 1.00 0.00 C ATOM 300 O LYS A 21 31.897 -9.289 -2.811 1.00 0.00 O ATOM 301 CB LYS A 21 35.079 -9.964 -2.252 1.00 0.00 C ATOM 302 CG LYS A 21 36.477 -9.901 -2.843 1.00 0.00 C ATOM 303 CD LYS A 21 36.437 -9.718 -4.351 1.00 0.00 C ATOM 304 CE LYS A 21 36.556 -8.251 -4.737 1.00 0.00 C ATOM 305 NZ LYS A 21 37.742 -7.999 -5.601 1.00 0.00 N ATOM 0 H LYS A 21 35.663 -7.711 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 21 34.177 -8.605 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.156 -10.071 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.576 -10.856 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 21 37.028 -9.077 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 21 37.017 -10.816 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 21 37.249 -10.283 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.505 -10.124 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.652 -7.939 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.628 -7.643 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.788 -6.988 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.607 -8.273 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.661 -8.560 -6.473 1.00 0.00 H new ATOM 319 N CYS A 22 32.617 -8.731 -0.754 1.00 0.00 N ATOM 320 CA CYS A 22 31.309 -8.894 -0.131 1.00 0.00 C ATOM 321 C CYS A 22 30.364 -7.772 -0.552 1.00 0.00 C ATOM 322 O CYS A 22 29.274 -8.025 -1.067 1.00 0.00 O ATOM 323 CB CYS A 22 31.445 -8.916 1.392 1.00 0.00 C ATOM 324 SG CYS A 22 29.855 -8.981 2.280 1.00 0.00 S ATOM 0 H CYS A 22 33.356 -8.445 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 22 30.891 -9.844 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.045 -9.779 1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.991 -8.028 1.710 1.00 0.00 H new ATOM 329 N ASP A 23 30.789 -6.533 -0.330 1.00 0.00 N ATOM 330 CA ASP A 23 29.981 -5.372 -0.687 1.00 0.00 C ATOM 331 C ASP A 23 29.560 -5.433 -2.152 1.00 0.00 C ATOM 332 O ASP A 23 28.389 -5.242 -2.481 1.00 0.00 O ATOM 333 CB ASP A 23 30.759 -4.083 -0.420 1.00 0.00 C ATOM 334 CG ASP A 23 29.850 -2.876 -0.290 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.616 -3.050 -0.368 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.374 -1.757 -0.109 1.00 0.00 O ATOM 0 H ASP A 23 31.688 -6.307 0.095 1.00 0.00 H new ATOM 0 HA ASP A 23 29.083 -5.380 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.341 -4.196 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.468 -3.915 -1.231 1.00 0.00 H new ATOM 341 N LYS A 24 30.522 -5.699 -3.028 1.00 0.00 N ATOM 342 CA LYS A 24 30.252 -5.786 -4.459 1.00 0.00 C ATOM 343 C LYS A 24 29.323 -6.955 -4.768 1.00 0.00 C ATOM 344 O LYS A 24 28.371 -6.819 -5.536 1.00 0.00 O ATOM 345 CB LYS A 24 31.561 -5.941 -5.237 1.00 0.00 C ATOM 346 CG LYS A 24 31.360 -6.309 -6.697 1.00 0.00 C ATOM 347 CD LYS A 24 32.687 -6.433 -7.428 1.00 0.00 C ATOM 348 CE LYS A 24 32.561 -7.306 -8.667 1.00 0.00 C ATOM 349 NZ LYS A 24 33.890 -7.631 -9.254 1.00 0.00 N ATOM 0 H LYS A 24 31.497 -5.858 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 24 29.760 -4.863 -4.767 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.121 -5.007 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.170 -6.708 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.817 -7.252 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.745 -5.551 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.040 -5.442 -7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.435 -6.857 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.042 -8.229 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.951 -6.794 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.761 -8.227 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.375 -6.751 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.464 -8.142 -8.553 1.00 0.00 H new ATOM 363 N LYS A 25 29.605 -8.104 -4.163 1.00 0.00 N ATOM 364 CA LYS A 25 28.793 -9.298 -4.371 1.00 0.00 C ATOM 365 C LYS A 25 27.361 -9.070 -3.900 1.00 0.00 C ATOM 366 O LYS A 25 26.435 -9.749 -4.344 1.00 0.00 O ATOM 367 CB LYS A 25 29.402 -10.489 -3.629 1.00 0.00 C ATOM 368 CG LYS A 25 28.665 -11.796 -3.867 1.00 0.00 C ATOM 369 CD LYS A 25 29.614 -12.900 -4.303 1.00 0.00 C ATOM 370 CE LYS A 25 28.950 -13.847 -5.291 1.00 0.00 C ATOM 371 NZ LYS A 25 29.380 -15.257 -5.081 1.00 0.00 N ATOM 0 H LYS A 25 30.390 -8.234 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 25 28.775 -9.514 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.441 -10.606 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.409 -10.275 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.151 -12.096 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 25 27.900 -11.650 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.501 -12.460 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.949 -13.460 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.867 -13.778 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 25 29.194 -13.540 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 28.743 -15.895 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 30.352 -15.379 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 29.345 -15.483 -4.066 1.00 0.00 H new ATOM 385 N CYS A 26 27.185 -8.110 -2.998 1.00 0.00 N ATOM 386 CA CYS A 26 25.865 -7.792 -2.466 1.00 0.00 C ATOM 387 C CYS A 26 25.037 -7.021 -3.491 1.00 0.00 C ATOM 388 O CYS A 26 23.901 -7.389 -3.789 1.00 0.00 O ATOM 389 CB CYS A 26 25.994 -6.974 -1.180 1.00 0.00 C ATOM 390 SG CYS A 26 26.258 -7.979 0.316 1.00 0.00 S ATOM 0 H CYS A 26 27.941 -7.538 -2.620 1.00 0.00 H new ATOM 0 HA CYS A 26 25.355 -8.729 -2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.825 -6.276 -1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.091 -6.377 -1.049 1.00 0.00 H new ATOM 395 N ILE A 27 25.616 -5.951 -4.026 1.00 0.00 N ATOM 396 CA ILE A 27 24.933 -5.130 -5.018 1.00 0.00 C ATOM 397 C ILE A 27 24.940 -5.801 -6.387 1.00 0.00 C ATOM 398 O ILE A 27 24.169 -5.434 -7.273 1.00 0.00 O ATOM 399 CB ILE A 27 25.580 -3.737 -5.138 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.813 -3.137 -3.750 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.708 -2.818 -5.979 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.266 -2.839 -3.456 1.00 0.00 C ATOM 0 H ILE A 27 26.556 -5.633 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 27 23.904 -5.016 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 27 26.545 -3.843 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.236 -2.216 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.432 -3.827 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.179 -1.838 -6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.590 -3.241 -6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.729 -2.715 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.355 -2.416 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.845 -3.761 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.646 -2.125 -4.187 1.00 0.00 H new ATOM 414 N GLU A 28 25.815 -6.788 -6.551 1.00 0.00 N ATOM 415 CA GLU A 28 25.922 -7.512 -7.813 1.00 0.00 C ATOM 416 C GLU A 28 24.873 -8.617 -7.896 1.00 0.00 C ATOM 417 O GLU A 28 24.237 -8.807 -8.933 1.00 0.00 O ATOM 418 CB GLU A 28 27.322 -8.109 -7.967 1.00 0.00 C ATOM 419 CG GLU A 28 28.348 -7.125 -8.502 1.00 0.00 C ATOM 420 CD GLU A 28 28.745 -7.417 -9.936 1.00 0.00 C ATOM 421 OE1 GLU A 28 29.461 -8.414 -10.162 1.00 0.00 O ATOM 422 OE2 GLU A 28 28.339 -6.648 -10.833 1.00 0.00 O ATOM 0 H GLU A 28 26.460 -7.105 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 28 25.746 -6.806 -8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.658 -8.481 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.270 -8.967 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.944 -6.115 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.236 -7.153 -7.870 1.00 0.00 H new ATOM 429 N TRP A 29 24.699 -9.343 -6.798 1.00 0.00 N ATOM 430 CA TRP A 29 23.728 -10.430 -6.746 1.00 0.00 C ATOM 431 C TRP A 29 22.478 -10.008 -5.982 1.00 0.00 C ATOM 432 O TRP A 29 21.359 -10.171 -6.467 1.00 0.00 O ATOM 433 CB TRP A 29 24.349 -11.665 -6.091 1.00 0.00 C ATOM 434 CG TRP A 29 25.195 -12.472 -7.028 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.287 -12.040 -7.725 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.017 -13.851 -7.372 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.798 -13.067 -8.482 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.038 -14.189 -8.282 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.096 -14.833 -6.998 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.160 -15.466 -8.822 1.00 0.00 C ATOM 441 CZ3 TRP A 29 24.218 -16.100 -7.536 1.00 0.00 C ATOM 442 CH2 TRP A 29 25.244 -16.408 -8.439 1.00 0.00 C ATOM 0 H TRP A 29 25.218 -9.199 -5.932 1.00 0.00 H new ATOM 0 HA TRP A 29 23.440 -10.676 -7.768 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.957 -11.351 -5.243 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.553 -12.297 -5.696 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.690 -11.039 -7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.612 -13.004 -9.094 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.303 -14.606 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 26.950 -15.705 -9.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 23.510 -16.866 -7.256 1.00 0.00 H new ATOM 0 HH2 TRP A 29 25.313 -17.408 -8.841 1.00 0.00 H new ATOM 453 N GLU A 30 22.677 -9.465 -4.784 1.00 0.00 N ATOM 454 CA GLU A 30 21.564 -9.021 -3.954 1.00 0.00 C ATOM 455 C GLU A 30 21.127 -7.610 -4.339 1.00 0.00 C ATOM 456 O GLU A 30 20.160 -7.076 -3.794 1.00 0.00 O ATOM 457 CB GLU A 30 21.954 -9.060 -2.475 1.00 0.00 C ATOM 458 CG GLU A 30 22.767 -10.286 -2.092 1.00 0.00 C ATOM 459 CD GLU A 30 22.954 -10.417 -0.593 1.00 0.00 C ATOM 460 OE1 GLU A 30 21.957 -10.685 0.109 1.00 0.00 O ATOM 461 OE2 GLU A 30 24.099 -10.252 -0.123 1.00 0.00 O ATOM 0 H GLU A 30 23.597 -9.323 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 30 20.728 -9.700 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.528 -8.165 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.049 -9.031 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.271 -11.179 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 30 23.744 -10.234 -2.573 1.00 0.00 H new ATOM 468 N LYS A 31 21.847 -7.011 -5.281 1.00 0.00 N ATOM 469 CA LYS A 31 21.535 -5.663 -5.741 1.00 0.00 C ATOM 470 C LYS A 31 21.247 -4.739 -4.562 1.00 0.00 C ATOM 471 O LYS A 31 20.411 -3.841 -4.656 1.00 0.00 O ATOM 472 CB LYS A 31 20.333 -5.690 -6.688 1.00 0.00 C ATOM 473 CG LYS A 31 20.413 -6.781 -7.741 1.00 0.00 C ATOM 474 CD LYS A 31 21.744 -6.754 -8.473 1.00 0.00 C ATOM 475 CE LYS A 31 21.975 -5.417 -9.161 1.00 0.00 C ATOM 476 NZ LYS A 31 20.843 -5.051 -10.056 1.00 0.00 N ATOM 0 H LYS A 31 22.651 -7.438 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 31 22.403 -5.279 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.423 -5.827 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.250 -4.723 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.276 -7.754 -7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.601 -6.657 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.552 -6.946 -7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.770 -7.554 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.109 -4.640 -8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.897 -5.462 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.120 -4.248 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.599 -5.864 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.018 -4.785 -9.481 1.00 0.00 H new ATOM 490 N ALA A 32 21.944 -4.965 -3.454 1.00 0.00 N ATOM 491 CA ALA A 32 21.765 -4.151 -2.259 1.00 0.00 C ATOM 492 C ALA A 32 22.495 -2.818 -2.388 1.00 0.00 C ATOM 493 O ALA A 32 22.994 -2.476 -3.459 1.00 0.00 O ATOM 494 CB ALA A 32 22.251 -4.904 -1.029 1.00 0.00 C ATOM 0 H ALA A 32 22.639 -5.706 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 32 20.701 -3.943 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.111 -4.284 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.682 -5.827 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.309 -5.141 -1.142 1.00 0.00 H new ATOM 500 N GLN A 33 22.553 -2.072 -1.290 1.00 0.00 N ATOM 501 CA GLN A 33 23.222 -0.776 -1.282 1.00 0.00 C ATOM 502 C GLN A 33 24.580 -0.868 -0.593 1.00 0.00 C ATOM 503 O GLN A 33 25.564 -0.294 -1.060 1.00 0.00 O ATOM 504 CB GLN A 33 22.350 0.267 -0.580 1.00 0.00 C ATOM 505 CG GLN A 33 21.419 1.014 -1.520 1.00 0.00 C ATOM 506 CD GLN A 33 21.052 2.392 -1.005 1.00 0.00 C ATOM 507 OE1 GLN A 33 20.424 2.528 0.046 1.00 0.00 O ATOM 508 NE2 GLN A 33 21.443 3.424 -1.744 1.00 0.00 N ATOM 0 H GLN A 33 22.145 -2.342 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 33 23.380 -0.471 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.756 -0.227 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.994 0.986 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.895 1.110 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.510 0.430 -1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.961 3.265 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 33 21.225 4.375 -1.448 1.00 0.00 H new ATOM 517 N HIS A 34 24.626 -1.594 0.519 1.00 0.00 N ATOM 518 CA HIS A 34 25.864 -1.761 1.272 1.00 0.00 C ATOM 519 C HIS A 34 25.927 -3.145 1.912 1.00 0.00 C ATOM 520 O HIS A 34 24.913 -3.682 2.356 1.00 0.00 O ATOM 521 CB HIS A 34 25.980 -0.683 2.350 1.00 0.00 C ATOM 522 CG HIS A 34 27.382 -0.460 2.825 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.017 -1.299 3.716 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.274 0.514 2.527 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.238 -0.850 3.947 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.419 0.249 3.237 1.00 0.00 N ATOM 0 H HIS A 34 23.821 -2.076 0.919 1.00 0.00 H new ATOM 0 HA HIS A 34 26.699 -1.661 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.584 0.254 1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.357 -0.962 3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.115 1.345 1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 34 29.964 -1.304 4.604 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.271 0.810 3.219 1.00 0.00 H new ATOM 534 N GLY A 35 27.127 -3.718 1.955 1.00 0.00 N ATOM 535 CA GLY A 35 27.300 -5.034 2.541 1.00 0.00 C ATOM 536 C GLY A 35 28.601 -5.159 3.309 1.00 0.00 C ATOM 537 O GLY A 35 29.570 -4.458 3.021 1.00 0.00 O ATOM 0 H GLY A 35 27.982 -3.294 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.465 -5.243 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.273 -5.786 1.752 1.00 0.00 H new ATOM 541 N ALA A 36 28.622 -6.054 4.292 1.00 0.00 N ATOM 542 CA ALA A 36 29.813 -6.270 5.103 1.00 0.00 C ATOM 543 C ALA A 36 30.030 -7.754 5.377 1.00 0.00 C ATOM 544 O ALA A 36 29.113 -8.563 5.231 1.00 0.00 O ATOM 545 CB ALA A 36 29.707 -5.500 6.411 1.00 0.00 C ATOM 0 H ALA A 36 27.827 -6.641 4.545 1.00 0.00 H new ATOM 0 HA ALA A 36 30.674 -5.901 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.603 -5.670 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.609 -4.435 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.833 -5.842 6.965 1.00 0.00 H new ATOM 551 N CYS A 37 31.248 -8.106 5.775 1.00 0.00 N ATOM 552 CA CYS A 37 31.586 -9.493 6.069 1.00 0.00 C ATOM 553 C CYS A 37 32.062 -9.644 7.511 1.00 0.00 C ATOM 554 O CYS A 37 32.772 -8.785 8.034 1.00 0.00 O ATOM 555 CB CYS A 37 32.669 -9.991 5.109 1.00 0.00 C ATOM 556 SG CYS A 37 32.874 -11.801 5.092 1.00 0.00 S ATOM 0 H CYS A 37 32.018 -7.449 5.901 1.00 0.00 H new ATOM 0 HA CYS A 37 30.687 -10.095 5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.428 -9.654 4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.619 -9.531 5.380 1.00 0.00 H new ATOM 561 N HIS A 38 31.665 -10.741 8.148 1.00 0.00 N ATOM 562 CA HIS A 38 32.051 -11.005 9.529 1.00 0.00 C ATOM 563 C HIS A 38 32.278 -12.497 9.754 1.00 0.00 C ATOM 564 O HIS A 38 31.441 -13.325 9.395 1.00 0.00 O ATOM 565 CB HIS A 38 30.977 -10.491 10.488 1.00 0.00 C ATOM 566 CG HIS A 38 31.305 -10.718 11.932 1.00 0.00 C ATOM 567 ND1 HIS A 38 30.342 -10.882 12.906 1.00 0.00 N ATOM 568 CD2 HIS A 38 32.498 -10.808 12.565 1.00 0.00 C ATOM 569 CE1 HIS A 38 30.929 -11.063 14.075 1.00 0.00 C ATOM 570 NE2 HIS A 38 32.237 -11.022 13.896 1.00 0.00 N ATOM 0 H HIS A 38 31.076 -11.461 7.730 1.00 0.00 H new ATOM 0 HA HIS A 38 32.985 -10.479 9.726 1.00 0.00 H new ATOM 0 HB2 HIS A 38 30.832 -9.424 10.320 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.031 -10.981 10.257 1.00 0.00 H new ATOM 0 HD2 HIS A 38 33.473 -10.727 12.108 1.00 0.00 H new ATOM 0 HE1 HIS A 38 30.425 -11.218 15.018 1.00 0.00 H new ATOM 0 HE2 HIS A 38 32.939 -11.132 14.628 1.00 0.00 H new ATOM 578 N LYS A 39 33.418 -12.834 10.349 1.00 0.00 N ATOM 579 CA LYS A 39 33.756 -14.225 10.623 1.00 0.00 C ATOM 580 C LYS A 39 33.540 -14.558 12.096 1.00 0.00 C ATOM 581 O LYS A 39 34.038 -13.861 12.979 1.00 0.00 O ATOM 582 CB LYS A 39 35.210 -14.503 10.235 1.00 0.00 C ATOM 583 CG LYS A 39 35.621 -15.954 10.414 1.00 0.00 C ATOM 584 CD LYS A 39 36.193 -16.205 11.799 1.00 0.00 C ATOM 585 CE LYS A 39 37.714 -16.211 11.782 1.00 0.00 C ATOM 586 NZ LYS A 39 38.278 -17.008 12.906 1.00 0.00 N ATOM 0 H LYS A 39 34.123 -12.162 10.651 1.00 0.00 H new ATOM 0 HA LYS A 39 33.099 -14.857 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.360 -14.217 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.865 -13.872 10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.758 -16.600 10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.362 -16.219 9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.839 -15.435 12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.829 -17.160 12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 39 38.065 -16.620 10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 39 38.082 -15.187 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 39.317 -16.987 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 37.964 -16.603 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 37.948 -17.992 12.834 1.00 0.00 H new ATOM 600 N ARG A 40 32.795 -15.629 12.352 1.00 0.00 N ATOM 601 CA ARG A 40 32.514 -16.054 13.718 1.00 0.00 C ATOM 602 C ARG A 40 31.626 -17.295 13.729 1.00 0.00 C ATOM 603 O ARG A 40 31.198 -17.773 12.678 1.00 0.00 O ATOM 604 CB ARG A 40 31.839 -14.924 14.498 1.00 0.00 C ATOM 605 CG ARG A 40 32.690 -14.373 15.630 1.00 0.00 C ATOM 606 CD ARG A 40 32.207 -14.869 16.983 1.00 0.00 C ATOM 607 NE ARG A 40 31.347 -13.893 17.648 1.00 0.00 N ATOM 608 CZ ARG A 40 31.023 -13.955 18.935 1.00 0.00 C ATOM 609 NH1 ARG A 40 31.486 -14.941 19.692 1.00 0.00 N ATOM 610 NH2 ARG A 40 30.235 -13.030 19.467 1.00 0.00 N ATOM 0 H ARG A 40 32.376 -16.217 11.632 1.00 0.00 H new ATOM 0 HA ARG A 40 33.461 -16.301 14.197 1.00 0.00 H new ATOM 0 HB2 ARG A 40 31.596 -14.114 13.810 1.00 0.00 H new ATOM 0 HB3 ARG A 40 30.897 -15.289 14.907 1.00 0.00 H new ATOM 0 HG2 ARG A 40 33.729 -14.669 15.483 1.00 0.00 H new ATOM 0 HG3 ARG A 40 32.663 -13.284 15.610 1.00 0.00 H new ATOM 0 HD2 ARG A 40 31.662 -15.804 16.853 1.00 0.00 H new ATOM 0 HD3 ARG A 40 33.066 -15.087 17.617 1.00 0.00 H new ATOM 0 HE ARG A 40 30.975 -13.122 17.094 1.00 0.00 H new ATOM 0 HH11 ARG A 40 32.092 -15.654 19.286 1.00 0.00 H new ATOM 0 HH12 ARG A 40 31.236 -14.986 20.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.877 -12.270 18.888 1.00 0.00 H new ATOM 0 HH22 ARG A 40 29.987 -13.078 20.455 1.00 0.00 H new ATOM 624 N GLU A 41 31.353 -17.811 14.923 1.00 0.00 N ATOM 625 CA GLU A 41 30.517 -18.997 15.069 1.00 0.00 C ATOM 626 C GLU A 41 31.075 -20.160 14.255 1.00 0.00 C ATOM 627 O GLU A 41 30.812 -20.277 13.058 1.00 0.00 O ATOM 628 CB GLU A 41 29.083 -18.694 14.630 1.00 0.00 C ATOM 629 CG GLU A 41 28.202 -18.167 15.750 1.00 0.00 C ATOM 630 CD GLU A 41 26.960 -17.466 15.234 1.00 0.00 C ATOM 631 OE1 GLU A 41 25.976 -18.164 14.912 1.00 0.00 O ATOM 632 OE2 GLU A 41 26.972 -16.220 15.153 1.00 0.00 O ATOM 0 H GLU A 41 31.698 -17.427 15.803 1.00 0.00 H new ATOM 0 HA GLU A 41 30.515 -19.281 16.121 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.106 -17.962 13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.637 -19.602 14.225 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.906 -18.995 16.395 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.777 -17.474 16.364 1.00 0.00 H new ATOM 639 N ALA A 42 31.848 -21.018 14.912 1.00 0.00 N ATOM 640 CA ALA A 42 32.443 -22.173 14.251 1.00 0.00 C ATOM 641 C ALA A 42 33.234 -21.752 13.017 1.00 0.00 C ATOM 642 O ALA A 42 33.410 -22.533 12.083 1.00 0.00 O ATOM 643 CB ALA A 42 31.364 -23.177 13.871 1.00 0.00 C ATOM 0 H ALA A 42 32.077 -20.935 15.902 1.00 0.00 H new ATOM 0 HA ALA A 42 33.134 -22.645 14.950 1.00 0.00 H new ATOM 0 HB1 ALA A 42 31.822 -24.035 13.378 1.00 0.00 H new ATOM 0 HB2 ALA A 42 30.844 -23.510 14.769 1.00 0.00 H new ATOM 0 HB3 ALA A 42 30.652 -22.707 13.193 1.00 0.00 H new ATOM 649 N GLY A 43 33.710 -20.510 13.020 1.00 0.00 N ATOM 650 CA GLY A 43 34.476 -20.006 11.895 1.00 0.00 C ATOM 651 C GLY A 43 33.618 -19.772 10.667 1.00 0.00 C ATOM 652 O GLY A 43 34.106 -19.837 9.539 1.00 0.00 O ATOM 0 H GLY A 43 33.579 -19.844 13.782 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.961 -19.072 12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.267 -20.715 11.652 1.00 0.00 H new ATOM 656 N LYS A 44 32.336 -19.501 10.886 1.00 0.00 N ATOM 657 CA LYS A 44 31.407 -19.257 9.789 1.00 0.00 C ATOM 658 C LYS A 44 31.348 -17.772 9.447 1.00 0.00 C ATOM 659 O LYS A 44 31.030 -16.942 10.298 1.00 0.00 O ATOM 660 CB LYS A 44 30.010 -19.762 10.155 1.00 0.00 C ATOM 661 CG LYS A 44 29.946 -21.263 10.381 1.00 0.00 C ATOM 662 CD LYS A 44 28.562 -21.701 10.831 1.00 0.00 C ATOM 663 CE LYS A 44 28.622 -22.482 12.135 1.00 0.00 C ATOM 664 NZ LYS A 44 29.060 -23.889 11.919 1.00 0.00 N ATOM 0 H LYS A 44 31.916 -19.445 11.814 1.00 0.00 H new ATOM 0 HA LYS A 44 31.766 -19.800 8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.673 -19.252 11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.315 -19.493 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.211 -21.782 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 44 30.682 -21.550 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.926 -20.825 10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.104 -22.317 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.310 -21.989 12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 44 27.640 -22.476 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.991 -24.415 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.450 -24.337 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.046 -23.899 11.587 1.00 0.00 H new ATOM 678 N GLU A 45 31.656 -17.445 8.195 1.00 0.00 N ATOM 679 CA GLU A 45 31.637 -16.059 7.742 1.00 0.00 C ATOM 680 C GLU A 45 30.257 -15.679 7.212 1.00 0.00 C ATOM 681 O GLU A 45 29.712 -16.348 6.334 1.00 0.00 O ATOM 682 CB GLU A 45 32.691 -15.840 6.654 1.00 0.00 C ATOM 683 CG GLU A 45 34.104 -15.701 7.195 1.00 0.00 C ATOM 684 CD GLU A 45 35.129 -16.425 6.344 1.00 0.00 C ATOM 685 OE1 GLU A 45 34.820 -16.727 5.172 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.240 -16.688 6.850 1.00 0.00 O ATOM 0 H GLU A 45 31.921 -18.120 7.478 1.00 0.00 H new ATOM 0 HA GLU A 45 31.868 -15.421 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 45 32.659 -16.676 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.437 -14.943 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.365 -14.644 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.140 -16.092 8.212 1.00 0.00 H new ATOM 693 N SER A 46 29.698 -14.601 7.753 1.00 0.00 N ATOM 694 CA SER A 46 28.381 -14.134 7.338 1.00 0.00 C ATOM 695 C SER A 46 28.460 -12.721 6.767 1.00 0.00 C ATOM 696 O SER A 46 29.133 -11.851 7.321 1.00 0.00 O ATOM 697 CB SER A 46 27.411 -14.163 8.521 1.00 0.00 C ATOM 698 OG SER A 46 27.478 -15.403 9.205 1.00 0.00 O ATOM 0 H SER A 46 30.137 -14.035 8.479 1.00 0.00 H new ATOM 0 HA SER A 46 28.015 -14.803 6.559 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.647 -13.351 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.394 -13.994 8.166 1.00 0.00 H new ATOM 0 HG SER A 46 26.850 -15.396 9.958 1.00 0.00 H new ATOM 704 N CYS A 47 27.768 -12.501 5.654 1.00 0.00 N ATOM 705 CA CYS A 47 27.759 -11.195 5.005 1.00 0.00 C ATOM 706 C CYS A 47 26.384 -10.543 5.114 1.00 0.00 C ATOM 707 O CYS A 47 25.394 -11.067 4.604 1.00 0.00 O ATOM 708 CB CYS A 47 28.155 -11.332 3.533 1.00 0.00 C ATOM 709 SG CYS A 47 29.828 -10.718 3.154 1.00 0.00 S ATOM 0 H CYS A 47 27.206 -13.210 5.183 1.00 0.00 H new ATOM 0 HA CYS A 47 28.484 -10.559 5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.091 -12.382 3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.433 -10.790 2.922 1.00 0.00 H new ATOM 714 N PHE A 48 26.331 -9.396 5.783 1.00 0.00 N ATOM 715 CA PHE A 48 25.078 -8.671 5.960 1.00 0.00 C ATOM 716 C PHE A 48 25.051 -7.412 5.099 1.00 0.00 C ATOM 717 O PHE A 48 25.987 -6.613 5.118 1.00 0.00 O ATOM 718 CB PHE A 48 24.883 -8.300 7.432 1.00 0.00 C ATOM 719 CG PHE A 48 26.134 -7.800 8.095 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.026 -8.685 8.679 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.418 -6.444 8.134 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.178 -8.227 9.290 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.569 -5.981 8.743 1.00 0.00 C ATOM 724 CZ PHE A 48 28.450 -6.873 9.323 1.00 0.00 C ATOM 0 H PHE A 48 27.141 -8.948 6.212 1.00 0.00 H new ATOM 0 HA PHE A 48 24.263 -9.322 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.111 -7.534 7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.519 -9.173 7.973 1.00 0.00 H new ATOM 0 HD1 PHE A 48 26.819 -9.745 8.656 1.00 0.00 H new ATOM 0 HD2 PHE A 48 25.732 -5.742 7.684 1.00 0.00 H new ATOM 0 HE1 PHE A 48 28.865 -8.927 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 48 27.780 -4.922 8.765 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.349 -6.513 9.801 1.00 0.00 H new ATOM 734 N CYS A 49 23.971 -7.243 4.343 1.00 0.00 N ATOM 735 CA CYS A 49 23.820 -6.083 3.473 1.00 0.00 C ATOM 736 C CYS A 49 22.478 -5.396 3.710 1.00 0.00 C ATOM 737 O CYS A 49 21.527 -6.016 4.186 1.00 0.00 O ATOM 738 CB CYS A 49 23.940 -6.500 2.006 1.00 0.00 C ATOM 739 SG CYS A 49 25.006 -7.951 1.731 1.00 0.00 S ATOM 0 H CYS A 49 23.187 -7.895 4.316 1.00 0.00 H new ATOM 0 HA CYS A 49 24.616 -5.377 3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.944 -6.715 1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.332 -5.661 1.432 1.00 0.00 H new ATOM 744 N TYR A 50 22.409 -4.113 3.375 1.00 0.00 N ATOM 745 CA TYR A 50 21.185 -3.341 3.553 1.00 0.00 C ATOM 746 C TYR A 50 20.900 -2.480 2.325 1.00 0.00 C ATOM 747 O TYR A 50 21.809 -1.888 1.743 1.00 0.00 O ATOM 748 CB TYR A 50 21.291 -2.456 4.796 1.00 0.00 C ATOM 749 CG TYR A 50 21.851 -3.174 6.003 1.00 0.00 C ATOM 750 CD1 TYR A 50 23.222 -3.265 6.208 1.00 0.00 C ATOM 751 CD2 TYR A 50 21.008 -3.759 6.940 1.00 0.00 C ATOM 752 CE1 TYR A 50 23.738 -3.920 7.310 1.00 0.00 C ATOM 753 CE2 TYR A 50 21.515 -4.415 8.045 1.00 0.00 C ATOM 754 CZ TYR A 50 22.880 -4.493 8.226 1.00 0.00 C ATOM 755 OH TYR A 50 23.389 -5.146 9.325 1.00 0.00 O ATOM 0 H TYR A 50 23.187 -3.585 2.978 1.00 0.00 H new ATOM 0 HA TYR A 50 20.360 -4.041 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 50 21.923 -1.598 4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.302 -2.067 5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 50 23.896 -2.816 5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 50 19.938 -3.700 6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 50 24.807 -3.983 7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 50 20.846 -4.865 8.764 1.00 0.00 H new ATOM 0 HH TYR A 50 24.254 -5.545 9.096 1.00 0.00 H new ATOM 765 N PHE A 51 19.631 -2.416 1.937 1.00 0.00 N ATOM 766 CA PHE A 51 19.224 -1.629 0.779 1.00 0.00 C ATOM 767 C PHE A 51 17.817 -1.070 0.968 1.00 0.00 C ATOM 768 O PHE A 51 17.014 -1.624 1.719 1.00 0.00 O ATOM 769 CB PHE A 51 19.280 -2.483 -0.489 1.00 0.00 C ATOM 770 CG PHE A 51 18.243 -3.569 -0.527 1.00 0.00 C ATOM 771 CD1 PHE A 51 18.326 -4.653 0.331 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.186 -3.505 -1.421 1.00 0.00 C ATOM 773 CE1 PHE A 51 17.373 -5.655 0.298 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.231 -4.503 -1.458 1.00 0.00 C ATOM 775 CZ PHE A 51 16.324 -5.579 -0.597 1.00 0.00 C ATOM 0 H PHE A 51 18.866 -2.900 2.408 1.00 0.00 H new ATOM 0 HA PHE A 51 19.917 -0.793 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 51 19.151 -1.838 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.269 -2.933 -0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 51 19.144 -4.717 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.108 -2.666 -2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.449 -6.496 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.412 -4.442 -2.160 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.578 -6.359 -0.624 1.00 0.00 H new ATOM 785 N ASP A 52 17.526 0.029 0.282 1.00 0.00 N ATOM 786 CA ASP A 52 16.217 0.664 0.373 1.00 0.00 C ATOM 787 C ASP A 52 15.148 -0.198 -0.293 1.00 0.00 C ATOM 788 O ASP A 52 15.304 -0.624 -1.437 1.00 0.00 O ATOM 789 CB ASP A 52 16.251 2.048 -0.276 1.00 0.00 C ATOM 790 CG ASP A 52 16.965 2.044 -1.613 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.214 2.048 -1.618 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.276 2.035 -2.654 1.00 0.00 O ATOM 0 H ASP A 52 18.180 0.499 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 52 15.966 0.773 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.231 2.407 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.747 2.749 0.395 1.00 0.00 H new ATOM 797 N CYS A 53 14.063 -0.451 0.432 1.00 0.00 N ATOM 798 CA CYS A 53 12.969 -1.263 -0.087 1.00 0.00 C ATOM 799 C CYS A 53 11.706 -0.424 -0.263 1.00 0.00 C ATOM 800 O CYS A 53 11.484 0.543 0.466 1.00 0.00 O ATOM 801 CB CYS A 53 12.688 -2.438 0.852 1.00 0.00 C ATOM 802 SG CYS A 53 13.353 -4.030 0.268 1.00 0.00 S ATOM 0 H CYS A 53 13.918 -0.105 1.381 1.00 0.00 H new ATOM 0 HA CYS A 53 13.266 -1.649 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.112 -2.216 1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.610 -2.533 0.985 1.00 0.00 H new ATOM 807 N SER A 54 10.881 -0.803 -1.234 1.00 0.00 N ATOM 808 CA SER A 54 9.642 -0.085 -1.508 1.00 0.00 C ATOM 809 C SER A 54 9.932 1.324 -2.015 1.00 0.00 C ATOM 810 O SER A 54 9.857 1.594 -3.214 1.00 0.00 O ATOM 811 CB SER A 54 8.777 -0.018 -0.248 1.00 0.00 C ATOM 812 OG SER A 54 7.678 -0.908 -0.336 1.00 0.00 O ATOM 0 H SER A 54 11.048 -1.603 -1.844 1.00 0.00 H new ATOM 0 HA SER A 54 9.100 -0.627 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.381 -0.266 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.414 1.000 -0.106 1.00 0.00 H new ATOM 0 HG SER A 54 7.142 -0.848 0.482 1.00 0.00 H new ATOM 818 N LYS A 55 10.263 2.222 -1.093 1.00 0.00 N ATOM 819 CA LYS A 55 10.566 3.604 -1.444 1.00 0.00 C ATOM 820 C LYS A 55 11.362 4.285 -0.334 1.00 0.00 C ATOM 821 O LYS A 55 11.267 5.497 -0.144 1.00 0.00 O ATOM 822 CB LYS A 55 9.274 4.379 -1.709 1.00 0.00 C ATOM 823 CG LYS A 55 9.262 5.103 -3.044 1.00 0.00 C ATOM 824 CD LYS A 55 8.532 4.300 -4.107 1.00 0.00 C ATOM 825 CE LYS A 55 9.469 3.879 -5.229 1.00 0.00 C ATOM 826 NZ LYS A 55 8.750 3.147 -6.308 1.00 0.00 N ATOM 0 H LYS A 55 10.328 2.017 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 55 11.171 3.599 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.432 3.688 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.125 5.105 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.782 6.075 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.286 5.290 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.085 3.415 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.716 4.895 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.952 4.761 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.258 3.246 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.424 2.878 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.310 2.291 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.013 3.760 -6.712 1.00 0.00 H new