USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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 86 TYR OH : rot 102:sc= 0.552 USER MOD Set 1.2: A 90 GLN : amide:sc= -2.32! C(o=-1.8!,f=-3.8!) USER MOD Set 2.1: A 29 TYR OH : rot -82:sc= -1.01 USER MOD Set 2.2: A 81 THR OG1 : rot 100:sc= 1.11 USER MOD Set 2.3: A 97 THR OG1 : rot 93:sc= -0.0713 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -8.12! C(o=-11!,f=-8.1!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 47 ASN : amide:sc= -0.587 K(o=-0.59,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot -69:sc= 0.592 USER MOD Single : A 54 SER OG : rot 180:sc= -1.07 USER MOD Single : A 57 CYS SG : rot -108:sc= -4.93! USER MOD Single : A 59 GLN : amide:sc=-0.00982 X(o=-0.0098,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -4.59! C(o=-4.6!,f=-9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.19) USER MOD Single : A 70 THR OG1 : rot -66:sc= 1.19 USER MOD Single : A 72 SER OG : rot 180:sc= 0.492 USER MOD Single : A 77 SER OG : rot 77:sc= 0.0648 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.79 K(o=-1.8,f=-5.3!) USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0307 USER MOD Single : A 89 HIS : no HD1:sc= -7.34! C(o=-7.3!,f=-9.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -7.311 6.047 -4.125 1.00 0.00 N ATOM 95 CA SER A 6 -7.165 5.632 -5.510 1.00 0.00 C ATOM 96 C SER A 6 -6.522 4.245 -5.576 1.00 0.00 C ATOM 97 O SER A 6 -6.800 3.470 -6.489 1.00 0.00 O ATOM 98 CB SER A 6 -6.332 6.641 -6.303 1.00 0.00 C ATOM 99 OG SER A 6 -7.139 7.439 -7.165 1.00 0.00 O ATOM 0 HA SER A 6 -8.157 5.588 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.791 7.287 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.585 6.110 -6.894 1.00 0.00 H new ATOM 0 HG SER A 6 -6.571 8.071 -7.652 1.00 0.00 H new ATOM 105 N VAL A 7 -5.673 3.975 -4.594 1.00 0.00 N ATOM 106 CA VAL A 7 -4.988 2.695 -4.529 1.00 0.00 C ATOM 107 C VAL A 7 -5.993 1.602 -4.161 1.00 0.00 C ATOM 108 O VAL A 7 -6.181 0.647 -4.914 1.00 0.00 O ATOM 109 CB VAL A 7 -3.813 2.780 -3.553 1.00 0.00 C ATOM 110 CG1 VAL A 7 -3.043 1.458 -3.505 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.884 3.942 -3.913 1.00 0.00 C ATOM 0 H VAL A 7 -5.444 4.620 -3.838 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.568 2.436 -5.501 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.217 2.969 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.213 1.546 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.710 0.660 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.657 1.226 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.057 3.980 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.492 3.796 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.440 4.879 -3.872 1.00 0.00 H new ATOM 121 N LEU A 8 -6.612 1.777 -3.002 1.00 0.00 N ATOM 122 CA LEU A 8 -7.592 0.817 -2.525 1.00 0.00 C ATOM 123 C LEU A 8 -8.778 1.567 -1.913 1.00 0.00 C ATOM 124 O LEU A 8 -8.608 2.641 -1.339 1.00 0.00 O ATOM 125 CB LEU A 8 -6.941 -0.185 -1.571 1.00 0.00 C ATOM 126 CG LEU A 8 -5.963 -1.177 -2.205 1.00 0.00 C ATOM 127 CD1 LEU A 8 -5.332 -2.080 -1.143 1.00 0.00 C ATOM 128 CD2 LEU A 8 -6.642 -1.984 -3.314 1.00 0.00 C ATOM 0 H LEU A 8 -6.453 2.570 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.981 0.226 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.413 0.371 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.730 -0.750 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.155 -0.611 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.641 -2.775 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.791 -1.469 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.114 -2.640 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.925 -2.681 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.482 -2.540 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.003 -1.307 -4.088 1.00 0.00 H new ATOM 140 N SER A 9 -9.952 0.971 -2.058 1.00 0.00 N ATOM 141 CA SER A 9 -11.165 1.569 -1.527 1.00 0.00 C ATOM 142 C SER A 9 -11.213 1.395 -0.007 1.00 0.00 C ATOM 143 O SER A 9 -10.278 0.862 0.589 1.00 0.00 O ATOM 144 CB SER A 9 -12.410 0.954 -2.170 1.00 0.00 C ATOM 145 OG SER A 9 -13.467 1.901 -2.299 1.00 0.00 O ATOM 0 H SER A 9 -10.089 0.080 -2.536 1.00 0.00 H new ATOM 0 HA SER A 9 -11.153 2.633 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.153 0.561 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.750 0.111 -1.568 1.00 0.00 H new ATOM 0 HG SER A 9 -14.243 1.471 -2.715 1.00 0.00 H new ATOM 151 N GLY A 10 -12.311 1.854 0.575 1.00 0.00 N ATOM 152 CA GLY A 10 -12.492 1.756 2.013 1.00 0.00 C ATOM 153 C GLY A 10 -12.368 0.305 2.484 1.00 0.00 C ATOM 154 O GLY A 10 -11.561 0.001 3.361 1.00 0.00 O ATOM 0 H GLY A 10 -13.084 2.295 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.748 2.371 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.471 2.149 2.287 1.00 0.00 H new ATOM 158 N GLY A 11 -13.178 -0.551 1.879 1.00 0.00 N ATOM 159 CA GLY A 11 -13.169 -1.962 2.225 1.00 0.00 C ATOM 160 C GLY A 11 -11.805 -2.589 1.932 1.00 0.00 C ATOM 161 O GLY A 11 -11.274 -3.340 2.750 1.00 0.00 O ATOM 0 H GLY A 11 -13.845 -0.295 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.409 -2.083 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.942 -2.484 1.660 1.00 0.00 H new ATOM 165 N GLU A 12 -11.275 -2.259 0.764 1.00 0.00 N ATOM 166 CA GLU A 12 -9.983 -2.780 0.353 1.00 0.00 C ATOM 167 C GLU A 12 -8.897 -2.344 1.339 1.00 0.00 C ATOM 168 O GLU A 12 -7.930 -3.071 1.564 1.00 0.00 O ATOM 169 CB GLU A 12 -9.641 -2.338 -1.071 1.00 0.00 C ATOM 170 CG GLU A 12 -10.516 -3.062 -2.096 1.00 0.00 C ATOM 171 CD GLU A 12 -11.954 -2.540 -2.055 1.00 0.00 C ATOM 172 OE1 GLU A 12 -12.731 -3.081 -1.238 1.00 0.00 O ATOM 173 OE2 GLU A 12 -12.243 -1.613 -2.841 1.00 0.00 O ATOM 0 H GLU A 12 -11.718 -1.636 0.088 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.034 -3.869 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.781 -1.261 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.590 -2.542 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.103 -2.923 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.508 -4.133 -1.894 1.00 0.00 H new ATOM 180 N LEU A 13 -9.093 -1.160 1.899 1.00 0.00 N ATOM 181 CA LEU A 13 -8.142 -0.619 2.856 1.00 0.00 C ATOM 182 C LEU A 13 -8.301 -1.344 4.193 1.00 0.00 C ATOM 183 O LEU A 13 -7.317 -1.598 4.887 1.00 0.00 O ATOM 184 CB LEU A 13 -8.292 0.901 2.959 1.00 0.00 C ATOM 185 CG LEU A 13 -7.580 1.719 1.880 1.00 0.00 C ATOM 186 CD1 LEU A 13 -8.339 3.015 1.584 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.123 1.984 2.265 1.00 0.00 C ATOM 0 H LEU A 13 -9.896 -0.560 1.709 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.121 -0.794 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.354 1.144 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.919 1.218 3.933 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.569 1.135 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.812 3.578 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.344 2.777 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.403 3.615 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.640 2.567 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.090 2.539 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.600 1.035 2.386 1.00 0.00 H new ATOM 199 N ASP A 14 -9.547 -1.658 4.515 1.00 0.00 N ATOM 200 CA ASP A 14 -9.848 -2.349 5.757 1.00 0.00 C ATOM 201 C ASP A 14 -9.179 -3.725 5.745 1.00 0.00 C ATOM 202 O ASP A 14 -8.644 -4.169 6.759 1.00 0.00 O ATOM 203 CB ASP A 14 -11.355 -2.557 5.921 1.00 0.00 C ATOM 204 CG ASP A 14 -11.897 -2.278 7.324 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.363 -2.893 8.272 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.834 -1.455 7.417 1.00 0.00 O ATOM 0 H ASP A 14 -10.360 -1.446 3.937 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.477 -1.739 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.875 -1.912 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.596 -3.586 5.653 1.00 0.00 H new ATOM 211 N LYS A 15 -9.233 -4.363 4.584 1.00 0.00 N ATOM 212 CA LYS A 15 -8.639 -5.680 4.426 1.00 0.00 C ATOM 213 C LYS A 15 -7.120 -5.538 4.302 1.00 0.00 C ATOM 214 O LYS A 15 -6.371 -6.334 4.867 1.00 0.00 O ATOM 215 CB LYS A 15 -9.285 -6.422 3.255 1.00 0.00 C ATOM 216 CG LYS A 15 -9.483 -7.902 3.585 1.00 0.00 C ATOM 217 CD LYS A 15 -10.936 -8.325 3.360 1.00 0.00 C ATOM 218 CE LYS A 15 -11.167 -8.742 1.907 1.00 0.00 C ATOM 219 NZ LYS A 15 -11.686 -10.126 1.840 1.00 0.00 N ATOM 0 H LYS A 15 -9.679 -3.992 3.745 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.831 -6.293 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.247 -5.967 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.659 -6.324 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.824 -8.508 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.203 -8.088 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.184 -9.153 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.602 -7.501 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.874 -8.059 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.233 -8.670 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.837 -10.392 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.999 -10.776 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.588 -10.184 2.355 1.00 0.00 H new ATOM 233 N TRP A 16 -6.712 -4.520 3.560 1.00 0.00 N ATOM 234 CA TRP A 16 -5.296 -4.264 3.354 1.00 0.00 C ATOM 235 C TRP A 16 -4.643 -4.094 4.727 1.00 0.00 C ATOM 236 O TRP A 16 -3.483 -4.459 4.916 1.00 0.00 O ATOM 237 CB TRP A 16 -5.085 -3.057 2.438 1.00 0.00 C ATOM 238 CG TRP A 16 -3.898 -2.176 2.833 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.868 -1.191 3.741 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.561 -2.241 2.292 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.615 -0.619 3.825 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.795 -1.277 2.916 1.00 0.00 C ATOM 243 CE3 TRP A 16 -2.018 -3.086 1.309 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.442 -1.068 2.626 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.664 -2.864 1.030 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.121 -1.898 1.649 1.00 0.00 C ATOM 0 H TRP A 16 -7.337 -3.862 3.094 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.822 -5.103 2.844 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.939 -3.410 1.417 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.991 -2.450 2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.718 -0.883 4.333 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.341 0.146 4.441 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.599 -3.846 0.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.137 -0.307 3.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.197 -3.487 0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.161 -1.788 1.377 1.00 0.00 H new ATOM 257 N GLU A 17 -5.415 -3.540 5.650 1.00 0.00 N ATOM 258 CA GLU A 17 -4.925 -3.318 7.000 1.00 0.00 C ATOM 259 C GLU A 17 -5.219 -4.535 7.879 1.00 0.00 C ATOM 260 O GLU A 17 -5.461 -4.396 9.077 1.00 0.00 O ATOM 261 CB GLU A 17 -5.532 -2.048 7.601 1.00 0.00 C ATOM 262 CG GLU A 17 -7.020 -2.241 7.902 1.00 0.00 C ATOM 263 CD GLU A 17 -7.545 -1.126 8.808 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.104 0.026 8.604 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.375 -1.450 9.685 1.00 0.00 O ATOM 0 H GLU A 17 -6.376 -3.238 5.490 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.845 -3.180 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.003 -1.786 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.402 -1.216 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.585 -2.253 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.175 -3.208 8.381 1.00 0.00 H new ATOM 272 N LYS A 18 -5.189 -5.700 7.249 1.00 0.00 N ATOM 273 CA LYS A 18 -5.449 -6.941 7.959 1.00 0.00 C ATOM 274 C LYS A 18 -4.201 -7.824 7.908 1.00 0.00 C ATOM 275 O LYS A 18 -4.151 -8.872 8.550 1.00 0.00 O ATOM 276 CB LYS A 18 -6.705 -7.620 7.409 1.00 0.00 C ATOM 277 CG LYS A 18 -7.268 -8.628 8.413 1.00 0.00 C ATOM 278 CD LYS A 18 -6.983 -10.064 7.967 1.00 0.00 C ATOM 279 CE LYS A 18 -8.275 -10.783 7.575 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.097 -12.250 7.656 1.00 0.00 N ATOM 0 H LYS A 18 -4.989 -5.811 6.255 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.656 -6.742 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.460 -6.867 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.469 -8.127 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.827 -8.454 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.343 -8.482 8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.296 -10.056 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.490 -10.608 8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.085 -10.472 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.562 -10.501 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.983 -12.723 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.338 -12.544 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.845 -12.516 8.629 1.00 0.00 H new ATOM 294 N ILE A 19 -3.223 -7.368 7.139 1.00 0.00 N ATOM 295 CA ILE A 19 -1.978 -8.104 6.996 1.00 0.00 C ATOM 296 C ILE A 19 -1.017 -7.693 8.114 1.00 0.00 C ATOM 297 O ILE A 19 -0.922 -6.515 8.454 1.00 0.00 O ATOM 298 CB ILE A 19 -1.403 -7.916 5.591 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.469 -8.173 4.524 1.00 0.00 C ATOM 300 CG2 ILE A 19 -0.163 -8.788 5.385 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.007 -6.857 3.958 1.00 0.00 C ATOM 0 H ILE A 19 -3.267 -6.498 6.608 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.153 -9.174 7.103 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.087 -6.878 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.045 -8.773 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.288 -8.750 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.226 -8.635 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.600 -8.514 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.430 -9.837 5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.763 -7.068 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.452 -6.270 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.190 -6.294 3.507 1.00 0.00 H new ATOM 313 N ARG A 20 -0.330 -8.688 8.655 1.00 0.00 N ATOM 314 CA ARG A 20 0.620 -8.446 9.728 1.00 0.00 C ATOM 315 C ARG A 20 2.007 -8.153 9.152 1.00 0.00 C ATOM 316 O ARG A 20 2.344 -8.625 8.067 1.00 0.00 O ATOM 317 CB ARG A 20 0.709 -9.649 10.668 1.00 0.00 C ATOM 318 CG ARG A 20 -0.367 -9.577 11.754 1.00 0.00 C ATOM 319 CD ARG A 20 0.034 -10.402 12.978 1.00 0.00 C ATOM 320 NE ARG A 20 -0.773 -11.641 13.041 1.00 0.00 N ATOM 321 CZ ARG A 20 -0.733 -12.513 14.058 1.00 0.00 C ATOM 322 NH1 ARG A 20 0.075 -12.287 15.103 1.00 0.00 N ATOM 323 NH2 ARG A 20 -1.500 -13.611 14.030 1.00 0.00 N ATOM 0 H ARG A 20 -0.412 -9.664 8.370 1.00 0.00 H new ATOM 0 HA ARG A 20 0.268 -7.584 10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.594 -10.570 10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.696 -9.682 11.130 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.525 -8.539 12.046 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.314 -9.944 11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.094 -10.651 12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.113 -9.816 13.885 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.399 -11.844 12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.659 -11.451 15.124 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.105 -12.951 15.877 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.115 -13.784 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.469 -14.274 14.804 1.00 0.00 H new ATOM 337 N LEU A 21 2.773 -7.377 9.904 1.00 0.00 N ATOM 338 CA LEU A 21 4.116 -7.017 9.482 1.00 0.00 C ATOM 339 C LEU A 21 5.086 -8.134 9.872 1.00 0.00 C ATOM 340 O LEU A 21 6.010 -8.448 9.123 1.00 0.00 O ATOM 341 CB LEU A 21 4.503 -5.645 10.040 1.00 0.00 C ATOM 342 CG LEU A 21 3.575 -4.486 9.672 1.00 0.00 C ATOM 343 CD1 LEU A 21 4.255 -3.139 9.922 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.076 -4.618 8.232 1.00 0.00 C ATOM 0 H LEU A 21 2.489 -6.987 10.803 1.00 0.00 H new ATOM 0 HA LEU A 21 4.161 -6.920 8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.549 -5.717 11.127 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.508 -5.404 9.693 1.00 0.00 H new ATOM 0 HG LEU A 21 2.700 -4.530 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.574 -2.332 9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.518 -3.054 10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.158 -3.069 9.316 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.418 -3.781 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.927 -4.614 7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.527 -5.553 8.121 1.00 0.00 H new ATOM 356 N ARG A 22 4.841 -8.705 11.042 1.00 0.00 N ATOM 357 CA ARG A 22 5.682 -9.781 11.540 1.00 0.00 C ATOM 358 C ARG A 22 4.822 -10.979 11.949 1.00 0.00 C ATOM 359 O ARG A 22 3.663 -10.816 12.325 1.00 0.00 O ATOM 360 CB ARG A 22 6.510 -9.322 12.741 1.00 0.00 C ATOM 361 CG ARG A 22 7.776 -8.593 12.287 1.00 0.00 C ATOM 362 CD ARG A 22 8.845 -8.615 13.382 1.00 0.00 C ATOM 363 NE ARG A 22 8.997 -7.265 13.968 1.00 0.00 N ATOM 364 CZ ARG A 22 9.931 -6.940 14.873 1.00 0.00 C ATOM 365 NH1 ARG A 22 10.801 -7.865 15.300 1.00 0.00 N ATOM 366 NH2 ARG A 22 9.995 -5.690 15.350 1.00 0.00 N ATOM 0 H ARG A 22 4.073 -8.443 11.660 1.00 0.00 H new ATOM 0 HA ARG A 22 6.359 -10.072 10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.912 -8.662 13.369 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.781 -10.184 13.351 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.166 -9.062 11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.534 -7.562 12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.568 -9.328 14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.796 -8.949 12.967 1.00 0.00 H new ATOM 0 HE ARG A 22 8.351 -6.536 13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.753 -8.817 14.936 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.512 -7.617 15.989 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.333 -4.985 15.025 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.706 -5.443 16.039 1.00 0.00 H new ATOM 380 N PRO A 23 5.441 -12.187 11.861 1.00 0.00 N ATOM 381 CA PRO A 23 4.746 -13.412 12.217 1.00 0.00 C ATOM 382 C PRO A 23 4.620 -13.549 13.736 1.00 0.00 C ATOM 383 O PRO A 23 3.612 -14.043 14.238 1.00 0.00 O ATOM 384 CB PRO A 23 5.563 -14.527 11.586 1.00 0.00 C ATOM 385 CG PRO A 23 6.930 -13.929 11.296 1.00 0.00 C ATOM 386 CD PRO A 23 6.813 -12.418 11.420 1.00 0.00 C ATOM 0 HA PRO A 23 3.719 -13.434 11.852 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.645 -15.380 12.259 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.092 -14.887 10.671 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.671 -14.313 11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.263 -14.205 10.296 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.531 -12.023 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.011 -11.926 10.468 1.00 0.00 H new ATOM 394 N GLY A 24 5.660 -13.102 14.426 1.00 0.00 N ATOM 395 CA GLY A 24 5.679 -13.168 15.877 1.00 0.00 C ATOM 396 C GLY A 24 5.445 -11.787 16.493 1.00 0.00 C ATOM 397 O GLY A 24 5.411 -11.645 17.714 1.00 0.00 O ATOM 0 H GLY A 24 6.495 -12.693 14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.910 -13.859 16.223 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.638 -13.563 16.214 1.00 0.00 H new ATOM 401 N GLY A 25 5.288 -10.804 15.618 1.00 0.00 N ATOM 402 CA GLY A 25 5.058 -9.439 16.060 1.00 0.00 C ATOM 403 C GLY A 25 3.561 -9.143 16.168 1.00 0.00 C ATOM 404 O GLY A 25 2.736 -10.048 16.054 1.00 0.00 O ATOM 0 H GLY A 25 5.316 -10.926 14.606 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.534 -9.281 17.028 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.520 -8.743 15.360 1.00 0.00 H new ATOM 408 N LYS A 26 3.256 -7.872 16.386 1.00 0.00 N ATOM 409 CA LYS A 26 1.873 -7.445 16.510 1.00 0.00 C ATOM 410 C LYS A 26 1.659 -6.175 15.684 1.00 0.00 C ATOM 411 O LYS A 26 1.046 -5.219 16.156 1.00 0.00 O ATOM 412 CB LYS A 26 1.490 -7.292 17.984 1.00 0.00 C ATOM 413 CG LYS A 26 -0.018 -7.081 18.139 1.00 0.00 C ATOM 414 CD LYS A 26 -0.395 -6.886 19.609 1.00 0.00 C ATOM 415 CE LYS A 26 -0.546 -5.401 19.945 1.00 0.00 C ATOM 416 NZ LYS A 26 -0.724 -5.214 21.402 1.00 0.00 N ATOM 0 H LYS A 26 3.943 -7.124 16.480 1.00 0.00 H new ATOM 0 HA LYS A 26 1.203 -8.204 16.107 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.795 -8.180 18.537 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.026 -6.447 18.417 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.328 -6.210 17.561 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.553 -7.940 17.733 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.329 -7.407 19.821 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.370 -7.331 20.246 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.335 -4.854 19.607 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.402 -4.987 19.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.825 -4.200 21.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.577 -5.719 21.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.105 -5.591 21.904 1.00 0.00 H new ATOM 430 N LYS A 27 2.178 -6.206 14.465 1.00 0.00 N ATOM 431 CA LYS A 27 2.051 -5.069 13.569 1.00 0.00 C ATOM 432 C LYS A 27 1.145 -5.448 12.396 1.00 0.00 C ATOM 433 O LYS A 27 1.005 -6.626 12.071 1.00 0.00 O ATOM 434 CB LYS A 27 3.432 -4.568 13.142 1.00 0.00 C ATOM 435 CG LYS A 27 3.984 -3.556 14.149 1.00 0.00 C ATOM 436 CD LYS A 27 5.079 -2.695 13.517 1.00 0.00 C ATOM 437 CE LYS A 27 6.155 -2.335 14.544 1.00 0.00 C ATOM 438 NZ LYS A 27 7.130 -1.387 13.962 1.00 0.00 N ATOM 0 H LYS A 27 2.687 -7.000 14.077 1.00 0.00 H new ATOM 0 HA LYS A 27 1.577 -4.231 14.081 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.118 -5.411 13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.367 -4.107 12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.177 -2.918 14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.385 -4.082 15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.532 -3.231 12.683 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.641 -1.784 13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.691 -1.893 15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.669 -3.238 14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.853 -1.153 14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.585 -1.822 13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.638 -0.519 13.670 1.00 0.00 H new ATOM 452 N GLN A 28 0.554 -4.428 11.793 1.00 0.00 N ATOM 453 CA GLN A 28 -0.335 -4.639 10.663 1.00 0.00 C ATOM 454 C GLN A 28 -0.295 -3.432 9.723 1.00 0.00 C ATOM 455 O GLN A 28 0.149 -2.353 10.112 1.00 0.00 O ATOM 456 CB GLN A 28 -1.764 -4.919 11.134 1.00 0.00 C ATOM 457 CG GLN A 28 -2.355 -3.701 11.846 1.00 0.00 C ATOM 458 CD GLN A 28 -3.103 -4.117 13.115 1.00 0.00 C ATOM 459 OE1 GLN A 28 -2.606 -4.007 14.223 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.322 -4.599 12.891 1.00 0.00 N ATOM 0 H GLN A 28 0.673 -3.452 12.065 1.00 0.00 H new ATOM 0 HA GLN A 28 0.010 -5.515 10.114 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.387 -5.183 10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.767 -5.776 11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.558 -3.003 12.102 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.035 -3.177 11.174 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.677 -4.664 11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.902 -4.904 13.673 1.00 0.00 H new ATOM 469 N TYR A 29 -0.764 -3.656 8.505 1.00 0.00 N ATOM 470 CA TYR A 29 -0.787 -2.601 7.506 1.00 0.00 C ATOM 471 C TYR A 29 -1.875 -1.572 7.821 1.00 0.00 C ATOM 472 O TYR A 29 -2.805 -1.857 8.574 1.00 0.00 O ATOM 473 CB TYR A 29 -1.117 -3.284 6.178 1.00 0.00 C ATOM 474 CG TYR A 29 0.088 -3.937 5.498 1.00 0.00 C ATOM 475 CD1 TYR A 29 0.991 -4.665 6.245 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.271 -3.799 4.137 1.00 0.00 C ATOM 477 CE1 TYR A 29 2.125 -5.280 5.605 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.405 -4.413 3.496 1.00 0.00 C ATOM 479 CZ TYR A 29 2.276 -5.123 4.262 1.00 0.00 C ATOM 480 OH TYR A 29 3.347 -5.704 3.657 1.00 0.00 O ATOM 0 H TYR A 29 -1.131 -4.553 8.187 1.00 0.00 H new ATOM 0 HA TYR A 29 0.168 -2.077 7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.879 -4.044 6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.549 -2.548 5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.847 -4.774 7.310 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.437 -3.230 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.839 -5.853 6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.560 -4.312 2.432 1.00 0.00 H new ATOM 0 HH TYR A 29 4.135 -5.132 3.768 1.00 0.00 H new ATOM 490 N LYS A 30 -1.722 -0.397 7.228 1.00 0.00 N ATOM 491 CA LYS A 30 -2.680 0.676 7.436 1.00 0.00 C ATOM 492 C LYS A 30 -2.359 1.832 6.486 1.00 0.00 C ATOM 493 O LYS A 30 -1.343 1.806 5.792 1.00 0.00 O ATOM 494 CB LYS A 30 -2.716 1.084 8.910 1.00 0.00 C ATOM 495 CG LYS A 30 -4.151 1.346 9.371 1.00 0.00 C ATOM 496 CD LYS A 30 -4.261 2.698 10.080 1.00 0.00 C ATOM 497 CE LYS A 30 -5.679 3.262 9.967 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.075 3.924 11.230 1.00 0.00 N ATOM 0 H LYS A 30 -0.950 -0.164 6.604 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.688 0.337 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.272 0.297 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.113 1.980 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.822 1.326 8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.471 0.551 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.993 2.585 11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.551 3.400 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.729 3.975 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.379 2.459 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.040 4.301 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.047 3.234 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.417 4.703 11.435 1.00 0.00 H new ATOM 512 N LEU A 31 -3.243 2.819 6.485 1.00 0.00 N ATOM 513 CA LEU A 31 -3.066 3.981 5.632 1.00 0.00 C ATOM 514 C LEU A 31 -1.696 4.605 5.905 1.00 0.00 C ATOM 515 O LEU A 31 -1.116 5.245 5.029 1.00 0.00 O ATOM 516 CB LEU A 31 -4.232 4.956 5.807 1.00 0.00 C ATOM 517 CG LEU A 31 -4.786 5.576 4.523 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.665 6.184 3.679 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.610 4.557 3.733 1.00 0.00 C ATOM 0 H LEU A 31 -4.084 2.837 7.062 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.080 3.689 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.043 4.434 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.910 5.762 6.467 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.458 6.389 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.087 6.618 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.159 6.961 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.949 5.407 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.992 5.024 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.981 3.708 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.445 4.213 4.343 1.00 0.00 H new ATOM 531 N LYS A 32 -1.219 4.398 7.123 1.00 0.00 N ATOM 532 CA LYS A 32 0.072 4.932 7.523 1.00 0.00 C ATOM 533 C LYS A 32 1.168 4.306 6.658 1.00 0.00 C ATOM 534 O LYS A 32 2.055 5.005 6.171 1.00 0.00 O ATOM 535 CB LYS A 32 0.289 4.741 9.025 1.00 0.00 C ATOM 536 CG LYS A 32 0.970 5.965 9.641 1.00 0.00 C ATOM 537 CD LYS A 32 2.452 5.693 9.907 1.00 0.00 C ATOM 538 CE LYS A 32 2.819 6.026 11.354 1.00 0.00 C ATOM 539 NZ LYS A 32 4.045 6.854 11.401 1.00 0.00 N ATOM 0 H LYS A 32 -1.704 3.867 7.847 1.00 0.00 H new ATOM 0 HA LYS A 32 0.108 6.008 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.669 4.568 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.900 3.855 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.868 6.818 8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.473 6.231 10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.676 4.646 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.062 6.288 9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.996 6.558 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.973 5.106 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.280 7.071 12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.832 6.333 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.885 7.740 10.881 1.00 0.00 H new ATOM 553 N HIS A 33 1.071 2.994 6.494 1.00 0.00 N ATOM 554 CA HIS A 33 2.043 2.266 5.697 1.00 0.00 C ATOM 555 C HIS A 33 1.873 2.630 4.221 1.00 0.00 C ATOM 556 O HIS A 33 2.852 2.715 3.482 1.00 0.00 O ATOM 557 CB HIS A 33 1.937 0.761 5.952 1.00 0.00 C ATOM 558 CG HIS A 33 2.008 0.379 7.412 1.00 0.00 C ATOM 559 ND1 HIS A 33 1.974 1.149 8.537 1.00 0.00 N flip ATOM 560 CD2 HIS A 33 2.131 -0.932 7.838 1.00 0.00 C flip ATOM 561 CE1 HIS A 33 2.069 0.352 9.594 1.00 0.00 C flip ATOM 562 NE2 HIS A 33 2.167 -0.939 9.163 1.00 0.00 N flip ATOM 0 H HIS A 33 0.334 2.417 6.900 1.00 0.00 H new ATOM 0 HA HIS A 33 3.051 2.556 5.993 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.997 0.398 5.537 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.739 0.254 5.415 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.890 2.165 8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.188 -1.801 7.200 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.069 0.672 10.625 1.00 0.00 H new ATOM 571 N ILE A 34 0.622 2.836 3.836 1.00 0.00 N ATOM 572 CA ILE A 34 0.310 3.190 2.461 1.00 0.00 C ATOM 573 C ILE A 34 0.898 4.567 2.148 1.00 0.00 C ATOM 574 O ILE A 34 1.421 4.789 1.057 1.00 0.00 O ATOM 575 CB ILE A 34 -1.196 3.092 2.211 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.637 1.632 2.085 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.604 3.922 0.993 1.00 0.00 C ATOM 578 CD1 ILE A 34 -3.155 1.531 1.915 1.00 0.00 C ATOM 0 H ILE A 34 -0.188 2.765 4.452 1.00 0.00 H new ATOM 0 HA ILE A 34 0.770 2.483 1.771 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.714 3.511 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.140 1.171 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.329 1.077 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.679 3.835 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.345 4.967 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.079 3.556 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.442 0.483 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.648 1.972 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.457 2.066 1.015 1.00 0.00 H new ATOM 590 N VAL A 35 0.791 5.457 3.124 1.00 0.00 N ATOM 591 CA VAL A 35 1.305 6.806 2.966 1.00 0.00 C ATOM 592 C VAL A 35 2.834 6.762 2.912 1.00 0.00 C ATOM 593 O VAL A 35 3.453 7.497 2.144 1.00 0.00 O ATOM 594 CB VAL A 35 0.772 7.704 4.085 1.00 0.00 C ATOM 595 CG1 VAL A 35 1.695 8.903 4.312 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.657 8.161 3.787 1.00 0.00 C ATOM 0 H VAL A 35 0.356 5.270 4.027 1.00 0.00 H new ATOM 0 HA VAL A 35 0.959 7.239 2.027 1.00 0.00 H new ATOM 0 HB VAL A 35 0.752 7.118 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.293 9.525 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.688 8.550 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.762 9.489 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.012 8.798 4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.672 8.721 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.307 7.290 3.699 1.00 0.00 H new ATOM 606 N TRP A 36 3.398 5.892 3.737 1.00 0.00 N ATOM 607 CA TRP A 36 4.843 5.743 3.792 1.00 0.00 C ATOM 608 C TRP A 36 5.317 5.229 2.432 1.00 0.00 C ATOM 609 O TRP A 36 6.254 5.774 1.850 1.00 0.00 O ATOM 610 CB TRP A 36 5.255 4.834 4.952 1.00 0.00 C ATOM 611 CG TRP A 36 6.744 4.480 4.966 1.00 0.00 C ATOM 612 CD1 TRP A 36 7.786 5.303 5.144 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.317 3.168 4.786 1.00 0.00 C ATOM 614 NE1 TRP A 36 8.984 4.620 5.093 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.690 3.280 4.868 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.696 1.927 4.562 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.558 2.190 4.737 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.577 0.846 4.433 1.00 0.00 C ATOM 619 CH2 TRP A 36 8.961 0.943 4.513 1.00 0.00 C ATOM 0 H TRP A 36 2.881 5.284 4.372 1.00 0.00 H new ATOM 0 HA TRP A 36 5.323 6.702 3.988 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.999 5.323 5.892 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.673 3.913 4.903 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.699 6.367 5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.914 5.024 5.201 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.624 1.816 4.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.630 2.304 4.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.151 -0.131 4.259 1.00 0.00 H new ATOM 0 HH2 TRP A 36 9.574 0.060 4.403 1.00 0.00 H new ATOM 630 N ALA A 37 4.650 4.184 1.964 1.00 0.00 N ATOM 631 CA ALA A 37 4.992 3.590 0.683 1.00 0.00 C ATOM 632 C ALA A 37 4.807 4.631 -0.423 1.00 0.00 C ATOM 633 O ALA A 37 5.649 4.756 -1.310 1.00 0.00 O ATOM 634 CB ALA A 37 4.139 2.340 0.455 1.00 0.00 C ATOM 0 H ALA A 37 3.874 3.733 2.449 1.00 0.00 H new ATOM 0 HA ALA A 37 6.037 3.279 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.396 1.895 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.329 1.620 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.084 2.614 0.458 1.00 0.00 H new ATOM 640 N SER A 38 3.699 5.352 -0.333 1.00 0.00 N ATOM 641 CA SER A 38 3.392 6.379 -1.315 1.00 0.00 C ATOM 642 C SER A 38 4.504 7.429 -1.338 1.00 0.00 C ATOM 643 O SER A 38 4.903 7.893 -2.405 1.00 0.00 O ATOM 644 CB SER A 38 2.044 7.039 -1.019 1.00 0.00 C ATOM 645 OG SER A 38 1.428 7.547 -2.199 1.00 0.00 O ATOM 0 H SER A 38 3.003 5.246 0.405 1.00 0.00 H new ATOM 0 HA SER A 38 3.327 5.907 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.381 6.314 -0.547 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.187 7.851 -0.306 1.00 0.00 H new ATOM 0 HG SER A 38 0.569 7.959 -1.968 1.00 0.00 H new ATOM 651 N ARG A 39 4.973 7.775 -0.148 1.00 0.00 N ATOM 652 CA ARG A 39 6.031 8.762 -0.018 1.00 0.00 C ATOM 653 C ARG A 39 7.308 8.264 -0.696 1.00 0.00 C ATOM 654 O ARG A 39 7.982 9.021 -1.394 1.00 0.00 O ATOM 655 CB ARG A 39 6.326 9.063 1.452 1.00 0.00 C ATOM 656 CG ARG A 39 6.839 10.494 1.627 1.00 0.00 C ATOM 657 CD ARG A 39 6.557 11.009 3.040 1.00 0.00 C ATOM 658 NE ARG A 39 7.733 10.775 3.908 1.00 0.00 N ATOM 659 CZ ARG A 39 8.878 11.467 3.823 1.00 0.00 C ATOM 660 NH1 ARG A 39 9.008 12.439 2.910 1.00 0.00 N ATOM 661 NH2 ARG A 39 9.893 11.186 4.652 1.00 0.00 N ATOM 0 H ARG A 39 4.639 7.389 0.735 1.00 0.00 H new ATOM 0 HA ARG A 39 5.692 9.677 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.422 8.922 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.067 8.359 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.911 10.526 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.362 11.147 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.324 12.073 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.684 10.504 3.453 1.00 0.00 H new ATOM 0 HE ARG A 39 7.668 10.042 4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.236 12.653 2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.879 12.965 2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.794 10.446 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.764 11.712 4.588 1.00 0.00 H new ATOM 675 N GLU A 40 7.604 6.992 -0.468 1.00 0.00 N ATOM 676 CA GLU A 40 8.789 6.384 -1.048 1.00 0.00 C ATOM 677 C GLU A 40 8.639 6.270 -2.566 1.00 0.00 C ATOM 678 O GLU A 40 9.603 6.461 -3.305 1.00 0.00 O ATOM 679 CB GLU A 40 9.066 5.016 -0.421 1.00 0.00 C ATOM 680 CG GLU A 40 10.561 4.695 -0.441 1.00 0.00 C ATOM 681 CD GLU A 40 11.178 5.046 -1.797 1.00 0.00 C ATOM 682 OE1 GLU A 40 11.155 4.159 -2.678 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.659 6.193 -1.922 1.00 0.00 O ATOM 0 H GLU A 40 7.043 6.366 0.110 1.00 0.00 H new ATOM 0 HA GLU A 40 9.644 7.026 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.702 5.003 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.518 4.246 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.067 5.252 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.712 3.636 -0.231 1.00 0.00 H new ATOM 690 N LEU A 41 7.421 5.961 -2.987 1.00 0.00 N ATOM 691 CA LEU A 41 7.132 5.820 -4.403 1.00 0.00 C ATOM 692 C LEU A 41 7.325 7.170 -5.096 1.00 0.00 C ATOM 693 O LEU A 41 8.025 7.261 -6.103 1.00 0.00 O ATOM 694 CB LEU A 41 5.741 5.217 -4.609 1.00 0.00 C ATOM 695 CG LEU A 41 5.666 3.689 -4.614 1.00 0.00 C ATOM 696 CD1 LEU A 41 5.023 3.167 -3.327 1.00 0.00 C ATOM 697 CD2 LEU A 41 4.944 3.179 -5.863 1.00 0.00 C ATOM 0 H LEU A 41 6.623 5.804 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 41 7.829 5.121 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.085 5.591 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.345 5.583 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 41 6.683 3.298 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.982 2.078 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.616 3.485 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.013 3.566 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.905 2.090 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.930 3.578 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.482 3.505 -6.753 1.00 0.00 H new ATOM 709 N GLU A 42 6.693 8.187 -4.528 1.00 0.00 N ATOM 710 CA GLU A 42 6.786 9.528 -5.078 1.00 0.00 C ATOM 711 C GLU A 42 8.239 10.007 -5.064 1.00 0.00 C ATOM 712 O GLU A 42 8.669 10.724 -5.967 1.00 0.00 O ATOM 713 CB GLU A 42 5.882 10.498 -4.314 1.00 0.00 C ATOM 714 CG GLU A 42 4.740 10.997 -5.202 1.00 0.00 C ATOM 715 CD GLU A 42 4.232 12.360 -4.728 1.00 0.00 C ATOM 716 OE1 GLU A 42 4.173 12.545 -3.493 1.00 0.00 O ATOM 717 OE2 GLU A 42 3.914 13.186 -5.611 1.00 0.00 O ATOM 0 H GLU A 42 6.114 8.109 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 42 6.442 9.500 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.473 10.003 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.469 11.345 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.083 11.072 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.923 10.276 -5.189 1.00 0.00 H new ATOM 724 N ARG A 43 8.956 9.592 -4.029 1.00 0.00 N ATOM 725 CA ARG A 43 10.352 9.970 -3.886 1.00 0.00 C ATOM 726 C ARG A 43 11.222 9.163 -4.852 1.00 0.00 C ATOM 727 O ARG A 43 12.306 9.603 -5.232 1.00 0.00 O ATOM 728 CB ARG A 43 10.841 9.739 -2.455 1.00 0.00 C ATOM 729 CG ARG A 43 11.048 11.067 -1.725 1.00 0.00 C ATOM 730 CD ARG A 43 12.330 11.040 -0.890 1.00 0.00 C ATOM 731 NE ARG A 43 12.003 10.775 0.529 1.00 0.00 N ATOM 732 CZ ARG A 43 12.914 10.709 1.510 1.00 0.00 C ATOM 733 NH1 ARG A 43 14.212 10.890 1.232 1.00 0.00 N ATOM 734 NH2 ARG A 43 12.526 10.464 2.769 1.00 0.00 N ATOM 0 H ARG A 43 8.596 8.998 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 43 10.434 11.032 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.116 9.131 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.777 9.180 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.099 11.880 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.193 11.268 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.003 10.270 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.853 11.992 -0.980 1.00 0.00 H new ATOM 0 HE ARG A 43 11.023 10.634 0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.507 11.078 0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.905 10.840 1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.538 10.328 2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.219 10.414 3.516 1.00 0.00 H new ATOM 748 N PHE A 44 10.714 7.996 -5.222 1.00 0.00 N ATOM 749 CA PHE A 44 11.432 7.124 -6.136 1.00 0.00 C ATOM 750 C PHE A 44 11.154 7.507 -7.591 1.00 0.00 C ATOM 751 O PHE A 44 11.759 6.956 -8.508 1.00 0.00 O ATOM 752 CB PHE A 44 10.923 5.702 -5.889 1.00 0.00 C ATOM 753 CG PHE A 44 11.885 4.828 -5.082 1.00 0.00 C ATOM 754 CD1 PHE A 44 12.763 5.403 -4.217 1.00 0.00 C ATOM 755 CD2 PHE A 44 11.863 3.477 -5.230 1.00 0.00 C ATOM 756 CE1 PHE A 44 13.656 4.592 -3.468 1.00 0.00 C ATOM 757 CE2 PHE A 44 12.756 2.666 -4.481 1.00 0.00 C ATOM 758 CZ PHE A 44 13.633 3.240 -3.616 1.00 0.00 C ATOM 0 H PHE A 44 9.814 7.634 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 44 12.505 7.208 -5.965 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.969 5.755 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.732 5.223 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.781 6.476 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.166 3.020 -5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.353 5.048 -2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.738 1.593 -4.599 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.312 2.623 -3.046 1.00 0.00 H new ATOM 768 N ALA A 45 10.238 8.450 -7.756 1.00 0.00 N ATOM 769 CA ALA A 45 9.873 8.914 -9.084 1.00 0.00 C ATOM 770 C ALA A 45 8.833 7.964 -9.683 1.00 0.00 C ATOM 771 O ALA A 45 8.872 7.669 -10.876 1.00 0.00 O ATOM 772 CB ALA A 45 11.129 9.024 -9.950 1.00 0.00 C ATOM 0 H ALA A 45 9.738 8.905 -6.992 1.00 0.00 H new ATOM 0 HA ALA A 45 9.424 9.906 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.855 9.372 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.823 9.732 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.606 8.047 -10.026 1.00 0.00 H new ATOM 778 N VAL A 46 7.928 7.512 -8.827 1.00 0.00 N ATOM 779 CA VAL A 46 6.880 6.602 -9.257 1.00 0.00 C ATOM 780 C VAL A 46 5.516 7.210 -8.926 1.00 0.00 C ATOM 781 O VAL A 46 5.344 7.822 -7.873 1.00 0.00 O ATOM 782 CB VAL A 46 7.091 5.225 -8.624 1.00 0.00 C ATOM 783 CG1 VAL A 46 6.271 4.157 -9.350 1.00 0.00 C ATOM 784 CG2 VAL A 46 8.575 4.855 -8.599 1.00 0.00 C ATOM 0 H VAL A 46 7.899 7.759 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 46 6.918 6.458 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 46 6.741 5.272 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.439 3.188 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.212 4.410 -9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.577 4.112 -10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.697 3.872 -8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.962 4.834 -9.618 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.125 5.595 -8.017 1.00 0.00 H new ATOM 794 N ASN A 47 4.581 7.020 -9.845 1.00 0.00 N ATOM 795 CA ASN A 47 3.237 7.542 -9.664 1.00 0.00 C ATOM 796 C ASN A 47 2.485 6.665 -8.661 1.00 0.00 C ATOM 797 O ASN A 47 2.505 5.440 -8.765 1.00 0.00 O ATOM 798 CB ASN A 47 2.458 7.528 -10.981 1.00 0.00 C ATOM 799 CG ASN A 47 1.706 8.844 -11.188 1.00 0.00 C ATOM 800 OD1 ASN A 47 1.971 9.848 -10.546 1.00 0.00 O ATOM 801 ND2 ASN A 47 0.757 8.785 -12.117 1.00 0.00 N ATOM 0 H ASN A 47 4.727 6.512 -10.717 1.00 0.00 H new ATOM 0 HA ASN A 47 3.319 8.568 -9.305 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.144 7.363 -11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.752 6.698 -10.981 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.199 9.612 -12.329 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.587 7.913 -12.617 1.00 0.00 H new ATOM 808 N PRO A 48 1.821 7.345 -7.687 1.00 0.00 N ATOM 809 CA PRO A 48 1.064 6.641 -6.666 1.00 0.00 C ATOM 810 C PRO A 48 -0.250 6.101 -7.233 1.00 0.00 C ATOM 811 O PRO A 48 -0.626 4.961 -6.962 1.00 0.00 O ATOM 812 CB PRO A 48 0.859 7.659 -5.557 1.00 0.00 C ATOM 813 CG PRO A 48 1.100 9.020 -6.190 1.00 0.00 C ATOM 814 CD PRO A 48 1.775 8.796 -7.534 1.00 0.00 C ATOM 0 HA PRO A 48 1.584 5.760 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.149 7.592 -5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.551 7.484 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.158 9.553 -6.320 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.728 9.635 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.212 9.262 -8.343 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.775 9.228 -7.552 1.00 0.00 H new ATOM 822 N GLY A 49 -0.914 6.945 -8.010 1.00 0.00 N ATOM 823 CA GLY A 49 -2.179 6.567 -8.617 1.00 0.00 C ATOM 824 C GLY A 49 -2.002 5.367 -9.551 1.00 0.00 C ATOM 825 O GLY A 49 -2.838 4.466 -9.574 1.00 0.00 O ATOM 0 H GLY A 49 -0.599 7.889 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.902 6.323 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.585 7.410 -9.176 1.00 0.00 H new ATOM 829 N LEU A 50 -0.907 5.395 -10.297 1.00 0.00 N ATOM 830 CA LEU A 50 -0.610 4.322 -11.229 1.00 0.00 C ATOM 831 C LEU A 50 -0.217 3.067 -10.447 1.00 0.00 C ATOM 832 O LEU A 50 -0.135 1.978 -11.014 1.00 0.00 O ATOM 833 CB LEU A 50 0.445 4.769 -12.244 1.00 0.00 C ATOM 834 CG LEU A 50 1.886 4.354 -11.941 1.00 0.00 C ATOM 835 CD1 LEU A 50 2.064 2.842 -12.095 1.00 0.00 C ATOM 836 CD2 LEU A 50 2.876 5.139 -12.803 1.00 0.00 C ATOM 0 H LEU A 50 -0.215 6.144 -10.274 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.495 4.070 -11.814 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.171 4.372 -13.221 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.409 5.856 -12.320 1.00 0.00 H new ATOM 0 HG LEU A 50 2.101 4.600 -10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.097 2.573 -11.874 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.399 2.325 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.824 2.550 -13.117 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.893 4.824 -12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.672 4.948 -13.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.770 6.205 -12.600 1.00 0.00 H new ATOM 848 N LEU A 51 0.016 3.261 -9.158 1.00 0.00 N ATOM 849 CA LEU A 51 0.398 2.158 -8.292 1.00 0.00 C ATOM 850 C LEU A 51 -0.862 1.472 -7.761 1.00 0.00 C ATOM 851 O LEU A 51 -0.775 0.498 -7.014 1.00 0.00 O ATOM 852 CB LEU A 51 1.344 2.644 -7.192 1.00 0.00 C ATOM 853 CG LEU A 51 1.221 1.936 -5.841 1.00 0.00 C ATOM 854 CD1 LEU A 51 1.748 0.501 -5.924 1.00 0.00 C ATOM 855 CD2 LEU A 51 1.913 2.737 -4.737 1.00 0.00 C ATOM 0 H LEU A 51 -0.052 4.166 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 51 0.957 1.409 -8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.369 2.533 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.174 3.710 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 51 0.164 1.877 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.649 0.020 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.173 -0.056 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.798 0.515 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.811 2.212 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.970 2.850 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.452 3.722 -4.658 1.00 0.00 H new ATOM 867 N GLU A 52 -2.004 2.006 -8.167 1.00 0.00 N ATOM 868 CA GLU A 52 -3.280 1.457 -7.742 1.00 0.00 C ATOM 869 C GLU A 52 -3.590 0.174 -8.515 1.00 0.00 C ATOM 870 O GLU A 52 -4.157 -0.768 -7.962 1.00 0.00 O ATOM 871 CB GLU A 52 -4.402 2.483 -7.910 1.00 0.00 C ATOM 872 CG GLU A 52 -4.759 2.668 -9.387 1.00 0.00 C ATOM 873 CD GLU A 52 -5.398 4.037 -9.629 1.00 0.00 C ATOM 874 OE1 GLU A 52 -5.073 4.961 -8.852 1.00 0.00 O ATOM 875 OE2 GLU A 52 -6.199 4.128 -10.585 1.00 0.00 O ATOM 0 H GLU A 52 -2.072 2.814 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.213 1.212 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.283 2.157 -7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.093 3.438 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.861 2.569 -9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.446 1.882 -9.700 1.00 0.00 H new ATOM 882 N THR A 53 -3.205 0.177 -9.783 1.00 0.00 N ATOM 883 CA THR A 53 -3.435 -0.975 -10.638 1.00 0.00 C ATOM 884 C THR A 53 -2.513 -2.128 -10.238 1.00 0.00 C ATOM 885 O THR A 53 -1.348 -1.911 -9.908 1.00 0.00 O ATOM 886 CB THR A 53 -3.255 -0.529 -12.091 1.00 0.00 C ATOM 887 OG1 THR A 53 -1.843 -0.419 -12.248 1.00 0.00 O ATOM 888 CG2 THR A 53 -3.769 0.891 -12.335 1.00 0.00 C ATOM 0 H THR A 53 -2.735 0.959 -10.239 1.00 0.00 H new ATOM 0 HA THR A 53 -4.450 -1.357 -10.523 1.00 0.00 H new ATOM 0 HB THR A 53 -3.777 -1.222 -12.751 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.514 0.343 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.618 1.158 -13.381 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.832 0.939 -12.098 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.224 1.589 -11.700 1.00 0.00 H new ATOM 896 N SER A 54 -3.068 -3.330 -10.281 1.00 0.00 N ATOM 897 CA SER A 54 -2.310 -4.518 -9.927 1.00 0.00 C ATOM 898 C SER A 54 -1.059 -4.620 -10.801 1.00 0.00 C ATOM 899 O SER A 54 -0.061 -5.216 -10.396 1.00 0.00 O ATOM 900 CB SER A 54 -3.164 -5.780 -10.073 1.00 0.00 C ATOM 901 OG SER A 54 -4.557 -5.495 -9.986 1.00 0.00 O ATOM 0 H SER A 54 -4.034 -3.507 -10.556 1.00 0.00 H new ATOM 0 HA SER A 54 -2.010 -4.434 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.950 -6.254 -11.031 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.891 -6.494 -9.296 1.00 0.00 H new ATOM 0 HG SER A 54 -5.068 -6.325 -10.086 1.00 0.00 H new ATOM 907 N GLU A 55 -1.152 -4.029 -11.983 1.00 0.00 N ATOM 908 CA GLU A 55 -0.039 -4.046 -12.917 1.00 0.00 C ATOM 909 C GLU A 55 1.089 -3.142 -12.416 1.00 0.00 C ATOM 910 O GLU A 55 2.248 -3.552 -12.379 1.00 0.00 O ATOM 911 CB GLU A 55 -0.493 -3.630 -14.318 1.00 0.00 C ATOM 912 CG GLU A 55 -0.621 -4.847 -15.237 1.00 0.00 C ATOM 913 CD GLU A 55 -1.538 -4.544 -16.424 1.00 0.00 C ATOM 914 OE1 GLU A 55 -1.105 -3.750 -17.287 1.00 0.00 O ATOM 915 OE2 GLU A 55 -2.650 -5.114 -16.442 1.00 0.00 O ATOM 0 H GLU A 55 -1.981 -3.536 -12.315 1.00 0.00 H new ATOM 0 HA GLU A 55 0.340 -5.066 -12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.451 -3.115 -14.255 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.222 -2.924 -14.741 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.365 -5.139 -15.600 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.016 -5.692 -14.674 1.00 0.00 H new ATOM 922 N GLY A 56 0.710 -1.929 -12.042 1.00 0.00 N ATOM 923 CA GLY A 56 1.675 -0.964 -11.544 1.00 0.00 C ATOM 924 C GLY A 56 2.350 -1.471 -10.269 1.00 0.00 C ATOM 925 O GLY A 56 3.542 -1.246 -10.061 1.00 0.00 O ATOM 0 H GLY A 56 -0.252 -1.592 -12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.429 -0.772 -12.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.176 -0.016 -11.343 1.00 0.00 H new ATOM 929 N CYS A 57 1.560 -2.147 -9.447 1.00 0.00 N ATOM 930 CA CYS A 57 2.066 -2.688 -8.198 1.00 0.00 C ATOM 931 C CYS A 57 3.062 -3.802 -8.525 1.00 0.00 C ATOM 932 O CYS A 57 4.140 -3.868 -7.936 1.00 0.00 O ATOM 933 CB CYS A 57 0.933 -3.182 -7.295 1.00 0.00 C ATOM 934 SG CYS A 57 1.367 -2.907 -5.539 1.00 0.00 S ATOM 0 H CYS A 57 0.572 -2.332 -9.623 1.00 0.00 H new ATOM 0 HA CYS A 57 2.573 -1.902 -7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.009 -2.656 -7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.752 -4.242 -7.472 1.00 0.00 H new ATOM 0 HG CYS A 57 1.638 -4.047 -4.975 1.00 0.00 H new ATOM 940 N ARG A 58 2.666 -4.649 -9.464 1.00 0.00 N ATOM 941 CA ARG A 58 3.511 -5.757 -9.877 1.00 0.00 C ATOM 942 C ARG A 58 4.789 -5.233 -10.536 1.00 0.00 C ATOM 943 O ARG A 58 5.859 -5.816 -10.374 1.00 0.00 O ATOM 944 CB ARG A 58 2.778 -6.673 -10.858 1.00 0.00 C ATOM 945 CG ARG A 58 3.516 -8.002 -11.025 1.00 0.00 C ATOM 946 CD ARG A 58 3.540 -8.437 -12.491 1.00 0.00 C ATOM 947 NE ARG A 58 4.429 -9.608 -12.658 1.00 0.00 N ATOM 948 CZ ARG A 58 5.766 -9.550 -12.605 1.00 0.00 C ATOM 949 NH1 ARG A 58 6.378 -8.377 -12.389 1.00 0.00 N ATOM 950 NH2 ARG A 58 6.493 -10.664 -12.767 1.00 0.00 N ATOM 0 H ARG A 58 1.771 -4.590 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 58 3.766 -6.329 -8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.765 -6.858 -10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.689 -6.179 -11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.536 -7.904 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.030 -8.770 -10.422 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.532 -8.686 -12.821 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.887 -7.615 -13.117 1.00 0.00 H new ATOM 0 HE ARG A 58 3.996 -10.517 -12.824 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.825 -7.529 -12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.396 -8.333 -12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.028 -11.557 -12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.511 -10.619 -12.727 1.00 0.00 H new ATOM 964 N GLN A 59 4.634 -4.138 -11.267 1.00 0.00 N ATOM 965 CA GLN A 59 5.761 -3.529 -11.951 1.00 0.00 C ATOM 966 C GLN A 59 6.793 -3.032 -10.936 1.00 0.00 C ATOM 967 O GLN A 59 7.984 -3.304 -11.073 1.00 0.00 O ATOM 968 CB GLN A 59 5.299 -2.393 -12.865 1.00 0.00 C ATOM 969 CG GLN A 59 5.194 -2.865 -14.317 1.00 0.00 C ATOM 970 CD GLN A 59 5.007 -1.680 -15.266 1.00 0.00 C ATOM 971 OE1 GLN A 59 4.046 -0.932 -15.185 1.00 0.00 O ATOM 972 NE2 GLN A 59 5.975 -1.551 -16.169 1.00 0.00 N ATOM 0 H GLN A 59 3.744 -3.657 -11.400 1.00 0.00 H new ATOM 0 HA GLN A 59 6.233 -4.286 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.331 -2.022 -12.529 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.000 -1.561 -12.799 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.094 -3.416 -14.590 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.355 -3.554 -14.420 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.752 -2.212 -16.182 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.941 -0.791 -16.849 1.00 0.00 H new ATOM 981 N ILE A 60 6.296 -2.312 -9.941 1.00 0.00 N ATOM 982 CA ILE A 60 7.160 -1.775 -8.903 1.00 0.00 C ATOM 983 C ILE A 60 7.893 -2.924 -8.209 1.00 0.00 C ATOM 984 O ILE A 60 9.107 -2.867 -8.021 1.00 0.00 O ATOM 985 CB ILE A 60 6.360 -0.889 -7.946 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.767 0.316 -8.680 1.00 0.00 C ATOM 987 CG2 ILE A 60 7.213 -0.466 -6.748 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.407 0.700 -8.093 1.00 0.00 C ATOM 0 H ILE A 60 5.307 -2.088 -9.831 1.00 0.00 H new ATOM 0 HA ILE A 60 7.922 -1.128 -9.339 1.00 0.00 H new ATOM 0 HB ILE A 60 5.525 -1.473 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.450 1.162 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.657 0.083 -9.739 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.621 0.163 -6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.546 -1.352 -6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.081 0.093 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.007 1.559 -8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.719 -0.140 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.524 0.955 -7.040 1.00 0.00 H new ATOM 1000 N LEU A 61 7.125 -3.941 -7.848 1.00 0.00 N ATOM 1001 CA LEU A 61 7.686 -5.103 -7.179 1.00 0.00 C ATOM 1002 C LEU A 61 8.804 -5.691 -8.041 1.00 0.00 C ATOM 1003 O LEU A 61 9.852 -6.079 -7.525 1.00 0.00 O ATOM 1004 CB LEU A 61 6.584 -6.106 -6.832 1.00 0.00 C ATOM 1005 CG LEU A 61 6.903 -7.089 -5.704 1.00 0.00 C ATOM 1006 CD1 LEU A 61 6.907 -6.384 -4.346 1.00 0.00 C ATOM 1007 CD2 LEU A 61 5.944 -8.281 -5.728 1.00 0.00 C ATOM 0 H LEU A 61 6.118 -3.985 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 61 8.134 -4.816 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.687 -5.550 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.345 -6.678 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 61 7.907 -7.480 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.136 -7.106 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.661 -5.597 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.926 -5.946 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.193 -8.964 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.921 -7.927 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.035 -8.802 -6.681 1.00 0.00 H new ATOM 1019 N GLY A 62 8.544 -5.740 -9.339 1.00 0.00 N ATOM 1020 CA GLY A 62 9.516 -6.275 -10.278 1.00 0.00 C ATOM 1021 C GLY A 62 10.691 -5.312 -10.459 1.00 0.00 C ATOM 1022 O GLY A 62 11.786 -5.727 -10.834 1.00 0.00 O ATOM 0 H GLY A 62 7.674 -5.418 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.882 -7.237 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.037 -6.454 -11.240 1.00 0.00 H new ATOM 1026 N GLN A 63 10.423 -4.044 -10.184 1.00 0.00 N ATOM 1027 CA GLN A 63 11.445 -3.018 -10.311 1.00 0.00 C ATOM 1028 C GLN A 63 12.419 -3.089 -9.133 1.00 0.00 C ATOM 1029 O GLN A 63 13.604 -2.799 -9.285 1.00 0.00 O ATOM 1030 CB GLN A 63 10.816 -1.628 -10.420 1.00 0.00 C ATOM 1031 CG GLN A 63 11.220 -0.943 -11.727 1.00 0.00 C ATOM 1032 CD GLN A 63 10.361 0.296 -11.985 1.00 0.00 C ATOM 1033 OE1 GLN A 63 9.252 0.220 -12.488 1.00 0.00 O ATOM 1034 NE2 GLN A 63 10.933 1.438 -11.614 1.00 0.00 N ATOM 0 H GLN A 63 9.513 -3.703 -9.874 1.00 0.00 H new ATOM 0 HA GLN A 63 12.003 -3.201 -11.229 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.730 -1.712 -10.370 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.128 -1.016 -9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.271 -0.658 -11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.114 -1.642 -12.556 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.865 1.430 -11.199 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.440 2.321 -11.745 1.00 0.00 H new ATOM 1043 N LEU A 64 11.882 -3.477 -7.986 1.00 0.00 N ATOM 1044 CA LEU A 64 12.689 -3.590 -6.783 1.00 0.00 C ATOM 1045 C LEU A 64 13.195 -5.027 -6.646 1.00 0.00 C ATOM 1046 O LEU A 64 14.144 -5.288 -5.908 1.00 0.00 O ATOM 1047 CB LEU A 64 11.906 -3.096 -5.565 1.00 0.00 C ATOM 1048 CG LEU A 64 11.256 -1.717 -5.699 1.00 0.00 C ATOM 1049 CD1 LEU A 64 10.901 -1.142 -4.327 1.00 0.00 C ATOM 1050 CD2 LEU A 64 12.146 -0.768 -6.505 1.00 0.00 C ATOM 0 H LEU A 64 10.898 -3.717 -7.864 1.00 0.00 H new ATOM 0 HA LEU A 64 13.567 -2.948 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.126 -3.823 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.580 -3.076 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 64 10.323 -1.831 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.441 -0.162 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.203 -1.810 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.806 -1.044 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.661 0.205 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.106 -0.654 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.305 -1.178 -7.502 1.00 0.00 H new ATOM 1062 N GLN A 65 12.540 -5.923 -7.370 1.00 0.00 N ATOM 1063 CA GLN A 65 12.912 -7.327 -7.339 1.00 0.00 C ATOM 1064 C GLN A 65 14.434 -7.472 -7.282 1.00 0.00 C ATOM 1065 O GLN A 65 14.964 -8.153 -6.406 1.00 0.00 O ATOM 1066 CB GLN A 65 12.335 -8.074 -8.544 1.00 0.00 C ATOM 1067 CG GLN A 65 11.516 -9.287 -8.096 1.00 0.00 C ATOM 1068 CD GLN A 65 10.030 -9.086 -8.397 1.00 0.00 C ATOM 1069 OE1 GLN A 65 9.310 -8.412 -7.679 1.00 0.00 O ATOM 1070 NE2 GLN A 65 9.612 -9.707 -9.497 1.00 0.00 N ATOM 0 H GLN A 65 11.754 -5.704 -7.982 1.00 0.00 H new ATOM 0 HA GLN A 65 12.490 -7.775 -6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.706 -7.401 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.145 -8.399 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.876 -10.181 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.656 -9.450 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.268 -10.256 -10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.636 -9.634 -9.784 1.00 0.00 H new ATOM 1079 N PRO A 66 15.112 -6.803 -8.253 1.00 0.00 N ATOM 1080 CA PRO A 66 16.562 -6.851 -8.321 1.00 0.00 C ATOM 1081 C PRO A 66 17.191 -5.979 -7.233 1.00 0.00 C ATOM 1082 O PRO A 66 18.184 -6.366 -6.618 1.00 0.00 O ATOM 1083 CB PRO A 66 16.906 -6.386 -9.727 1.00 0.00 C ATOM 1084 CG PRO A 66 15.674 -5.656 -10.237 1.00 0.00 C ATOM 1085 CD PRO A 66 14.518 -5.987 -9.307 1.00 0.00 C ATOM 0 HA PRO A 66 16.958 -7.850 -8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.775 -5.728 -9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 66 17.153 -7.232 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.850 -4.580 -10.260 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.443 -5.963 -11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.066 -5.083 -8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.731 -6.529 -9.831 1.00 0.00 H new ATOM 1093 N SER A 67 16.588 -4.817 -7.027 1.00 0.00 N ATOM 1094 CA SER A 67 17.076 -3.887 -6.024 1.00 0.00 C ATOM 1095 C SER A 67 17.108 -4.565 -4.653 1.00 0.00 C ATOM 1096 O SER A 67 17.773 -4.088 -3.735 1.00 0.00 O ATOM 1097 CB SER A 67 16.210 -2.627 -5.973 1.00 0.00 C ATOM 1098 OG SER A 67 16.224 -1.919 -7.210 1.00 0.00 O ATOM 0 H SER A 67 15.765 -4.499 -7.539 1.00 0.00 H new ATOM 0 HA SER A 67 18.088 -3.589 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.185 -2.901 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.567 -1.973 -5.177 1.00 0.00 H new ATOM 0 HG SER A 67 15.658 -1.122 -7.137 1.00 0.00 H new ATOM 1104 N LEU A 68 16.379 -5.668 -4.557 1.00 0.00 N ATOM 1105 CA LEU A 68 16.315 -6.416 -3.313 1.00 0.00 C ATOM 1106 C LEU A 68 17.640 -7.151 -3.096 1.00 0.00 C ATOM 1107 O LEU A 68 18.134 -7.229 -1.972 1.00 0.00 O ATOM 1108 CB LEU A 68 15.093 -7.337 -3.304 1.00 0.00 C ATOM 1109 CG LEU A 68 13.734 -6.646 -3.181 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.677 -7.359 -4.027 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.310 -6.527 -1.715 1.00 0.00 C ATOM 0 H LEU A 68 15.828 -6.061 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 68 16.183 -5.740 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.098 -7.924 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.198 -8.039 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 68 13.830 -5.633 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.720 -6.847 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.981 -7.348 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.576 -8.390 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.341 -6.032 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.237 -7.522 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.050 -5.942 -1.169 1.00 0.00 H new ATOM 1123 N GLN A 69 18.178 -7.671 -4.190 1.00 0.00 N ATOM 1124 CA GLN A 69 19.435 -8.396 -4.133 1.00 0.00 C ATOM 1125 C GLN A 69 20.390 -7.726 -3.143 1.00 0.00 C ATOM 1126 O GLN A 69 21.052 -8.403 -2.358 1.00 0.00 O ATOM 1127 CB GLN A 69 20.070 -8.502 -5.521 1.00 0.00 C ATOM 1128 CG GLN A 69 21.111 -9.622 -5.563 1.00 0.00 C ATOM 1129 CD GLN A 69 20.980 -10.445 -6.847 1.00 0.00 C ATOM 1130 OE1 GLN A 69 19.912 -10.908 -7.211 1.00 0.00 O ATOM 1131 NE2 GLN A 69 22.123 -10.599 -7.510 1.00 0.00 N ATOM 0 H GLN A 69 17.766 -7.604 -5.121 1.00 0.00 H new ATOM 0 HA GLN A 69 19.232 -9.408 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.297 -8.691 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.540 -7.554 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 69 22.112 -9.195 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.987 -10.271 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 69 22.982 -10.184 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 69 22.140 -11.132 -8.380 1.00 0.00 H new ATOM 1140 N THR A 70 20.432 -6.404 -3.213 1.00 0.00 N ATOM 1141 CA THR A 70 21.295 -5.634 -2.333 1.00 0.00 C ATOM 1142 C THR A 70 20.587 -4.358 -1.873 1.00 0.00 C ATOM 1143 O THR A 70 21.214 -3.309 -1.742 1.00 0.00 O ATOM 1144 CB THR A 70 22.607 -5.368 -3.072 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.366 -4.580 -2.159 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.421 -4.456 -4.286 1.00 0.00 C ATOM 0 H THR A 70 19.882 -5.846 -3.866 1.00 0.00 H new ATOM 0 HA THR A 70 21.525 -6.187 -1.422 1.00 0.00 H new ATOM 0 HB THR A 70 23.041 -6.315 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.932 -3.710 -2.039 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.383 -4.299 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.729 -4.921 -4.988 1.00 0.00 H new ATOM 0 HG23 THR A 70 22.018 -3.496 -3.962 1.00 0.00 H new ATOM 1154 N GLY A 71 19.289 -4.491 -1.641 1.00 0.00 N ATOM 1155 CA GLY A 71 18.489 -3.362 -1.198 1.00 0.00 C ATOM 1156 C GLY A 71 18.622 -3.153 0.312 1.00 0.00 C ATOM 1157 O GLY A 71 19.261 -3.949 0.998 1.00 0.00 O ATOM 0 H GLY A 71 18.772 -5.363 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.805 -2.460 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.443 -3.530 -1.454 1.00 0.00 H new ATOM 1161 N SER A 72 18.008 -2.078 0.785 1.00 0.00 N ATOM 1162 CA SER A 72 18.050 -1.755 2.201 1.00 0.00 C ATOM 1163 C SER A 72 16.872 -2.412 2.922 1.00 0.00 C ATOM 1164 O SER A 72 15.928 -2.874 2.284 1.00 0.00 O ATOM 1165 CB SER A 72 18.031 -0.241 2.421 1.00 0.00 C ATOM 1166 OG SER A 72 16.715 0.296 2.322 1.00 0.00 O ATOM 0 H SER A 72 17.479 -1.420 0.213 1.00 0.00 H new ATOM 0 HA SER A 72 18.982 -2.143 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.443 -0.012 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.675 0.240 1.685 1.00 0.00 H new ATOM 0 HG SER A 72 16.745 1.264 2.470 1.00 0.00 H new ATOM 1172 N GLU A 73 16.965 -2.431 4.244 1.00 0.00 N ATOM 1173 CA GLU A 73 15.918 -3.023 5.059 1.00 0.00 C ATOM 1174 C GLU A 73 14.577 -2.345 4.776 1.00 0.00 C ATOM 1175 O GLU A 73 13.550 -3.013 4.665 1.00 0.00 O ATOM 1176 CB GLU A 73 16.270 -2.943 6.546 1.00 0.00 C ATOM 1177 CG GLU A 73 16.509 -4.337 7.129 1.00 0.00 C ATOM 1178 CD GLU A 73 17.378 -4.265 8.386 1.00 0.00 C ATOM 1179 OE1 GLU A 73 16.995 -3.500 9.298 1.00 0.00 O ATOM 1180 OE2 GLU A 73 18.407 -4.975 8.406 1.00 0.00 O ATOM 0 H GLU A 73 17.749 -2.046 4.771 1.00 0.00 H new ATOM 0 HA GLU A 73 15.832 -4.077 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.162 -2.331 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.462 -2.452 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.553 -4.803 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.993 -4.968 6.384 1.00 0.00 H new ATOM 1187 N GLU A 74 14.629 -1.026 4.666 1.00 0.00 N ATOM 1188 CA GLU A 74 13.430 -0.249 4.397 1.00 0.00 C ATOM 1189 C GLU A 74 12.918 -0.535 2.984 1.00 0.00 C ATOM 1190 O GLU A 74 11.719 -0.722 2.781 1.00 0.00 O ATOM 1191 CB GLU A 74 13.690 1.246 4.594 1.00 0.00 C ATOM 1192 CG GLU A 74 13.688 1.612 6.080 1.00 0.00 C ATOM 1193 CD GLU A 74 15.069 1.391 6.700 1.00 0.00 C ATOM 1194 OE1 GLU A 74 16.014 2.067 6.237 1.00 0.00 O ATOM 1195 OE2 GLU A 74 15.150 0.552 7.623 1.00 0.00 O ATOM 0 H GLU A 74 15.482 -0.475 4.758 1.00 0.00 H new ATOM 0 HA GLU A 74 12.660 -0.547 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.650 1.513 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.927 1.823 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.393 2.654 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.948 1.009 6.606 1.00 0.00 H new ATOM 1202 N LEU A 75 13.852 -0.560 2.045 1.00 0.00 N ATOM 1203 CA LEU A 75 13.510 -0.821 0.657 1.00 0.00 C ATOM 1204 C LEU A 75 12.816 -2.181 0.553 1.00 0.00 C ATOM 1205 O LEU A 75 11.831 -2.326 -0.169 1.00 0.00 O ATOM 1206 CB LEU A 75 14.748 -0.692 -0.233 1.00 0.00 C ATOM 1207 CG LEU A 75 14.571 -1.116 -1.693 1.00 0.00 C ATOM 1208 CD1 LEU A 75 14.381 0.102 -2.598 1.00 0.00 C ATOM 1209 CD2 LEU A 75 15.736 -1.996 -2.153 1.00 0.00 C ATOM 0 H LEU A 75 14.845 -0.404 2.218 1.00 0.00 H new ATOM 0 HA LEU A 75 12.804 -0.075 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.078 0.347 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.549 -1.289 0.204 1.00 0.00 H new ATOM 0 HG LEU A 75 13.664 -1.717 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 75 14.258 -0.227 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.495 0.654 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.255 0.749 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.586 -2.284 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.670 -1.441 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.783 -2.891 -1.532 1.00 0.00 H new ATOM 1221 N ARG A 76 13.358 -3.143 1.285 1.00 0.00 N ATOM 1222 CA ARG A 76 12.804 -4.486 1.285 1.00 0.00 C ATOM 1223 C ARG A 76 11.379 -4.472 1.842 1.00 0.00 C ATOM 1224 O ARG A 76 10.469 -5.044 1.244 1.00 0.00 O ATOM 1225 CB ARG A 76 13.663 -5.436 2.122 1.00 0.00 C ATOM 1226 CG ARG A 76 14.678 -6.173 1.246 1.00 0.00 C ATOM 1227 CD ARG A 76 15.880 -6.636 2.072 1.00 0.00 C ATOM 1228 NE ARG A 76 15.619 -7.978 2.637 1.00 0.00 N ATOM 1229 CZ ARG A 76 15.489 -9.091 1.902 1.00 0.00 C ATOM 1230 NH1 ARG A 76 15.596 -9.028 0.567 1.00 0.00 N ATOM 1231 NH2 ARG A 76 15.253 -10.266 2.500 1.00 0.00 N ATOM 0 H ARG A 76 14.175 -3.019 1.882 1.00 0.00 H new ATOM 0 HA ARG A 76 12.791 -4.840 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.186 -4.873 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.024 -6.158 2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.202 -7.034 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.015 -5.517 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.773 -6.663 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.075 -5.926 2.876 1.00 0.00 H new ATOM 0 HE ARG A 76 15.533 -8.061 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.776 -8.133 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.497 -9.875 0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.172 -10.314 3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.154 -11.113 1.940 1.00 0.00 H new ATOM 1245 N SER A 77 11.230 -3.813 2.982 1.00 0.00 N ATOM 1246 CA SER A 77 9.931 -3.718 3.626 1.00 0.00 C ATOM 1247 C SER A 77 8.920 -3.078 2.674 1.00 0.00 C ATOM 1248 O SER A 77 7.755 -3.471 2.644 1.00 0.00 O ATOM 1249 CB SER A 77 10.019 -2.914 4.925 1.00 0.00 C ATOM 1250 OG SER A 77 10.703 -3.629 5.950 1.00 0.00 O ATOM 0 H SER A 77 11.987 -3.340 3.476 1.00 0.00 H new ATOM 0 HA SER A 77 9.598 -4.726 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.534 -1.972 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.014 -2.665 5.266 1.00 0.00 H new ATOM 0 HG SER A 77 11.668 -3.596 5.783 1.00 0.00 H new ATOM 1256 N LEU A 78 9.402 -2.102 1.918 1.00 0.00 N ATOM 1257 CA LEU A 78 8.555 -1.404 0.966 1.00 0.00 C ATOM 1258 C LEU A 78 8.085 -2.386 -0.109 1.00 0.00 C ATOM 1259 O LEU A 78 6.902 -2.428 -0.441 1.00 0.00 O ATOM 1260 CB LEU A 78 9.277 -0.177 0.406 1.00 0.00 C ATOM 1261 CG LEU A 78 8.552 1.161 0.568 1.00 0.00 C ATOM 1262 CD1 LEU A 78 9.363 2.122 1.438 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.212 1.769 -0.794 1.00 0.00 C ATOM 0 H LEU A 78 10.369 -1.778 1.946 1.00 0.00 H new ATOM 0 HA LEU A 78 7.662 -1.021 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.251 -0.101 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.461 -0.342 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 78 7.609 0.978 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.825 3.065 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.511 1.683 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.332 2.304 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.697 2.719 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.130 1.935 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.566 1.086 -1.346 1.00 0.00 H new ATOM 1275 N TYR A 79 9.037 -3.151 -0.622 1.00 0.00 N ATOM 1276 CA TYR A 79 8.736 -4.130 -1.652 1.00 0.00 C ATOM 1277 C TYR A 79 7.665 -5.114 -1.178 1.00 0.00 C ATOM 1278 O TYR A 79 6.748 -5.449 -1.927 1.00 0.00 O ATOM 1279 CB TYR A 79 10.038 -4.894 -1.902 1.00 0.00 C ATOM 1280 CG TYR A 79 9.844 -6.244 -2.596 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.447 -7.345 -1.864 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.066 -6.360 -3.953 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.265 -8.615 -2.517 1.00 0.00 C ATOM 1284 CE2 TYR A 79 9.884 -7.631 -4.606 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.493 -8.696 -3.856 1.00 0.00 C ATOM 1286 OH TYR A 79 9.321 -9.896 -4.472 1.00 0.00 O ATOM 0 H TYR A 79 10.017 -3.113 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 79 8.360 -3.638 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.699 -4.276 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.541 -5.056 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.273 -7.254 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.376 -5.498 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.954 -9.484 -1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.054 -7.736 -5.667 1.00 0.00 H new ATOM 0 HH TYR A 79 9.518 -9.804 -5.428 1.00 0.00 H new ATOM 1296 N ASN A 80 7.815 -5.549 0.065 1.00 0.00 N ATOM 1297 CA ASN A 80 6.872 -6.488 0.648 1.00 0.00 C ATOM 1298 C ASN A 80 5.489 -5.837 0.719 1.00 0.00 C ATOM 1299 O ASN A 80 4.484 -6.471 0.403 1.00 0.00 O ATOM 1300 CB ASN A 80 7.287 -6.874 2.070 1.00 0.00 C ATOM 1301 CG ASN A 80 8.685 -7.494 2.084 1.00 0.00 C ATOM 1302 OD1 ASN A 80 9.085 -8.208 1.179 1.00 0.00 O ATOM 1303 ND2 ASN A 80 9.405 -7.182 3.158 1.00 0.00 N ATOM 0 H ASN A 80 8.575 -5.268 0.684 1.00 0.00 H new ATOM 0 HA ASN A 80 6.854 -7.381 0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.270 -5.992 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.568 -7.581 2.483 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.352 -7.546 3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.010 -6.579 3.879 1.00 0.00 H new ATOM 1310 N THR A 81 5.483 -4.580 1.137 1.00 0.00 N ATOM 1311 CA THR A 81 4.240 -3.837 1.254 1.00 0.00 C ATOM 1312 C THR A 81 3.554 -3.726 -0.109 1.00 0.00 C ATOM 1313 O THR A 81 2.337 -3.871 -0.210 1.00 0.00 O ATOM 1314 CB THR A 81 4.558 -2.480 1.885 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.358 -2.803 3.019 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.320 -1.807 2.483 1.00 0.00 C ATOM 0 H THR A 81 6.319 -4.057 1.399 1.00 0.00 H new ATOM 0 HA THR A 81 3.530 -4.354 1.899 1.00 0.00 H new ATOM 0 HB THR A 81 5.000 -1.826 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.303 -2.655 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.601 -0.848 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.579 -1.647 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.897 -2.446 3.258 1.00 0.00 H new ATOM 1324 N ILE A 82 4.366 -3.471 -1.125 1.00 0.00 N ATOM 1325 CA ILE A 82 3.853 -3.340 -2.478 1.00 0.00 C ATOM 1326 C ILE A 82 3.251 -4.675 -2.922 1.00 0.00 C ATOM 1327 O ILE A 82 2.199 -4.704 -3.560 1.00 0.00 O ATOM 1328 CB ILE A 82 4.942 -2.815 -3.416 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.454 -1.450 -2.950 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.448 -2.778 -4.863 1.00 0.00 C ATOM 1331 CD1 ILE A 82 6.898 -1.224 -3.402 1.00 0.00 C ATOM 0 H ILE A 82 5.375 -3.352 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 82 3.052 -2.601 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 82 5.785 -3.505 -3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.816 -0.662 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.395 -1.387 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.241 -2.401 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.170 -3.784 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.580 -2.123 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.238 -0.247 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.537 -2.000 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.949 -1.264 -4.490 1.00 0.00 H new ATOM 1343 N ALA A 83 3.943 -5.747 -2.568 1.00 0.00 N ATOM 1344 CA ALA A 83 3.490 -7.082 -2.922 1.00 0.00 C ATOM 1345 C ALA A 83 2.100 -7.318 -2.328 1.00 0.00 C ATOM 1346 O ALA A 83 1.203 -7.806 -3.013 1.00 0.00 O ATOM 1347 CB ALA A 83 4.513 -8.113 -2.440 1.00 0.00 C ATOM 0 H ALA A 83 4.815 -5.719 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 83 3.408 -7.185 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.173 -9.114 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.476 -7.919 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.620 -8.041 -1.358 1.00 0.00 H new ATOM 1353 N VAL A 84 1.965 -6.959 -1.060 1.00 0.00 N ATOM 1354 CA VAL A 84 0.699 -7.126 -0.366 1.00 0.00 C ATOM 1355 C VAL A 84 -0.382 -6.317 -1.085 1.00 0.00 C ATOM 1356 O VAL A 84 -1.499 -6.797 -1.274 1.00 0.00 O ATOM 1357 CB VAL A 84 0.854 -6.740 1.106 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.500 -6.390 1.727 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.548 -7.852 1.895 1.00 0.00 C ATOM 0 H VAL A 84 2.711 -6.553 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 84 0.389 -8.171 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 84 1.484 -5.852 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.361 -6.119 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.940 -5.550 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.165 -7.251 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.645 -7.552 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.956 -8.765 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.538 -8.033 1.476 1.00 0.00 H new ATOM 1369 N LEU A 85 -0.013 -5.104 -1.467 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.937 -4.224 -2.162 1.00 0.00 C ATOM 1371 C LEU A 85 -1.407 -4.900 -3.451 1.00 0.00 C ATOM 1372 O LEU A 85 -2.595 -4.880 -3.770 1.00 0.00 O ATOM 1373 CB LEU A 85 -0.304 -2.849 -2.384 1.00 0.00 C ATOM 1374 CG LEU A 85 -1.236 -1.759 -2.917 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -2.233 -1.317 -1.845 1.00 0.00 C ATOM 1376 CD2 LEU A 85 -0.438 -0.581 -3.479 1.00 0.00 C ATOM 0 H LEU A 85 0.914 -4.709 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.824 -4.046 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.117 -2.508 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.527 -2.962 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.814 -2.178 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.883 -0.542 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.836 -2.170 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.692 -0.923 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.125 0.179 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.184 -0.154 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.196 -0.927 -4.295 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.450 -5.483 -4.159 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.751 -6.164 -5.406 1.00 0.00 C ATOM 1390 C TYR A 86 -1.701 -7.341 -5.174 1.00 0.00 C ATOM 1391 O TYR A 86 -2.585 -7.599 -5.988 1.00 0.00 O ATOM 1392 CB TYR A 86 0.585 -6.698 -5.928 1.00 0.00 C ATOM 1393 CG TYR A 86 0.446 -7.807 -6.972 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.300 -9.119 -6.570 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.467 -7.496 -8.317 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.170 -10.164 -7.553 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.337 -8.540 -9.300 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.195 -9.823 -8.869 1.00 0.00 C ATOM 1399 OH TYR A 86 0.072 -10.809 -9.797 1.00 0.00 O ATOM 0 H TYR A 86 0.534 -5.497 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.233 -5.483 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.150 -5.873 -6.362 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.167 -7.075 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.283 -9.362 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.581 -6.469 -8.632 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.055 -11.195 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.352 -8.310 -10.355 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.843 -10.817 -10.147 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.485 -8.022 -4.058 1.00 0.00 N ATOM 1410 CA CYS A 87 -2.311 -9.165 -3.708 1.00 0.00 C ATOM 1411 C CYS A 87 -3.751 -8.680 -3.530 1.00 0.00 C ATOM 1412 O CYS A 87 -4.687 -9.312 -4.018 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.790 -9.877 -2.458 1.00 0.00 C ATOM 1414 SG CYS A 87 -0.586 -11.172 -2.931 1.00 0.00 S ATOM 0 H CYS A 87 -0.750 -7.804 -3.385 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.274 -9.903 -4.509 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.318 -9.157 -1.789 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.620 -10.323 -1.911 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.148 -11.769 -1.862 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.884 -7.563 -2.830 1.00 0.00 N ATOM 1421 CA VAL A 88 -5.195 -6.987 -2.582 1.00 0.00 C ATOM 1422 C VAL A 88 -5.808 -6.535 -3.909 1.00 0.00 C ATOM 1423 O VAL A 88 -7.024 -6.589 -4.085 1.00 0.00 O ATOM 1424 CB VAL A 88 -5.083 -5.855 -1.559 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -6.450 -5.526 -0.954 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -4.070 -6.201 -0.466 1.00 0.00 C ATOM 0 H VAL A 88 -3.106 -7.041 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.865 -7.732 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.724 -4.968 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.343 -4.718 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.133 -5.216 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.849 -6.409 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.010 -5.379 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.387 -7.107 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.090 -6.363 -0.916 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.938 -6.100 -4.808 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.378 -5.639 -6.114 1.00 0.00 C ATOM 1438 C HIS A 89 -5.950 -6.815 -6.908 1.00 0.00 C ATOM 1439 O HIS A 89 -6.927 -6.659 -7.638 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.243 -4.923 -6.849 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.903 -3.566 -6.281 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.795 -2.823 -5.528 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.759 -2.827 -6.362 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -4.206 -1.689 -5.179 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -2.944 -1.693 -5.697 1.00 0.00 N ATOM 0 H HIS A 89 -3.930 -6.057 -4.658 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.175 -4.905 -5.994 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.352 -5.551 -6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.518 -4.808 -7.897 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.856 -3.116 -6.879 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.647 -0.900 -4.588 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.256 -0.948 -5.591 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.315 -7.966 -6.738 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.748 -9.168 -7.429 1.00 0.00 C ATOM 1456 C GLN A 90 -6.790 -9.916 -6.593 1.00 0.00 C ATOM 1457 O GLN A 90 -7.356 -10.909 -7.045 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.558 -10.071 -7.757 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.575 -10.490 -9.228 1.00 0.00 C ATOM 1460 CD GLN A 90 -3.494 -9.752 -10.021 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -2.347 -9.659 -9.617 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -3.923 -9.236 -11.169 1.00 0.00 N ATOM 0 H GLN A 90 -4.504 -8.091 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.210 -8.874 -8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.628 -9.547 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.584 -10.957 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.417 -11.566 -9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.554 -10.280 -9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.898 -9.351 -11.447 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.277 -8.725 -11.771 1.00 0.00 H new ATOM 1471 N ARG A 91 -7.010 -9.408 -5.389 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.973 -10.015 -4.486 1.00 0.00 C ATOM 1473 C ARG A 91 -7.413 -11.319 -3.912 1.00 0.00 C ATOM 1474 O ARG A 91 -8.047 -12.368 -4.015 1.00 0.00 O ATOM 1475 CB ARG A 91 -9.292 -10.307 -5.203 1.00 0.00 C ATOM 1476 CG ARG A 91 -10.487 -10.001 -4.298 1.00 0.00 C ATOM 1477 CD ARG A 91 -11.805 -10.353 -4.991 1.00 0.00 C ATOM 1478 NE ARG A 91 -12.286 -9.196 -5.780 1.00 0.00 N ATOM 1479 CZ ARG A 91 -13.357 -9.230 -6.585 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -14.064 -10.361 -6.713 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -13.720 -8.132 -7.262 1.00 0.00 N ATOM 0 H ARG A 91 -6.538 -8.583 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.161 -9.309 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.357 -9.708 -6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.321 -11.353 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.398 -10.565 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.484 -8.944 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.664 -11.215 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.552 -10.634 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.770 -8.319 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.787 -11.197 -6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.879 -10.386 -7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.181 -7.271 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.535 -8.157 -7.875 1.00 0.00 H new ATOM 1495 N ILE A 92 -6.233 -11.209 -3.321 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.582 -12.366 -2.730 1.00 0.00 C ATOM 1497 C ILE A 92 -5.590 -12.228 -1.207 1.00 0.00 C ATOM 1498 O ILE A 92 -5.240 -11.177 -0.673 1.00 0.00 O ATOM 1499 CB ILE A 92 -4.184 -12.554 -3.323 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.235 -12.578 -4.852 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.510 -13.804 -2.752 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -5.270 -13.589 -5.350 1.00 0.00 C ATOM 0 H ILE A 92 -5.711 -10.337 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.131 -13.276 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.573 -11.698 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.482 -11.585 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.252 -12.833 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.518 -13.915 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.420 -13.707 -1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.111 -14.682 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.286 -13.586 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.007 -14.585 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.255 -13.317 -4.972 1.00 0.00 H new ATOM 1514 N ASP A 93 -5.994 -13.306 -0.549 1.00 0.00 N ATOM 1515 CA ASP A 93 -6.053 -13.318 0.903 1.00 0.00 C ATOM 1516 C ASP A 93 -4.633 -13.414 1.465 1.00 0.00 C ATOM 1517 O ASP A 93 -3.768 -14.056 0.871 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.846 -14.524 1.411 1.00 0.00 C ATOM 1519 CG ASP A 93 -6.519 -15.850 0.722 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -6.887 -15.978 -0.465 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -5.908 -16.706 1.398 1.00 0.00 O ATOM 0 H ASP A 93 -6.283 -14.177 -0.995 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.543 -12.401 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.666 -14.634 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.909 -14.319 1.286 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.438 -12.767 2.605 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.138 -12.772 3.254 1.00 0.00 C ATOM 1528 C VAL A 94 -3.330 -12.721 4.771 1.00 0.00 C ATOM 1529 O VAL A 94 -4.443 -12.512 5.253 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.283 -11.620 2.722 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.445 -12.069 1.522 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.151 -10.413 2.364 1.00 0.00 C ATOM 0 H VAL A 94 -5.158 -12.236 3.095 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.600 -13.692 3.024 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.599 -11.316 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.846 -11.232 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.786 -12.884 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.105 -12.412 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.519 -9.609 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.871 -10.697 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.683 -10.072 3.252 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.230 -12.917 5.482 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.263 -12.896 6.935 1.00 0.00 C ATOM 1544 C LYS A 95 -1.049 -12.126 7.458 1.00 0.00 C ATOM 1545 O LYS A 95 -1.182 -11.269 8.330 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.375 -14.318 7.488 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.649 -14.485 8.319 1.00 0.00 C ATOM 1548 CD LYS A 95 -4.739 -15.196 7.514 1.00 0.00 C ATOM 1549 CE LYS A 95 -4.881 -16.655 7.953 1.00 0.00 C ATOM 1550 NZ LYS A 95 -4.240 -17.557 6.970 1.00 0.00 N ATOM 0 H LYS A 95 -1.309 -13.091 5.079 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.150 -12.370 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.377 -15.033 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.503 -14.542 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.427 -15.056 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.008 -13.508 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.689 -14.679 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.498 -15.154 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.424 -16.792 8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.936 -16.909 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.346 -18.543 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.694 -17.438 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.229 -17.325 6.893 1.00 0.00 H new ATOM 1564 N ASP A 96 0.107 -12.460 6.904 1.00 0.00 N ATOM 1565 CA ASP A 96 1.344 -11.810 7.303 1.00 0.00 C ATOM 1566 C ASP A 96 2.132 -11.412 6.054 1.00 0.00 C ATOM 1567 O ASP A 96 1.890 -11.938 4.969 1.00 0.00 O ATOM 1568 CB ASP A 96 2.218 -12.753 8.133 1.00 0.00 C ATOM 1569 CG ASP A 96 1.946 -14.243 7.919 1.00 0.00 C ATOM 1570 OD1 ASP A 96 1.024 -14.754 8.591 1.00 0.00 O ATOM 1571 OD2 ASP A 96 2.665 -14.838 7.088 1.00 0.00 O ATOM 0 H ASP A 96 0.213 -13.172 6.182 1.00 0.00 H new ATOM 0 HA ASP A 96 1.088 -10.935 7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.264 -12.553 7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.076 -12.521 9.188 1.00 0.00 H new ATOM 1576 N THR A 97 3.059 -10.485 6.249 1.00 0.00 N ATOM 1577 CA THR A 97 3.884 -10.010 5.152 1.00 0.00 C ATOM 1578 C THR A 97 4.682 -11.166 4.545 1.00 0.00 C ATOM 1579 O THR A 97 4.960 -11.170 3.347 1.00 0.00 O ATOM 1580 CB THR A 97 4.765 -8.876 5.680 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.313 -8.285 4.504 1.00 0.00 O ATOM 1582 CG2 THR A 97 5.988 -9.390 6.443 1.00 0.00 C ATOM 0 H THR A 97 3.257 -10.051 7.150 1.00 0.00 H new ATOM 0 HA THR A 97 3.273 -9.616 4.340 1.00 0.00 H new ATOM 0 HB THR A 97 4.175 -8.232 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.748 -7.536 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.579 -8.544 6.796 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.661 -9.985 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.597 -10.007 5.782 1.00 0.00 H new ATOM 1590 N LYS A 98 5.026 -12.118 5.399 1.00 0.00 N ATOM 1591 CA LYS A 98 5.786 -13.277 4.961 1.00 0.00 C ATOM 1592 C LYS A 98 4.899 -14.160 4.082 1.00 0.00 C ATOM 1593 O LYS A 98 5.330 -14.625 3.028 1.00 0.00 O ATOM 1594 CB LYS A 98 6.385 -14.010 6.163 1.00 0.00 C ATOM 1595 CG LYS A 98 7.627 -14.806 5.757 1.00 0.00 C ATOM 1596 CD LYS A 98 8.904 -14.015 6.046 1.00 0.00 C ATOM 1597 CE LYS A 98 9.967 -14.907 6.689 1.00 0.00 C ATOM 1598 NZ LYS A 98 10.578 -14.228 7.854 1.00 0.00 N ATOM 0 H LYS A 98 4.793 -12.111 6.392 1.00 0.00 H new ATOM 0 HA LYS A 98 6.634 -12.968 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.647 -13.290 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.641 -14.683 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.650 -15.752 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.577 -15.048 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.291 -13.592 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.677 -13.179 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.518 -15.849 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.737 -15.150 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.297 -14.847 8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.024 -13.341 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.842 -14.018 8.559 1.00 0.00 H new ATOM 1612 N GLU A 99 3.675 -14.365 4.548 1.00 0.00 N ATOM 1613 CA GLU A 99 2.724 -15.185 3.817 1.00 0.00 C ATOM 1614 C GLU A 99 2.502 -14.617 2.414 1.00 0.00 C ATOM 1615 O GLU A 99 2.546 -15.352 1.428 1.00 0.00 O ATOM 1616 CB GLU A 99 1.401 -15.300 4.577 1.00 0.00 C ATOM 1617 CG GLU A 99 0.333 -15.980 3.719 1.00 0.00 C ATOM 1618 CD GLU A 99 0.667 -17.457 3.497 1.00 0.00 C ATOM 1619 OE1 GLU A 99 1.517 -17.720 2.620 1.00 0.00 O ATOM 1620 OE2 GLU A 99 0.063 -18.289 4.209 1.00 0.00 O ATOM 0 H GLU A 99 3.321 -13.977 5.422 1.00 0.00 H new ATOM 0 HA GLU A 99 3.138 -16.189 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.553 -15.869 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.059 -14.308 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.639 -15.892 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.256 -15.472 2.758 1.00 0.00 H new ATOM 1627 N ALA A 100 2.269 -13.313 2.368 1.00 0.00 N ATOM 1628 CA ALA A 100 2.040 -12.638 1.102 1.00 0.00 C ATOM 1629 C ALA A 100 3.301 -12.737 0.241 1.00 0.00 C ATOM 1630 O ALA A 100 3.216 -12.920 -0.973 1.00 0.00 O ATOM 1631 CB ALA A 100 1.624 -11.189 1.363 1.00 0.00 C ATOM 0 H ALA A 100 2.234 -12.706 3.187 1.00 0.00 H new ATOM 0 HA ALA A 100 1.228 -13.116 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.452 -10.683 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.707 -11.174 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.415 -10.676 1.909 1.00 0.00 H new ATOM 1637 N LEU A 101 4.442 -12.612 0.903 1.00 0.00 N ATOM 1638 CA LEU A 101 5.719 -12.684 0.213 1.00 0.00 C ATOM 1639 C LEU A 101 5.884 -14.076 -0.399 1.00 0.00 C ATOM 1640 O LEU A 101 6.369 -14.211 -1.522 1.00 0.00 O ATOM 1641 CB LEU A 101 6.859 -12.287 1.154 1.00 0.00 C ATOM 1642 CG LEU A 101 7.467 -10.902 0.922 1.00 0.00 C ATOM 1643 CD1 LEU A 101 8.634 -10.974 -0.064 1.00 0.00 C ATOM 1644 CD2 LEU A 101 6.399 -9.902 0.475 1.00 0.00 C ATOM 0 H LEU A 101 4.509 -12.461 1.910 1.00 0.00 H new ATOM 0 HA LEU A 101 5.750 -11.968 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.491 -12.334 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.652 -13.030 1.066 1.00 0.00 H new ATOM 0 HG LEU A 101 7.868 -10.542 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.048 -9.976 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.406 -11.632 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.281 -11.365 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.858 -8.926 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.946 -10.245 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.631 -9.822 1.244 1.00 0.00 H new ATOM 1656 N ASP A 102 5.473 -15.077 0.365 1.00 0.00 N ATOM 1657 CA ASP A 102 5.569 -16.454 -0.088 1.00 0.00 C ATOM 1658 C ASP A 102 4.545 -16.693 -1.200 1.00 0.00 C ATOM 1659 O ASP A 102 4.805 -17.448 -2.136 1.00 0.00 O ATOM 1660 CB ASP A 102 5.269 -17.431 1.050 1.00 0.00 C ATOM 1661 CG ASP A 102 5.598 -18.895 0.749 1.00 0.00 C ATOM 1662 OD1 ASP A 102 6.628 -19.118 0.077 1.00 0.00 O ATOM 1663 OD2 ASP A 102 4.813 -19.757 1.198 1.00 0.00 O ATOM 0 H ASP A 102 5.072 -14.962 1.296 1.00 0.00 H new ATOM 0 HA ASP A 102 6.585 -16.621 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.831 -17.122 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.211 -17.357 1.303 1.00 0.00 H new ATOM 1668 N LYS A 103 3.403 -16.037 -1.059 1.00 0.00 N ATOM 1669 CA LYS A 103 2.339 -16.169 -2.039 1.00 0.00 C ATOM 1670 C LYS A 103 2.825 -15.636 -3.389 1.00 0.00 C ATOM 1671 O LYS A 103 2.673 -16.299 -4.413 1.00 0.00 O ATOM 1672 CB LYS A 103 1.060 -15.495 -1.536 1.00 0.00 C ATOM 1673 CG LYS A 103 -0.153 -15.943 -2.354 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.324 -15.074 -3.602 1.00 0.00 C ATOM 1675 CE LYS A 103 -1.348 -15.686 -4.560 1.00 0.00 C ATOM 1676 NZ LYS A 103 -0.699 -16.673 -5.451 1.00 0.00 N ATOM 0 H LYS A 103 3.191 -15.412 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 103 2.083 -17.219 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.905 -15.739 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.166 -14.412 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.034 -16.986 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.052 -15.885 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.645 -14.074 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.635 -14.967 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.144 -16.168 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.813 -14.900 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.408 -17.079 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.044 -16.203 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.276 -17.432 -4.879 1.00 0.00 H new ATOM 1690 N ILE A 104 3.399 -14.443 -3.345 1.00 0.00 N ATOM 1691 CA ILE A 104 3.908 -13.813 -4.551 1.00 0.00 C ATOM 1692 C ILE A 104 5.150 -14.567 -5.030 1.00 0.00 C ATOM 1693 O ILE A 104 5.360 -14.726 -6.232 1.00 0.00 O ATOM 1694 CB ILE A 104 4.148 -12.320 -4.316 1.00 0.00 C ATOM 1695 CG1 ILE A 104 2.827 -11.548 -4.303 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.132 -11.754 -5.342 1.00 0.00 C ATOM 1697 CD1 ILE A 104 3.073 -10.043 -4.178 1.00 0.00 C ATOM 0 H ILE A 104 3.523 -13.896 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 104 3.170 -13.872 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 104 4.603 -12.198 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.272 -11.755 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.210 -11.890 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.285 -10.692 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.084 -12.278 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.729 -11.889 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.118 -9.518 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.607 -9.837 -3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.670 -9.700 -5.023 1.00 0.00 H new ATOM 1709 N GLU A 105 5.942 -15.012 -4.065 1.00 0.00 N ATOM 1710 CA GLU A 105 7.158 -15.745 -4.373 1.00 0.00 C ATOM 1711 C GLU A 105 6.822 -17.045 -5.106 1.00 0.00 C ATOM 1712 O GLU A 105 7.520 -17.433 -6.042 1.00 0.00 O ATOM 1713 CB GLU A 105 7.966 -16.025 -3.104 1.00 0.00 C ATOM 1714 CG GLU A 105 9.284 -16.726 -3.437 1.00 0.00 C ATOM 1715 CD GLU A 105 10.239 -16.694 -2.242 1.00 0.00 C ATOM 1716 OE1 GLU A 105 9.898 -17.336 -1.225 1.00 0.00 O ATOM 1717 OE2 GLU A 105 11.289 -16.027 -2.372 1.00 0.00 O ATOM 0 H GLU A 105 5.765 -14.879 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 105 7.774 -15.129 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.169 -15.089 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.381 -16.646 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.088 -17.759 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.752 -16.241 -4.294 1.00 0.00 H new