USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=18 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc=-0.000499 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 134:sc= -0.136 (180deg=-0.686) USER MOD Set 2.2: A 58 GLN : amide:sc=-0.00754 X(o=-0.14,f=-0.12) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 74:sc= 0.565 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc=-0.00309 (180deg=-0.104) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -139:sc= -1.56 USER MOD Single : A 25 MET CE :methyl -112:sc= -4.19! (180deg=-13.1!) USER MOD Single : A 26 LYS NZ :NH3+ -140:sc= -0.361 (180deg=-1.92!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0694 USER MOD Single : A 35 ASN : amide:sc= -0.077 X(o=-0.077,f=0) USER MOD Single : A 36 SER OG : rot 71:sc= 0.424 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.367 K(o=-0.37,f=-0.95) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0054 (180deg=-0.114) USER MOD Single : A 51 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.4!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= -0.0961 (180deg=-0.715) USER MOD Single : A 68 LYS NZ :NH3+ -138:sc= -0.296 (180deg=-0.722) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 12.439 -8.816 -7.105 1.00 0.00 N ATOM 89 CA GLU A 7 13.628 -8.690 -7.939 1.00 0.00 C ATOM 90 C GLU A 7 13.853 -7.237 -8.349 1.00 0.00 C ATOM 91 O GLU A 7 13.368 -6.792 -9.390 1.00 0.00 O ATOM 92 CB GLU A 7 13.499 -9.569 -9.185 1.00 0.00 C ATOM 93 CG GLU A 7 14.501 -10.710 -9.231 1.00 0.00 C ATOM 94 CD GLU A 7 13.870 -12.023 -9.653 1.00 0.00 C ATOM 95 OE1 GLU A 7 12.822 -12.388 -9.080 1.00 0.00 O ATOM 96 OE2 GLU A 7 14.424 -12.685 -10.555 1.00 0.00 O ATOM 0 HA GLU A 7 14.487 -9.022 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.490 -9.980 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.627 -8.948 -10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.303 -10.457 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.956 -10.829 -8.248 1.00 0.00 H new ATOM 103 N LEU A 8 14.591 -6.504 -7.523 1.00 0.00 N ATOM 104 CA LEU A 8 14.880 -5.100 -7.798 1.00 0.00 C ATOM 105 C LEU A 8 16.230 -4.949 -8.493 1.00 0.00 C ATOM 106 O LEU A 8 17.162 -5.711 -8.236 1.00 0.00 O ATOM 107 CB LEU A 8 14.870 -4.293 -6.498 1.00 0.00 C ATOM 108 CG LEU A 8 13.505 -3.787 -6.033 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.045 -2.622 -6.896 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.480 -4.912 -6.064 1.00 0.00 C ATOM 0 H LEU A 8 15.000 -6.858 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 8 14.105 -4.718 -8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.295 -4.911 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.531 -3.435 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 8 13.600 -3.436 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.071 -2.275 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.767 -1.808 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.967 -2.946 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.514 -4.533 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.388 -5.293 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.803 -5.717 -5.403 1.00 0.00 H new ATOM 122 N VAL A 9 16.327 -3.959 -9.375 1.00 0.00 N ATOM 123 CA VAL A 9 17.563 -3.705 -10.105 1.00 0.00 C ATOM 124 C VAL A 9 18.132 -2.333 -9.763 1.00 0.00 C ATOM 125 O VAL A 9 17.388 -1.395 -9.473 1.00 0.00 O ATOM 126 CB VAL A 9 17.344 -3.792 -11.627 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.716 -5.126 -12.001 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.481 -2.635 -12.108 1.00 0.00 C ATOM 0 H VAL A 9 15.565 -3.320 -9.601 1.00 0.00 H new ATOM 0 HA VAL A 9 18.273 -4.475 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 9 18.314 -3.723 -12.120 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.569 -5.169 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.375 -5.938 -11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.754 -5.229 -11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.337 -2.712 -13.186 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.513 -2.671 -11.609 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.975 -1.692 -11.875 1.00 0.00 H new ATOM 138 N LEU A 10 19.456 -2.222 -9.798 1.00 0.00 N ATOM 139 CA LEU A 10 20.126 -0.963 -9.491 1.00 0.00 C ATOM 140 C LEU A 10 20.568 -0.256 -10.769 1.00 0.00 C ATOM 141 O LEU A 10 21.061 -0.890 -11.702 1.00 0.00 O ATOM 142 CB LEU A 10 21.336 -1.213 -8.589 1.00 0.00 C ATOM 143 CG LEU A 10 22.149 0.022 -8.199 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.510 0.730 -7.015 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.586 -0.365 -7.879 1.00 0.00 C ATOM 0 H LEU A 10 20.086 -2.988 -10.036 1.00 0.00 H new ATOM 0 HA LEU A 10 19.417 -0.321 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.990 -1.698 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.000 -1.916 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 10 22.158 0.709 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.103 1.606 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.499 1.041 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.469 0.051 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.150 0.526 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.596 -1.072 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.042 -0.827 -8.755 1.00 0.00 H new ATOM 157 N ALA A 11 20.389 1.060 -10.803 1.00 0.00 N ATOM 158 CA ALA A 11 20.773 1.854 -11.964 1.00 0.00 C ATOM 159 C ALA A 11 22.211 2.346 -11.841 1.00 0.00 C ATOM 160 O ALA A 11 22.470 3.392 -11.244 1.00 0.00 O ATOM 161 CB ALA A 11 19.823 3.029 -12.137 1.00 0.00 C ATOM 0 H ALA A 11 19.980 1.599 -10.040 1.00 0.00 H new ATOM 0 HA ALA A 11 20.709 1.217 -12.846 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.122 3.613 -13.007 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.808 2.658 -12.280 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.858 3.659 -11.248 1.00 0.00 H new ATOM 167 N LEU A 12 23.142 1.587 -12.407 1.00 0.00 N ATOM 168 CA LEU A 12 24.555 1.947 -12.360 1.00 0.00 C ATOM 169 C LEU A 12 24.787 3.325 -12.971 1.00 0.00 C ATOM 170 O LEU A 12 25.500 4.154 -12.405 1.00 0.00 O ATOM 171 CB LEU A 12 25.392 0.902 -13.100 1.00 0.00 C ATOM 172 CG LEU A 12 25.137 -0.556 -12.717 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.852 -1.494 -13.678 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.580 -0.817 -11.285 1.00 0.00 C ATOM 0 H LEU A 12 22.944 0.718 -12.904 1.00 0.00 H new ATOM 0 HA LEU A 12 24.862 1.977 -11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.212 1.013 -14.169 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.446 1.123 -12.929 1.00 0.00 H new ATOM 0 HG LEU A 12 24.066 -0.747 -12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.659 -2.527 -13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.486 -1.326 -14.691 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.924 -1.302 -13.643 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.391 -1.860 -11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.645 -0.608 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.021 -0.171 -10.608 1.00 0.00 H new ATOM 186 N TYR A 13 24.177 3.565 -14.127 1.00 0.00 N ATOM 187 CA TYR A 13 24.317 4.843 -14.814 1.00 0.00 C ATOM 188 C TYR A 13 22.968 5.544 -14.942 1.00 0.00 C ATOM 189 O TYR A 13 21.957 5.065 -14.429 1.00 0.00 O ATOM 190 CB TYR A 13 24.930 4.636 -16.200 1.00 0.00 C ATOM 191 CG TYR A 13 26.294 3.983 -16.168 1.00 0.00 C ATOM 192 CD1 TYR A 13 26.423 2.605 -16.043 1.00 0.00 C ATOM 193 CD2 TYR A 13 27.453 4.743 -16.261 1.00 0.00 C ATOM 194 CE1 TYR A 13 27.666 2.004 -16.013 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.700 4.151 -16.233 1.00 0.00 C ATOM 196 CZ TYR A 13 28.802 2.781 -16.108 1.00 0.00 C ATOM 197 OH TYR A 13 30.043 2.187 -16.078 1.00 0.00 O ATOM 0 H TYR A 13 23.581 2.891 -14.607 1.00 0.00 H new ATOM 0 HA TYR A 13 24.979 5.474 -14.221 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.256 4.022 -16.798 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.010 5.601 -16.700 1.00 0.00 H new ATOM 0 HD1 TYR A 13 25.536 1.994 -15.968 1.00 0.00 H new ATOM 0 HD2 TYR A 13 27.377 5.816 -16.357 1.00 0.00 H new ATOM 0 HE1 TYR A 13 27.748 0.932 -15.916 1.00 0.00 H new ATOM 0 HE2 TYR A 13 29.591 4.757 -16.309 1.00 0.00 H new ATOM 0 HH TYR A 13 30.737 2.875 -16.157 1.00 0.00 H new ATOM 207 N ASP A 14 22.962 6.680 -15.630 1.00 0.00 N ATOM 208 CA ASP A 14 21.738 7.447 -15.828 1.00 0.00 C ATOM 209 C ASP A 14 21.158 7.197 -17.216 1.00 0.00 C ATOM 210 O ASP A 14 21.837 6.670 -18.098 1.00 0.00 O ATOM 211 CB ASP A 14 22.010 8.940 -15.637 1.00 0.00 C ATOM 212 CG ASP A 14 20.739 9.766 -15.643 1.00 0.00 C ATOM 213 OD1 ASP A 14 20.320 10.202 -16.736 1.00 0.00 O ATOM 214 OD2 ASP A 14 20.162 9.975 -14.556 1.00 0.00 O ATOM 0 H ASP A 14 23.791 7.090 -16.060 1.00 0.00 H new ATOM 0 HA ASP A 14 21.010 7.120 -15.086 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.535 9.093 -14.694 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.671 9.290 -16.430 1.00 0.00 H new ATOM 219 N TYR A 15 19.899 7.576 -17.403 1.00 0.00 N ATOM 220 CA TYR A 15 19.226 7.389 -18.683 1.00 0.00 C ATOM 221 C TYR A 15 18.283 8.552 -18.978 1.00 0.00 C ATOM 222 O TYR A 15 18.133 9.464 -18.165 1.00 0.00 O ATOM 223 CB TYR A 15 18.448 6.073 -18.687 1.00 0.00 C ATOM 224 CG TYR A 15 18.346 5.433 -20.053 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.485 5.157 -20.800 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.110 5.103 -20.597 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.396 4.574 -22.048 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.013 4.518 -21.845 1.00 0.00 C ATOM 229 CZ TYR A 15 18.158 4.256 -22.567 1.00 0.00 C ATOM 230 OH TYR A 15 18.066 3.673 -23.810 1.00 0.00 O ATOM 0 H TYR A 15 19.323 8.015 -16.684 1.00 0.00 H new ATOM 0 HA TYR A 15 19.987 7.355 -19.463 1.00 0.00 H new ATOM 0 HB2 TYR A 15 18.929 5.374 -18.003 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.444 6.253 -18.304 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.456 5.403 -20.397 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.211 5.307 -20.035 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.291 4.368 -22.616 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.045 4.267 -22.253 1.00 0.00 H new ATOM 0 HH TYR A 15 18.355 2.738 -23.755 1.00 0.00 H new ATOM 240 N GLN A 16 17.650 8.510 -20.146 1.00 0.00 N ATOM 241 CA GLN A 16 16.721 9.559 -20.548 1.00 0.00 C ATOM 242 C GLN A 16 15.713 9.034 -21.565 1.00 0.00 C ATOM 243 O GLN A 16 15.966 9.051 -22.769 1.00 0.00 O ATOM 244 CB GLN A 16 17.485 10.747 -21.136 1.00 0.00 C ATOM 245 CG GLN A 16 17.412 12.001 -20.280 1.00 0.00 C ATOM 246 CD GLN A 16 16.440 13.027 -20.827 1.00 0.00 C ATOM 247 OE1 GLN A 16 16.600 13.516 -21.946 1.00 0.00 O ATOM 248 NE2 GLN A 16 15.423 13.359 -20.040 1.00 0.00 N ATOM 0 H GLN A 16 17.763 7.762 -20.830 1.00 0.00 H new ATOM 0 HA GLN A 16 16.177 9.887 -19.662 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.530 10.467 -21.267 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.088 10.970 -22.126 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.114 11.728 -19.268 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.404 12.447 -20.211 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.329 12.929 -19.120 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.736 14.044 -20.356 1.00 0.00 H new ATOM 257 N GLU A 17 14.571 8.566 -21.072 1.00 0.00 N ATOM 258 CA GLU A 17 13.526 8.034 -21.938 1.00 0.00 C ATOM 259 C GLU A 17 13.205 9.011 -23.066 1.00 0.00 C ATOM 260 O GLU A 17 13.242 10.228 -22.879 1.00 0.00 O ATOM 261 CB GLU A 17 12.262 7.740 -21.129 1.00 0.00 C ATOM 262 CG GLU A 17 11.730 8.945 -20.370 1.00 0.00 C ATOM 263 CD GLU A 17 10.278 8.784 -19.963 1.00 0.00 C ATOM 264 OE1 GLU A 17 9.946 7.750 -19.346 1.00 0.00 O ATOM 265 OE2 GLU A 17 9.475 9.692 -20.261 1.00 0.00 O ATOM 0 H GLU A 17 14.346 8.545 -20.077 1.00 0.00 H new ATOM 0 HA GLU A 17 13.892 7.106 -22.377 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.487 7.374 -21.802 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.473 6.939 -20.420 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.337 9.106 -19.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.833 9.835 -20.991 1.00 0.00 H new ATOM 272 N LYS A 18 12.891 8.470 -24.238 1.00 0.00 N ATOM 273 CA LYS A 18 12.562 9.291 -25.397 1.00 0.00 C ATOM 274 C LYS A 18 11.102 9.107 -25.798 1.00 0.00 C ATOM 275 O LYS A 18 10.482 10.014 -26.353 1.00 0.00 O ATOM 276 CB LYS A 18 13.474 8.937 -26.574 1.00 0.00 C ATOM 277 CG LYS A 18 14.940 8.821 -26.194 1.00 0.00 C ATOM 278 CD LYS A 18 15.316 7.389 -25.852 1.00 0.00 C ATOM 279 CE LYS A 18 15.702 6.602 -27.095 1.00 0.00 C ATOM 280 NZ LYS A 18 17.042 7.000 -27.610 1.00 0.00 N ATOM 0 H LYS A 18 12.857 7.465 -24.410 1.00 0.00 H new ATOM 0 HA LYS A 18 12.717 10.335 -25.126 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.144 7.993 -27.007 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.367 9.698 -27.347 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.559 9.174 -27.019 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.148 9.466 -25.341 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.147 7.388 -25.147 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.477 6.900 -25.356 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.703 5.537 -26.864 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.953 6.759 -27.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.387 6.278 -28.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.968 7.914 -28.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.708 7.086 -26.816 1.00 0.00 H new ATOM 294 N SER A 19 10.559 7.929 -25.512 1.00 0.00 N ATOM 295 CA SER A 19 9.172 7.625 -25.845 1.00 0.00 C ATOM 296 C SER A 19 8.352 7.377 -24.583 1.00 0.00 C ATOM 297 O SER A 19 8.886 7.090 -23.511 1.00 0.00 O ATOM 298 CB SER A 19 9.101 6.403 -26.762 1.00 0.00 C ATOM 299 OG SER A 19 9.122 6.786 -28.126 1.00 0.00 O ATOM 0 H SER A 19 11.058 7.169 -25.050 1.00 0.00 H new ATOM 0 HA SER A 19 8.753 8.486 -26.366 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.941 5.740 -26.555 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.191 5.840 -26.553 1.00 0.00 H new ATOM 0 HG SER A 19 9.077 5.987 -28.691 1.00 0.00 H new ATOM 305 N PRO A 20 7.021 7.489 -24.711 1.00 0.00 N ATOM 306 CA PRO A 20 6.098 7.280 -23.592 1.00 0.00 C ATOM 307 C PRO A 20 6.032 5.819 -23.160 1.00 0.00 C ATOM 308 O PRO A 20 5.492 5.499 -22.101 1.00 0.00 O ATOM 309 CB PRO A 20 4.749 7.732 -24.156 1.00 0.00 C ATOM 310 CG PRO A 20 4.875 7.552 -25.629 1.00 0.00 C ATOM 311 CD PRO A 20 6.316 7.827 -25.958 1.00 0.00 C ATOM 0 HA PRO A 20 6.408 7.826 -22.701 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.931 7.135 -23.753 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.541 8.771 -23.900 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.593 6.541 -25.924 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.215 8.236 -26.164 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.661 7.217 -26.793 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.472 8.869 -26.238 1.00 0.00 H new ATOM 319 N ARG A 21 6.584 4.937 -23.986 1.00 0.00 N ATOM 320 CA ARG A 21 6.587 3.509 -23.689 1.00 0.00 C ATOM 321 C ARG A 21 7.935 3.074 -23.122 1.00 0.00 C ATOM 322 O ARG A 21 8.299 1.901 -23.193 1.00 0.00 O ATOM 323 CB ARG A 21 6.268 2.704 -24.950 1.00 0.00 C ATOM 324 CG ARG A 21 7.291 2.881 -26.060 1.00 0.00 C ATOM 325 CD ARG A 21 6.823 2.239 -27.357 1.00 0.00 C ATOM 326 NE ARG A 21 7.618 2.675 -28.502 1.00 0.00 N ATOM 327 CZ ARG A 21 7.386 2.283 -29.750 1.00 0.00 C ATOM 328 NH1 ARG A 21 6.388 1.451 -30.012 1.00 0.00 N ATOM 329 NH2 ARG A 21 8.154 2.723 -30.738 1.00 0.00 N ATOM 0 H ARG A 21 7.035 5.186 -24.866 1.00 0.00 H new ATOM 0 HA ARG A 21 5.819 3.318 -22.940 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.205 1.647 -24.690 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.287 3.000 -25.321 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.472 3.943 -26.223 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.240 2.439 -25.756 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.882 1.154 -27.267 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.776 2.488 -27.527 1.00 0.00 H new ATOM 0 HE ARG A 21 8.394 3.316 -28.334 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.796 1.110 -29.255 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.212 1.152 -30.971 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.923 3.363 -30.540 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.975 2.422 -31.696 1.00 0.00 H new ATOM 343 N GLU A 22 8.670 4.029 -22.560 1.00 0.00 N ATOM 344 CA GLU A 22 9.978 3.743 -21.982 1.00 0.00 C ATOM 345 C GLU A 22 10.144 4.446 -20.637 1.00 0.00 C ATOM 346 O GLU A 22 9.352 5.317 -20.278 1.00 0.00 O ATOM 347 CB GLU A 22 11.089 4.180 -22.938 1.00 0.00 C ATOM 348 CG GLU A 22 12.411 3.470 -22.701 1.00 0.00 C ATOM 349 CD GLU A 22 13.151 3.168 -23.989 1.00 0.00 C ATOM 350 OE1 GLU A 22 13.828 4.078 -24.511 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.053 2.022 -24.475 1.00 0.00 O ATOM 0 H GLU A 22 8.383 5.005 -22.493 1.00 0.00 H new ATOM 0 HA GLU A 22 10.049 2.667 -21.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.767 3.997 -23.963 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.241 5.255 -22.838 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.041 4.088 -22.061 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.228 2.539 -22.165 1.00 0.00 H new ATOM 358 N VAL A 23 11.179 4.060 -19.898 1.00 0.00 N ATOM 359 CA VAL A 23 11.450 4.652 -18.594 1.00 0.00 C ATOM 360 C VAL A 23 12.877 5.184 -18.517 1.00 0.00 C ATOM 361 O VAL A 23 13.634 5.103 -19.484 1.00 0.00 O ATOM 362 CB VAL A 23 11.231 3.634 -17.459 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.746 3.418 -17.214 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.924 2.319 -17.783 1.00 0.00 C ATOM 0 H VAL A 23 11.844 3.340 -20.180 1.00 0.00 H new ATOM 0 HA VAL A 23 10.750 5.479 -18.470 1.00 0.00 H new ATOM 0 HB VAL A 23 11.670 4.034 -16.545 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.611 2.696 -16.409 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.282 4.364 -16.934 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.279 3.039 -18.123 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.759 1.611 -16.971 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.516 1.911 -18.708 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.994 2.491 -17.903 1.00 0.00 H new ATOM 374 N THR A 24 13.238 5.727 -17.359 1.00 0.00 N ATOM 375 CA THR A 24 14.574 6.273 -17.155 1.00 0.00 C ATOM 376 C THR A 24 15.086 5.966 -15.752 1.00 0.00 C ATOM 377 O THR A 24 14.331 5.514 -14.892 1.00 0.00 O ATOM 378 CB THR A 24 14.598 7.798 -17.376 1.00 0.00 C ATOM 379 OG1 THR A 24 15.948 8.250 -17.523 1.00 0.00 O ATOM 380 CG2 THR A 24 13.939 8.523 -16.213 1.00 0.00 C ATOM 0 H THR A 24 12.624 5.800 -16.548 1.00 0.00 H new ATOM 0 HA THR A 24 15.225 5.797 -17.888 1.00 0.00 H new ATOM 0 HB THR A 24 14.040 8.020 -18.285 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.065 9.094 -17.040 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.968 9.598 -16.391 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.903 8.198 -16.122 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.474 8.294 -15.291 1.00 0.00 H new ATOM 388 N MET A 25 16.372 6.215 -15.529 1.00 0.00 N ATOM 389 CA MET A 25 16.983 5.967 -14.228 1.00 0.00 C ATOM 390 C MET A 25 18.192 6.872 -14.014 1.00 0.00 C ATOM 391 O MET A 25 18.613 7.588 -14.922 1.00 0.00 O ATOM 392 CB MET A 25 17.402 4.500 -14.110 1.00 0.00 C ATOM 393 CG MET A 25 18.475 4.092 -15.106 1.00 0.00 C ATOM 394 SD MET A 25 17.795 3.274 -16.562 1.00 0.00 S ATOM 395 CE MET A 25 19.290 2.659 -17.333 1.00 0.00 C ATOM 0 H MET A 25 17.011 6.588 -16.231 1.00 0.00 H new ATOM 0 HA MET A 25 16.244 6.190 -13.458 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.767 4.315 -13.100 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.526 3.868 -14.253 1.00 0.00 H new ATOM 0 HG2 MET A 25 19.032 4.976 -15.417 1.00 0.00 H new ATOM 0 HG3 MET A 25 19.184 3.424 -14.617 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.464 3.193 -18.267 1.00 0.00 H new ATOM 0 HE2 MET A 25 20.136 2.815 -16.663 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.182 1.594 -17.539 1.00 0.00 H new ATOM 405 N LYS A 26 18.745 6.836 -12.806 1.00 0.00 N ATOM 406 CA LYS A 26 19.907 7.652 -12.472 1.00 0.00 C ATOM 407 C LYS A 26 20.948 6.833 -11.717 1.00 0.00 C ATOM 408 O LYS A 26 20.629 5.809 -11.112 1.00 0.00 O ATOM 409 CB LYS A 26 19.483 8.858 -11.631 1.00 0.00 C ATOM 410 CG LYS A 26 18.224 9.541 -12.137 1.00 0.00 C ATOM 411 CD LYS A 26 17.980 10.861 -11.424 1.00 0.00 C ATOM 412 CE LYS A 26 18.835 11.975 -12.007 1.00 0.00 C ATOM 413 NZ LYS A 26 20.151 12.083 -11.318 1.00 0.00 N ATOM 0 H LYS A 26 18.407 6.251 -12.042 1.00 0.00 H new ATOM 0 HA LYS A 26 20.353 8.004 -13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.322 8.535 -10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.297 9.582 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.310 9.716 -13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.368 8.883 -11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.927 11.130 -11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.201 10.749 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.995 11.792 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.303 12.923 -11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.397 13.086 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.094 11.624 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.882 11.615 -11.891 1.00 0.00 H new ATOM 427 N LYS A 27 22.195 7.291 -11.754 1.00 0.00 N ATOM 428 CA LYS A 27 23.284 6.603 -11.071 1.00 0.00 C ATOM 429 C LYS A 27 22.981 6.446 -9.584 1.00 0.00 C ATOM 430 O LYS A 27 23.161 7.379 -8.803 1.00 0.00 O ATOM 431 CB LYS A 27 24.596 7.369 -11.258 1.00 0.00 C ATOM 432 CG LYS A 27 24.480 8.854 -10.958 1.00 0.00 C ATOM 433 CD LYS A 27 24.549 9.685 -12.228 1.00 0.00 C ATOM 434 CE LYS A 27 25.969 10.146 -12.517 1.00 0.00 C ATOM 435 NZ LYS A 27 26.356 11.311 -11.674 1.00 0.00 N ATOM 0 H LYS A 27 22.476 8.137 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 27 23.385 5.610 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.357 6.934 -10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.940 7.240 -12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.539 9.050 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.281 9.153 -10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.178 9.098 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 27 23.896 10.553 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.661 9.323 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.057 10.414 -13.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.330 11.595 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.711 12.105 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.297 11.048 -10.670 1.00 0.00 H new ATOM 449 N GLY A 28 22.522 5.259 -9.200 1.00 0.00 N ATOM 450 CA GLY A 28 22.204 5.002 -7.808 1.00 0.00 C ATOM 451 C GLY A 28 20.715 4.841 -7.574 1.00 0.00 C ATOM 452 O GLY A 28 20.248 4.906 -6.437 1.00 0.00 O ATOM 0 H GLY A 28 22.365 4.471 -9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.720 4.099 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.578 5.822 -7.195 1.00 0.00 H new ATOM 456 N ASP A 29 19.968 4.632 -8.652 1.00 0.00 N ATOM 457 CA ASP A 29 18.522 4.462 -8.559 1.00 0.00 C ATOM 458 C ASP A 29 18.153 2.984 -8.468 1.00 0.00 C ATOM 459 O ASP A 29 19.001 2.110 -8.652 1.00 0.00 O ATOM 460 CB ASP A 29 17.834 5.098 -9.768 1.00 0.00 C ATOM 461 CG ASP A 29 17.529 6.567 -9.553 1.00 0.00 C ATOM 462 OD1 ASP A 29 18.286 7.229 -8.812 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.534 7.056 -10.127 1.00 0.00 O ATOM 0 H ASP A 29 20.339 4.576 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 29 18.180 4.960 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.471 4.987 -10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.907 4.564 -9.978 1.00 0.00 H new ATOM 468 N ILE A 30 16.885 2.713 -8.181 1.00 0.00 N ATOM 469 CA ILE A 30 16.405 1.342 -8.065 1.00 0.00 C ATOM 470 C ILE A 30 15.018 1.190 -8.682 1.00 0.00 C ATOM 471 O ILE A 30 14.124 2.000 -8.434 1.00 0.00 O ATOM 472 CB ILE A 30 16.352 0.886 -6.595 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.701 1.128 -5.915 1.00 0.00 C ATOM 474 CG2 ILE A 30 15.966 -0.583 -6.509 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.705 0.786 -4.441 1.00 0.00 C ATOM 0 H ILE A 30 16.171 3.425 -8.024 1.00 0.00 H new ATOM 0 HA ILE A 30 17.112 0.714 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 30 15.593 1.472 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.464 0.535 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.978 2.175 -6.037 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.933 -0.890 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.985 -0.728 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.703 -1.185 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.693 0.982 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.965 1.397 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.460 -0.268 -4.311 1.00 0.00 H new ATOM 487 N LEU A 31 14.846 0.147 -9.487 1.00 0.00 N ATOM 488 CA LEU A 31 13.567 -0.113 -10.139 1.00 0.00 C ATOM 489 C LEU A 31 13.183 -1.584 -10.018 1.00 0.00 C ATOM 490 O LEU A 31 14.035 -2.469 -10.110 1.00 0.00 O ATOM 491 CB LEU A 31 13.633 0.290 -11.613 1.00 0.00 C ATOM 492 CG LEU A 31 14.432 1.555 -11.928 1.00 0.00 C ATOM 493 CD1 LEU A 31 14.484 1.793 -13.429 1.00 0.00 C ATOM 494 CD2 LEU A 31 13.830 2.758 -11.216 1.00 0.00 C ATOM 0 H LEU A 31 15.576 -0.532 -9.704 1.00 0.00 H new ATOM 0 HA LEU A 31 12.804 0.484 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.064 -0.538 -12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.615 0.427 -11.977 1.00 0.00 H new ATOM 0 HG LEU A 31 15.451 1.417 -11.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.057 2.697 -13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.962 0.943 -13.916 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.471 1.910 -13.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.412 3.649 -11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.801 2.899 -11.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.846 2.589 -10.139 1.00 0.00 H new ATOM 506 N THR A 32 11.895 -1.840 -9.814 1.00 0.00 N ATOM 507 CA THR A 32 11.397 -3.203 -9.682 1.00 0.00 C ATOM 508 C THR A 32 11.349 -3.904 -11.035 1.00 0.00 C ATOM 509 O THR A 32 10.953 -3.311 -12.039 1.00 0.00 O ATOM 510 CB THR A 32 9.992 -3.230 -9.052 1.00 0.00 C ATOM 511 OG1 THR A 32 9.674 -1.945 -8.508 1.00 0.00 O ATOM 512 CG2 THR A 32 9.910 -4.284 -7.958 1.00 0.00 C ATOM 0 H THR A 32 11.177 -1.120 -9.737 1.00 0.00 H new ATOM 0 HA THR A 32 12.090 -3.730 -9.027 1.00 0.00 H new ATOM 0 HB THR A 32 9.273 -3.481 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.778 -1.970 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.909 -4.285 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.124 -5.265 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.639 -4.058 -7.180 1.00 0.00 H new ATOM 520 N LEU A 33 11.753 -5.169 -11.055 1.00 0.00 N ATOM 521 CA LEU A 33 11.755 -5.952 -12.286 1.00 0.00 C ATOM 522 C LEU A 33 10.386 -6.576 -12.537 1.00 0.00 C ATOM 523 O LEU A 33 9.777 -7.149 -11.633 1.00 0.00 O ATOM 524 CB LEU A 33 12.821 -7.047 -12.216 1.00 0.00 C ATOM 525 CG LEU A 33 13.024 -7.868 -13.490 1.00 0.00 C ATOM 526 CD1 LEU A 33 11.959 -8.948 -13.604 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.006 -6.966 -14.715 1.00 0.00 C ATOM 0 H LEU A 33 12.083 -5.675 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 33 11.986 -5.281 -13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.772 -6.584 -11.950 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.561 -7.728 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 33 13.999 -8.352 -13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.119 -9.522 -14.517 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.021 -9.612 -12.742 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.973 -8.485 -13.635 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.152 -7.568 -15.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.046 -6.452 -14.775 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.807 -6.231 -14.637 1.00 0.00 H new ATOM 539 N LEU A 34 9.907 -6.462 -13.771 1.00 0.00 N ATOM 540 CA LEU A 34 8.610 -7.016 -14.143 1.00 0.00 C ATOM 541 C LEU A 34 8.766 -8.109 -15.195 1.00 0.00 C ATOM 542 O LEU A 34 8.029 -9.094 -15.196 1.00 0.00 O ATOM 543 CB LEU A 34 7.693 -5.912 -14.671 1.00 0.00 C ATOM 544 CG LEU A 34 6.812 -5.217 -13.632 1.00 0.00 C ATOM 545 CD1 LEU A 34 5.865 -6.215 -12.983 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.669 -4.530 -12.579 1.00 0.00 C ATOM 0 H LEU A 34 10.398 -5.991 -14.531 1.00 0.00 H new ATOM 0 HA LEU A 34 8.162 -7.456 -13.252 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.310 -5.157 -15.158 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.047 -6.340 -15.438 1.00 0.00 H new ATOM 0 HG LEU A 34 6.216 -4.457 -14.138 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.246 -5.703 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.227 -6.661 -13.746 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.443 -6.997 -12.491 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.025 -4.041 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.291 -5.271 -12.076 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.306 -3.786 -13.057 1.00 0.00 H new ATOM 558 N ASN A 35 9.733 -7.929 -16.089 1.00 0.00 N ATOM 559 CA ASN A 35 9.988 -8.901 -17.146 1.00 0.00 C ATOM 560 C ASN A 35 11.451 -8.866 -17.577 1.00 0.00 C ATOM 561 O ASN A 35 11.949 -7.838 -18.037 1.00 0.00 O ATOM 562 CB ASN A 35 9.084 -8.626 -18.349 1.00 0.00 C ATOM 563 CG ASN A 35 8.092 -9.746 -18.596 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.882 -9.522 -18.633 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.602 -10.961 -18.765 1.00 0.00 N ATOM 0 H ASN A 35 10.353 -7.119 -16.103 1.00 0.00 H new ATOM 0 HA ASN A 35 9.767 -9.893 -16.753 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.542 -7.694 -18.187 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.699 -8.487 -19.238 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.984 -11.755 -18.934 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.612 -11.100 -18.726 1.00 0.00 H new ATOM 572 N SER A 36 12.135 -9.995 -17.424 1.00 0.00 N ATOM 573 CA SER A 36 13.542 -10.093 -17.794 1.00 0.00 C ATOM 574 C SER A 36 13.756 -11.194 -18.829 1.00 0.00 C ATOM 575 O SER A 36 14.742 -11.930 -18.775 1.00 0.00 O ATOM 576 CB SER A 36 14.398 -10.367 -16.556 1.00 0.00 C ATOM 577 OG SER A 36 14.266 -11.713 -16.132 1.00 0.00 O ATOM 0 H SER A 36 11.738 -10.855 -17.046 1.00 0.00 H new ATOM 0 HA SER A 36 13.845 -9.142 -18.233 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.443 -10.153 -16.778 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.101 -9.697 -15.749 1.00 0.00 H new ATOM 0 HG SER A 36 14.711 -12.304 -16.775 1.00 0.00 H new ATOM 583 N THR A 37 12.825 -11.300 -19.772 1.00 0.00 N ATOM 584 CA THR A 37 12.910 -12.310 -20.819 1.00 0.00 C ATOM 585 C THR A 37 14.071 -12.026 -21.764 1.00 0.00 C ATOM 586 O THR A 37 14.583 -12.931 -22.423 1.00 0.00 O ATOM 587 CB THR A 37 11.605 -12.385 -21.635 1.00 0.00 C ATOM 588 OG1 THR A 37 11.727 -13.372 -22.664 1.00 0.00 O ATOM 589 CG2 THR A 37 11.277 -11.035 -22.255 1.00 0.00 C ATOM 0 H THR A 37 12.003 -10.699 -19.832 1.00 0.00 H new ATOM 0 HA THR A 37 13.075 -13.266 -20.323 1.00 0.00 H new ATOM 0 HB THR A 37 10.795 -12.663 -20.960 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.893 -13.415 -23.177 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.352 -11.112 -22.826 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.156 -10.292 -21.466 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.088 -10.732 -22.917 1.00 0.00 H new ATOM 597 N ASN A 38 14.483 -10.764 -21.826 1.00 0.00 N ATOM 598 CA ASN A 38 15.585 -10.361 -22.691 1.00 0.00 C ATOM 599 C ASN A 38 16.845 -10.087 -21.876 1.00 0.00 C ATOM 600 O ASN A 38 16.802 -10.028 -20.647 1.00 0.00 O ATOM 601 CB ASN A 38 15.203 -9.116 -23.494 1.00 0.00 C ATOM 602 CG ASN A 38 15.869 -9.078 -24.855 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.537 -8.105 -25.205 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.689 -10.140 -25.632 1.00 0.00 N ATOM 0 H ASN A 38 14.070 -10.003 -21.287 1.00 0.00 H new ATOM 0 HA ASN A 38 15.790 -11.180 -23.380 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.121 -9.087 -23.621 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.481 -8.225 -22.931 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.112 -10.171 -26.559 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.127 -10.925 -25.301 1.00 0.00 H new ATOM 611 N LYS A 39 17.967 -9.920 -22.568 1.00 0.00 N ATOM 612 CA LYS A 39 19.240 -9.650 -21.910 1.00 0.00 C ATOM 613 C LYS A 39 19.718 -8.233 -22.210 1.00 0.00 C ATOM 614 O LYS A 39 20.450 -7.635 -21.421 1.00 0.00 O ATOM 615 CB LYS A 39 20.295 -10.662 -22.361 1.00 0.00 C ATOM 616 CG LYS A 39 19.849 -12.108 -22.228 1.00 0.00 C ATOM 617 CD LYS A 39 21.032 -13.042 -22.038 1.00 0.00 C ATOM 618 CE LYS A 39 21.947 -13.035 -23.253 1.00 0.00 C ATOM 619 NZ LYS A 39 21.285 -13.623 -24.450 1.00 0.00 N ATOM 0 H LYS A 39 18.021 -9.967 -23.586 1.00 0.00 H new ATOM 0 HA LYS A 39 19.092 -9.744 -20.834 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.554 -10.465 -23.401 1.00 0.00 H new ATOM 0 HB3 LYS A 39 21.201 -10.515 -21.774 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.169 -12.203 -21.381 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.292 -12.401 -23.118 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.596 -12.742 -21.155 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.672 -14.055 -21.858 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.251 -12.012 -23.472 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.854 -13.596 -23.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.991 -13.772 -25.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.853 -14.534 -24.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.548 -12.974 -24.793 1.00 0.00 H new ATOM 633 N ASP A 40 19.298 -7.702 -23.353 1.00 0.00 N ATOM 634 CA ASP A 40 19.681 -6.354 -23.756 1.00 0.00 C ATOM 635 C ASP A 40 18.899 -5.308 -22.967 1.00 0.00 C ATOM 636 O ASP A 40 19.476 -4.364 -22.427 1.00 0.00 O ATOM 637 CB ASP A 40 19.447 -6.160 -25.255 1.00 0.00 C ATOM 638 CG ASP A 40 20.268 -7.116 -26.097 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.416 -6.766 -26.445 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.764 -8.215 -26.408 1.00 0.00 O ATOM 0 H ASP A 40 18.692 -8.185 -24.017 1.00 0.00 H new ATOM 0 HA ASP A 40 20.742 -6.226 -23.543 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.389 -6.302 -25.476 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.695 -5.134 -25.529 1.00 0.00 H new ATOM 645 N TRP A 41 17.584 -5.482 -22.906 1.00 0.00 N ATOM 646 CA TRP A 41 16.723 -4.553 -22.184 1.00 0.00 C ATOM 647 C TRP A 41 15.758 -5.302 -21.271 1.00 0.00 C ATOM 648 O TRP A 41 15.218 -6.343 -21.644 1.00 0.00 O ATOM 649 CB TRP A 41 15.941 -3.681 -23.167 1.00 0.00 C ATOM 650 CG TRP A 41 16.801 -3.063 -24.228 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.291 -3.676 -25.345 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.274 -1.712 -24.268 1.00 0.00 C ATOM 653 NE1 TRP A 41 18.041 -2.787 -26.078 1.00 0.00 N ATOM 654 CE2 TRP A 41 18.045 -1.576 -25.439 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.120 -0.605 -23.430 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.659 -0.376 -25.790 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.730 0.585 -23.780 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.491 0.692 -24.951 1.00 0.00 C ATOM 0 H TRP A 41 17.091 -6.258 -23.348 1.00 0.00 H new ATOM 0 HA TRP A 41 17.356 -3.915 -21.567 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.168 -4.285 -23.642 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.433 -2.890 -22.615 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.115 -4.707 -25.613 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.517 -2.996 -26.956 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.535 -0.678 -22.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.247 -0.291 -26.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.618 1.447 -23.139 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.954 1.636 -25.197 1.00 0.00 H new ATOM 669 N TRP A 42 15.547 -4.765 -20.074 1.00 0.00 N ATOM 670 CA TRP A 42 14.646 -5.384 -19.108 1.00 0.00 C ATOM 671 C TRP A 42 13.439 -4.492 -18.841 1.00 0.00 C ATOM 672 O TRP A 42 13.515 -3.271 -18.974 1.00 0.00 O ATOM 673 CB TRP A 42 15.386 -5.668 -17.800 1.00 0.00 C ATOM 674 CG TRP A 42 16.573 -6.566 -17.972 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.717 -7.569 -18.888 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.783 -6.544 -17.206 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.942 -8.171 -18.738 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.616 -7.560 -17.713 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.244 -5.763 -16.143 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.881 -7.815 -17.191 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.500 -6.017 -15.626 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.307 -7.035 -16.151 1.00 0.00 C ATOM 0 H TRP A 42 15.987 -3.904 -19.750 1.00 0.00 H new ATOM 0 HA TRP A 42 14.292 -6.325 -19.529 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.714 -4.724 -17.364 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.694 -6.124 -17.091 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.976 -7.848 -19.623 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.293 -8.947 -19.299 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.630 -4.975 -15.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.504 -8.601 -17.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.866 -5.421 -14.803 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.285 -7.207 -15.726 1.00 0.00 H new ATOM 693 N LYS A 43 12.325 -5.110 -18.462 1.00 0.00 N ATOM 694 CA LYS A 43 11.100 -4.372 -18.174 1.00 0.00 C ATOM 695 C LYS A 43 10.990 -4.061 -16.685 1.00 0.00 C ATOM 696 O LYS A 43 10.851 -4.965 -15.861 1.00 0.00 O ATOM 697 CB LYS A 43 9.879 -5.172 -18.631 1.00 0.00 C ATOM 698 CG LYS A 43 8.559 -4.460 -18.388 1.00 0.00 C ATOM 699 CD LYS A 43 8.207 -3.531 -19.537 1.00 0.00 C ATOM 700 CE LYS A 43 7.090 -4.105 -20.395 1.00 0.00 C ATOM 701 NZ LYS A 43 5.833 -4.292 -19.618 1.00 0.00 N ATOM 0 H LYS A 43 12.245 -6.120 -18.347 1.00 0.00 H new ATOM 0 HA LYS A 43 11.135 -3.430 -18.722 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.975 -5.389 -19.695 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.867 -6.130 -18.110 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.766 -5.196 -18.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.618 -3.888 -17.462 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.903 -2.562 -19.142 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.090 -3.362 -20.153 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.901 -3.439 -21.237 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.406 -5.062 -20.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.029 -3.925 -20.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.690 -5.304 -19.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.902 -3.777 -18.717 1.00 0.00 H new ATOM 715 N VAL A 44 11.051 -2.777 -16.347 1.00 0.00 N ATOM 716 CA VAL A 44 10.955 -2.348 -14.957 1.00 0.00 C ATOM 717 C VAL A 44 9.739 -1.454 -14.740 1.00 0.00 C ATOM 718 O VAL A 44 9.221 -0.856 -15.683 1.00 0.00 O ATOM 719 CB VAL A 44 12.220 -1.589 -14.515 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.430 -2.511 -14.538 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.449 -0.374 -15.401 1.00 0.00 C ATOM 0 H VAL A 44 11.166 -2.016 -17.016 1.00 0.00 H new ATOM 0 HA VAL A 44 10.852 -3.250 -14.354 1.00 0.00 H new ATOM 0 HB VAL A 44 12.076 -1.242 -13.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.315 -1.958 -14.223 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.263 -3.347 -13.859 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.580 -2.890 -15.549 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.347 0.150 -15.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.573 -0.696 -16.435 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.592 0.295 -15.329 1.00 0.00 H new ATOM 731 N GLU A 45 9.288 -1.368 -13.493 1.00 0.00 N ATOM 732 CA GLU A 45 8.132 -0.547 -13.153 1.00 0.00 C ATOM 733 C GLU A 45 8.543 0.638 -12.283 1.00 0.00 C ATOM 734 O GLU A 45 8.945 0.467 -11.132 1.00 0.00 O ATOM 735 CB GLU A 45 7.079 -1.386 -12.427 1.00 0.00 C ATOM 736 CG GLU A 45 5.926 -0.567 -11.871 1.00 0.00 C ATOM 737 CD GLU A 45 6.178 -0.094 -10.452 1.00 0.00 C ATOM 738 OE1 GLU A 45 6.104 -0.928 -9.526 1.00 0.00 O ATOM 739 OE2 GLU A 45 6.449 1.111 -10.269 1.00 0.00 O ATOM 0 H GLU A 45 9.706 -1.857 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 45 7.705 -0.164 -14.080 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.684 -2.133 -13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.557 -1.926 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.756 0.297 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.015 -1.166 -11.894 1.00 0.00 H new ATOM 746 N VAL A 46 8.439 1.839 -12.843 1.00 0.00 N ATOM 747 CA VAL A 46 8.798 3.053 -12.119 1.00 0.00 C ATOM 748 C VAL A 46 7.560 3.749 -11.565 1.00 0.00 C ATOM 749 O VAL A 46 6.432 3.420 -11.933 1.00 0.00 O ATOM 750 CB VAL A 46 9.567 4.037 -13.021 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.803 3.371 -13.606 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.663 4.565 -14.125 1.00 0.00 C ATOM 0 H VAL A 46 8.109 1.997 -13.795 1.00 0.00 H new ATOM 0 HA VAL A 46 9.441 2.751 -11.292 1.00 0.00 H new ATOM 0 HB VAL A 46 9.892 4.882 -12.414 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.333 4.081 -14.240 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.458 3.047 -12.798 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.504 2.507 -14.200 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.222 5.259 -14.753 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.306 3.733 -14.732 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.812 5.082 -13.682 1.00 0.00 H new ATOM 762 N LYS A 47 7.778 4.715 -10.679 1.00 0.00 N ATOM 763 CA LYS A 47 6.681 5.461 -10.074 1.00 0.00 C ATOM 764 C LYS A 47 6.845 6.958 -10.311 1.00 0.00 C ATOM 765 O LYS A 47 7.962 7.454 -10.457 1.00 0.00 O ATOM 766 CB LYS A 47 6.611 5.176 -8.572 1.00 0.00 C ATOM 767 CG LYS A 47 7.893 5.511 -7.829 1.00 0.00 C ATOM 768 CD LYS A 47 7.820 6.883 -7.180 1.00 0.00 C ATOM 769 CE LYS A 47 6.872 6.887 -5.991 1.00 0.00 C ATOM 770 NZ LYS A 47 6.269 8.230 -5.766 1.00 0.00 N ATOM 0 H LYS A 47 8.705 5.000 -10.364 1.00 0.00 H new ATOM 0 HA LYS A 47 5.752 5.137 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.790 5.749 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.378 4.122 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.080 4.756 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.734 5.479 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.815 7.186 -6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.488 7.617 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.080 6.156 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.411 6.576 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.629 8.191 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.023 8.923 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.733 8.516 -6.610 1.00 0.00 H new ATOM 784 N ALA A 48 5.726 7.673 -10.348 1.00 0.00 N ATOM 785 CA ALA A 48 5.747 9.115 -10.564 1.00 0.00 C ATOM 786 C ALA A 48 4.686 9.812 -9.719 1.00 0.00 C ATOM 787 O ALA A 48 3.611 9.262 -9.474 1.00 0.00 O ATOM 788 CB ALA A 48 5.541 9.430 -12.038 1.00 0.00 C ATOM 0 H ALA A 48 4.793 7.278 -10.231 1.00 0.00 H new ATOM 0 HA ALA A 48 6.723 9.490 -10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.559 10.510 -12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.338 8.971 -12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.578 9.035 -12.363 1.00 0.00 H new ATOM 794 N THR A 49 4.993 11.027 -9.275 1.00 0.00 N ATOM 795 CA THR A 49 4.067 11.798 -8.456 1.00 0.00 C ATOM 796 C THR A 49 3.637 13.076 -9.168 1.00 0.00 C ATOM 797 O THR A 49 4.453 13.960 -9.423 1.00 0.00 O ATOM 798 CB THR A 49 4.692 12.167 -7.097 1.00 0.00 C ATOM 799 OG1 THR A 49 5.040 10.977 -6.379 1.00 0.00 O ATOM 800 CG2 THR A 49 3.730 13.003 -6.268 1.00 0.00 C ATOM 0 H THR A 49 5.877 11.498 -9.469 1.00 0.00 H new ATOM 0 HA THR A 49 3.194 11.167 -8.287 1.00 0.00 H new ATOM 0 HB THR A 49 5.591 12.755 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.438 11.220 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.193 13.251 -5.313 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.490 13.921 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.815 12.437 -6.091 1.00 0.00 H new ATOM 808 N ALA A 50 2.349 13.166 -9.485 1.00 0.00 N ATOM 809 CA ALA A 50 1.810 14.337 -10.165 1.00 0.00 C ATOM 810 C ALA A 50 0.458 14.735 -9.584 1.00 0.00 C ATOM 811 O ALA A 50 -0.344 13.880 -9.211 1.00 0.00 O ATOM 812 CB ALA A 50 1.688 14.071 -11.658 1.00 0.00 C ATOM 0 H ALA A 50 1.660 12.442 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 50 2.500 15.166 -10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.284 14.954 -12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.672 13.843 -12.068 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.021 13.225 -11.824 1.00 0.00 H new ATOM 818 N ASN A 51 0.212 16.039 -9.509 1.00 0.00 N ATOM 819 CA ASN A 51 -1.044 16.550 -8.972 1.00 0.00 C ATOM 820 C ASN A 51 -1.447 15.789 -7.713 1.00 0.00 C ATOM 821 O ASN A 51 -2.541 15.231 -7.636 1.00 0.00 O ATOM 822 CB ASN A 51 -2.152 16.445 -10.022 1.00 0.00 C ATOM 823 CG ASN A 51 -1.933 15.291 -10.981 1.00 0.00 C ATOM 824 OD1 ASN A 51 -1.168 15.403 -11.939 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.605 14.174 -10.726 1.00 0.00 N ATOM 0 H ASN A 51 0.865 16.761 -9.813 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.899 17.598 -8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.112 16.321 -9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.204 17.377 -10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.498 13.364 -11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.228 14.127 -9.920 1.00 0.00 H new ATOM 832 N GLY A 52 -0.555 15.771 -6.727 1.00 0.00 N ATOM 833 CA GLY A 52 -0.836 15.076 -5.485 1.00 0.00 C ATOM 834 C GLY A 52 -1.355 13.670 -5.711 1.00 0.00 C ATOM 835 O GLY A 52 -2.223 13.195 -4.978 1.00 0.00 O ATOM 0 H GLY A 52 0.357 16.226 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.072 15.032 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.570 15.643 -4.913 1.00 0.00 H new ATOM 839 N LYS A 53 -0.825 13.003 -6.730 1.00 0.00 N ATOM 840 CA LYS A 53 -1.240 11.643 -7.053 1.00 0.00 C ATOM 841 C LYS A 53 -0.039 10.785 -7.439 1.00 0.00 C ATOM 842 O LYS A 53 0.829 11.219 -8.198 1.00 0.00 O ATOM 843 CB LYS A 53 -2.259 11.656 -8.195 1.00 0.00 C ATOM 844 CG LYS A 53 -3.552 12.372 -7.847 1.00 0.00 C ATOM 845 CD LYS A 53 -4.585 11.413 -7.278 1.00 0.00 C ATOM 846 CE LYS A 53 -5.862 12.139 -6.884 1.00 0.00 C ATOM 847 NZ LYS A 53 -6.676 11.347 -5.920 1.00 0.00 N ATOM 0 H LYS A 53 -0.107 13.382 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.703 11.211 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.811 12.135 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.487 10.629 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.349 13.161 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.954 12.854 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.815 10.645 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.171 10.905 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.610 13.102 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.453 12.344 -7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.538 11.876 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.938 10.438 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.121 11.173 -5.058 1.00 0.00 H new ATOM 861 N THR A 54 0.004 9.565 -6.914 1.00 0.00 N ATOM 862 CA THR A 54 1.098 8.646 -7.204 1.00 0.00 C ATOM 863 C THR A 54 0.663 7.566 -8.188 1.00 0.00 C ATOM 864 O THR A 54 -0.253 6.792 -7.909 1.00 0.00 O ATOM 865 CB THR A 54 1.623 7.975 -5.921 1.00 0.00 C ATOM 866 OG1 THR A 54 0.545 7.764 -5.002 1.00 0.00 O ATOM 867 CG2 THR A 54 2.697 8.829 -5.264 1.00 0.00 C ATOM 0 H THR A 54 -0.706 9.190 -6.285 1.00 0.00 H new ATOM 0 HA THR A 54 1.898 9.238 -7.649 1.00 0.00 H new ATOM 0 HB THR A 54 2.061 7.015 -6.193 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.887 7.335 -4.190 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.052 8.335 -4.360 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.529 8.963 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.280 9.802 -5.005 1.00 0.00 H new ATOM 875 N TYR A 55 1.325 7.518 -9.338 1.00 0.00 N ATOM 876 CA TYR A 55 1.005 6.533 -10.364 1.00 0.00 C ATOM 877 C TYR A 55 2.262 5.809 -10.836 1.00 0.00 C ATOM 878 O TYR A 55 3.317 6.420 -11.004 1.00 0.00 O ATOM 879 CB TYR A 55 0.316 7.208 -11.552 1.00 0.00 C ATOM 880 CG TYR A 55 1.251 8.040 -12.401 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.953 7.472 -13.457 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.432 9.394 -12.147 1.00 0.00 C ATOM 883 CE1 TYR A 55 2.809 8.228 -14.235 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.284 10.158 -12.921 1.00 0.00 C ATOM 885 CZ TYR A 55 2.970 9.570 -13.963 1.00 0.00 C ATOM 886 OH TYR A 55 3.821 10.327 -14.735 1.00 0.00 O ATOM 0 H TYR A 55 2.087 8.150 -9.583 1.00 0.00 H new ATOM 0 HA TYR A 55 0.327 5.799 -9.928 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.145 6.443 -12.177 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.488 7.844 -11.182 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.827 6.421 -13.674 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.898 9.857 -11.331 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.349 7.770 -15.051 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.412 11.210 -12.711 1.00 0.00 H new ATOM 0 HH TYR A 55 3.820 11.252 -14.412 1.00 0.00 H new ATOM 896 N GLU A 56 2.141 4.502 -11.047 1.00 0.00 N ATOM 897 CA GLU A 56 3.267 3.694 -11.499 1.00 0.00 C ATOM 898 C GLU A 56 3.113 3.319 -12.970 1.00 0.00 C ATOM 899 O GLU A 56 1.998 3.143 -13.463 1.00 0.00 O ATOM 900 CB GLU A 56 3.388 2.428 -10.648 1.00 0.00 C ATOM 901 CG GLU A 56 3.715 2.703 -9.190 1.00 0.00 C ATOM 902 CD GLU A 56 2.475 2.905 -8.342 1.00 0.00 C ATOM 903 OE1 GLU A 56 1.580 2.035 -8.385 1.00 0.00 O ATOM 904 OE2 GLU A 56 2.398 3.932 -7.637 1.00 0.00 O ATOM 0 H GLU A 56 1.275 3.981 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 56 4.175 4.287 -11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.452 1.873 -10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.163 1.789 -11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.294 1.871 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.344 3.591 -9.124 1.00 0.00 H new ATOM 911 N ARG A 57 4.239 3.199 -13.665 1.00 0.00 N ATOM 912 CA ARG A 57 4.229 2.847 -15.080 1.00 0.00 C ATOM 913 C ARG A 57 5.340 1.851 -15.400 1.00 0.00 C ATOM 914 O ARG A 57 6.404 1.875 -14.782 1.00 0.00 O ATOM 915 CB ARG A 57 4.391 4.101 -15.941 1.00 0.00 C ATOM 916 CG ARG A 57 5.490 5.034 -15.458 1.00 0.00 C ATOM 917 CD ARG A 57 5.582 6.281 -16.323 1.00 0.00 C ATOM 918 NE ARG A 57 6.206 6.007 -17.614 1.00 0.00 N ATOM 919 CZ ARG A 57 6.343 6.917 -18.572 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.903 8.153 -18.384 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.922 6.591 -19.721 1.00 0.00 N ATOM 0 H ARG A 57 5.170 3.340 -13.272 1.00 0.00 H new ATOM 0 HA ARG A 57 3.270 2.381 -15.306 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.605 3.802 -16.967 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.446 4.644 -15.958 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.297 5.320 -14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.446 4.510 -15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.583 6.686 -16.482 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.156 7.045 -15.798 1.00 0.00 H new ATOM 0 HE ARG A 57 6.556 5.065 -17.790 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.458 8.407 -17.502 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.009 8.850 -19.121 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.262 5.641 -19.869 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.027 7.291 -20.456 1.00 0.00 H new ATOM 935 N GLN A 58 5.083 0.977 -16.368 1.00 0.00 N ATOM 936 CA GLN A 58 6.061 -0.028 -16.768 1.00 0.00 C ATOM 937 C GLN A 58 6.825 0.421 -18.010 1.00 0.00 C ATOM 938 O GLN A 58 6.244 0.972 -18.943 1.00 0.00 O ATOM 939 CB GLN A 58 5.369 -1.365 -17.036 1.00 0.00 C ATOM 940 CG GLN A 58 4.891 -2.066 -15.775 1.00 0.00 C ATOM 941 CD GLN A 58 3.924 -3.197 -16.067 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.734 -3.104 -15.765 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.431 -4.273 -16.657 1.00 0.00 N ATOM 0 H GLN A 58 4.207 0.945 -16.889 1.00 0.00 H new ATOM 0 HA GLN A 58 6.772 -0.153 -15.951 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.516 -1.198 -17.694 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.058 -2.021 -17.568 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.752 -2.459 -15.234 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.408 -1.340 -15.121 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.424 -4.307 -16.890 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.828 -5.065 -16.878 1.00 0.00 H new ATOM 952 N GLY A 59 8.133 0.180 -18.013 1.00 0.00 N ATOM 953 CA GLY A 59 8.956 0.566 -19.145 1.00 0.00 C ATOM 954 C GLY A 59 10.161 -0.336 -19.320 1.00 0.00 C ATOM 955 O GLY A 59 10.344 -1.293 -18.567 1.00 0.00 O ATOM 0 H GLY A 59 8.637 -0.275 -17.252 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.354 0.542 -20.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.292 1.594 -19.012 1.00 0.00 H new ATOM 959 N PHE A 60 10.986 -0.032 -20.317 1.00 0.00 N ATOM 960 CA PHE A 60 12.179 -0.825 -20.590 1.00 0.00 C ATOM 961 C PHE A 60 13.443 -0.020 -20.304 1.00 0.00 C ATOM 962 O PHE A 60 13.459 1.203 -20.443 1.00 0.00 O ATOM 963 CB PHE A 60 12.180 -1.298 -22.045 1.00 0.00 C ATOM 964 CG PHE A 60 10.965 -2.099 -22.416 1.00 0.00 C ATOM 965 CD1 PHE A 60 10.941 -3.472 -22.229 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.847 -1.480 -22.951 1.00 0.00 C ATOM 967 CE1 PHE A 60 9.824 -4.212 -22.569 1.00 0.00 C ATOM 968 CE2 PHE A 60 8.728 -2.215 -23.292 1.00 0.00 C ATOM 969 CZ PHE A 60 8.717 -3.583 -23.102 1.00 0.00 C ATOM 0 H PHE A 60 10.850 0.757 -20.949 1.00 0.00 H new ATOM 0 HA PHE A 60 12.166 -1.694 -19.933 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.247 -0.430 -22.701 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.071 -1.901 -22.222 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.805 -3.969 -21.813 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.850 -0.411 -23.103 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.817 -5.281 -22.418 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.862 -1.720 -23.707 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.844 -4.159 -23.370 1.00 0.00 H new ATOM 979 N VAL A 61 14.503 -0.716 -19.903 1.00 0.00 N ATOM 980 CA VAL A 61 15.772 -0.067 -19.597 1.00 0.00 C ATOM 981 C VAL A 61 16.949 -0.913 -20.070 1.00 0.00 C ATOM 982 O VAL A 61 16.861 -2.136 -20.184 1.00 0.00 O ATOM 983 CB VAL A 61 15.918 0.197 -18.087 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.936 1.266 -17.634 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.719 -1.090 -17.300 1.00 0.00 C ATOM 0 H VAL A 61 14.507 -1.729 -19.783 1.00 0.00 H new ATOM 0 HA VAL A 61 15.776 0.886 -20.126 1.00 0.00 H new ATOM 0 HB VAL A 61 16.927 0.561 -17.895 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.054 1.439 -16.564 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.131 2.192 -18.175 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.918 0.935 -17.838 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.826 -0.885 -16.235 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.722 -1.486 -17.496 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.466 -1.822 -17.605 1.00 0.00 H new ATOM 995 N PRO A 62 18.079 -0.249 -20.353 1.00 0.00 N ATOM 996 CA PRO A 62 19.297 -0.920 -20.817 1.00 0.00 C ATOM 997 C PRO A 62 19.948 -1.761 -19.725 1.00 0.00 C ATOM 998 O PRO A 62 20.390 -1.235 -18.704 1.00 0.00 O ATOM 999 CB PRO A 62 20.212 0.241 -21.216 1.00 0.00 C ATOM 1000 CG PRO A 62 19.740 1.393 -20.397 1.00 0.00 C ATOM 1001 CD PRO A 62 18.256 1.209 -20.240 1.00 0.00 C ATOM 0 HA PRO A 62 19.093 -1.618 -21.629 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.257 0.010 -21.010 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.137 0.456 -22.282 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.236 1.411 -19.426 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.966 2.340 -20.888 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.904 1.583 -19.279 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.701 1.742 -21.012 1.00 0.00 H new ATOM 1009 N ALA A 63 20.005 -3.070 -19.947 1.00 0.00 N ATOM 1010 CA ALA A 63 20.605 -3.983 -18.982 1.00 0.00 C ATOM 1011 C ALA A 63 22.086 -3.679 -18.786 1.00 0.00 C ATOM 1012 O ALA A 63 22.706 -4.151 -17.832 1.00 0.00 O ATOM 1013 CB ALA A 63 20.414 -5.425 -19.430 1.00 0.00 C ATOM 0 H ALA A 63 19.643 -3.522 -20.787 1.00 0.00 H new ATOM 0 HA ALA A 63 20.103 -3.842 -18.025 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.867 -6.096 -18.700 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.349 -5.643 -19.511 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.889 -5.571 -20.400 1.00 0.00 H new ATOM 1019 N ALA A 64 22.649 -2.890 -19.695 1.00 0.00 N ATOM 1020 CA ALA A 64 24.058 -2.523 -19.621 1.00 0.00 C ATOM 1021 C ALA A 64 24.290 -1.448 -18.564 1.00 0.00 C ATOM 1022 O ALA A 64 25.395 -1.308 -18.040 1.00 0.00 O ATOM 1023 CB ALA A 64 24.551 -2.046 -20.979 1.00 0.00 C ATOM 0 H ALA A 64 22.151 -2.493 -20.491 1.00 0.00 H new ATOM 0 HA ALA A 64 24.624 -3.408 -19.332 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.605 -1.775 -20.909 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.429 -2.844 -21.711 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.973 -1.176 -21.291 1.00 0.00 H new ATOM 1029 N TYR A 65 23.242 -0.691 -18.257 1.00 0.00 N ATOM 1030 CA TYR A 65 23.334 0.374 -17.266 1.00 0.00 C ATOM 1031 C TYR A 65 22.671 -0.043 -15.956 1.00 0.00 C ATOM 1032 O TYR A 65 22.992 0.481 -14.889 1.00 0.00 O ATOM 1033 CB TYR A 65 22.681 1.651 -17.796 1.00 0.00 C ATOM 1034 CG TYR A 65 23.345 2.200 -19.039 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.699 1.992 -19.275 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.621 2.926 -19.976 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.311 2.492 -20.409 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.224 3.428 -21.113 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.569 3.208 -21.325 1.00 0.00 C ATOM 1040 OH TYR A 65 25.174 3.708 -22.455 1.00 0.00 O ATOM 0 H TYR A 65 22.320 -0.795 -18.680 1.00 0.00 H new ATOM 0 HA TYR A 65 24.390 0.567 -17.074 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.632 1.449 -18.014 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.704 2.412 -17.016 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.282 1.430 -18.560 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.568 3.101 -19.813 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.364 2.323 -20.577 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.646 3.989 -21.832 1.00 0.00 H new ATOM 0 HH TYR A 65 24.512 4.186 -22.996 1.00 0.00 H new ATOM 1050 N VAL A 66 21.743 -0.991 -16.046 1.00 0.00 N ATOM 1051 CA VAL A 66 21.034 -1.481 -14.870 1.00 0.00 C ATOM 1052 C VAL A 66 21.308 -2.963 -14.641 1.00 0.00 C ATOM 1053 O VAL A 66 21.344 -3.752 -15.585 1.00 0.00 O ATOM 1054 CB VAL A 66 19.515 -1.265 -14.999 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.199 0.211 -15.185 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.956 -2.087 -16.151 1.00 0.00 C ATOM 0 H VAL A 66 21.465 -1.435 -16.921 1.00 0.00 H new ATOM 0 HA VAL A 66 21.403 -0.910 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 66 19.039 -1.601 -14.078 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.121 0.344 -15.274 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.564 0.772 -14.325 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.686 0.576 -16.089 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.881 -1.922 -16.228 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.437 -1.784 -17.081 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.149 -3.145 -15.971 1.00 0.00 H new ATOM 1066 N LYS A 67 21.501 -3.336 -13.380 1.00 0.00 N ATOM 1067 CA LYS A 67 21.770 -4.724 -13.025 1.00 0.00 C ATOM 1068 C LYS A 67 20.784 -5.217 -11.972 1.00 0.00 C ATOM 1069 O LYS A 67 20.325 -4.448 -11.127 1.00 0.00 O ATOM 1070 CB LYS A 67 23.203 -4.871 -12.507 1.00 0.00 C ATOM 1071 CG LYS A 67 23.494 -6.234 -11.902 1.00 0.00 C ATOM 1072 CD LYS A 67 24.917 -6.317 -11.376 1.00 0.00 C ATOM 1073 CE LYS A 67 24.946 -6.727 -9.911 1.00 0.00 C ATOM 1074 NZ LYS A 67 24.142 -5.806 -9.062 1.00 0.00 N ATOM 0 H LYS A 67 21.476 -2.695 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 67 21.650 -5.332 -13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.897 -4.691 -13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.390 -4.102 -11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.793 -6.430 -11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.337 -7.008 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.484 -7.036 -11.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.407 -5.351 -11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.562 -7.742 -9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.977 -6.740 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.552 -5.768 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.149 -4.854 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.163 -6.152 -9.005 1.00 0.00 H new ATOM 1088 N LYS A 68 20.463 -6.505 -12.025 1.00 0.00 N ATOM 1089 CA LYS A 68 19.533 -7.103 -11.074 1.00 0.00 C ATOM 1090 C LYS A 68 20.230 -7.410 -9.752 1.00 0.00 C ATOM 1091 O LYS A 68 21.423 -7.714 -9.723 1.00 0.00 O ATOM 1092 CB LYS A 68 18.931 -8.384 -11.655 1.00 0.00 C ATOM 1093 CG LYS A 68 17.615 -8.163 -12.381 1.00 0.00 C ATOM 1094 CD LYS A 68 17.022 -9.473 -12.873 1.00 0.00 C ATOM 1095 CE LYS A 68 17.949 -10.169 -13.858 1.00 0.00 C ATOM 1096 NZ LYS A 68 18.248 -9.312 -15.038 1.00 0.00 N ATOM 0 H LYS A 68 20.834 -7.156 -12.717 1.00 0.00 H new ATOM 0 HA LYS A 68 18.734 -6.386 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.646 -8.831 -12.345 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.776 -9.101 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.908 -7.671 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.773 -7.494 -13.227 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.833 -10.130 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.060 -9.282 -13.349 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.880 -10.434 -13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.491 -11.100 -14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.218 -9.889 -15.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.541 -8.552 -15.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.195 -8.895 -14.933 1.00 0.00 H new