USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 517 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 LYS NZ :NH3+ -146:sc= 0.0187 (180deg=0) USER MOD Set 1.2: A 19 SER OG : rot 166:sc= -1.08 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 56:sc= 0.729! USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -169:sc= -1.57 USER MOD Single : A 25 MET CE :methyl -119:sc= -2.99 (180deg=-9.32!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0593 K(o=0.059,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= -0.0852 (180deg=-0.118) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 51 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.047) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -0.0271 (180deg=-0.24) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= -0.168 (180deg=-1.44) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 12.114 -9.022 -7.208 1.00 0.00 N ATOM 89 CA GLU A 7 13.271 -8.872 -8.084 1.00 0.00 C ATOM 90 C GLU A 7 13.555 -7.398 -8.361 1.00 0.00 C ATOM 91 O GLU A 7 12.854 -6.755 -9.142 1.00 0.00 O ATOM 92 CB GLU A 7 13.041 -9.615 -9.401 1.00 0.00 C ATOM 93 CG GLU A 7 14.170 -10.562 -9.771 1.00 0.00 C ATOM 94 CD GLU A 7 13.725 -11.656 -10.723 1.00 0.00 C ATOM 95 OE1 GLU A 7 12.529 -12.012 -10.701 1.00 0.00 O ATOM 96 OE2 GLU A 7 14.575 -12.155 -11.489 1.00 0.00 O ATOM 0 HA GLU A 7 14.136 -9.303 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.112 -10.181 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.912 -8.887 -10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.980 -9.994 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.571 -11.015 -8.864 1.00 0.00 H new ATOM 103 N LEU A 8 14.589 -6.870 -7.714 1.00 0.00 N ATOM 104 CA LEU A 8 14.967 -5.472 -7.890 1.00 0.00 C ATOM 105 C LEU A 8 16.337 -5.357 -8.551 1.00 0.00 C ATOM 106 O LEU A 8 17.187 -6.234 -8.398 1.00 0.00 O ATOM 107 CB LEU A 8 14.979 -4.753 -6.539 1.00 0.00 C ATOM 108 CG LEU A 8 13.634 -4.206 -6.058 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.193 -3.036 -6.924 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.580 -5.303 -6.064 1.00 0.00 C ATOM 0 H LEU A 8 15.180 -7.388 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 8 14.230 -5.001 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.358 -5.444 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.686 -3.925 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 8 13.753 -3.849 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.234 -2.660 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.938 -2.242 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.091 -3.367 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.629 -4.896 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.463 -5.690 -7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.891 -6.110 -5.401 1.00 0.00 H new ATOM 122 N VAL A 9 16.544 -4.270 -9.287 1.00 0.00 N ATOM 123 CA VAL A 9 17.811 -4.038 -9.969 1.00 0.00 C ATOM 124 C VAL A 9 18.371 -2.660 -9.636 1.00 0.00 C ATOM 125 O VAL A 9 17.622 -1.728 -9.341 1.00 0.00 O ATOM 126 CB VAL A 9 17.657 -4.162 -11.497 1.00 0.00 C ATOM 127 CG1 VAL A 9 17.050 -5.507 -11.865 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.811 -3.020 -12.041 1.00 0.00 C ATOM 0 H VAL A 9 15.850 -3.536 -9.426 1.00 0.00 H new ATOM 0 HA VAL A 9 18.504 -4.803 -9.618 1.00 0.00 H new ATOM 0 HB VAL A 9 18.646 -4.100 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.949 -5.576 -12.948 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.698 -6.308 -11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.068 -5.602 -11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.712 -3.123 -13.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.823 -3.049 -11.582 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.291 -2.069 -11.810 1.00 0.00 H new ATOM 138 N LEU A 10 19.693 -2.537 -9.686 1.00 0.00 N ATOM 139 CA LEU A 10 20.355 -1.271 -9.390 1.00 0.00 C ATOM 140 C LEU A 10 20.759 -0.554 -10.674 1.00 0.00 C ATOM 141 O LEU A 10 21.178 -1.186 -11.644 1.00 0.00 O ATOM 142 CB LEU A 10 21.588 -1.510 -8.516 1.00 0.00 C ATOM 143 CG LEU A 10 22.140 -0.285 -7.785 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.801 -0.697 -6.479 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.124 0.465 -8.670 1.00 0.00 C ATOM 0 H LEU A 10 20.327 -3.298 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 10 19.651 -0.639 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.341 -2.270 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.379 -1.921 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 10 21.310 0.382 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 10 23.188 0.187 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 10 22.068 -1.190 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 10 23.621 -1.384 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.507 1.333 -8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.952 -0.193 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 10 22.619 0.793 -9.579 1.00 0.00 H new ATOM 157 N ALA A 11 20.632 0.769 -10.673 1.00 0.00 N ATOM 158 CA ALA A 11 20.987 1.572 -11.836 1.00 0.00 C ATOM 159 C ALA A 11 22.406 2.117 -11.714 1.00 0.00 C ATOM 160 O ALA A 11 22.663 3.039 -10.939 1.00 0.00 O ATOM 161 CB ALA A 11 19.995 2.712 -12.014 1.00 0.00 C ATOM 0 H ALA A 11 20.286 1.307 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 11 20.947 0.930 -12.716 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.273 3.303 -12.887 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.994 2.304 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.006 3.346 -11.127 1.00 0.00 H new ATOM 167 N LEU A 12 23.324 1.541 -12.482 1.00 0.00 N ATOM 168 CA LEU A 12 24.719 1.969 -12.459 1.00 0.00 C ATOM 169 C LEU A 12 24.881 3.331 -13.128 1.00 0.00 C ATOM 170 O LEU A 12 25.516 4.232 -12.579 1.00 0.00 O ATOM 171 CB LEU A 12 25.602 0.935 -13.160 1.00 0.00 C ATOM 172 CG LEU A 12 25.327 -0.528 -12.813 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.982 -1.450 -13.829 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.818 -0.844 -11.408 1.00 0.00 C ATOM 0 H LEU A 12 23.128 0.777 -13.128 1.00 0.00 H new ATOM 0 HA LEU A 12 25.030 2.057 -11.418 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.488 1.060 -14.237 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.643 1.155 -12.922 1.00 0.00 H new ATOM 0 HG LEU A 12 24.250 -0.693 -12.845 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.775 -2.487 -13.565 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.582 -1.241 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.059 -1.284 -13.830 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.614 -1.890 -11.178 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.891 -0.662 -11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.301 -0.207 -10.690 1.00 0.00 H new ATOM 186 N TYR A 13 24.303 3.474 -14.315 1.00 0.00 N ATOM 187 CA TYR A 13 24.384 4.725 -15.059 1.00 0.00 C ATOM 188 C TYR A 13 23.028 5.424 -15.098 1.00 0.00 C ATOM 189 O TYR A 13 22.035 4.906 -14.588 1.00 0.00 O ATOM 190 CB TYR A 13 24.877 4.465 -16.483 1.00 0.00 C ATOM 191 CG TYR A 13 26.287 3.921 -16.546 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.382 4.776 -16.564 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.523 2.553 -16.586 1.00 0.00 C ATOM 194 CE1 TYR A 13 28.671 4.284 -16.622 1.00 0.00 C ATOM 195 CE2 TYR A 13 27.809 2.051 -16.643 1.00 0.00 C ATOM 196 CZ TYR A 13 28.880 2.921 -16.661 1.00 0.00 C ATOM 197 OH TYR A 13 30.163 2.426 -16.717 1.00 0.00 O ATOM 0 H TYR A 13 23.773 2.739 -14.783 1.00 0.00 H new ATOM 0 HA TYR A 13 25.094 5.376 -14.549 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.203 3.760 -16.969 1.00 0.00 H new ATOM 0 HB3 TYR A 13 24.829 5.394 -17.050 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.222 5.844 -16.532 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.687 1.870 -16.572 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.511 4.963 -16.637 1.00 0.00 H new ATOM 0 HE2 TYR A 13 27.975 0.984 -16.673 1.00 0.00 H new ATOM 0 HH TYR A 13 30.135 1.447 -16.738 1.00 0.00 H new ATOM 207 N ASP A 14 22.996 6.604 -15.708 1.00 0.00 N ATOM 208 CA ASP A 14 21.763 7.375 -15.817 1.00 0.00 C ATOM 209 C ASP A 14 21.108 7.164 -17.178 1.00 0.00 C ATOM 210 O ASP A 14 21.741 6.674 -18.114 1.00 0.00 O ATOM 211 CB ASP A 14 22.046 8.863 -15.599 1.00 0.00 C ATOM 212 CG ASP A 14 20.778 9.691 -15.545 1.00 0.00 C ATOM 213 OD1 ASP A 14 20.322 10.149 -16.614 1.00 0.00 O ATOM 214 OD2 ASP A 14 20.240 9.881 -14.435 1.00 0.00 O ATOM 0 H ASP A 14 23.810 7.047 -16.134 1.00 0.00 H new ATOM 0 HA ASP A 14 21.076 7.026 -15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.601 8.992 -14.670 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.683 9.231 -16.404 1.00 0.00 H new ATOM 219 N TYR A 15 19.837 7.535 -17.281 1.00 0.00 N ATOM 220 CA TYR A 15 19.095 7.383 -18.527 1.00 0.00 C ATOM 221 C TYR A 15 18.180 8.580 -18.766 1.00 0.00 C ATOM 222 O TYR A 15 18.126 9.505 -17.956 1.00 0.00 O ATOM 223 CB TYR A 15 18.271 6.094 -18.500 1.00 0.00 C ATOM 224 CG TYR A 15 18.103 5.454 -19.859 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.208 5.100 -20.623 1.00 0.00 C ATOM 226 CD2 TYR A 15 16.840 5.203 -20.380 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.060 4.515 -21.866 1.00 0.00 C ATOM 228 CE2 TYR A 15 16.682 4.617 -21.621 1.00 0.00 C ATOM 229 CZ TYR A 15 17.795 4.276 -22.360 1.00 0.00 C ATOM 230 OH TYR A 15 17.643 3.692 -23.597 1.00 0.00 O ATOM 0 H TYR A 15 19.299 7.943 -16.517 1.00 0.00 H new ATOM 0 HA TYR A 15 19.814 7.330 -19.344 1.00 0.00 H new ATOM 0 HB2 TYR A 15 18.749 5.381 -17.829 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.286 6.311 -18.086 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.200 5.285 -20.239 1.00 0.00 H new ATOM 0 HD2 TYR A 15 15.966 5.471 -19.805 1.00 0.00 H new ATOM 0 HE1 TYR A 15 19.930 4.247 -22.447 1.00 0.00 H new ATOM 0 HE2 TYR A 15 15.693 4.427 -22.010 1.00 0.00 H new ATOM 0 HH TYR A 15 18.124 2.839 -23.617 1.00 0.00 H new ATOM 240 N GLN A 16 17.461 8.554 -19.884 1.00 0.00 N ATOM 241 CA GLN A 16 16.548 9.636 -20.230 1.00 0.00 C ATOM 242 C GLN A 16 15.476 9.154 -21.202 1.00 0.00 C ATOM 243 O GLN A 16 15.669 9.185 -22.417 1.00 0.00 O ATOM 244 CB GLN A 16 17.320 10.807 -20.842 1.00 0.00 C ATOM 245 CG GLN A 16 17.293 12.065 -19.990 1.00 0.00 C ATOM 246 CD GLN A 16 16.351 13.120 -20.535 1.00 0.00 C ATOM 247 OE1 GLN A 16 16.735 13.942 -21.368 1.00 0.00 O ATOM 248 NE2 GLN A 16 15.108 13.102 -20.068 1.00 0.00 N ATOM 0 H GLN A 16 17.494 7.795 -20.565 1.00 0.00 H new ATOM 0 HA GLN A 16 16.059 9.971 -19.316 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.356 10.506 -20.998 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.902 11.034 -21.823 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.993 11.805 -18.975 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.299 12.479 -19.929 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.832 12.403 -19.378 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.429 13.787 -20.399 1.00 0.00 H new ATOM 257 N GLU A 17 14.348 8.710 -20.658 1.00 0.00 N ATOM 258 CA GLU A 17 13.246 8.220 -21.479 1.00 0.00 C ATOM 259 C GLU A 17 12.886 9.231 -22.564 1.00 0.00 C ATOM 260 O GLU A 17 12.936 10.441 -22.344 1.00 0.00 O ATOM 261 CB GLU A 17 12.021 7.932 -20.608 1.00 0.00 C ATOM 262 CG GLU A 17 11.523 9.143 -19.838 1.00 0.00 C ATOM 263 CD GLU A 17 10.680 10.070 -20.692 1.00 0.00 C ATOM 264 OE1 GLU A 17 9.953 9.567 -21.574 1.00 0.00 O ATOM 265 OE2 GLU A 17 10.746 11.299 -20.478 1.00 0.00 O ATOM 0 H GLU A 17 14.173 8.679 -19.654 1.00 0.00 H new ATOM 0 HA GLU A 17 13.567 7.296 -21.959 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.216 7.558 -21.241 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.266 7.139 -19.902 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.936 8.809 -18.982 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.376 9.694 -19.443 1.00 0.00 H new ATOM 272 N LYS A 18 12.522 8.725 -23.738 1.00 0.00 N ATOM 273 CA LYS A 18 12.152 9.580 -24.859 1.00 0.00 C ATOM 274 C LYS A 18 10.835 9.125 -25.479 1.00 0.00 C ATOM 275 O LYS A 18 10.444 9.599 -26.546 1.00 0.00 O ATOM 276 CB LYS A 18 13.257 9.574 -25.918 1.00 0.00 C ATOM 277 CG LYS A 18 13.931 8.224 -26.086 1.00 0.00 C ATOM 278 CD LYS A 18 12.950 7.165 -26.560 1.00 0.00 C ATOM 279 CE LYS A 18 13.659 6.035 -27.291 1.00 0.00 C ATOM 280 NZ LYS A 18 12.695 5.058 -27.869 1.00 0.00 N ATOM 0 H LYS A 18 12.476 7.726 -23.937 1.00 0.00 H new ATOM 0 HA LYS A 18 12.024 10.595 -24.483 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.834 9.881 -26.874 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.010 10.316 -25.650 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.748 8.311 -26.802 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.370 7.915 -25.137 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.407 6.762 -25.705 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.212 7.621 -27.221 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.278 6.449 -28.087 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.329 5.520 -26.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.105 4.103 -27.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.812 5.076 -27.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.494 5.312 -28.857 1.00 0.00 H new ATOM 294 N SER A 19 10.156 8.203 -24.804 1.00 0.00 N ATOM 295 CA SER A 19 8.884 7.682 -25.291 1.00 0.00 C ATOM 296 C SER A 19 7.890 7.517 -24.145 1.00 0.00 C ATOM 297 O SER A 19 8.260 7.460 -22.972 1.00 0.00 O ATOM 298 CB SER A 19 9.094 6.341 -25.996 1.00 0.00 C ATOM 299 OG SER A 19 10.350 5.779 -25.658 1.00 0.00 O ATOM 0 H SER A 19 10.465 7.802 -23.919 1.00 0.00 H new ATOM 0 HA SER A 19 8.475 8.399 -26.003 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.297 5.652 -25.718 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.033 6.480 -27.075 1.00 0.00 H new ATOM 0 HG SER A 19 10.371 4.838 -25.930 1.00 0.00 H new ATOM 305 N PRO A 20 6.597 7.438 -24.491 1.00 0.00 N ATOM 306 CA PRO A 20 5.522 7.278 -23.507 1.00 0.00 C ATOM 307 C PRO A 20 5.533 5.899 -22.856 1.00 0.00 C ATOM 308 O PRO A 20 4.951 5.701 -21.790 1.00 0.00 O ATOM 309 CB PRO A 20 4.250 7.467 -24.337 1.00 0.00 C ATOM 310 CG PRO A 20 4.643 7.093 -25.724 1.00 0.00 C ATOM 311 CD PRO A 20 6.084 7.499 -25.870 1.00 0.00 C ATOM 0 HA PRO A 20 5.617 7.983 -22.681 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.441 6.835 -23.971 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.896 8.497 -24.290 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.521 6.023 -25.889 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.018 7.602 -26.457 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.627 6.823 -26.531 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.179 8.500 -26.290 1.00 0.00 H new ATOM 319 N ARG A 21 6.200 4.949 -23.505 1.00 0.00 N ATOM 320 CA ARG A 21 6.285 3.588 -22.989 1.00 0.00 C ATOM 321 C ARG A 21 7.713 3.258 -22.562 1.00 0.00 C ATOM 322 O ARG A 21 8.157 2.116 -22.681 1.00 0.00 O ATOM 323 CB ARG A 21 5.813 2.589 -24.046 1.00 0.00 C ATOM 324 CG ARG A 21 5.264 1.298 -23.461 1.00 0.00 C ATOM 325 CD ARG A 21 3.814 1.454 -23.030 1.00 0.00 C ATOM 326 NE ARG A 21 2.925 1.671 -24.169 1.00 0.00 N ATOM 327 CZ ARG A 21 1.602 1.735 -24.066 1.00 0.00 C ATOM 328 NH1 ARG A 21 1.018 1.599 -22.884 1.00 0.00 N ATOM 329 NH2 ARG A 21 0.861 1.935 -25.148 1.00 0.00 N ATOM 0 H ARG A 21 6.689 5.097 -24.388 1.00 0.00 H new ATOM 0 HA ARG A 21 5.637 3.515 -22.116 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.042 3.057 -24.658 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.646 2.353 -24.708 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.341 0.501 -24.200 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.869 0.999 -22.605 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.499 0.562 -22.489 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.729 2.293 -22.339 1.00 0.00 H new ATOM 0 HE ARG A 21 3.343 1.779 -25.093 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.585 1.445 -22.050 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.002 1.649 -22.808 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.307 2.040 -26.059 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.155 1.984 -25.069 1.00 0.00 H new ATOM 343 N GLU A 22 8.425 4.265 -22.065 1.00 0.00 N ATOM 344 CA GLU A 22 9.802 4.080 -21.622 1.00 0.00 C ATOM 345 C GLU A 22 10.023 4.716 -20.253 1.00 0.00 C ATOM 346 O GLU A 22 9.247 5.567 -19.819 1.00 0.00 O ATOM 347 CB GLU A 22 10.773 4.683 -22.640 1.00 0.00 C ATOM 348 CG GLU A 22 12.174 4.099 -22.563 1.00 0.00 C ATOM 349 CD GLU A 22 12.204 2.612 -22.858 1.00 0.00 C ATOM 350 OE1 GLU A 22 11.160 2.071 -23.278 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.270 1.990 -22.668 1.00 0.00 O ATOM 0 H GLU A 22 8.071 5.216 -21.959 1.00 0.00 H new ATOM 0 HA GLU A 22 9.990 3.010 -21.540 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.378 4.527 -23.644 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.828 5.760 -22.483 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.820 4.619 -23.271 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.583 4.276 -21.568 1.00 0.00 H new ATOM 358 N VAL A 23 11.087 4.296 -19.577 1.00 0.00 N ATOM 359 CA VAL A 23 11.412 4.824 -18.257 1.00 0.00 C ATOM 360 C VAL A 23 12.837 5.364 -18.216 1.00 0.00 C ATOM 361 O VAL A 23 13.550 5.341 -19.219 1.00 0.00 O ATOM 362 CB VAL A 23 11.251 3.747 -17.167 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.780 3.525 -16.849 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.914 2.448 -17.600 1.00 0.00 C ATOM 0 H VAL A 23 11.739 3.591 -19.921 1.00 0.00 H new ATOM 0 HA VAL A 23 10.713 5.637 -18.061 1.00 0.00 H new ATOM 0 HB VAL A 23 11.745 4.095 -16.260 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.686 2.761 -16.077 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.340 4.457 -16.493 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.259 3.198 -17.749 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.791 1.698 -16.818 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.451 2.092 -18.520 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.976 2.621 -17.772 1.00 0.00 H new ATOM 374 N THR A 24 13.246 5.850 -17.048 1.00 0.00 N ATOM 375 CA THR A 24 14.586 6.397 -16.876 1.00 0.00 C ATOM 376 C THR A 24 15.175 5.995 -15.528 1.00 0.00 C ATOM 377 O THR A 24 14.454 5.561 -14.630 1.00 0.00 O ATOM 378 CB THR A 24 14.584 7.933 -16.985 1.00 0.00 C ATOM 379 OG1 THR A 24 15.917 8.411 -17.196 1.00 0.00 O ATOM 380 CG2 THR A 24 14.007 8.564 -15.727 1.00 0.00 C ATOM 0 H THR A 24 12.669 5.876 -16.208 1.00 0.00 H new ATOM 0 HA THR A 24 15.201 5.984 -17.676 1.00 0.00 H new ATOM 0 HB THR A 24 13.959 8.214 -17.833 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.936 9.385 -17.091 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.016 9.649 -15.827 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.982 8.221 -15.585 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.609 8.274 -14.866 1.00 0.00 H new ATOM 388 N MET A 25 16.489 6.144 -15.394 1.00 0.00 N ATOM 389 CA MET A 25 17.173 5.798 -14.154 1.00 0.00 C ATOM 390 C MET A 25 18.287 6.796 -13.851 1.00 0.00 C ATOM 391 O MET A 25 18.591 7.668 -14.665 1.00 0.00 O ATOM 392 CB MET A 25 17.750 4.384 -14.242 1.00 0.00 C ATOM 393 CG MET A 25 16.827 3.393 -14.933 1.00 0.00 C ATOM 394 SD MET A 25 17.141 3.272 -16.705 1.00 0.00 S ATOM 395 CE MET A 25 18.834 2.688 -16.709 1.00 0.00 C ATOM 0 H MET A 25 17.100 6.502 -16.128 1.00 0.00 H new ATOM 0 HA MET A 25 16.445 5.836 -13.344 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.698 4.420 -14.779 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.967 4.025 -13.236 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.949 2.410 -14.478 1.00 0.00 H new ATOM 0 HG3 MET A 25 15.792 3.693 -14.771 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.469 3.416 -17.214 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.176 2.558 -15.682 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.889 1.734 -17.233 1.00 0.00 H new ATOM 405 N LYS A 26 18.891 6.662 -12.675 1.00 0.00 N ATOM 406 CA LYS A 26 19.972 7.551 -12.265 1.00 0.00 C ATOM 407 C LYS A 26 21.060 6.779 -11.525 1.00 0.00 C ATOM 408 O LYS A 26 20.789 5.760 -10.888 1.00 0.00 O ATOM 409 CB LYS A 26 19.429 8.669 -11.372 1.00 0.00 C ATOM 410 CG LYS A 26 18.528 9.649 -12.104 1.00 0.00 C ATOM 411 CD LYS A 26 17.476 10.237 -11.180 1.00 0.00 C ATOM 412 CE LYS A 26 16.120 9.582 -11.389 1.00 0.00 C ATOM 413 NZ LYS A 26 15.011 10.574 -11.339 1.00 0.00 N ATOM 0 H LYS A 26 18.650 5.946 -11.989 1.00 0.00 H new ATOM 0 HA LYS A 26 20.408 7.990 -13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.874 8.225 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.267 9.214 -10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.131 10.452 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.040 9.143 -12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.788 10.107 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.394 11.309 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.108 9.072 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.962 8.822 -10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.103 10.088 -11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.006 11.043 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.147 11.285 -12.085 1.00 0.00 H new ATOM 427 N LYS A 27 22.291 7.270 -11.613 1.00 0.00 N ATOM 428 CA LYS A 27 23.421 6.629 -10.950 1.00 0.00 C ATOM 429 C LYS A 27 23.135 6.422 -9.466 1.00 0.00 C ATOM 430 O LYS A 27 23.226 7.356 -8.670 1.00 0.00 O ATOM 431 CB LYS A 27 24.686 7.472 -11.124 1.00 0.00 C ATOM 432 CG LYS A 27 24.477 8.949 -10.839 1.00 0.00 C ATOM 433 CD LYS A 27 24.404 9.759 -12.123 1.00 0.00 C ATOM 434 CE LYS A 27 25.000 11.146 -11.941 1.00 0.00 C ATOM 435 NZ LYS A 27 24.756 12.015 -13.125 1.00 0.00 N ATOM 0 H LYS A 27 22.532 8.111 -12.138 1.00 0.00 H new ATOM 0 HA LYS A 27 23.576 5.654 -11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.462 7.089 -10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.052 7.356 -12.144 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.558 9.084 -10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.293 9.320 -10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.936 9.234 -12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 27 23.365 9.847 -12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 27 24.571 11.612 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.073 11.060 -11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.178 12.951 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.187 11.583 -13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 23.732 12.118 -13.275 1.00 0.00 H new ATOM 449 N GLY A 28 22.789 5.191 -9.100 1.00 0.00 N ATOM 450 CA GLY A 28 22.497 4.884 -7.712 1.00 0.00 C ATOM 451 C GLY A 28 21.015 4.691 -7.461 1.00 0.00 C ATOM 452 O GLY A 28 20.556 4.767 -6.321 1.00 0.00 O ATOM 0 H GLY A 28 22.706 4.401 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.032 3.980 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.868 5.690 -7.079 1.00 0.00 H new ATOM 456 N ASP A 29 20.263 4.443 -8.528 1.00 0.00 N ATOM 457 CA ASP A 29 18.823 4.239 -8.418 1.00 0.00 C ATOM 458 C ASP A 29 18.487 2.752 -8.364 1.00 0.00 C ATOM 459 O ASP A 29 19.369 1.902 -8.487 1.00 0.00 O ATOM 460 CB ASP A 29 18.102 4.896 -9.596 1.00 0.00 C ATOM 461 CG ASP A 29 17.768 6.351 -9.332 1.00 0.00 C ATOM 462 OD1 ASP A 29 18.554 7.022 -8.632 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.719 6.818 -9.825 1.00 0.00 O ATOM 0 H ASP A 29 20.627 4.378 -9.479 1.00 0.00 H new ATOM 0 HA ASP A 29 18.485 4.703 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.727 4.826 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.184 4.348 -9.807 1.00 0.00 H new ATOM 468 N ILE A 30 17.207 2.446 -8.180 1.00 0.00 N ATOM 469 CA ILE A 30 16.755 1.062 -8.111 1.00 0.00 C ATOM 470 C ILE A 30 15.366 0.906 -8.719 1.00 0.00 C ATOM 471 O ILE A 30 14.449 1.666 -8.403 1.00 0.00 O ATOM 472 CB ILE A 30 16.728 0.551 -6.658 1.00 0.00 C ATOM 473 CG1 ILE A 30 18.076 0.806 -5.980 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.383 -0.930 -6.624 1.00 0.00 C ATOM 475 CD1 ILE A 30 18.118 0.362 -4.534 1.00 0.00 C ATOM 0 H ILE A 30 16.465 3.138 -8.076 1.00 0.00 H new ATOM 0 HA ILE A 30 17.468 0.468 -8.683 1.00 0.00 H new ATOM 0 HB ILE A 30 15.959 1.096 -6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.857 0.285 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.304 1.871 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.368 -1.276 -5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.402 -1.086 -7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.131 -1.491 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.103 0.573 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.360 0.901 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.921 -0.709 -4.476 1.00 0.00 H new ATOM 487 N LEU A 31 15.215 -0.085 -9.590 1.00 0.00 N ATOM 488 CA LEU A 31 13.936 -0.343 -10.242 1.00 0.00 C ATOM 489 C LEU A 31 13.527 -1.803 -10.080 1.00 0.00 C ATOM 490 O LEU A 31 14.374 -2.696 -10.041 1.00 0.00 O ATOM 491 CB LEU A 31 14.016 0.015 -11.727 1.00 0.00 C ATOM 492 CG LEU A 31 14.107 1.506 -12.055 1.00 0.00 C ATOM 493 CD1 LEU A 31 13.015 2.278 -11.331 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.480 2.050 -11.688 1.00 0.00 C ATOM 0 H LEU A 31 15.963 -0.724 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 31 13.181 0.282 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.886 -0.484 -12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.137 -0.393 -12.226 1.00 0.00 H new ATOM 0 HG LEU A 31 13.963 1.632 -13.128 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.095 3.337 -11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.039 1.906 -11.642 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.128 2.145 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.527 3.112 -11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.653 1.911 -10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.245 1.517 -12.252 1.00 0.00 H new ATOM 506 N THR A 32 12.222 -2.041 -9.989 1.00 0.00 N ATOM 507 CA THR A 32 11.701 -3.393 -9.833 1.00 0.00 C ATOM 508 C THR A 32 11.557 -4.086 -11.182 1.00 0.00 C ATOM 509 O THR A 32 10.874 -3.588 -12.078 1.00 0.00 O ATOM 510 CB THR A 32 10.334 -3.389 -9.122 1.00 0.00 C ATOM 511 OG1 THR A 32 10.159 -2.163 -8.403 1.00 0.00 O ATOM 512 CG2 THR A 32 10.218 -4.566 -8.165 1.00 0.00 C ATOM 0 H THR A 32 11.507 -1.314 -10.021 1.00 0.00 H new ATOM 0 HA THR A 32 12.419 -3.940 -9.222 1.00 0.00 H new ATOM 0 HB THR A 32 9.555 -3.479 -9.879 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.287 -2.168 -7.955 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.245 -4.542 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.322 -5.498 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.005 -4.502 -7.413 1.00 0.00 H new ATOM 520 N LEU A 33 12.203 -5.238 -11.322 1.00 0.00 N ATOM 521 CA LEU A 33 12.147 -6.001 -12.564 1.00 0.00 C ATOM 522 C LEU A 33 10.812 -6.728 -12.697 1.00 0.00 C ATOM 523 O LEU A 33 10.359 -7.391 -11.763 1.00 0.00 O ATOM 524 CB LEU A 33 13.297 -7.009 -12.620 1.00 0.00 C ATOM 525 CG LEU A 33 13.395 -7.845 -13.896 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.440 -9.027 -13.834 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.108 -6.988 -15.119 1.00 0.00 C ATOM 0 H LEU A 33 12.772 -5.664 -10.591 1.00 0.00 H new ATOM 0 HA LEU A 33 12.244 -5.302 -13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.234 -6.468 -12.491 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.201 -7.687 -11.772 1.00 0.00 H new ATOM 0 HG LEU A 33 14.412 -8.230 -13.978 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.524 -9.611 -14.751 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.693 -9.655 -12.980 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.418 -8.664 -13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.182 -7.600 -16.018 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.103 -6.573 -15.045 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.833 -6.176 -15.172 1.00 0.00 H new ATOM 539 N LEU A 34 10.189 -6.601 -13.863 1.00 0.00 N ATOM 540 CA LEU A 34 8.906 -7.248 -14.119 1.00 0.00 C ATOM 541 C LEU A 34 9.050 -8.345 -15.168 1.00 0.00 C ATOM 542 O LEU A 34 8.447 -9.411 -15.052 1.00 0.00 O ATOM 543 CB LEU A 34 7.876 -6.216 -14.581 1.00 0.00 C ATOM 544 CG LEU A 34 7.397 -5.224 -13.521 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.320 -4.314 -14.089 1.00 0.00 C ATOM 546 CD2 LEU A 34 6.883 -5.961 -12.293 1.00 0.00 C ATOM 0 H LEU A 34 10.551 -6.056 -14.646 1.00 0.00 H new ATOM 0 HA LEU A 34 8.564 -7.703 -13.189 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.303 -5.652 -15.410 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.008 -6.748 -14.970 1.00 0.00 H new ATOM 0 HG LEU A 34 8.244 -4.607 -13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.992 -3.615 -13.320 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.722 -3.759 -14.936 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.473 -4.915 -14.419 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.546 -5.239 -11.549 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.050 -6.604 -12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.684 -6.569 -11.872 1.00 0.00 H new ATOM 558 N ASN A 35 9.855 -8.077 -16.191 1.00 0.00 N ATOM 559 CA ASN A 35 10.080 -9.043 -17.261 1.00 0.00 C ATOM 560 C ASN A 35 11.519 -8.973 -17.763 1.00 0.00 C ATOM 561 O ASN A 35 12.001 -7.909 -18.152 1.00 0.00 O ATOM 562 CB ASN A 35 9.112 -8.788 -18.418 1.00 0.00 C ATOM 563 CG ASN A 35 7.948 -9.761 -18.423 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.843 -9.427 -17.996 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.193 -10.974 -18.906 1.00 0.00 N ATOM 0 H ASN A 35 10.362 -7.199 -16.302 1.00 0.00 H new ATOM 0 HA ASN A 35 9.902 -10.041 -16.860 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.730 -7.769 -18.351 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.651 -8.865 -19.363 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.450 -11.672 -18.933 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.125 -11.208 -19.250 1.00 0.00 H new ATOM 572 N SER A 36 12.200 -10.115 -17.752 1.00 0.00 N ATOM 573 CA SER A 36 13.585 -10.184 -18.203 1.00 0.00 C ATOM 574 C SER A 36 13.732 -11.173 -19.354 1.00 0.00 C ATOM 575 O SER A 36 14.788 -11.782 -19.535 1.00 0.00 O ATOM 576 CB SER A 36 14.500 -10.589 -17.046 1.00 0.00 C ATOM 577 OG SER A 36 14.081 -11.814 -16.469 1.00 0.00 O ATOM 0 H SER A 36 11.815 -11.005 -17.436 1.00 0.00 H new ATOM 0 HA SER A 36 13.876 -9.195 -18.558 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.525 -10.684 -17.405 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.499 -9.807 -16.287 1.00 0.00 H new ATOM 0 HG SER A 36 14.683 -12.052 -15.733 1.00 0.00 H new ATOM 583 N THR A 37 12.666 -11.329 -20.133 1.00 0.00 N ATOM 584 CA THR A 37 12.675 -12.245 -21.267 1.00 0.00 C ATOM 585 C THR A 37 13.826 -11.934 -22.216 1.00 0.00 C ATOM 586 O THR A 37 14.307 -12.811 -22.932 1.00 0.00 O ATOM 587 CB THR A 37 11.349 -12.184 -22.049 1.00 0.00 C ATOM 588 OG1 THR A 37 11.381 -13.110 -23.140 1.00 0.00 O ATOM 589 CG2 THR A 37 11.096 -10.779 -22.575 1.00 0.00 C ATOM 0 H THR A 37 11.785 -10.833 -19.999 1.00 0.00 H new ATOM 0 HA THR A 37 12.803 -13.249 -20.861 1.00 0.00 H new ATOM 0 HB THR A 37 10.539 -12.452 -21.371 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.534 -13.066 -23.631 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.154 -10.760 -23.124 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.043 -10.082 -21.739 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.909 -10.487 -23.240 1.00 0.00 H new ATOM 597 N ASN A 38 14.265 -10.679 -22.215 1.00 0.00 N ATOM 598 CA ASN A 38 15.361 -10.252 -23.077 1.00 0.00 C ATOM 599 C ASN A 38 16.659 -10.128 -22.285 1.00 0.00 C ATOM 600 O ASN A 38 16.669 -10.262 -21.062 1.00 0.00 O ATOM 601 CB ASN A 38 15.025 -8.915 -23.740 1.00 0.00 C ATOM 602 CG ASN A 38 15.568 -8.817 -25.153 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.563 -8.137 -25.402 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.913 -9.499 -26.086 1.00 0.00 N ATOM 0 H ASN A 38 13.879 -9.941 -21.627 1.00 0.00 H new ATOM 0 HA ASN A 38 15.498 -11.008 -23.850 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.943 -8.784 -23.760 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.433 -8.102 -23.140 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.231 -9.472 -27.055 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.092 -10.050 -25.833 1.00 0.00 H new ATOM 611 N LYS A 39 17.755 -9.870 -22.992 1.00 0.00 N ATOM 612 CA LYS A 39 19.059 -9.726 -22.357 1.00 0.00 C ATOM 613 C LYS A 39 19.603 -8.313 -22.545 1.00 0.00 C ATOM 614 O LYS A 39 20.402 -7.833 -21.741 1.00 0.00 O ATOM 615 CB LYS A 39 20.045 -10.744 -22.933 1.00 0.00 C ATOM 616 CG LYS A 39 19.520 -12.170 -22.929 1.00 0.00 C ATOM 617 CD LYS A 39 20.614 -13.168 -23.266 1.00 0.00 C ATOM 618 CE LYS A 39 21.520 -13.427 -22.072 1.00 0.00 C ATOM 619 NZ LYS A 39 22.068 -14.811 -22.080 1.00 0.00 N ATOM 0 H LYS A 39 17.765 -9.756 -24.006 1.00 0.00 H new ATOM 0 HA LYS A 39 18.938 -9.911 -21.290 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.292 -10.460 -23.956 1.00 0.00 H new ATOM 0 HB3 LYS A 39 20.971 -10.705 -22.359 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.104 -12.403 -21.949 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.708 -12.262 -23.650 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.164 -14.106 -23.593 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.207 -12.791 -24.099 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.342 -12.711 -22.078 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.962 -13.263 -21.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.680 -14.947 -21.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.285 -15.495 -22.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.623 -14.960 -22.947 1.00 0.00 H new ATOM 633 N ASP A 40 19.163 -7.653 -23.611 1.00 0.00 N ATOM 634 CA ASP A 40 19.604 -6.294 -23.903 1.00 0.00 C ATOM 635 C ASP A 40 18.833 -5.280 -23.064 1.00 0.00 C ATOM 636 O ASP A 40 19.426 -4.453 -22.372 1.00 0.00 O ATOM 637 CB ASP A 40 19.424 -5.985 -25.390 1.00 0.00 C ATOM 638 CG ASP A 40 20.119 -6.998 -26.280 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.359 -7.114 -26.189 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.423 -7.673 -27.067 1.00 0.00 O ATOM 0 H ASP A 40 18.502 -8.037 -24.286 1.00 0.00 H new ATOM 0 HA ASP A 40 20.661 -6.220 -23.649 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.360 -5.966 -25.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.816 -4.990 -25.602 1.00 0.00 H new ATOM 645 N TRP A 41 17.508 -5.350 -23.131 1.00 0.00 N ATOM 646 CA TRP A 41 16.656 -4.437 -22.378 1.00 0.00 C ATOM 647 C TRP A 41 15.717 -5.205 -21.454 1.00 0.00 C ATOM 648 O TRP A 41 15.189 -6.254 -21.824 1.00 0.00 O ATOM 649 CB TRP A 41 15.845 -3.559 -23.333 1.00 0.00 C ATOM 650 CG TRP A 41 16.685 -2.875 -24.369 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.108 -3.399 -25.557 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.204 -1.543 -24.309 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.860 -2.473 -26.239 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.933 -1.325 -25.494 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.123 -0.511 -23.369 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.576 -0.119 -25.762 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.762 0.685 -23.636 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.480 0.873 -24.825 1.00 0.00 C ATOM 0 H TRP A 41 17.001 -6.029 -23.699 1.00 0.00 H new ATOM 0 HA TRP A 41 17.298 -3.802 -21.767 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.095 -4.173 -23.831 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.308 -2.806 -22.756 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.884 -4.395 -25.909 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.293 -2.617 -27.151 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.571 -0.646 -22.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.131 0.028 -26.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.707 1.488 -22.916 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.967 1.820 -25.005 1.00 0.00 H new ATOM 669 N TRP A 42 15.514 -4.678 -20.253 1.00 0.00 N ATOM 670 CA TRP A 42 14.639 -5.315 -19.276 1.00 0.00 C ATOM 671 C TRP A 42 13.463 -4.410 -18.926 1.00 0.00 C ATOM 672 O TRP A 42 13.583 -3.185 -18.944 1.00 0.00 O ATOM 673 CB TRP A 42 15.422 -5.667 -18.010 1.00 0.00 C ATOM 674 CG TRP A 42 16.577 -6.589 -18.263 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.717 -7.460 -19.306 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.751 -6.732 -17.457 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.908 -8.136 -19.197 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.561 -7.707 -18.072 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.199 -6.131 -16.278 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.791 -8.093 -17.544 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.419 -6.515 -15.756 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.204 -7.488 -16.389 1.00 0.00 C ATOM 0 H TRP A 42 15.944 -3.810 -19.932 1.00 0.00 H new ATOM 0 HA TRP A 42 14.249 -6.231 -19.719 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.792 -4.749 -17.553 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.747 -6.131 -17.291 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.997 -7.597 -20.100 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.250 -8.843 -19.848 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.602 -5.379 -15.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.397 -8.844 -18.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.774 -6.057 -14.844 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.154 -7.766 -15.956 1.00 0.00 H new ATOM 693 N LYS A 43 12.326 -5.020 -18.607 1.00 0.00 N ATOM 694 CA LYS A 43 11.128 -4.269 -18.251 1.00 0.00 C ATOM 695 C LYS A 43 11.014 -4.112 -16.738 1.00 0.00 C ATOM 696 O LYS A 43 11.054 -5.095 -15.998 1.00 0.00 O ATOM 697 CB LYS A 43 9.882 -4.968 -18.798 1.00 0.00 C ATOM 698 CG LYS A 43 8.587 -4.242 -18.477 1.00 0.00 C ATOM 699 CD LYS A 43 8.331 -3.102 -19.448 1.00 0.00 C ATOM 700 CE LYS A 43 7.112 -3.372 -20.316 1.00 0.00 C ATOM 701 NZ LYS A 43 7.177 -4.713 -20.961 1.00 0.00 N ATOM 0 H LYS A 43 12.209 -6.033 -18.588 1.00 0.00 H new ATOM 0 HA LYS A 43 11.205 -3.277 -18.696 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.976 -5.065 -19.880 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.833 -5.978 -18.390 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.756 -4.946 -18.514 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.630 -3.852 -17.460 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.185 -2.175 -18.893 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.206 -2.959 -20.082 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.210 -3.305 -19.707 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.036 -2.603 -21.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.313 -4.873 -21.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.005 -4.757 -21.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.258 -5.447 -20.229 1.00 0.00 H new ATOM 715 N VAL A 44 10.870 -2.871 -16.285 1.00 0.00 N ATOM 716 CA VAL A 44 10.747 -2.586 -14.861 1.00 0.00 C ATOM 717 C VAL A 44 9.596 -1.625 -14.590 1.00 0.00 C ATOM 718 O VAL A 44 9.055 -1.014 -15.511 1.00 0.00 O ATOM 719 CB VAL A 44 12.048 -1.985 -14.294 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.176 -3.004 -14.350 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.423 -0.720 -15.051 1.00 0.00 C ATOM 0 H VAL A 44 10.836 -2.046 -16.884 1.00 0.00 H new ATOM 0 HA VAL A 44 10.548 -3.536 -14.365 1.00 0.00 H new ATOM 0 HB VAL A 44 11.881 -1.721 -13.250 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.086 -2.562 -13.946 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.905 -3.880 -13.760 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.346 -3.302 -15.385 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.344 -0.308 -14.638 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.572 -0.957 -16.104 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.622 0.013 -14.954 1.00 0.00 H new ATOM 731 N GLU A 45 9.226 -1.496 -13.319 1.00 0.00 N ATOM 732 CA GLU A 45 8.137 -0.609 -12.927 1.00 0.00 C ATOM 733 C GLU A 45 8.658 0.553 -12.086 1.00 0.00 C ATOM 734 O GLU A 45 9.370 0.351 -11.102 1.00 0.00 O ATOM 735 CB GLU A 45 7.075 -1.383 -12.145 1.00 0.00 C ATOM 736 CG GLU A 45 6.026 -0.494 -11.499 1.00 0.00 C ATOM 737 CD GLU A 45 6.438 -0.013 -10.121 1.00 0.00 C ATOM 738 OE1 GLU A 45 6.773 -0.865 -9.272 1.00 0.00 O ATOM 739 OE2 GLU A 45 6.424 1.214 -9.891 1.00 0.00 O ATOM 0 H GLU A 45 9.664 -1.994 -12.544 1.00 0.00 H new ATOM 0 HA GLU A 45 7.687 -0.206 -13.834 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.581 -2.085 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.565 -1.974 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.841 0.368 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.087 -1.043 -11.423 1.00 0.00 H new ATOM 746 N VAL A 46 8.299 1.770 -12.480 1.00 0.00 N ATOM 747 CA VAL A 46 8.729 2.964 -11.763 1.00 0.00 C ATOM 748 C VAL A 46 7.537 3.712 -11.176 1.00 0.00 C ATOM 749 O VAL A 46 6.384 3.379 -11.451 1.00 0.00 O ATOM 750 CB VAL A 46 9.516 3.918 -12.682 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.688 3.193 -13.325 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.601 4.513 -13.741 1.00 0.00 C ATOM 0 H VAL A 46 7.711 1.955 -13.293 1.00 0.00 H new ATOM 0 HA VAL A 46 9.379 2.630 -10.955 1.00 0.00 H new ATOM 0 HB VAL A 46 9.912 4.734 -12.077 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.232 3.882 -13.971 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.355 2.820 -12.548 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.318 2.357 -13.918 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.174 5.184 -14.381 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.174 3.712 -14.345 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.798 5.070 -13.257 1.00 0.00 H new ATOM 762 N LYS A 47 7.822 4.724 -10.364 1.00 0.00 N ATOM 763 CA LYS A 47 6.774 5.522 -9.738 1.00 0.00 C ATOM 764 C LYS A 47 6.730 6.926 -10.333 1.00 0.00 C ATOM 765 O LYS A 47 7.745 7.448 -10.791 1.00 0.00 O ATOM 766 CB LYS A 47 7.002 5.604 -8.227 1.00 0.00 C ATOM 767 CG LYS A 47 6.437 4.421 -7.461 1.00 0.00 C ATOM 768 CD LYS A 47 6.723 4.531 -5.973 1.00 0.00 C ATOM 769 CE LYS A 47 5.705 5.420 -5.274 1.00 0.00 C ATOM 770 NZ LYS A 47 5.478 4.999 -3.864 1.00 0.00 N ATOM 0 H LYS A 47 8.771 5.011 -10.124 1.00 0.00 H new ATOM 0 HA LYS A 47 5.818 5.035 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.072 5.674 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.549 6.521 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.361 4.363 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.867 3.497 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.709 3.538 -5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.724 4.935 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.051 6.453 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.761 5.390 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.778 5.629 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.124 4.021 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.373 5.052 -3.337 1.00 0.00 H new ATOM 784 N ALA A 48 5.547 7.531 -10.321 1.00 0.00 N ATOM 785 CA ALA A 48 5.371 8.875 -10.857 1.00 0.00 C ATOM 786 C ALA A 48 4.364 9.668 -10.030 1.00 0.00 C ATOM 787 O ALA A 48 3.542 9.094 -9.315 1.00 0.00 O ATOM 788 CB ALA A 48 4.929 8.811 -12.311 1.00 0.00 C ATOM 0 H ALA A 48 4.696 7.112 -9.946 1.00 0.00 H new ATOM 0 HA ALA A 48 6.331 9.389 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.802 9.822 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.685 8.291 -12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.983 8.274 -12.380 1.00 0.00 H new ATOM 794 N THR A 49 4.433 10.992 -10.132 1.00 0.00 N ATOM 795 CA THR A 49 3.528 11.863 -9.393 1.00 0.00 C ATOM 796 C THR A 49 3.118 13.068 -10.232 1.00 0.00 C ATOM 797 O THR A 49 3.962 13.858 -10.655 1.00 0.00 O ATOM 798 CB THR A 49 4.171 12.358 -8.084 1.00 0.00 C ATOM 799 OG1 THR A 49 4.891 11.291 -7.457 1.00 0.00 O ATOM 800 CG2 THR A 49 3.112 12.891 -7.129 1.00 0.00 C ATOM 0 H THR A 49 5.106 11.484 -10.719 1.00 0.00 H new ATOM 0 HA THR A 49 2.644 11.272 -9.155 1.00 0.00 H new ATOM 0 HB THR A 49 4.860 13.167 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.298 11.615 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.589 13.235 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.585 13.722 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.402 12.098 -6.893 1.00 0.00 H new ATOM 808 N ALA A 50 1.817 13.204 -10.467 1.00 0.00 N ATOM 809 CA ALA A 50 1.295 14.315 -11.253 1.00 0.00 C ATOM 810 C ALA A 50 0.042 14.901 -10.611 1.00 0.00 C ATOM 811 O ALA A 50 -0.848 14.168 -10.183 1.00 0.00 O ATOM 812 CB ALA A 50 1.000 13.863 -12.676 1.00 0.00 C ATOM 0 H ALA A 50 1.105 12.559 -10.124 1.00 0.00 H new ATOM 0 HA ALA A 50 2.055 15.096 -11.282 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.611 14.703 -13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.917 13.499 -13.140 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.261 13.062 -12.658 1.00 0.00 H new ATOM 818 N ASN A 51 -0.019 16.227 -10.548 1.00 0.00 N ATOM 819 CA ASN A 51 -1.164 16.911 -9.956 1.00 0.00 C ATOM 820 C ASN A 51 -1.394 16.446 -8.522 1.00 0.00 C ATOM 821 O ASN A 51 -2.507 16.524 -8.004 1.00 0.00 O ATOM 822 CB ASN A 51 -2.421 16.664 -10.793 1.00 0.00 C ATOM 823 CG ASN A 51 -2.130 16.644 -12.281 1.00 0.00 C ATOM 824 OD1 ASN A 51 -1.849 17.680 -12.884 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.196 15.461 -12.881 1.00 0.00 N ATOM 0 H ASN A 51 0.709 16.849 -10.899 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.950 17.980 -9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.868 15.714 -10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.155 17.441 -10.579 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.010 15.385 -13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.433 14.628 -12.342 1.00 0.00 H new ATOM 832 N GLY A 52 -0.332 15.961 -7.885 1.00 0.00 N ATOM 833 CA GLY A 52 -0.440 15.490 -6.516 1.00 0.00 C ATOM 834 C GLY A 52 -0.790 14.017 -6.436 1.00 0.00 C ATOM 835 O GLY A 52 -0.673 13.400 -5.377 1.00 0.00 O ATOM 0 H GLY A 52 0.600 15.886 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.504 15.665 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.201 16.070 -5.994 1.00 0.00 H new ATOM 839 N LYS A 53 -1.223 13.451 -7.557 1.00 0.00 N ATOM 840 CA LYS A 53 -1.593 12.042 -7.610 1.00 0.00 C ATOM 841 C LYS A 53 -0.386 11.176 -7.960 1.00 0.00 C ATOM 842 O LYS A 53 0.346 11.465 -8.906 1.00 0.00 O ATOM 843 CB LYS A 53 -2.705 11.824 -8.638 1.00 0.00 C ATOM 844 CG LYS A 53 -4.095 11.768 -8.028 1.00 0.00 C ATOM 845 CD LYS A 53 -4.438 13.058 -7.303 1.00 0.00 C ATOM 846 CE LYS A 53 -4.595 14.218 -8.274 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.760 14.029 -9.181 1.00 0.00 N ATOM 0 H LYS A 53 -1.326 13.947 -8.442 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.955 11.750 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.672 12.629 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.515 10.894 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.830 11.583 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.154 10.931 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.362 12.926 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.655 13.290 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.717 15.146 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.686 14.321 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.999 14.935 -9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.520 13.330 -9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.576 13.690 -8.632 1.00 0.00 H new ATOM 861 N THR A 54 -0.186 10.110 -7.190 1.00 0.00 N ATOM 862 CA THR A 54 0.931 9.202 -7.418 1.00 0.00 C ATOM 863 C THR A 54 0.473 7.937 -8.134 1.00 0.00 C ATOM 864 O THR A 54 -0.497 7.298 -7.726 1.00 0.00 O ATOM 865 CB THR A 54 1.616 8.811 -6.095 1.00 0.00 C ATOM 866 OG1 THR A 54 0.653 8.774 -5.037 1.00 0.00 O ATOM 867 CG2 THR A 54 2.723 9.795 -5.747 1.00 0.00 C ATOM 0 H THR A 54 -0.783 9.855 -6.403 1.00 0.00 H new ATOM 0 HA THR A 54 1.647 9.732 -8.046 1.00 0.00 H new ATOM 0 HB THR A 54 2.057 7.822 -6.218 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.096 8.523 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.192 9.498 -4.809 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.470 9.798 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.301 10.795 -5.641 1.00 0.00 H new ATOM 875 N TYR A 55 1.177 7.579 -9.202 1.00 0.00 N ATOM 876 CA TYR A 55 0.841 6.390 -9.976 1.00 0.00 C ATOM 877 C TYR A 55 2.101 5.698 -10.486 1.00 0.00 C ATOM 878 O TYR A 55 3.103 6.349 -10.780 1.00 0.00 O ATOM 879 CB TYR A 55 -0.063 6.760 -11.153 1.00 0.00 C ATOM 880 CG TYR A 55 0.647 7.529 -12.244 1.00 0.00 C ATOM 881 CD1 TYR A 55 0.798 8.907 -12.164 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.166 6.876 -13.355 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.446 9.614 -13.158 1.00 0.00 C ATOM 884 CE2 TYR A 55 1.816 7.575 -14.354 1.00 0.00 C ATOM 885 CZ TYR A 55 1.953 8.943 -14.251 1.00 0.00 C ATOM 886 OH TYR A 55 2.599 9.643 -15.245 1.00 0.00 O ATOM 0 H TYR A 55 1.984 8.095 -9.552 1.00 0.00 H new ATOM 0 HA TYR A 55 0.309 5.700 -9.321 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.484 5.848 -11.578 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.899 7.356 -10.785 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.402 9.435 -11.309 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.060 5.805 -13.439 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.555 10.686 -13.080 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.215 7.053 -15.211 1.00 0.00 H new ATOM 0 HH TYR A 55 2.896 9.022 -15.942 1.00 0.00 H new ATOM 896 N GLU A 56 2.041 4.374 -10.590 1.00 0.00 N ATOM 897 CA GLU A 56 3.178 3.593 -11.065 1.00 0.00 C ATOM 898 C GLU A 56 3.037 3.276 -12.551 1.00 0.00 C ATOM 899 O GLU A 56 1.932 3.054 -13.047 1.00 0.00 O ATOM 900 CB GLU A 56 3.303 2.295 -10.265 1.00 0.00 C ATOM 901 CG GLU A 56 3.990 2.472 -8.921 1.00 0.00 C ATOM 902 CD GLU A 56 4.119 1.169 -8.156 1.00 0.00 C ATOM 903 OE1 GLU A 56 3.611 0.139 -8.647 1.00 0.00 O ATOM 904 OE2 GLU A 56 4.728 1.180 -7.065 1.00 0.00 O ATOM 0 H GLU A 56 1.218 3.820 -10.352 1.00 0.00 H new ATOM 0 HA GLU A 56 4.080 4.188 -10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.308 1.881 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.859 1.567 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.981 2.897 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.427 3.187 -8.321 1.00 0.00 H new ATOM 911 N ARG A 57 4.164 3.257 -13.255 1.00 0.00 N ATOM 912 CA ARG A 57 4.167 2.970 -14.684 1.00 0.00 C ATOM 913 C ARG A 57 5.322 2.042 -15.049 1.00 0.00 C ATOM 914 O ARG A 57 6.394 2.104 -14.448 1.00 0.00 O ATOM 915 CB ARG A 57 4.267 4.268 -15.487 1.00 0.00 C ATOM 916 CG ARG A 57 5.600 4.980 -15.328 1.00 0.00 C ATOM 917 CD ARG A 57 6.486 4.784 -16.549 1.00 0.00 C ATOM 918 NE ARG A 57 6.202 5.763 -17.595 1.00 0.00 N ATOM 919 CZ ARG A 57 6.658 7.011 -17.577 1.00 0.00 C ATOM 920 NH1 ARG A 57 7.416 7.429 -16.572 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.356 7.843 -18.565 1.00 0.00 N ATOM 0 H ARG A 57 5.087 3.437 -12.859 1.00 0.00 H new ATOM 0 HA ARG A 57 3.230 2.470 -14.931 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.107 4.046 -16.542 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.466 4.940 -15.177 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.428 6.045 -15.169 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.111 4.604 -14.442 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.532 4.862 -16.254 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.341 3.779 -16.944 1.00 0.00 H new ATOM 0 HE ARG A 57 5.622 5.473 -18.382 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.650 6.792 -15.811 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.765 8.387 -16.561 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.773 7.525 -19.339 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.706 8.801 -18.550 1.00 0.00 H new ATOM 935 N GLN A 58 5.095 1.183 -16.038 1.00 0.00 N ATOM 936 CA GLN A 58 6.117 0.243 -16.482 1.00 0.00 C ATOM 937 C GLN A 58 6.911 0.813 -17.653 1.00 0.00 C ATOM 938 O GLN A 58 6.464 1.742 -18.324 1.00 0.00 O ATOM 939 CB GLN A 58 5.476 -1.086 -16.885 1.00 0.00 C ATOM 940 CG GLN A 58 4.603 -1.695 -15.799 1.00 0.00 C ATOM 941 CD GLN A 58 3.637 -2.730 -16.339 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.443 -2.697 -16.040 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.148 -3.658 -17.140 1.00 0.00 N ATOM 0 H GLN A 58 4.213 1.119 -16.546 1.00 0.00 H new ATOM 0 HA GLN A 58 6.802 0.072 -15.652 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.873 -0.932 -17.780 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.262 -1.794 -17.147 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.239 -2.156 -15.043 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.041 -0.903 -15.303 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.144 -3.648 -17.362 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.545 -4.380 -17.533 1.00 0.00 H new ATOM 952 N GLY A 59 8.092 0.251 -17.891 1.00 0.00 N ATOM 953 CA GLY A 59 8.929 0.717 -18.980 1.00 0.00 C ATOM 954 C GLY A 59 10.127 -0.182 -19.217 1.00 0.00 C ATOM 955 O GLY A 59 10.303 -1.188 -18.529 1.00 0.00 O ATOM 0 H GLY A 59 8.484 -0.519 -17.349 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.335 0.773 -19.892 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.275 1.727 -18.762 1.00 0.00 H new ATOM 959 N PHE A 60 10.952 0.179 -20.194 1.00 0.00 N ATOM 960 CA PHE A 60 12.137 -0.604 -20.522 1.00 0.00 C ATOM 961 C PHE A 60 13.409 0.152 -20.147 1.00 0.00 C ATOM 962 O PHE A 60 13.436 1.382 -20.147 1.00 0.00 O ATOM 963 CB PHE A 60 12.154 -0.943 -22.014 1.00 0.00 C ATOM 964 CG PHE A 60 10.962 -1.739 -22.461 1.00 0.00 C ATOM 965 CD1 PHE A 60 9.813 -1.103 -22.905 1.00 0.00 C ATOM 966 CD2 PHE A 60 10.989 -3.124 -22.437 1.00 0.00 C ATOM 967 CE1 PHE A 60 8.715 -1.833 -23.317 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.893 -3.859 -22.849 1.00 0.00 C ATOM 969 CZ PHE A 60 8.754 -3.213 -23.288 1.00 0.00 C ATOM 0 H PHE A 60 10.822 1.009 -20.772 1.00 0.00 H new ATOM 0 HA PHE A 60 12.101 -1.529 -19.947 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.199 -0.018 -22.588 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.061 -1.503 -22.241 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.776 -0.024 -22.929 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.876 -3.635 -22.093 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.827 -1.325 -23.662 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.927 -4.938 -22.828 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.896 -3.786 -23.608 1.00 0.00 H new ATOM 979 N VAL A 61 14.461 -0.595 -19.826 1.00 0.00 N ATOM 980 CA VAL A 61 15.736 0.002 -19.448 1.00 0.00 C ATOM 981 C VAL A 61 16.906 -0.822 -19.973 1.00 0.00 C ATOM 982 O VAL A 61 16.807 -2.034 -20.164 1.00 0.00 O ATOM 983 CB VAL A 61 15.862 0.137 -17.919 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.730 0.987 -17.362 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.881 -1.236 -17.263 1.00 0.00 C ATOM 0 H VAL A 61 14.455 -1.615 -19.820 1.00 0.00 H new ATOM 0 HA VAL A 61 15.765 0.995 -19.896 1.00 0.00 H new ATOM 0 HB VAL A 61 16.804 0.636 -17.693 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.836 1.071 -16.280 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.768 1.981 -17.808 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.774 0.519 -17.597 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.971 -1.122 -16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.956 -1.764 -17.497 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.730 -1.807 -17.639 1.00 0.00 H new ATOM 995 N PRO A 62 18.043 -0.151 -20.211 1.00 0.00 N ATOM 996 CA PRO A 62 19.255 -0.803 -20.716 1.00 0.00 C ATOM 997 C PRO A 62 19.897 -1.717 -19.679 1.00 0.00 C ATOM 998 O PRO A 62 20.383 -1.255 -18.647 1.00 0.00 O ATOM 999 CB PRO A 62 20.181 0.373 -21.039 1.00 0.00 C ATOM 1000 CG PRO A 62 19.718 1.475 -20.150 1.00 0.00 C ATOM 1001 CD PRO A 62 18.232 1.294 -20.006 1.00 0.00 C ATOM 0 HA PRO A 62 19.046 -1.447 -21.570 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.224 0.120 -20.846 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.110 0.656 -22.089 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.213 1.428 -19.180 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.953 2.448 -20.580 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.882 1.610 -19.023 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.683 1.880 -20.743 1.00 0.00 H new ATOM 1009 N ALA A 63 19.895 -3.016 -19.959 1.00 0.00 N ATOM 1010 CA ALA A 63 20.480 -3.995 -19.051 1.00 0.00 C ATOM 1011 C ALA A 63 21.979 -3.765 -18.888 1.00 0.00 C ATOM 1012 O ALA A 63 22.604 -4.309 -17.978 1.00 0.00 O ATOM 1013 CB ALA A 63 20.211 -5.406 -19.552 1.00 0.00 C ATOM 0 H ALA A 63 19.495 -3.415 -20.808 1.00 0.00 H new ATOM 0 HA ALA A 63 20.012 -3.873 -18.074 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.653 -6.127 -18.864 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.135 -5.573 -19.610 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.651 -5.531 -20.541 1.00 0.00 H new ATOM 1019 N ALA A 64 22.549 -2.958 -19.776 1.00 0.00 N ATOM 1020 CA ALA A 64 23.975 -2.656 -19.729 1.00 0.00 C ATOM 1021 C ALA A 64 24.283 -1.629 -18.645 1.00 0.00 C ATOM 1022 O ALA A 64 25.414 -1.536 -18.168 1.00 0.00 O ATOM 1023 CB ALA A 64 24.453 -2.157 -21.084 1.00 0.00 C ATOM 0 H ALA A 64 22.046 -2.501 -20.537 1.00 0.00 H new ATOM 0 HA ALA A 64 24.508 -3.574 -19.484 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.519 -1.935 -21.035 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.276 -2.925 -21.837 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.906 -1.253 -21.352 1.00 0.00 H new ATOM 1029 N TYR A 65 23.271 -0.859 -18.262 1.00 0.00 N ATOM 1030 CA TYR A 65 23.435 0.165 -17.237 1.00 0.00 C ATOM 1031 C TYR A 65 22.828 -0.289 -15.912 1.00 0.00 C ATOM 1032 O TYR A 65 23.228 0.171 -14.843 1.00 0.00 O ATOM 1033 CB TYR A 65 22.785 1.475 -17.686 1.00 0.00 C ATOM 1034 CG TYR A 65 23.344 2.014 -18.983 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.629 1.689 -19.398 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.585 2.849 -19.795 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.144 2.180 -20.582 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.091 3.344 -20.981 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.371 3.007 -21.370 1.00 0.00 C ATOM 1040 OH TYR A 65 24.879 3.497 -22.551 1.00 0.00 O ATOM 0 H TYR A 65 22.328 -0.924 -18.646 1.00 0.00 H new ATOM 0 HA TYR A 65 24.503 0.329 -17.090 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.712 1.318 -17.800 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.917 2.223 -16.904 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.237 1.041 -18.784 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.583 3.115 -19.493 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.146 1.918 -20.889 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.488 3.991 -21.600 1.00 0.00 H new ATOM 0 HH TYR A 65 24.207 4.062 -22.986 1.00 0.00 H new ATOM 1050 N VAL A 66 21.859 -1.195 -15.992 1.00 0.00 N ATOM 1051 CA VAL A 66 21.198 -1.714 -14.801 1.00 0.00 C ATOM 1052 C VAL A 66 21.492 -3.198 -14.611 1.00 0.00 C ATOM 1053 O VAL A 66 21.666 -3.937 -15.580 1.00 0.00 O ATOM 1054 CB VAL A 66 19.673 -1.510 -14.873 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.342 -0.056 -15.172 1.00 0.00 C ATOM 1056 CG2 VAL A 66 19.061 -2.431 -15.917 1.00 0.00 C ATOM 0 H VAL A 66 21.514 -1.585 -16.869 1.00 0.00 H new ATOM 0 HA VAL A 66 21.593 -1.157 -13.952 1.00 0.00 H new ATOM 0 HB VAL A 66 19.244 -1.763 -13.903 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.260 0.069 -15.219 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.746 0.579 -14.384 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.782 0.228 -16.128 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.983 -2.273 -15.954 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.494 -2.213 -16.893 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.267 -3.468 -15.653 1.00 0.00 H new ATOM 1066 N LYS A 67 21.546 -3.628 -13.355 1.00 0.00 N ATOM 1067 CA LYS A 67 21.818 -5.024 -13.035 1.00 0.00 C ATOM 1068 C LYS A 67 21.077 -5.447 -11.771 1.00 0.00 C ATOM 1069 O LYS A 67 20.991 -4.688 -10.805 1.00 0.00 O ATOM 1070 CB LYS A 67 23.322 -5.245 -12.856 1.00 0.00 C ATOM 1071 CG LYS A 67 23.674 -6.608 -12.286 1.00 0.00 C ATOM 1072 CD LYS A 67 25.068 -7.045 -12.705 1.00 0.00 C ATOM 1073 CE LYS A 67 26.139 -6.367 -11.865 1.00 0.00 C ATOM 1074 NZ LYS A 67 26.388 -4.967 -12.307 1.00 0.00 N ATOM 0 H LYS A 67 21.405 -3.029 -12.542 1.00 0.00 H new ATOM 0 HA LYS A 67 21.464 -5.636 -13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.815 -5.126 -13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.718 -4.472 -12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.614 -6.575 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.944 -7.344 -12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.157 -8.127 -12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.224 -6.807 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.834 -6.369 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 67 27.065 -6.938 -11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 27.400 -4.746 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 26.106 -4.862 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 25.832 -4.313 -11.719 1.00 0.00 H new ATOM 1088 N LYS A 68 20.545 -6.664 -11.782 1.00 0.00 N ATOM 1089 CA LYS A 68 19.813 -7.190 -10.635 1.00 0.00 C ATOM 1090 C LYS A 68 20.693 -7.206 -9.389 1.00 0.00 C ATOM 1091 O LYS A 68 21.908 -7.391 -9.477 1.00 0.00 O ATOM 1092 CB LYS A 68 19.306 -8.603 -10.932 1.00 0.00 C ATOM 1093 CG LYS A 68 20.410 -9.643 -11.009 1.00 0.00 C ATOM 1094 CD LYS A 68 19.980 -10.856 -11.816 1.00 0.00 C ATOM 1095 CE LYS A 68 19.958 -10.555 -13.306 1.00 0.00 C ATOM 1096 NZ LYS A 68 19.194 -11.581 -14.068 1.00 0.00 N ATOM 0 H LYS A 68 20.607 -7.305 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 68 18.961 -6.536 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.597 -8.895 -10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.761 -8.593 -11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 68 21.297 -9.200 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.688 -9.955 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.661 -11.684 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.989 -11.176 -11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.513 -9.574 -13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.980 -10.509 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.203 -11.340 -15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.633 -12.514 -13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.212 -11.607 -13.727 1.00 0.00 H new