USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 527 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 100:sc= 0.857 USER MOD Single : A 16 GLN : amide:sc= -2.03 X(o=-2,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.021) USER MOD Single : A 19 SER OG : rot 108:sc= 1.28 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 25 MET CE :methyl -158:sc= -1.9 (180deg=-3.99!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc=-0.00776 (180deg=-0.157) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.45 X(o=-0.45,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 X(o=0,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0252) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= 0.545 (180deg=0.0111) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.71) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : A 55 TYR OH : rot 15:sc=-0.00175 USER MOD Single : A 58 GLN : amide:sc= -6.6! C(o=-6.6!,f=-4.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -148:sc= -0.329 (180deg=-1.5!) USER MOD Single : A 68 LYS NZ :NH3+ -111:sc= 0.0192 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -3.086 2.675 -9.333 1.00 0.00 N ATOM 89 CA GLU A 7 -3.489 4.069 -9.481 1.00 0.00 C ATOM 90 C GLU A 7 -3.014 4.902 -8.294 1.00 0.00 C ATOM 91 O GLU A 7 -3.782 5.184 -7.373 1.00 0.00 O ATOM 92 CB GLU A 7 -5.009 4.173 -9.616 1.00 0.00 C ATOM 93 CG GLU A 7 -5.468 5.379 -10.418 1.00 0.00 C ATOM 94 CD GLU A 7 -6.976 5.440 -10.568 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.634 4.398 -10.368 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.498 6.530 -10.884 1.00 0.00 O ATOM 0 HA GLU A 7 -3.024 4.460 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.386 3.267 -10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.451 4.219 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.118 6.289 -9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.009 5.350 -11.406 1.00 0.00 H new ATOM 103 N LEU A 8 -1.745 5.291 -8.321 1.00 0.00 N ATOM 104 CA LEU A 8 -1.166 6.092 -7.248 1.00 0.00 C ATOM 105 C LEU A 8 -1.341 7.581 -7.524 1.00 0.00 C ATOM 106 O LEU A 8 -1.247 8.027 -8.668 1.00 0.00 O ATOM 107 CB LEU A 8 0.318 5.763 -7.083 1.00 0.00 C ATOM 108 CG LEU A 8 0.644 4.552 -6.207 1.00 0.00 C ATOM 109 CD1 LEU A 8 0.290 4.832 -4.755 1.00 0.00 C ATOM 110 CD2 LEU A 8 -0.090 3.318 -6.709 1.00 0.00 C ATOM 0 H LEU A 8 -1.096 5.065 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.690 5.849 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.745 5.596 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.818 6.635 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 8 1.716 4.362 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.529 3.959 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.862 5.689 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.775 5.049 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.154 2.466 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.165 3.497 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.214 3.105 -7.734 1.00 0.00 H new ATOM 122 N VAL A 9 -1.594 8.348 -6.468 1.00 0.00 N ATOM 123 CA VAL A 9 -1.779 9.789 -6.596 1.00 0.00 C ATOM 124 C VAL A 9 -0.825 10.548 -5.681 1.00 0.00 C ATOM 125 O VAL A 9 -0.573 10.136 -4.548 1.00 0.00 O ATOM 126 CB VAL A 9 -3.226 10.201 -6.266 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.180 9.708 -7.344 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.633 9.670 -4.900 1.00 0.00 C ATOM 0 H VAL A 9 -1.676 7.996 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.564 10.045 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.278 11.289 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.198 10.008 -7.094 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.899 10.141 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.127 8.621 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.658 9.971 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.566 8.582 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.967 10.076 -4.139 1.00 0.00 H new ATOM 138 N LEU A 10 -0.297 11.661 -6.179 1.00 0.00 N ATOM 139 CA LEU A 10 0.630 12.480 -5.406 1.00 0.00 C ATOM 140 C LEU A 10 -0.063 13.730 -4.872 1.00 0.00 C ATOM 141 O LEU A 10 -0.931 14.300 -5.532 1.00 0.00 O ATOM 142 CB LEU A 10 1.830 12.878 -6.266 1.00 0.00 C ATOM 143 CG LEU A 10 2.750 13.951 -5.682 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.554 13.389 -4.520 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.675 14.503 -6.757 1.00 0.00 C ATOM 0 H LEU A 10 -0.495 12.017 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 10 0.978 11.889 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.424 11.985 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.460 13.230 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 10 2.133 14.768 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.203 14.166 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.875 13.043 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.162 12.554 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.322 15.265 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.285 13.696 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.081 14.944 -7.557 1.00 0.00 H new ATOM 157 N ALA A 11 0.328 14.151 -3.673 1.00 0.00 N ATOM 158 CA ALA A 11 -0.252 15.336 -3.053 1.00 0.00 C ATOM 159 C ALA A 11 0.541 16.588 -3.411 1.00 0.00 C ATOM 160 O ALA A 11 1.751 16.653 -3.191 1.00 0.00 O ATOM 161 CB ALA A 11 -0.315 15.163 -1.543 1.00 0.00 C ATOM 0 H ALA A 11 1.044 13.689 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.265 15.458 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.750 16.055 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.931 14.297 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.691 15.013 -1.152 1.00 0.00 H new ATOM 167 N LEU A 12 -0.147 17.580 -3.965 1.00 0.00 N ATOM 168 CA LEU A 12 0.494 18.831 -4.355 1.00 0.00 C ATOM 169 C LEU A 12 0.514 19.818 -3.192 1.00 0.00 C ATOM 170 O LEU A 12 1.473 20.570 -3.020 1.00 0.00 O ATOM 171 CB LEU A 12 -0.234 19.449 -5.550 1.00 0.00 C ATOM 172 CG LEU A 12 -0.315 18.582 -6.807 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.224 19.226 -7.842 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.073 18.349 -7.386 1.00 0.00 C ATOM 0 H LEU A 12 -1.149 17.543 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 12 1.523 18.610 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.248 19.702 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.263 20.384 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.739 17.616 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.269 18.595 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.225 19.340 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.830 20.205 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.995 17.730 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.524 19.307 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.695 17.843 -6.648 1.00 0.00 H new ATOM 186 N TYR A 13 -0.549 19.808 -2.396 1.00 0.00 N ATOM 187 CA TYR A 13 -0.654 20.702 -1.249 1.00 0.00 C ATOM 188 C TYR A 13 -0.736 19.911 0.053 1.00 0.00 C ATOM 189 O TYR A 13 -0.739 18.680 0.045 1.00 0.00 O ATOM 190 CB TYR A 13 -1.882 21.603 -1.389 1.00 0.00 C ATOM 191 CG TYR A 13 -1.868 22.456 -2.638 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.238 21.927 -3.868 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.485 23.791 -2.587 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.226 22.702 -5.012 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.472 24.574 -3.725 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.843 24.025 -4.935 1.00 0.00 C ATOM 197 OH TYR A 13 -1.829 24.801 -6.071 1.00 0.00 O ATOM 0 H TYR A 13 -1.351 19.190 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 13 0.242 21.322 -1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.779 20.983 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.947 22.253 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.540 20.892 -3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.193 24.224 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.515 22.274 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.173 25.610 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.536 25.708 -5.844 1.00 0.00 H new ATOM 207 N ASP A 14 -0.802 20.628 1.169 1.00 0.00 N ATOM 208 CA ASP A 14 -0.886 19.995 2.480 1.00 0.00 C ATOM 209 C ASP A 14 -2.335 19.894 2.944 1.00 0.00 C ATOM 210 O ASP A 14 -3.138 20.797 2.706 1.00 0.00 O ATOM 211 CB ASP A 14 -0.063 20.781 3.503 1.00 0.00 C ATOM 212 CG ASP A 14 -0.822 21.965 4.069 1.00 0.00 C ATOM 213 OD1 ASP A 14 -1.234 22.839 3.277 1.00 0.00 O ATOM 214 OD2 ASP A 14 -1.005 22.017 5.303 1.00 0.00 O ATOM 0 H ASP A 14 -0.799 21.648 1.192 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.480 18.987 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.229 20.118 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.855 21.133 3.033 1.00 0.00 H new ATOM 219 N TYR A 15 -2.664 18.791 3.606 1.00 0.00 N ATOM 220 CA TYR A 15 -4.018 18.570 4.100 1.00 0.00 C ATOM 221 C TYR A 15 -3.995 17.929 5.484 1.00 0.00 C ATOM 222 O TYR A 15 -3.006 17.311 5.877 1.00 0.00 O ATOM 223 CB TYR A 15 -4.800 17.685 3.128 1.00 0.00 C ATOM 224 CG TYR A 15 -6.274 17.588 3.451 1.00 0.00 C ATOM 225 CD1 TYR A 15 -7.108 18.692 3.322 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.833 16.391 3.883 1.00 0.00 C ATOM 227 CE1 TYR A 15 -8.455 18.607 3.617 1.00 0.00 C ATOM 228 CE2 TYR A 15 -8.180 16.297 4.178 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.986 17.408 4.044 1.00 0.00 C ATOM 230 OH TYR A 15 -10.328 17.319 4.336 1.00 0.00 O ATOM 0 H TYR A 15 -2.011 18.035 3.813 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.512 19.538 4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.683 18.077 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.369 16.684 3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.696 19.632 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.204 15.520 3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.089 19.475 3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.599 15.359 4.511 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.802 16.917 3.578 1.00 0.00 H new ATOM 240 N GLN A 16 -5.093 18.081 6.218 1.00 0.00 N ATOM 241 CA GLN A 16 -5.200 17.517 7.558 1.00 0.00 C ATOM 242 C GLN A 16 -6.466 16.677 7.696 1.00 0.00 C ATOM 243 O GLN A 16 -7.451 16.904 6.995 1.00 0.00 O ATOM 244 CB GLN A 16 -5.196 18.632 8.605 1.00 0.00 C ATOM 245 CG GLN A 16 -6.104 19.799 8.254 1.00 0.00 C ATOM 246 CD GLN A 16 -7.570 19.414 8.237 1.00 0.00 C ATOM 247 OE1 GLN A 16 -8.114 18.953 9.241 1.00 0.00 O ATOM 248 NE2 GLN A 16 -8.218 19.601 7.093 1.00 0.00 N ATOM 0 H GLN A 16 -5.921 18.590 5.907 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.338 16.871 7.723 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.504 18.218 9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.177 18.999 8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.952 20.602 8.975 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.824 20.191 7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.727 19.986 6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.206 19.360 7.021 1.00 0.00 H new ATOM 257 N GLU A 17 -6.431 15.708 8.605 1.00 0.00 N ATOM 258 CA GLU A 17 -7.576 14.834 8.834 1.00 0.00 C ATOM 259 C GLU A 17 -8.379 15.296 10.045 1.00 0.00 C ATOM 260 O GLU A 17 -7.817 15.615 11.093 1.00 0.00 O ATOM 261 CB GLU A 17 -7.111 13.390 9.037 1.00 0.00 C ATOM 262 CG GLU A 17 -6.480 13.139 10.396 1.00 0.00 C ATOM 263 CD GLU A 17 -5.771 11.801 10.472 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.454 11.236 9.405 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.534 11.319 11.599 1.00 0.00 O ATOM 0 H GLU A 17 -5.623 15.508 9.195 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.218 14.881 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.963 12.722 8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.391 13.136 8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.769 13.936 10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.252 13.181 11.164 1.00 0.00 H new ATOM 272 N LYS A 18 -9.699 15.331 9.894 1.00 0.00 N ATOM 273 CA LYS A 18 -10.583 15.754 10.974 1.00 0.00 C ATOM 274 C LYS A 18 -11.242 14.550 11.640 1.00 0.00 C ATOM 275 O LYS A 18 -11.451 14.537 12.853 1.00 0.00 O ATOM 276 CB LYS A 18 -11.655 16.706 10.441 1.00 0.00 C ATOM 277 CG LYS A 18 -12.596 17.225 11.514 1.00 0.00 C ATOM 278 CD LYS A 18 -14.006 17.411 10.978 1.00 0.00 C ATOM 279 CE LYS A 18 -15.049 17.182 12.060 1.00 0.00 C ATOM 280 NZ LYS A 18 -14.918 18.163 13.173 1.00 0.00 N ATOM 0 H LYS A 18 -10.180 15.071 9.033 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.982 16.275 11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.169 17.552 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.238 16.192 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.613 16.528 12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.223 18.175 11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.113 18.418 10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.177 16.718 10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.046 17.257 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.948 16.171 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.697 18.028 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.010 18.018 13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.955 19.129 12.790 1.00 0.00 H new ATOM 294 N SER A 19 -11.565 13.540 10.840 1.00 0.00 N ATOM 295 CA SER A 19 -12.203 12.332 11.352 1.00 0.00 C ATOM 296 C SER A 19 -11.256 11.139 11.265 1.00 0.00 C ATOM 297 O SER A 19 -10.273 11.147 10.523 1.00 0.00 O ATOM 298 CB SER A 19 -13.485 12.038 10.572 1.00 0.00 C ATOM 299 OG SER A 19 -13.797 13.097 9.684 1.00 0.00 O ATOM 0 H SER A 19 -11.396 13.533 9.834 1.00 0.00 H new ATOM 0 HA SER A 19 -12.454 12.499 12.400 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.368 11.111 10.010 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.311 11.887 11.267 1.00 0.00 H new ATOM 0 HG SER A 19 -13.632 12.810 8.762 1.00 0.00 H new ATOM 305 N PRO A 20 -11.557 10.088 12.041 1.00 0.00 N ATOM 306 CA PRO A 20 -10.747 8.867 12.070 1.00 0.00 C ATOM 307 C PRO A 20 -10.856 8.068 10.776 1.00 0.00 C ATOM 308 O PRO A 20 -10.043 7.181 10.513 1.00 0.00 O ATOM 309 CB PRO A 20 -11.339 8.076 13.239 1.00 0.00 C ATOM 310 CG PRO A 20 -12.743 8.561 13.352 1.00 0.00 C ATOM 311 CD PRO A 20 -12.714 10.010 12.949 1.00 0.00 C ATOM 0 HA PRO A 20 -9.685 9.085 12.180 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.305 7.003 13.049 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.783 8.254 14.160 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.407 7.989 12.704 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.115 8.446 14.370 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.637 10.307 12.451 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.593 10.665 13.812 1.00 0.00 H new ATOM 319 N ARG A 21 -11.864 8.387 9.971 1.00 0.00 N ATOM 320 CA ARG A 21 -12.079 7.698 8.705 1.00 0.00 C ATOM 321 C ARG A 21 -11.207 8.297 7.605 1.00 0.00 C ATOM 322 O ARG A 21 -10.859 7.620 6.639 1.00 0.00 O ATOM 323 CB ARG A 21 -13.552 7.776 8.302 1.00 0.00 C ATOM 324 CG ARG A 21 -13.970 6.700 7.312 1.00 0.00 C ATOM 325 CD ARG A 21 -15.397 6.911 6.830 1.00 0.00 C ATOM 326 NE ARG A 21 -15.908 5.749 6.107 1.00 0.00 N ATOM 327 CZ ARG A 21 -17.020 5.766 5.381 1.00 0.00 C ATOM 328 NH1 ARG A 21 -17.733 6.879 5.281 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.420 4.668 4.752 1.00 0.00 N ATOM 0 H ARG A 21 -12.545 9.119 10.174 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.800 6.653 8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.170 7.695 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.749 8.755 7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.292 6.706 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.884 5.720 7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.041 7.118 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.435 7.787 6.182 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.382 4.877 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.428 7.725 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.587 6.889 4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.873 3.810 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.274 4.682 4.195 1.00 0.00 H new ATOM 343 N GLU A 22 -10.860 9.571 7.760 1.00 0.00 N ATOM 344 CA GLU A 22 -10.030 10.261 6.779 1.00 0.00 C ATOM 345 C GLU A 22 -8.549 10.014 7.050 1.00 0.00 C ATOM 346 O GLU A 22 -8.186 9.345 8.017 1.00 0.00 O ATOM 347 CB GLU A 22 -10.320 11.763 6.799 1.00 0.00 C ATOM 348 CG GLU A 22 -11.413 12.184 5.831 1.00 0.00 C ATOM 349 CD GLU A 22 -12.802 11.844 6.335 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.974 11.721 7.565 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.718 11.701 5.497 1.00 0.00 O ATOM 0 H GLU A 22 -11.140 10.146 8.555 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.272 9.865 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.608 12.056 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.405 12.305 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.346 13.258 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.250 11.696 4.870 1.00 0.00 H new ATOM 358 N VAL A 23 -7.697 10.560 6.188 1.00 0.00 N ATOM 359 CA VAL A 23 -6.255 10.401 6.333 1.00 0.00 C ATOM 360 C VAL A 23 -5.529 11.718 6.084 1.00 0.00 C ATOM 361 O VAL A 23 -5.945 12.522 5.250 1.00 0.00 O ATOM 362 CB VAL A 23 -5.708 9.335 5.365 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.235 7.957 5.735 1.00 0.00 C ATOM 364 CG2 VAL A 23 -6.067 9.685 3.929 1.00 0.00 C ATOM 0 H VAL A 23 -7.981 11.117 5.382 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.074 10.078 7.358 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.621 9.316 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.838 7.217 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.922 7.708 6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.324 7.957 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.673 8.921 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.151 9.733 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.635 10.652 3.671 1.00 0.00 H new ATOM 374 N THR A 24 -4.438 11.933 6.814 1.00 0.00 N ATOM 375 CA THR A 24 -3.653 13.153 6.673 1.00 0.00 C ATOM 376 C THR A 24 -2.582 12.997 5.601 1.00 0.00 C ATOM 377 O THR A 24 -1.862 12.000 5.570 1.00 0.00 O ATOM 378 CB THR A 24 -2.980 13.544 8.002 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.975 13.775 9.006 1.00 0.00 O ATOM 380 CG2 THR A 24 -2.127 14.792 7.830 1.00 0.00 C ATOM 0 H THR A 24 -4.079 11.278 7.508 1.00 0.00 H new ATOM 0 HA THR A 24 -4.345 13.942 6.378 1.00 0.00 H new ATOM 0 HB THR A 24 -2.335 12.722 8.313 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.539 14.021 9.848 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.662 15.049 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.352 14.604 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.755 15.619 7.498 1.00 0.00 H new ATOM 388 N MET A 25 -2.481 13.989 4.722 1.00 0.00 N ATOM 389 CA MET A 25 -1.495 13.962 3.649 1.00 0.00 C ATOM 390 C MET A 25 -0.754 15.292 3.556 1.00 0.00 C ATOM 391 O MET A 25 -1.225 16.313 4.059 1.00 0.00 O ATOM 392 CB MET A 25 -2.172 13.648 2.313 1.00 0.00 C ATOM 393 CG MET A 25 -3.334 14.573 1.989 1.00 0.00 C ATOM 394 SD MET A 25 -4.062 14.233 0.375 1.00 0.00 S ATOM 395 CE MET A 25 -4.781 15.827 -0.015 1.00 0.00 C ATOM 0 H MET A 25 -3.070 14.821 4.732 1.00 0.00 H new ATOM 0 HA MET A 25 -0.771 13.179 3.875 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.432 13.714 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.531 12.619 2.330 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.100 14.471 2.758 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.990 15.607 2.018 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.573 15.698 -0.752 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.196 16.270 0.890 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.011 16.484 -0.421 1.00 0.00 H new ATOM 405 N LYS A 26 0.407 15.275 2.912 1.00 0.00 N ATOM 406 CA LYS A 26 1.213 16.479 2.752 1.00 0.00 C ATOM 407 C LYS A 26 1.850 16.529 1.368 1.00 0.00 C ATOM 408 O LYS A 26 2.049 15.496 0.727 1.00 0.00 O ATOM 409 CB LYS A 26 2.300 16.536 3.828 1.00 0.00 C ATOM 410 CG LYS A 26 1.761 16.432 5.244 1.00 0.00 C ATOM 411 CD LYS A 26 2.881 16.453 6.270 1.00 0.00 C ATOM 412 CE LYS A 26 3.747 15.206 6.175 1.00 0.00 C ATOM 413 NZ LYS A 26 4.586 15.019 7.392 1.00 0.00 N ATOM 0 H LYS A 26 0.812 14.439 2.491 1.00 0.00 H new ATOM 0 HA LYS A 26 0.556 17.342 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.010 15.727 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.852 17.471 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.076 17.258 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.187 15.511 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.498 17.338 6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.457 16.528 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.111 14.332 6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.390 15.276 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.161 14.159 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.211 15.841 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.972 14.926 8.226 1.00 0.00 H new ATOM 427 N LYS A 27 2.170 17.735 0.911 1.00 0.00 N ATOM 428 CA LYS A 27 2.788 17.919 -0.397 1.00 0.00 C ATOM 429 C LYS A 27 4.013 17.024 -0.551 1.00 0.00 C ATOM 430 O LYS A 27 5.023 17.216 0.124 1.00 0.00 O ATOM 431 CB LYS A 27 3.185 19.384 -0.594 1.00 0.00 C ATOM 432 CG LYS A 27 3.871 19.996 0.615 1.00 0.00 C ATOM 433 CD LYS A 27 2.952 20.956 1.352 1.00 0.00 C ATOM 434 CE LYS A 27 2.713 22.225 0.549 1.00 0.00 C ATOM 435 NZ LYS A 27 3.936 23.071 0.470 1.00 0.00 N ATOM 0 H LYS A 27 2.011 18.600 1.428 1.00 0.00 H new ATOM 0 HA LYS A 27 2.059 17.641 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.849 19.459 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.293 19.965 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.190 19.204 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.770 20.524 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.999 20.467 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.389 21.212 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.388 21.962 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.905 22.797 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.681 24.020 0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.367 23.147 1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.616 22.638 -0.187 1.00 0.00 H new ATOM 449 N GLY A 28 3.916 16.045 -1.446 1.00 0.00 N ATOM 450 CA GLY A 28 5.024 15.136 -1.673 1.00 0.00 C ATOM 451 C GLY A 28 4.664 13.695 -1.368 1.00 0.00 C ATOM 452 O GLY A 28 5.314 12.769 -1.854 1.00 0.00 O ATOM 0 H GLY A 28 3.090 15.866 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.347 15.215 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.869 15.435 -1.052 1.00 0.00 H new ATOM 456 N ASP A 29 3.628 13.505 -0.559 1.00 0.00 N ATOM 457 CA ASP A 29 3.182 12.167 -0.188 1.00 0.00 C ATOM 458 C ASP A 29 2.445 11.499 -1.345 1.00 0.00 C ATOM 459 O ASP A 29 2.009 12.167 -2.284 1.00 0.00 O ATOM 460 CB ASP A 29 2.276 12.230 1.042 1.00 0.00 C ATOM 461 CG ASP A 29 3.060 12.263 2.339 1.00 0.00 C ATOM 462 OD1 ASP A 29 4.193 11.738 2.360 1.00 0.00 O ATOM 463 OD2 ASP A 29 2.541 12.813 3.333 1.00 0.00 O ATOM 0 H ASP A 29 3.081 14.261 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 29 4.063 11.571 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.645 13.117 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.612 11.366 1.045 1.00 0.00 H new ATOM 468 N ILE A 30 2.311 10.180 -1.272 1.00 0.00 N ATOM 469 CA ILE A 30 1.627 9.423 -2.313 1.00 0.00 C ATOM 470 C ILE A 30 0.698 8.375 -1.710 1.00 0.00 C ATOM 471 O ILE A 30 1.093 7.613 -0.827 1.00 0.00 O ATOM 472 CB ILE A 30 2.629 8.725 -3.252 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.564 9.754 -3.891 1.00 0.00 C ATOM 474 CG2 ILE A 30 1.890 7.936 -4.323 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.777 9.139 -4.553 1.00 0.00 C ATOM 0 H ILE A 30 2.667 9.613 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 30 1.039 10.138 -2.889 1.00 0.00 H new ATOM 0 HB ILE A 30 3.230 8.030 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.007 10.328 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.895 10.457 -3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.611 7.449 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.261 7.181 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.267 8.612 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.395 9.927 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.356 8.589 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.455 8.458 -5.341 1.00 0.00 H new ATOM 487 N LEU A 31 -0.539 8.340 -2.194 1.00 0.00 N ATOM 488 CA LEU A 31 -1.526 7.384 -1.705 1.00 0.00 C ATOM 489 C LEU A 31 -2.025 6.490 -2.836 1.00 0.00 C ATOM 490 O LEU A 31 -1.791 6.769 -4.012 1.00 0.00 O ATOM 491 CB LEU A 31 -2.703 8.119 -1.062 1.00 0.00 C ATOM 492 CG LEU A 31 -2.345 9.166 -0.007 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.217 10.402 -0.163 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.487 8.584 1.392 1.00 0.00 C ATOM 0 H LEU A 31 -0.882 8.963 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.046 6.755 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.275 8.608 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.360 7.380 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.306 9.460 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.947 11.136 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.065 10.832 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.265 10.125 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.228 9.343 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.516 8.261 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.818 7.730 1.500 1.00 0.00 H new ATOM 506 N THR A 32 -2.719 5.416 -2.472 1.00 0.00 N ATOM 507 CA THR A 32 -3.253 4.482 -3.455 1.00 0.00 C ATOM 508 C THR A 32 -4.716 4.784 -3.761 1.00 0.00 C ATOM 509 O THR A 32 -5.607 4.448 -2.980 1.00 0.00 O ATOM 510 CB THR A 32 -3.132 3.025 -2.970 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.760 2.707 -2.713 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.696 2.062 -4.004 1.00 0.00 C ATOM 0 H THR A 32 -2.924 5.172 -1.503 1.00 0.00 H new ATOM 0 HA THR A 32 -2.661 4.605 -4.362 1.00 0.00 H new ATOM 0 HB THR A 32 -3.707 2.922 -2.050 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.692 1.780 -2.403 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.600 1.039 -3.639 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.748 2.288 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.145 2.168 -4.938 1.00 0.00 H new ATOM 520 N LEU A 33 -4.957 5.418 -4.903 1.00 0.00 N ATOM 521 CA LEU A 33 -6.314 5.765 -5.314 1.00 0.00 C ATOM 522 C LEU A 33 -7.208 4.530 -5.338 1.00 0.00 C ATOM 523 O LEU A 33 -7.048 3.651 -6.185 1.00 0.00 O ATOM 524 CB LEU A 33 -6.297 6.423 -6.694 1.00 0.00 C ATOM 525 CG LEU A 33 -7.333 7.525 -6.925 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.731 7.016 -6.613 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.007 8.749 -6.082 1.00 0.00 C ATOM 0 H LEU A 33 -4.231 5.702 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.719 6.470 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.305 6.843 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.446 5.648 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.300 7.814 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.455 7.813 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.963 6.171 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.779 6.699 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.754 9.522 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.011 8.476 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.022 9.127 -6.355 1.00 0.00 H new ATOM 539 N LEU A 34 -8.151 4.470 -4.404 1.00 0.00 N ATOM 540 CA LEU A 34 -9.073 3.344 -4.318 1.00 0.00 C ATOM 541 C LEU A 34 -10.373 3.646 -5.057 1.00 0.00 C ATOM 542 O LEU A 34 -10.940 2.777 -5.717 1.00 0.00 O ATOM 543 CB LEU A 34 -9.371 3.013 -2.855 1.00 0.00 C ATOM 544 CG LEU A 34 -9.421 1.526 -2.500 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.811 1.284 -1.128 1.00 0.00 C ATOM 546 CD2 LEU A 34 -10.853 1.015 -2.546 1.00 0.00 C ATOM 0 H LEU A 34 -8.297 5.189 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.600 2.483 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.612 3.489 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.328 3.462 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.836 0.976 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.855 0.221 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.772 1.612 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.368 1.845 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.870 -0.045 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.460 1.570 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.256 1.153 -3.549 1.00 0.00 H new ATOM 558 N ASN A 35 -10.837 4.887 -4.943 1.00 0.00 N ATOM 559 CA ASN A 35 -12.069 5.305 -5.603 1.00 0.00 C ATOM 560 C ASN A 35 -11.989 6.768 -6.027 1.00 0.00 C ATOM 561 O ASN A 35 -11.879 7.663 -5.189 1.00 0.00 O ATOM 562 CB ASN A 35 -13.266 5.097 -4.672 1.00 0.00 C ATOM 563 CG ASN A 35 -14.445 4.459 -5.381 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.089 3.555 -4.849 1.00 0.00 O ATOM 565 ND2 ASN A 35 -14.734 4.930 -6.589 1.00 0.00 N ATOM 0 H ASN A 35 -10.379 5.619 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.200 4.693 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.966 4.468 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.571 6.057 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.517 4.541 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.173 5.681 -6.991 1.00 0.00 H new ATOM 572 N SER A 36 -12.045 7.004 -7.334 1.00 0.00 N ATOM 573 CA SER A 36 -11.976 8.358 -7.870 1.00 0.00 C ATOM 574 C SER A 36 -13.287 8.740 -8.551 1.00 0.00 C ATOM 575 O SER A 36 -13.309 9.565 -9.465 1.00 0.00 O ATOM 576 CB SER A 36 -10.819 8.477 -8.863 1.00 0.00 C ATOM 577 OG SER A 36 -10.573 7.241 -9.511 1.00 0.00 O ATOM 0 H SER A 36 -12.138 6.275 -8.041 1.00 0.00 H new ATOM 0 HA SER A 36 -11.805 9.043 -7.040 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.050 9.241 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.919 8.803 -8.341 1.00 0.00 H new ATOM 0 HG SER A 36 -9.830 7.344 -10.142 1.00 0.00 H new ATOM 583 N THR A 37 -14.380 8.134 -8.098 1.00 0.00 N ATOM 584 CA THR A 37 -15.696 8.409 -8.662 1.00 0.00 C ATOM 585 C THR A 37 -16.070 9.877 -8.496 1.00 0.00 C ATOM 586 O THR A 37 -16.688 10.474 -9.377 1.00 0.00 O ATOM 587 CB THR A 37 -16.782 7.537 -8.006 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.060 7.830 -8.581 1.00 0.00 O ATOM 589 CG2 THR A 37 -16.831 7.772 -6.504 1.00 0.00 C ATOM 0 H THR A 37 -14.380 7.449 -7.342 1.00 0.00 H new ATOM 0 HA THR A 37 -15.641 8.169 -9.724 1.00 0.00 H new ATOM 0 HB THR A 37 -16.534 6.491 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.745 7.270 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.606 7.145 -6.063 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.866 7.520 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.056 8.820 -6.307 1.00 0.00 H new ATOM 597 N ASN A 38 -15.690 10.455 -7.361 1.00 0.00 N ATOM 598 CA ASN A 38 -15.986 11.855 -7.079 1.00 0.00 C ATOM 599 C ASN A 38 -14.924 12.768 -7.685 1.00 0.00 C ATOM 600 O ASN A 38 -13.912 12.301 -8.207 1.00 0.00 O ATOM 601 CB ASN A 38 -16.072 12.086 -5.569 1.00 0.00 C ATOM 602 CG ASN A 38 -17.504 12.177 -5.079 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.169 11.160 -4.879 1.00 0.00 O ATOM 604 ND2 ASN A 38 -17.986 13.398 -4.883 1.00 0.00 N ATOM 0 H ASN A 38 -15.176 9.975 -6.622 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.948 12.095 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.564 11.273 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.544 13.005 -5.314 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.943 13.522 -4.554 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.399 14.213 -5.062 1.00 0.00 H new ATOM 611 N LYS A 39 -15.162 14.073 -7.612 1.00 0.00 N ATOM 612 CA LYS A 39 -14.227 15.053 -8.150 1.00 0.00 C ATOM 613 C LYS A 39 -13.583 15.863 -7.030 1.00 0.00 C ATOM 614 O LYS A 39 -12.402 16.207 -7.099 1.00 0.00 O ATOM 615 CB LYS A 39 -14.944 15.991 -9.125 1.00 0.00 C ATOM 616 CG LYS A 39 -15.252 15.352 -10.468 1.00 0.00 C ATOM 617 CD LYS A 39 -15.902 16.342 -11.420 1.00 0.00 C ATOM 618 CE LYS A 39 -15.827 15.860 -12.861 1.00 0.00 C ATOM 619 NZ LYS A 39 -16.506 14.547 -13.043 1.00 0.00 N ATOM 0 H LYS A 39 -15.996 14.477 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.443 14.515 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.875 16.330 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.327 16.875 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.332 14.971 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.913 14.498 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.945 16.489 -11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.409 17.310 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.287 16.600 -13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.783 15.773 -13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.522 14.302 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.990 13.813 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.481 14.608 -12.686 1.00 0.00 H new ATOM 633 N ASP A 40 -14.364 16.164 -5.999 1.00 0.00 N ATOM 634 CA ASP A 40 -13.869 16.932 -4.862 1.00 0.00 C ATOM 635 C ASP A 40 -13.213 16.017 -3.833 1.00 0.00 C ATOM 636 O ASP A 40 -12.078 16.248 -3.417 1.00 0.00 O ATOM 637 CB ASP A 40 -15.010 17.716 -4.212 1.00 0.00 C ATOM 638 CG ASP A 40 -15.731 18.613 -5.198 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.179 19.679 -5.544 1.00 0.00 O ATOM 640 OD2 ASP A 40 -16.847 18.250 -5.625 1.00 0.00 O ATOM 0 H ASP A 40 -15.343 15.888 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.120 17.634 -5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.722 17.018 -3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.613 18.322 -3.397 1.00 0.00 H new ATOM 645 N TRP A 41 -13.935 14.979 -3.426 1.00 0.00 N ATOM 646 CA TRP A 41 -13.423 14.030 -2.444 1.00 0.00 C ATOM 647 C TRP A 41 -12.953 12.747 -3.121 1.00 0.00 C ATOM 648 O TRP A 41 -13.729 12.072 -3.799 1.00 0.00 O ATOM 649 CB TRP A 41 -14.500 13.709 -1.406 1.00 0.00 C ATOM 650 CG TRP A 41 -14.810 14.859 -0.497 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.942 15.623 -0.499 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.977 15.376 0.546 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.863 16.584 0.480 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.667 16.453 1.135 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.715 15.033 1.040 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.136 17.189 2.192 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.190 15.764 2.089 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.899 16.831 2.656 1.00 0.00 C ATOM 0 H TRP A 41 -14.876 14.773 -3.761 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.570 14.487 -1.943 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.412 13.406 -1.921 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.175 12.859 -0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.777 15.491 -1.171 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.578 17.281 0.686 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.161 14.212 0.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.681 18.012 2.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.216 15.508 2.479 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.461 17.382 3.475 1.00 0.00 H new ATOM 669 N TRP A 42 -11.681 12.416 -2.933 1.00 0.00 N ATOM 670 CA TRP A 42 -11.109 11.213 -3.526 1.00 0.00 C ATOM 671 C TRP A 42 -10.782 10.180 -2.453 1.00 0.00 C ATOM 672 O TRP A 42 -10.203 10.508 -1.417 1.00 0.00 O ATOM 673 CB TRP A 42 -9.847 11.560 -4.319 1.00 0.00 C ATOM 674 CG TRP A 42 -10.123 11.913 -5.749 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.342 12.163 -6.311 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.159 12.052 -6.798 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.194 12.450 -7.647 1.00 0.00 N ATOM 678 CE2 TRP A 42 -9.864 12.389 -7.970 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.769 11.928 -6.862 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.225 12.601 -9.189 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.135 12.138 -8.072 1.00 0.00 C ATOM 682 CH2 TRP A 42 -7.863 12.472 -9.222 1.00 0.00 C ATOM 0 H TRP A 42 -11.026 12.964 -2.375 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.848 10.785 -4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.342 12.397 -3.837 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.162 10.713 -4.287 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.284 12.139 -5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.951 12.672 -8.293 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.199 11.672 -5.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.784 12.858 -10.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.061 12.043 -8.132 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.339 12.631 -10.153 1.00 0.00 H new ATOM 693 N LYS A 43 -11.155 8.930 -2.708 1.00 0.00 N ATOM 694 CA LYS A 43 -10.900 7.848 -1.765 1.00 0.00 C ATOM 695 C LYS A 43 -9.579 7.152 -2.079 1.00 0.00 C ATOM 696 O LYS A 43 -9.430 6.526 -3.128 1.00 0.00 O ATOM 697 CB LYS A 43 -12.044 6.833 -1.801 1.00 0.00 C ATOM 698 CG LYS A 43 -13.422 7.467 -1.723 1.00 0.00 C ATOM 699 CD LYS A 43 -14.514 6.416 -1.614 1.00 0.00 C ATOM 700 CE LYS A 43 -14.393 5.617 -0.326 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.724 5.333 0.278 1.00 0.00 N ATOM 0 H LYS A 43 -11.635 8.642 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.835 8.278 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.973 6.250 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.926 6.136 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.469 8.133 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.592 8.080 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.490 6.899 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.458 5.741 -2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.878 4.678 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.781 6.169 0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.689 4.426 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.972 6.092 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.442 5.282 -0.473 1.00 0.00 H new ATOM 715 N VAL A 44 -8.623 7.266 -1.163 1.00 0.00 N ATOM 716 CA VAL A 44 -7.315 6.646 -1.341 1.00 0.00 C ATOM 717 C VAL A 44 -7.006 5.679 -0.203 1.00 0.00 C ATOM 718 O VAL A 44 -7.759 5.584 0.765 1.00 0.00 O ATOM 719 CB VAL A 44 -6.198 7.704 -1.420 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.098 8.271 -2.828 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.442 8.811 -0.406 1.00 0.00 C ATOM 0 H VAL A 44 -8.730 7.782 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.350 6.096 -2.281 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.249 7.225 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.304 9.017 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.873 7.467 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.045 8.736 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.644 9.550 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.399 9.290 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.458 8.387 0.598 1.00 0.00 H new ATOM 731 N GLU A 45 -5.891 4.965 -0.328 1.00 0.00 N ATOM 732 CA GLU A 45 -5.482 4.005 0.691 1.00 0.00 C ATOM 733 C GLU A 45 -4.082 4.323 1.207 1.00 0.00 C ATOM 734 O GLU A 45 -3.197 4.705 0.440 1.00 0.00 O ATOM 735 CB GLU A 45 -5.520 2.583 0.128 1.00 0.00 C ATOM 736 CG GLU A 45 -5.859 1.526 1.166 1.00 0.00 C ATOM 737 CD GLU A 45 -6.204 0.187 0.544 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.415 -0.300 -0.292 1.00 0.00 O ATOM 739 OE2 GLU A 45 -7.263 -0.374 0.895 1.00 0.00 O ATOM 0 H GLU A 45 -5.256 5.033 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.182 4.077 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.255 2.539 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.551 2.350 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.013 1.401 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.700 1.870 1.768 1.00 0.00 H new ATOM 746 N VAL A 46 -3.887 4.162 2.512 1.00 0.00 N ATOM 747 CA VAL A 46 -2.595 4.430 3.131 1.00 0.00 C ATOM 748 C VAL A 46 -1.873 3.134 3.481 1.00 0.00 C ATOM 749 O VAL A 46 -2.493 2.076 3.592 1.00 0.00 O ATOM 750 CB VAL A 46 -2.749 5.280 4.406 1.00 0.00 C ATOM 751 CG1 VAL A 46 -1.413 5.886 4.809 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.796 6.364 4.200 1.00 0.00 C ATOM 0 H VAL A 46 -4.608 3.847 3.161 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.004 4.985 2.402 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.085 4.632 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.542 6.483 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.695 5.089 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.044 6.521 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.892 6.955 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.492 7.012 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.755 5.903 3.964 1.00 0.00 H new ATOM 762 N LYS A 47 -0.559 3.223 3.655 1.00 0.00 N ATOM 763 CA LYS A 47 0.249 2.058 3.994 1.00 0.00 C ATOM 764 C LYS A 47 1.126 2.339 5.210 1.00 0.00 C ATOM 765 O LYS A 47 2.090 3.101 5.129 1.00 0.00 O ATOM 766 CB LYS A 47 1.123 1.653 2.805 1.00 0.00 C ATOM 767 CG LYS A 47 1.854 0.337 3.007 1.00 0.00 C ATOM 768 CD LYS A 47 1.997 -0.428 1.702 1.00 0.00 C ATOM 769 CE LYS A 47 0.788 -1.312 1.439 1.00 0.00 C ATOM 770 NZ LYS A 47 0.892 -2.020 0.133 1.00 0.00 N ATOM 0 H LYS A 47 -0.031 4.091 3.567 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.427 1.238 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.499 1.579 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.854 2.440 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.841 0.529 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.313 -0.273 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.121 0.275 0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.897 -1.042 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.691 -2.043 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.116 -0.704 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.049 -2.612 -0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.959 -1.323 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.741 -2.621 0.130 1.00 0.00 H new ATOM 784 N ILE A 48 0.786 1.720 6.336 1.00 0.00 N ATOM 785 CA ILE A 48 1.544 1.903 7.567 1.00 0.00 C ATOM 786 C ILE A 48 2.066 0.570 8.094 1.00 0.00 C ATOM 787 O ILE A 48 1.295 -0.358 8.342 1.00 0.00 O ATOM 788 CB ILE A 48 0.691 2.575 8.659 1.00 0.00 C ATOM 789 CG1 ILE A 48 -0.025 3.803 8.093 1.00 0.00 C ATOM 790 CG2 ILE A 48 1.560 2.962 9.846 1.00 0.00 C ATOM 791 CD1 ILE A 48 -1.422 3.511 7.592 1.00 0.00 C ATOM 0 H ILE A 48 -0.010 1.087 6.421 1.00 0.00 H new ATOM 0 HA ILE A 48 2.386 2.551 7.326 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.061 1.864 9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.078 4.571 8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.567 4.214 7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.943 3.436 10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.028 2.069 10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.332 3.659 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.869 4.427 7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.375 2.766 6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.030 3.129 8.412 1.00 0.00 H new ATOM 803 N THR A 49 3.381 0.482 8.266 1.00 0.00 N ATOM 804 CA THR A 49 4.007 -0.736 8.764 1.00 0.00 C ATOM 805 C THR A 49 4.316 -0.626 10.253 1.00 0.00 C ATOM 806 O THR A 49 5.184 0.145 10.662 1.00 0.00 O ATOM 807 CB THR A 49 5.309 -1.050 8.003 1.00 0.00 C ATOM 808 OG1 THR A 49 5.030 -1.239 6.612 1.00 0.00 O ATOM 809 CG2 THR A 49 5.977 -2.296 8.566 1.00 0.00 C ATOM 0 H THR A 49 4.033 1.240 8.068 1.00 0.00 H new ATOM 0 HA THR A 49 3.296 -1.546 8.602 1.00 0.00 H new ATOM 0 HB THR A 49 5.988 -0.206 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.863 -1.436 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.894 -2.498 8.013 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.215 -2.138 9.618 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.301 -3.146 8.471 1.00 0.00 H new ATOM 817 N VAL A 50 3.600 -1.402 11.060 1.00 0.00 N ATOM 818 CA VAL A 50 3.799 -1.393 12.504 1.00 0.00 C ATOM 819 C VAL A 50 4.111 -2.791 13.025 1.00 0.00 C ATOM 820 O VAL A 50 3.399 -3.749 12.726 1.00 0.00 O ATOM 821 CB VAL A 50 2.559 -0.848 13.238 1.00 0.00 C ATOM 822 CG1 VAL A 50 2.781 -0.859 14.743 1.00 0.00 C ATOM 823 CG2 VAL A 50 2.225 0.553 12.751 1.00 0.00 C ATOM 0 H VAL A 50 2.877 -2.045 10.738 1.00 0.00 H new ATOM 0 HA VAL A 50 4.647 -0.737 12.702 1.00 0.00 H new ATOM 0 HB VAL A 50 1.712 -1.497 13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.895 -0.471 15.244 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.968 -1.880 15.076 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.640 -0.234 14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.347 0.922 13.280 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.069 1.216 12.942 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.020 0.527 11.681 1.00 0.00 H new ATOM 833 N ASN A 51 5.180 -2.901 13.807 1.00 0.00 N ATOM 834 CA ASN A 51 5.587 -4.183 14.370 1.00 0.00 C ATOM 835 C ASN A 51 5.781 -5.223 13.270 1.00 0.00 C ATOM 836 O ASN A 51 5.453 -6.396 13.446 1.00 0.00 O ATOM 837 CB ASN A 51 4.544 -4.676 15.375 1.00 0.00 C ATOM 838 CG ASN A 51 4.370 -3.724 16.542 1.00 0.00 C ATOM 839 OD1 ASN A 51 5.329 -3.097 16.994 1.00 0.00 O ATOM 840 ND2 ASN A 51 3.143 -3.611 17.036 1.00 0.00 N ATOM 0 H ASN A 51 5.780 -2.118 14.065 1.00 0.00 H new ATOM 0 HA ASN A 51 6.538 -4.041 14.883 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.587 -4.804 14.868 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.840 -5.656 15.750 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.965 -2.985 17.822 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.378 -4.150 16.630 1.00 0.00 H new ATOM 847 N GLY A 52 6.316 -4.784 12.135 1.00 0.00 N ATOM 848 CA GLY A 52 6.545 -5.689 11.024 1.00 0.00 C ATOM 849 C GLY A 52 5.256 -6.121 10.354 1.00 0.00 C ATOM 850 O GLY A 52 5.260 -7.003 9.494 1.00 0.00 O ATOM 0 H GLY A 52 6.595 -3.818 11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.187 -5.203 10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.079 -6.570 11.381 1.00 0.00 H new ATOM 854 N LYS A 53 4.149 -5.501 10.748 1.00 0.00 N ATOM 855 CA LYS A 53 2.846 -5.826 10.180 1.00 0.00 C ATOM 856 C LYS A 53 2.327 -4.680 9.319 1.00 0.00 C ATOM 857 O LYS A 53 2.070 -3.583 9.815 1.00 0.00 O ATOM 858 CB LYS A 53 1.844 -6.135 11.295 1.00 0.00 C ATOM 859 CG LYS A 53 2.283 -7.264 12.212 1.00 0.00 C ATOM 860 CD LYS A 53 1.189 -7.639 13.197 1.00 0.00 C ATOM 861 CE LYS A 53 -0.028 -8.212 12.487 1.00 0.00 C ATOM 862 NZ LYS A 53 -0.770 -9.175 13.348 1.00 0.00 N ATOM 0 H LYS A 53 4.128 -4.770 11.459 1.00 0.00 H new ATOM 0 HA LYS A 53 2.962 -6.707 9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.686 -5.235 11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.884 -6.394 10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.551 -8.136 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.178 -6.964 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.574 -8.369 13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.896 -6.759 13.770 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.693 -7.400 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.288 -8.712 11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.592 -9.543 12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.143 -9.963 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.093 -8.692 14.210 1.00 0.00 H new ATOM 876 N THR A 54 2.172 -4.942 8.024 1.00 0.00 N ATOM 877 CA THR A 54 1.683 -3.932 7.094 1.00 0.00 C ATOM 878 C THR A 54 0.183 -3.715 7.257 1.00 0.00 C ATOM 879 O THR A 54 -0.598 -4.666 7.237 1.00 0.00 O ATOM 880 CB THR A 54 1.977 -4.325 5.633 1.00 0.00 C ATOM 881 OG1 THR A 54 2.616 -5.606 5.590 1.00 0.00 O ATOM 882 CG2 THR A 54 2.863 -3.287 4.962 1.00 0.00 C ATOM 0 H THR A 54 2.378 -5.845 7.596 1.00 0.00 H new ATOM 0 HA THR A 54 2.209 -3.006 7.327 1.00 0.00 H new ATOM 0 HB THR A 54 1.030 -4.374 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.798 -5.850 4.658 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.057 -3.586 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.361 -2.320 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.807 -3.211 5.502 1.00 0.00 H new ATOM 890 N TYR A 55 -0.213 -2.457 7.419 1.00 0.00 N ATOM 891 CA TYR A 55 -1.621 -2.115 7.588 1.00 0.00 C ATOM 892 C TYR A 55 -2.083 -1.155 6.496 1.00 0.00 C ATOM 893 O TYR A 55 -1.305 -0.337 6.004 1.00 0.00 O ATOM 894 CB TYR A 55 -1.853 -1.490 8.964 1.00 0.00 C ATOM 895 CG TYR A 55 -1.653 -2.457 10.110 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.670 -3.317 10.504 1.00 0.00 C ATOM 897 CD2 TYR A 55 -0.447 -2.508 10.798 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.492 -4.202 11.550 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.260 -3.390 11.845 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.285 -4.235 12.217 1.00 0.00 C ATOM 901 OH TYR A 55 -1.102 -5.114 13.260 1.00 0.00 O ATOM 0 H TYR A 55 0.420 -1.658 7.437 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.204 -3.033 7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.175 -0.646 9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.867 -1.093 9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.616 -3.294 9.984 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.357 -1.847 10.510 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.293 -4.864 11.844 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.684 -3.418 12.369 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.811 -5.790 13.246 1.00 0.00 H new ATOM 911 N GLU A 56 -3.354 -1.260 6.123 1.00 0.00 N ATOM 912 CA GLU A 56 -3.921 -0.402 5.090 1.00 0.00 C ATOM 913 C GLU A 56 -5.293 0.119 5.506 1.00 0.00 C ATOM 914 O GLU A 56 -6.074 -0.595 6.137 1.00 0.00 O ATOM 915 CB GLU A 56 -4.031 -1.163 3.767 1.00 0.00 C ATOM 916 CG GLU A 56 -2.693 -1.407 3.091 1.00 0.00 C ATOM 917 CD GLU A 56 -2.838 -1.799 1.634 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.951 -3.011 1.355 1.00 0.00 O ATOM 919 OE2 GLU A 56 -2.838 -0.895 0.772 1.00 0.00 O ATOM 0 H GLU A 56 -4.011 -1.931 6.521 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.254 0.450 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.517 -2.122 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.674 -0.603 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.085 -0.505 3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.159 -2.194 3.624 1.00 0.00 H new ATOM 926 N ARG A 57 -5.580 1.366 5.150 1.00 0.00 N ATOM 927 CA ARG A 57 -6.857 1.983 5.488 1.00 0.00 C ATOM 928 C ARG A 57 -7.281 2.979 4.413 1.00 0.00 C ATOM 929 O ARG A 57 -6.441 3.585 3.749 1.00 0.00 O ATOM 930 CB ARG A 57 -6.764 2.688 6.843 1.00 0.00 C ATOM 931 CG ARG A 57 -5.542 3.580 6.983 1.00 0.00 C ATOM 932 CD ARG A 57 -5.610 4.424 8.246 1.00 0.00 C ATOM 933 NE ARG A 57 -4.709 5.572 8.187 1.00 0.00 N ATOM 934 CZ ARG A 57 -4.545 6.430 9.187 1.00 0.00 C ATOM 935 NH1 ARG A 57 -5.218 6.271 10.318 1.00 0.00 N ATOM 936 NH2 ARG A 57 -3.706 7.450 9.057 1.00 0.00 N ATOM 0 H ARG A 57 -4.945 1.970 4.627 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.608 1.196 5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.661 3.289 6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.748 1.937 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.642 2.965 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.464 4.231 6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.632 4.773 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.355 3.807 9.108 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.176 5.723 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.864 5.488 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.090 6.932 11.085 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.186 7.575 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.581 8.109 9.826 1.00 0.00 H new ATOM 950 N GLN A 58 -8.590 3.142 4.247 1.00 0.00 N ATOM 951 CA GLN A 58 -9.125 4.063 3.252 1.00 0.00 C ATOM 952 C GLN A 58 -9.398 5.431 3.867 1.00 0.00 C ATOM 953 O GLN A 58 -9.980 5.533 4.946 1.00 0.00 O ATOM 954 CB GLN A 58 -10.410 3.499 2.643 1.00 0.00 C ATOM 955 CG GLN A 58 -10.167 2.417 1.604 1.00 0.00 C ATOM 956 CD GLN A 58 -11.315 2.280 0.624 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.176 1.412 0.776 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.335 3.137 -0.390 1.00 0.00 N ATOM 0 H GLN A 58 -9.299 2.648 4.789 1.00 0.00 H new ATOM 0 HA GLN A 58 -8.380 4.181 2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.032 3.092 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.972 4.312 2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.252 2.643 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.009 1.464 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.602 3.840 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.084 3.092 -1.081 1.00 0.00 H new ATOM 967 N GLY A 59 -8.972 6.483 3.174 1.00 0.00 N ATOM 968 CA GLY A 59 -9.179 7.831 3.669 1.00 0.00 C ATOM 969 C GLY A 59 -9.626 8.786 2.580 1.00 0.00 C ATOM 970 O GLY A 59 -9.189 8.681 1.433 1.00 0.00 O ATOM 0 H GLY A 59 -8.487 6.425 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.927 7.813 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.253 8.198 4.113 1.00 0.00 H new ATOM 974 N PHE A 60 -10.502 9.720 2.937 1.00 0.00 N ATOM 975 CA PHE A 60 -11.011 10.696 1.980 1.00 0.00 C ATOM 976 C PHE A 60 -10.178 11.974 2.012 1.00 0.00 C ATOM 977 O PHE A 60 -9.951 12.555 3.074 1.00 0.00 O ATOM 978 CB PHE A 60 -12.475 11.021 2.282 1.00 0.00 C ATOM 979 CG PHE A 60 -13.354 9.806 2.367 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.399 9.047 3.525 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.134 9.422 1.288 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.207 7.928 3.607 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.944 8.304 1.364 1.00 0.00 C ATOM 984 CZ PHE A 60 -14.979 7.556 2.524 1.00 0.00 C ATOM 0 H PHE A 60 -10.874 9.822 3.881 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.940 10.262 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.531 11.566 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.859 11.684 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.796 9.333 4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.109 10.002 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.234 7.346 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.549 8.016 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.609 6.681 2.584 1.00 0.00 H new ATOM 994 N VAL A 61 -9.724 12.407 0.840 1.00 0.00 N ATOM 995 CA VAL A 61 -8.916 13.616 0.732 1.00 0.00 C ATOM 996 C VAL A 61 -9.335 14.451 -0.473 1.00 0.00 C ATOM 997 O VAL A 61 -9.888 13.943 -1.450 1.00 0.00 O ATOM 998 CB VAL A 61 -7.418 13.281 0.614 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.861 12.844 1.961 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.193 12.207 -0.439 1.00 0.00 C ATOM 0 H VAL A 61 -9.902 11.938 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.082 14.190 1.644 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.886 14.180 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.801 12.611 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.987 13.649 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.395 11.959 2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.129 11.983 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.736 11.304 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.553 12.563 -1.404 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.067 15.763 -0.406 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.407 16.697 -1.483 1.00 0.00 C ATOM 1012 C PRO A 62 -8.549 16.486 -2.726 1.00 0.00 C ATOM 1013 O PRO A 62 -7.344 16.735 -2.709 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.125 18.069 -0.866 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.107 17.808 0.190 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.411 16.437 0.728 1.00 0.00 C ATOM 0 HA PRO A 62 -10.435 16.570 -1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.750 18.769 -1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.030 18.507 -0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.098 17.851 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.162 18.558 0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.504 15.916 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.063 16.483 1.600 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.177 16.026 -3.803 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.471 15.784 -5.054 1.00 0.00 C ATOM 1026 C ALA A 63 -7.846 17.068 -5.589 1.00 0.00 C ATOM 1027 O ALA A 63 -6.804 17.036 -6.243 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.415 15.185 -6.086 1.00 0.00 C ATOM 0 H ALA A 63 -10.174 15.813 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.668 15.074 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.874 15.010 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.810 14.240 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.238 15.875 -6.270 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.489 18.196 -5.307 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.995 19.491 -5.759 1.00 0.00 C ATOM 1036 C ALA A 64 -6.627 19.796 -5.157 1.00 0.00 C ATOM 1037 O ALA A 64 -5.909 20.673 -5.638 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.987 20.588 -5.403 1.00 0.00 C ATOM 0 H ALA A 64 -9.354 18.239 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.886 19.453 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.605 21.549 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.943 20.384 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.124 20.617 -4.322 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.273 19.069 -4.104 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.993 19.265 -3.435 1.00 0.00 C ATOM 1046 C TYR A 65 -3.968 18.238 -3.908 1.00 0.00 C ATOM 1047 O TYR A 65 -2.773 18.368 -3.641 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.165 19.168 -1.918 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.567 20.474 -1.270 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.525 21.295 -1.852 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.988 20.887 -0.077 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.895 22.489 -1.264 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.352 22.079 0.519 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.306 22.877 -0.078 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.671 24.065 0.512 1.00 0.00 O ATOM 0 H TYR A 65 -6.855 18.338 -3.695 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.628 20.260 -3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.919 18.413 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.230 18.825 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.988 20.994 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.240 20.265 0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.641 23.115 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.892 22.385 1.447 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.163 24.188 1.341 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.446 17.217 -4.613 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.573 16.168 -5.126 1.00 0.00 C ATOM 1067 C VAL A 66 -3.739 16.003 -6.632 1.00 0.00 C ATOM 1068 O VAL A 66 -4.450 16.773 -7.278 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.854 14.819 -4.438 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.761 14.960 -2.926 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.218 14.285 -4.849 1.00 0.00 C ATOM 0 H VAL A 66 -5.432 17.094 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.549 16.472 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.097 14.103 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.963 13.997 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.760 15.294 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.494 15.691 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.400 13.331 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.990 14.998 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.243 14.143 -5.929 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.079 14.992 -7.187 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.153 14.722 -8.618 1.00 0.00 C ATOM 1083 C LYS A 67 -2.693 13.302 -8.929 1.00 0.00 C ATOM 1084 O LYS A 67 -2.120 12.623 -8.076 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.299 15.728 -9.393 1.00 0.00 C ATOM 1086 CG LYS A 67 -0.815 15.634 -9.080 1.00 0.00 C ATOM 1087 CD LYS A 67 0.032 15.846 -10.323 1.00 0.00 C ATOM 1088 CE LYS A 67 -0.200 17.222 -10.928 1.00 0.00 C ATOM 1089 NZ LYS A 67 -1.234 17.191 -12.000 1.00 0.00 N ATOM 0 H LYS A 67 -2.486 14.345 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.193 14.823 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.447 15.571 -10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.646 16.736 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.553 16.379 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.594 14.657 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.086 15.732 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.204 15.079 -11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.509 17.915 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.736 17.601 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.010 17.908 -12.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.247 16.250 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.167 17.393 -11.588 1.00 0.00 H new ATOM 1103 N LYS A 68 -2.945 12.858 -10.156 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.554 11.519 -10.581 1.00 0.00 C ATOM 1105 C LYS A 68 -1.041 11.423 -10.752 1.00 0.00 C ATOM 1106 O LYS A 68 -0.422 12.278 -11.387 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.251 11.155 -11.894 1.00 0.00 C ATOM 1108 CG LYS A 68 -4.556 10.403 -11.701 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.525 10.666 -12.842 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.668 9.662 -12.844 1.00 0.00 C ATOM 1111 NZ LYS A 68 -7.599 9.880 -11.703 1.00 0.00 N ATOM 0 H LYS A 68 -3.419 13.406 -10.874 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.860 10.815 -9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.447 12.068 -12.457 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.577 10.547 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.354 9.334 -11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.013 10.702 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.926 11.676 -12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.993 10.615 -13.792 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.218 9.740 -13.782 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.264 8.651 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.514 9.092 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.359 10.772 -11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.576 9.929 -12.057 1.00 0.00 H new