USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 69 TYR OH : rot 180:sc= -0.167 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.182 X(o=-0.35,f=-0.37) USER MOD Set 2.1: A 46 SER OG : rot -15:sc= 0.0683 USER MOD Set 2.2: A 84 CYS SG : rot 180:sc= 0.0711 USER MOD Single : A 14 HIS : no HD1:sc= -1.76! K(o=-1.8!,f=-0.63) USER MOD Single : A 17 HIS : no HE2:sc= 0.057 X(o=0.057,f=-0.28) USER MOD Single : A 24 HIS : no HD1:sc= -0.0451 X(o=-0.045,f=-0.26) USER MOD Single : A 26 MET CE :methyl -151:sc= -1.15 (180deg=-2.24) USER MOD Single : A 31 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -151:sc= -0.156 (180deg=-0.781) USER MOD Single : A 38 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.6!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00193 USER MOD Single : A 49 THR OG1 : rot -60:sc= -1.22 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -58:sc= 0.0264 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -127:sc= 0.67 (180deg=0.00486) USER MOD Single : A 88 MET CE :methyl -158:sc= -0.0943 (180deg=-0.584) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.826 6.097 -4.651 1.00 0.00 N ATOM 98 CA VAL A 10 -1.591 5.449 -3.592 1.00 0.00 C ATOM 99 C VAL A 10 -2.202 4.140 -4.078 1.00 0.00 C ATOM 100 O VAL A 10 -2.922 4.111 -5.078 1.00 0.00 O ATOM 101 CB VAL A 10 -2.715 6.365 -3.070 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.510 6.948 -4.229 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.624 5.603 -2.119 1.00 0.00 C ATOM 0 HA VAL A 10 -0.894 5.242 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.262 7.190 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.299 7.592 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.847 7.531 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.954 6.139 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.412 6.265 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.071 4.757 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.042 5.239 -1.272 1.00 0.00 H new ATOM 113 N LEU A 11 -1.913 3.058 -3.364 1.00 0.00 N ATOM 114 CA LEU A 11 -2.434 1.743 -3.722 1.00 0.00 C ATOM 115 C LEU A 11 -3.436 1.253 -2.681 1.00 0.00 C ATOM 116 O LEU A 11 -3.066 0.936 -1.551 1.00 0.00 O ATOM 117 CB LEU A 11 -1.289 0.738 -3.857 1.00 0.00 C ATOM 118 CG LEU A 11 -1.685 -0.739 -3.826 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.493 -1.101 -5.062 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.450 -1.620 -3.717 1.00 0.00 C ATOM 0 H LEU A 11 -1.321 3.065 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.946 1.831 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.768 0.934 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.576 0.919 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.307 -0.910 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.766 -2.156 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.397 -0.493 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.896 -0.914 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.751 -2.667 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.198 -1.446 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.089 -1.379 -2.801 1.00 0.00 H new ATOM 132 N ASP A 12 -4.704 1.192 -3.071 1.00 0.00 N ATOM 133 CA ASP A 12 -5.760 0.738 -2.173 1.00 0.00 C ATOM 134 C ASP A 12 -5.887 -0.782 -2.211 1.00 0.00 C ATOM 135 O ASP A 12 -5.976 -1.382 -3.282 1.00 0.00 O ATOM 136 CB ASP A 12 -7.094 1.384 -2.551 1.00 0.00 C ATOM 137 CG ASP A 12 -8.278 0.679 -1.919 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.514 0.885 -0.710 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.967 -0.079 -2.632 1.00 0.00 O ATOM 0 H ASP A 12 -5.026 1.451 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.496 1.038 -1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.089 2.429 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.205 1.374 -3.635 1.00 0.00 H new ATOM 144 N LEU A 13 -5.895 -1.399 -1.034 1.00 0.00 N ATOM 145 CA LEU A 13 -6.011 -2.849 -0.931 1.00 0.00 C ATOM 146 C LEU A 13 -7.366 -3.248 -0.354 1.00 0.00 C ATOM 147 O LEU A 13 -7.726 -4.425 -0.344 1.00 0.00 O ATOM 148 CB LEU A 13 -4.887 -3.410 -0.058 1.00 0.00 C ATOM 149 CG LEU A 13 -3.467 -2.999 -0.447 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.474 -3.432 0.620 1.00 0.00 C ATOM 151 CD2 LEU A 13 -3.091 -3.590 -1.798 1.00 0.00 C ATOM 0 H LEU A 13 -5.823 -0.917 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.927 -3.267 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.064 -3.100 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.947 -4.498 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.434 -1.912 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.469 -3.131 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.731 -2.961 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.510 -4.516 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.077 -3.287 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.142 -4.678 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.784 -3.230 -2.558 1.00 0.00 H new ATOM 163 N HIS A 14 -8.114 -2.258 0.124 1.00 0.00 N ATOM 164 CA HIS A 14 -9.431 -2.505 0.701 1.00 0.00 C ATOM 165 C HIS A 14 -10.304 -3.304 -0.262 1.00 0.00 C ATOM 166 O HIS A 14 -10.624 -2.840 -1.356 1.00 0.00 O ATOM 167 CB HIS A 14 -10.114 -1.183 1.051 1.00 0.00 C ATOM 168 CG HIS A 14 -11.505 -1.349 1.580 1.00 0.00 C ATOM 169 ND1 HIS A 14 -11.904 -0.871 2.810 1.00 0.00 N ATOM 170 CD2 HIS A 14 -12.593 -1.944 1.038 1.00 0.00 C ATOM 171 CE1 HIS A 14 -13.178 -1.166 3.003 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.619 -1.816 1.941 1.00 0.00 N ATOM 0 H HIS A 14 -7.831 -1.278 0.123 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.298 -3.088 1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.512 -0.658 1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.145 -0.553 0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.644 -2.429 0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.759 -0.918 3.879 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.568 -2.166 1.813 1.00 0.00 H new ATOM 180 N GLY A 15 -10.687 -4.508 0.152 1.00 0.00 N ATOM 181 CA GLY A 15 -11.519 -5.351 -0.686 1.00 0.00 C ATOM 182 C GLY A 15 -10.793 -6.595 -1.158 1.00 0.00 C ATOM 183 O GLY A 15 -11.373 -7.681 -1.205 1.00 0.00 O ATOM 0 H GLY A 15 -10.436 -4.915 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.411 -5.643 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.855 -4.780 -1.551 1.00 0.00 H new ATOM 187 N LEU A 16 -9.522 -6.439 -1.511 1.00 0.00 N ATOM 188 CA LEU A 16 -8.716 -7.559 -1.985 1.00 0.00 C ATOM 189 C LEU A 16 -8.433 -8.542 -0.853 1.00 0.00 C ATOM 190 O LEU A 16 -8.625 -8.226 0.321 1.00 0.00 O ATOM 191 CB LEU A 16 -7.400 -7.051 -2.576 1.00 0.00 C ATOM 192 CG LEU A 16 -7.442 -6.632 -4.046 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.283 -5.701 -4.369 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.413 -7.855 -4.950 1.00 0.00 C ATOM 0 H LEU A 16 -9.027 -5.548 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.279 -8.078 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.065 -6.198 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.648 -7.832 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.374 -6.095 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.329 -5.413 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.348 -4.809 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.340 -6.212 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.444 -7.538 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.498 -8.420 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.276 -8.485 -4.737 1.00 0.00 H new ATOM 206 N HIS A 17 -7.972 -9.735 -1.215 1.00 0.00 N ATOM 207 CA HIS A 17 -7.659 -10.765 -0.230 1.00 0.00 C ATOM 208 C HIS A 17 -6.228 -10.614 0.277 1.00 0.00 C ATOM 209 O HIS A 17 -5.332 -10.219 -0.470 1.00 0.00 O ATOM 210 CB HIS A 17 -7.855 -12.155 -0.835 1.00 0.00 C ATOM 211 CG HIS A 17 -7.960 -13.244 0.188 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.162 -14.368 0.176 1.00 0.00 N ATOM 213 CD2 HIS A 17 -8.775 -13.375 1.261 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.482 -15.145 1.195 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.459 -14.565 1.870 1.00 0.00 N ATOM 0 H HIS A 17 -7.807 -10.013 -2.183 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.339 -10.646 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.758 -12.153 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.021 -12.373 -1.502 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -6.437 -14.568 -0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.533 -12.674 1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.023 -16.093 1.436 1.00 0.00 H new ATOM 223 N VAL A 18 -6.020 -10.931 1.551 1.00 0.00 N ATOM 224 CA VAL A 18 -4.698 -10.832 2.157 1.00 0.00 C ATOM 225 C VAL A 18 -3.606 -11.198 1.159 1.00 0.00 C ATOM 226 O VAL A 18 -2.727 -10.389 0.860 1.00 0.00 O ATOM 227 CB VAL A 18 -4.577 -11.745 3.392 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.143 -11.771 3.898 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.530 -11.289 4.487 1.00 0.00 C ATOM 0 H VAL A 18 -6.750 -11.259 2.183 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.569 -9.795 2.467 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.853 -12.759 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.077 -12.421 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.487 -12.149 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.836 -10.762 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.431 -11.945 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.288 -10.267 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.555 -11.328 4.117 1.00 0.00 H new ATOM 239 N ASP A 19 -3.668 -12.422 0.646 1.00 0.00 N ATOM 240 CA ASP A 19 -2.685 -12.896 -0.322 1.00 0.00 C ATOM 241 C ASP A 19 -2.514 -11.893 -1.458 1.00 0.00 C ATOM 242 O ASP A 19 -1.397 -11.629 -1.902 1.00 0.00 O ATOM 243 CB ASP A 19 -3.105 -14.255 -0.883 1.00 0.00 C ATOM 244 CG ASP A 19 -4.040 -14.127 -2.070 1.00 0.00 C ATOM 245 OD1 ASP A 19 -5.080 -13.449 -1.934 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.733 -14.706 -3.133 1.00 0.00 O ATOM 0 H ASP A 19 -4.388 -13.104 0.884 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.729 -13.003 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.217 -14.812 -1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.595 -14.833 -0.099 1.00 0.00 H new ATOM 251 N GLU A 20 -3.628 -11.339 -1.925 1.00 0.00 N ATOM 252 CA GLU A 20 -3.600 -10.366 -3.011 1.00 0.00 C ATOM 253 C GLU A 20 -2.933 -9.069 -2.563 1.00 0.00 C ATOM 254 O GLU A 20 -1.922 -8.652 -3.127 1.00 0.00 O ATOM 255 CB GLU A 20 -5.020 -10.079 -3.505 1.00 0.00 C ATOM 256 CG GLU A 20 -5.488 -11.025 -4.597 1.00 0.00 C ATOM 257 CD GLU A 20 -5.091 -10.557 -5.984 1.00 0.00 C ATOM 258 OE1 GLU A 20 -5.732 -9.618 -6.500 1.00 0.00 O ATOM 259 OE2 GLU A 20 -4.138 -11.131 -6.553 1.00 0.00 O ATOM 0 H GLU A 20 -4.561 -11.547 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.017 -10.789 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.708 -10.142 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.066 -9.056 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.070 -12.016 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.572 -11.123 -4.547 1.00 0.00 H new ATOM 266 N ALA A 21 -3.508 -8.436 -1.546 1.00 0.00 N ATOM 267 CA ALA A 21 -2.969 -7.188 -1.021 1.00 0.00 C ATOM 268 C ALA A 21 -1.464 -7.291 -0.794 1.00 0.00 C ATOM 269 O ALA A 21 -0.704 -6.407 -1.192 1.00 0.00 O ATOM 270 CB ALA A 21 -3.675 -6.811 0.273 1.00 0.00 C ATOM 0 H ALA A 21 -4.347 -8.767 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.146 -6.406 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.262 -5.877 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.741 -6.686 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.528 -7.600 1.011 1.00 0.00 H new ATOM 276 N LEU A 22 -1.041 -8.374 -0.153 1.00 0.00 N ATOM 277 CA LEU A 22 0.374 -8.593 0.127 1.00 0.00 C ATOM 278 C LEU A 22 1.189 -8.607 -1.162 1.00 0.00 C ATOM 279 O LEU A 22 2.101 -7.800 -1.340 1.00 0.00 O ATOM 280 CB LEU A 22 0.567 -9.911 0.880 1.00 0.00 C ATOM 281 CG LEU A 22 0.445 -9.838 2.403 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.486 -11.232 3.009 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.549 -8.968 2.985 1.00 0.00 C ATOM 0 H LEU A 22 -1.657 -9.114 0.183 1.00 0.00 H new ATOM 0 HA LEU A 22 0.727 -7.771 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.166 -10.628 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.552 -10.307 0.633 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.515 -9.385 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.398 -11.160 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.341 -11.824 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.430 -11.713 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.447 -8.927 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.520 -9.392 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.473 -7.961 2.575 1.00 0.00 H new ATOM 295 N GLU A 23 0.852 -9.528 -2.059 1.00 0.00 N ATOM 296 CA GLU A 23 1.552 -9.645 -3.333 1.00 0.00 C ATOM 297 C GLU A 23 1.606 -8.299 -4.050 1.00 0.00 C ATOM 298 O GLU A 23 2.627 -7.935 -4.635 1.00 0.00 O ATOM 299 CB GLU A 23 0.866 -10.683 -4.224 1.00 0.00 C ATOM 300 CG GLU A 23 1.194 -12.119 -3.850 1.00 0.00 C ATOM 301 CD GLU A 23 0.435 -13.128 -4.690 1.00 0.00 C ATOM 302 OE1 GLU A 23 -0.775 -13.314 -4.445 1.00 0.00 O ATOM 303 OE2 GLU A 23 1.053 -13.732 -5.592 1.00 0.00 O ATOM 0 H GLU A 23 0.099 -10.204 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 23 2.572 -9.970 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.213 -10.540 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.158 -10.510 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.265 -12.286 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.960 -12.279 -2.797 1.00 0.00 H new ATOM 310 N HIS A 24 0.499 -7.565 -4.001 1.00 0.00 N ATOM 311 CA HIS A 24 0.420 -6.259 -4.645 1.00 0.00 C ATOM 312 C HIS A 24 1.293 -5.240 -3.919 1.00 0.00 C ATOM 313 O HIS A 24 1.796 -4.294 -4.526 1.00 0.00 O ATOM 314 CB HIS A 24 -1.029 -5.771 -4.681 1.00 0.00 C ATOM 315 CG HIS A 24 -1.785 -6.228 -5.891 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.341 -6.018 -7.179 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.961 -6.889 -6.003 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.212 -6.528 -8.032 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.204 -7.063 -7.343 1.00 0.00 N ATOM 0 H HIS A 24 -0.355 -7.852 -3.523 1.00 0.00 H new ATOM 0 HA HIS A 24 0.787 -6.363 -5.666 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.544 -6.122 -3.787 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.038 -4.682 -4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.591 -7.218 -5.190 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.127 -6.510 -9.109 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.019 -7.530 -7.742 1.00 0.00 H new ATOM 327 N LEU A 25 1.469 -5.440 -2.618 1.00 0.00 N ATOM 328 CA LEU A 25 2.282 -4.539 -1.808 1.00 0.00 C ATOM 329 C LEU A 25 3.765 -4.723 -2.111 1.00 0.00 C ATOM 330 O LEU A 25 4.542 -3.770 -2.060 1.00 0.00 O ATOM 331 CB LEU A 25 2.019 -4.781 -0.321 1.00 0.00 C ATOM 332 CG LEU A 25 2.957 -4.066 0.652 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.416 -2.688 1.000 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.155 -4.897 1.911 1.00 0.00 C ATOM 0 H LEU A 25 1.060 -6.218 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 25 2.004 -3.515 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.996 -4.476 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.080 -5.853 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 25 3.925 -3.942 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.097 -2.194 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.328 -2.092 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.435 -2.789 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.825 -4.372 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.193 -5.054 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.589 -5.861 1.646 1.00 0.00 H new ATOM 346 N MET A 26 4.151 -5.955 -2.427 1.00 0.00 N ATOM 347 CA MET A 26 5.541 -6.264 -2.742 1.00 0.00 C ATOM 348 C MET A 26 5.870 -5.883 -4.182 1.00 0.00 C ATOM 349 O MET A 26 6.838 -5.167 -4.439 1.00 0.00 O ATOM 350 CB MET A 26 5.819 -7.751 -2.519 1.00 0.00 C ATOM 351 CG MET A 26 5.398 -8.249 -1.145 1.00 0.00 C ATOM 352 SD MET A 26 5.567 -10.036 -0.972 1.00 0.00 S ATOM 353 CE MET A 26 3.944 -10.470 -0.351 1.00 0.00 C ATOM 0 H MET A 26 3.521 -6.756 -2.472 1.00 0.00 H new ATOM 0 HA MET A 26 6.176 -5.680 -2.076 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.296 -8.328 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.885 -7.937 -2.653 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.002 -7.755 -0.383 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.361 -7.967 -0.962 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.019 -11.363 0.270 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.550 -9.646 0.244 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.274 -10.666 -1.188 1.00 0.00 H new ATOM 363 N ARG A 27 5.059 -6.367 -5.117 1.00 0.00 N ATOM 364 CA ARG A 27 5.265 -6.078 -6.531 1.00 0.00 C ATOM 365 C ARG A 27 5.363 -4.574 -6.770 1.00 0.00 C ATOM 366 O ARG A 27 6.156 -4.116 -7.593 1.00 0.00 O ATOM 367 CB ARG A 27 4.125 -6.665 -7.365 1.00 0.00 C ATOM 368 CG ARG A 27 4.383 -8.087 -7.836 1.00 0.00 C ATOM 369 CD ARG A 27 5.272 -8.112 -9.069 1.00 0.00 C ATOM 370 NE ARG A 27 4.539 -7.746 -10.279 1.00 0.00 N ATOM 371 CZ ARG A 27 4.990 -7.973 -11.508 1.00 0.00 C ATOM 372 NH1 ARG A 27 6.165 -8.561 -11.689 1.00 0.00 N ATOM 373 NH2 ARG A 27 4.266 -7.611 -12.559 1.00 0.00 N ATOM 0 H ARG A 27 4.253 -6.961 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 27 6.204 -6.539 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.209 -6.648 -6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.957 -6.029 -8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.854 -8.657 -7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.434 -8.575 -8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.106 -7.425 -8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.697 -9.109 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 27 3.632 -7.292 -10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.725 -8.840 -10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.509 -8.734 -12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.362 -7.158 -12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.613 -7.786 -13.502 1.00 0.00 H new ATOM 387 N VAL A 28 4.551 -3.811 -6.046 1.00 0.00 N ATOM 388 CA VAL A 28 4.546 -2.359 -6.179 1.00 0.00 C ATOM 389 C VAL A 28 5.760 -1.740 -5.494 1.00 0.00 C ATOM 390 O VAL A 28 6.368 -0.803 -6.012 1.00 0.00 O ATOM 391 CB VAL A 28 3.266 -1.745 -5.583 1.00 0.00 C ATOM 392 CG1 VAL A 28 2.042 -2.201 -6.362 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.137 -2.107 -4.111 1.00 0.00 C ATOM 0 H VAL A 28 3.888 -4.174 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 28 4.583 -2.139 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 28 3.334 -0.660 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.147 -1.757 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.134 -1.886 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.966 -3.287 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.227 -1.665 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.092 -3.191 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.000 -1.725 -3.565 1.00 0.00 H new ATOM 403 N LEU A 29 6.108 -2.271 -4.327 1.00 0.00 N ATOM 404 CA LEU A 29 7.250 -1.772 -3.570 1.00 0.00 C ATOM 405 C LEU A 29 8.532 -1.871 -4.390 1.00 0.00 C ATOM 406 O LEU A 29 9.521 -1.199 -4.096 1.00 0.00 O ATOM 407 CB LEU A 29 7.404 -2.556 -2.265 1.00 0.00 C ATOM 408 CG LEU A 29 6.655 -1.998 -1.054 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.754 -2.956 0.123 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.198 -0.628 -0.676 1.00 0.00 C ATOM 0 H LEU A 29 5.616 -3.047 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 29 7.070 -0.723 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.066 -3.578 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.465 -2.608 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 29 5.604 -1.889 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.215 -2.542 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.317 -3.916 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.801 -3.098 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.653 -0.246 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.256 -0.711 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.074 0.057 -1.515 1.00 0.00 H new ATOM 422 N GLU A 30 8.507 -2.711 -5.420 1.00 0.00 N ATOM 423 CA GLU A 30 9.667 -2.895 -6.283 1.00 0.00 C ATOM 424 C GLU A 30 9.586 -1.986 -7.506 1.00 0.00 C ATOM 425 O GLU A 30 10.599 -1.470 -7.979 1.00 0.00 O ATOM 426 CB GLU A 30 9.774 -4.356 -6.726 1.00 0.00 C ATOM 427 CG GLU A 30 10.353 -5.274 -5.663 1.00 0.00 C ATOM 428 CD GLU A 30 10.693 -6.650 -6.202 1.00 0.00 C ATOM 429 OE1 GLU A 30 9.762 -7.465 -6.375 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.888 -6.912 -6.451 1.00 0.00 O ATOM 0 H GLU A 30 7.696 -3.274 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 30 10.557 -2.629 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.783 -4.716 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.396 -4.411 -7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.251 -4.819 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.638 -5.374 -4.846 1.00 0.00 H new ATOM 437 N LYS A 31 8.373 -1.795 -8.014 1.00 0.00 N ATOM 438 CA LYS A 31 8.157 -0.949 -9.182 1.00 0.00 C ATOM 439 C LYS A 31 8.069 0.520 -8.780 1.00 0.00 C ATOM 440 O LYS A 31 8.837 1.353 -9.260 1.00 0.00 O ATOM 441 CB LYS A 31 6.878 -1.367 -9.910 1.00 0.00 C ATOM 442 CG LYS A 31 6.681 -0.667 -11.244 1.00 0.00 C ATOM 443 CD LYS A 31 7.317 -1.447 -12.382 1.00 0.00 C ATOM 444 CE LYS A 31 6.681 -1.101 -13.719 1.00 0.00 C ATOM 445 NZ LYS A 31 6.723 -2.249 -14.668 1.00 0.00 N ATOM 0 H LYS A 31 7.524 -2.215 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 31 9.007 -1.074 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.899 -2.444 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.021 -1.159 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.615 -0.543 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.115 0.332 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.385 -1.232 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.213 -2.516 -12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.646 -0.798 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.199 -0.248 -14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.280 -1.972 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.712 -2.522 -14.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.207 -3.055 -14.261 1.00 0.00 H new ATOM 459 N LYS A 32 7.128 0.831 -7.894 1.00 0.00 N ATOM 460 CA LYS A 32 6.940 2.198 -7.425 1.00 0.00 C ATOM 461 C LYS A 32 8.278 2.840 -7.068 1.00 0.00 C ATOM 462 O LYS A 32 8.501 4.022 -7.330 1.00 0.00 O ATOM 463 CB LYS A 32 6.012 2.219 -6.208 1.00 0.00 C ATOM 464 CG LYS A 32 4.646 1.613 -6.475 1.00 0.00 C ATOM 465 CD LYS A 32 3.743 2.581 -7.223 1.00 0.00 C ATOM 466 CE LYS A 32 2.313 2.068 -7.292 1.00 0.00 C ATOM 467 NZ LYS A 32 2.159 0.990 -8.307 1.00 0.00 N ATOM 0 H LYS A 32 6.484 0.153 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 32 6.485 2.772 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.487 1.677 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.885 3.249 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.760 0.698 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.179 1.335 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.759 3.552 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.126 2.732 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.015 1.691 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.643 2.893 -7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.170 0.667 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.419 1.357 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.780 0.192 -8.063 1.00 0.00 H new ATOM 481 N THR A 33 9.166 2.051 -6.471 1.00 0.00 N ATOM 482 CA THR A 33 10.481 2.542 -6.079 1.00 0.00 C ATOM 483 C THR A 33 11.420 2.617 -7.278 1.00 0.00 C ATOM 484 O THR A 33 12.354 3.417 -7.296 1.00 0.00 O ATOM 485 CB THR A 33 11.117 1.646 -4.999 1.00 0.00 C ATOM 486 OG1 THR A 33 12.259 2.296 -4.432 1.00 0.00 O ATOM 487 CG2 THR A 33 11.529 0.304 -5.584 1.00 0.00 C ATOM 0 H THR A 33 8.998 1.070 -6.249 1.00 0.00 H new ATOM 0 HA THR A 33 10.336 3.542 -5.671 1.00 0.00 H new ATOM 0 HB THR A 33 10.375 1.473 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.656 1.720 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.976 -0.312 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.652 -0.202 -5.988 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.255 0.462 -6.381 1.00 0.00 H new ATOM 495 N GLU A 34 11.164 1.778 -8.277 1.00 0.00 N ATOM 496 CA GLU A 34 11.988 1.750 -9.480 1.00 0.00 C ATOM 497 C GLU A 34 12.046 3.129 -10.131 1.00 0.00 C ATOM 498 O GLU A 34 13.113 3.734 -10.231 1.00 0.00 O ATOM 499 CB GLU A 34 11.440 0.726 -10.476 1.00 0.00 C ATOM 500 CG GLU A 34 12.401 0.403 -11.608 1.00 0.00 C ATOM 501 CD GLU A 34 11.704 -0.200 -12.811 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.662 0.346 -13.228 1.00 0.00 O ATOM 503 OE2 GLU A 34 12.200 -1.219 -13.336 1.00 0.00 O ATOM 0 H GLU A 34 10.394 1.110 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 34 12.998 1.461 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.198 -0.193 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.509 1.104 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.918 1.313 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.161 -0.291 -11.248 1.00 0.00 H new ATOM 510 N GLU A 35 10.892 3.618 -10.573 1.00 0.00 N ATOM 511 CA GLU A 35 10.812 4.924 -11.216 1.00 0.00 C ATOM 512 C GLU A 35 11.227 6.031 -10.252 1.00 0.00 C ATOM 513 O GLU A 35 11.772 7.056 -10.663 1.00 0.00 O ATOM 514 CB GLU A 35 9.392 5.181 -11.724 1.00 0.00 C ATOM 515 CG GLU A 35 8.900 4.136 -12.712 1.00 0.00 C ATOM 516 CD GLU A 35 7.855 4.681 -13.666 1.00 0.00 C ATOM 517 OE1 GLU A 35 6.733 4.982 -13.210 1.00 0.00 O ATOM 518 OE2 GLU A 35 8.162 4.808 -14.870 1.00 0.00 O ATOM 0 H GLU A 35 10.000 3.130 -10.498 1.00 0.00 H new ATOM 0 HA GLU A 35 11.499 4.926 -12.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.711 5.213 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.357 6.162 -12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.746 3.756 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.481 3.292 -12.164 1.00 0.00 H new ATOM 525 N PHE A 36 10.966 5.817 -8.967 1.00 0.00 N ATOM 526 CA PHE A 36 11.310 6.797 -7.943 1.00 0.00 C ATOM 527 C PHE A 36 12.795 7.144 -8.000 1.00 0.00 C ATOM 528 O PHE A 36 13.182 8.299 -7.820 1.00 0.00 O ATOM 529 CB PHE A 36 10.953 6.262 -6.555 1.00 0.00 C ATOM 530 CG PHE A 36 11.842 6.787 -5.463 1.00 0.00 C ATOM 531 CD1 PHE A 36 12.063 8.147 -5.325 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.457 5.918 -4.576 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.880 8.633 -4.322 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.275 6.398 -3.570 1.00 0.00 C ATOM 535 CZ PHE A 36 13.488 7.757 -3.444 1.00 0.00 C ATOM 0 H PHE A 36 10.517 4.974 -8.610 1.00 0.00 H new ATOM 0 HA PHE A 36 10.735 7.703 -8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.919 6.524 -6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.011 5.174 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.591 8.836 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.296 4.854 -4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.043 9.696 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.747 5.711 -2.883 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.129 8.134 -2.660 1.00 0.00 H new ATOM 545 N LYS A 37 13.623 6.135 -8.251 1.00 0.00 N ATOM 546 CA LYS A 37 15.065 6.331 -8.333 1.00 0.00 C ATOM 547 C LYS A 37 15.497 6.601 -9.771 1.00 0.00 C ATOM 548 O LYS A 37 16.262 7.528 -10.034 1.00 0.00 O ATOM 549 CB LYS A 37 15.799 5.102 -7.792 1.00 0.00 C ATOM 550 CG LYS A 37 15.498 4.808 -6.332 1.00 0.00 C ATOM 551 CD LYS A 37 15.590 3.321 -6.033 1.00 0.00 C ATOM 552 CE LYS A 37 16.005 3.067 -4.592 1.00 0.00 C ATOM 553 NZ LYS A 37 17.359 3.614 -4.300 1.00 0.00 N ATOM 0 H LYS A 37 13.319 5.173 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 37 15.323 7.198 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.528 4.234 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.873 5.249 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.199 5.352 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.499 5.169 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.626 2.850 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.310 2.857 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.277 3.521 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.996 1.995 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.809 3.047 -3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.941 3.577 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.274 4.600 -3.982 1.00 0.00 H new ATOM 567 N GLN A 38 15.000 5.787 -10.696 1.00 0.00 N ATOM 568 CA GLN A 38 15.335 5.940 -12.107 1.00 0.00 C ATOM 569 C GLN A 38 14.866 7.292 -12.634 1.00 0.00 C ATOM 570 O GLN A 38 15.657 8.070 -13.165 1.00 0.00 O ATOM 571 CB GLN A 38 14.705 4.813 -12.928 1.00 0.00 C ATOM 572 CG GLN A 38 15.561 3.558 -12.995 1.00 0.00 C ATOM 573 CD GLN A 38 15.908 3.014 -11.623 1.00 0.00 C ATOM 574 OE1 GLN A 38 15.174 2.201 -11.061 1.00 0.00 O ATOM 575 NE2 GLN A 38 17.032 3.461 -11.076 1.00 0.00 N ATOM 0 H GLN A 38 14.364 5.015 -10.494 1.00 0.00 H new ATOM 0 HA GLN A 38 16.419 5.889 -12.205 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.736 4.559 -12.498 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.521 5.172 -13.941 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.032 2.792 -13.562 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.480 3.778 -13.537 1.00 0.00 H new ATOM 0 HE21 GLN A 38 17.610 4.135 -11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.317 3.130 -10.154 1.00 0.00 H new ATOM 584 N ASN A 39 13.573 7.564 -12.485 1.00 0.00 N ATOM 585 CA ASN A 39 12.998 8.822 -12.947 1.00 0.00 C ATOM 586 C ASN A 39 13.030 9.873 -11.841 1.00 0.00 C ATOM 587 O ASN A 39 13.758 10.861 -11.930 1.00 0.00 O ATOM 588 CB ASN A 39 11.559 8.606 -13.419 1.00 0.00 C ATOM 589 CG ASN A 39 11.488 8.133 -14.859 1.00 0.00 C ATOM 590 OD1 ASN A 39 12.113 7.139 -15.229 1.00 0.00 O ATOM 591 ND2 ASN A 39 10.725 8.847 -15.678 1.00 0.00 N ATOM 0 H ASN A 39 12.904 6.930 -12.048 1.00 0.00 H new ATOM 0 HA ASN A 39 13.597 9.182 -13.783 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.074 7.873 -12.774 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.002 9.538 -13.317 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.639 8.579 -16.658 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.225 9.664 -15.327 1.00 0.00 H new ATOM 598 N GLY A 40 12.234 9.652 -10.799 1.00 0.00 N ATOM 599 CA GLY A 40 12.187 10.588 -9.691 1.00 0.00 C ATOM 600 C GLY A 40 10.771 10.859 -9.222 1.00 0.00 C ATOM 601 O GLY A 40 9.955 11.398 -9.967 1.00 0.00 O ATOM 0 H GLY A 40 11.621 8.842 -10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.772 10.193 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.653 11.526 -9.992 1.00 0.00 H new ATOM 605 N GLY A 41 10.478 10.481 -7.981 1.00 0.00 N ATOM 606 CA GLY A 41 9.150 10.693 -7.435 1.00 0.00 C ATOM 607 C GLY A 41 9.151 10.774 -5.921 1.00 0.00 C ATOM 608 O GLY A 41 10.197 10.977 -5.303 1.00 0.00 O ATOM 0 H GLY A 41 11.136 10.032 -7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.735 11.614 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.496 9.880 -7.752 1.00 0.00 H new ATOM 612 N LYS A 42 7.977 10.616 -5.321 1.00 0.00 N ATOM 613 CA LYS A 42 7.845 10.672 -3.870 1.00 0.00 C ATOM 614 C LYS A 42 8.610 9.530 -3.209 1.00 0.00 C ATOM 615 O LYS A 42 8.496 8.368 -3.598 1.00 0.00 O ATOM 616 CB LYS A 42 6.369 10.611 -3.469 1.00 0.00 C ATOM 617 CG LYS A 42 5.535 11.744 -4.040 1.00 0.00 C ATOM 618 CD LYS A 42 4.126 11.742 -3.471 1.00 0.00 C ATOM 619 CE LYS A 42 3.187 10.891 -4.312 1.00 0.00 C ATOM 620 NZ LYS A 42 1.764 11.292 -4.132 1.00 0.00 N ATOM 0 H LYS A 42 7.102 10.448 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 42 8.270 11.616 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.950 9.661 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.296 10.630 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.016 12.697 -3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.490 11.653 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.146 11.363 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.750 12.764 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.459 10.981 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.306 9.842 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.156 10.689 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.496 11.182 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.645 12.286 -4.415 1.00 0.00 H new ATOM 634 N PRO A 43 9.409 9.866 -2.185 1.00 0.00 N ATOM 635 CA PRO A 43 10.207 8.883 -1.448 1.00 0.00 C ATOM 636 C PRO A 43 9.344 7.955 -0.599 1.00 0.00 C ATOM 637 O PRO A 43 9.854 7.049 0.061 1.00 0.00 O ATOM 638 CB PRO A 43 11.101 9.748 -0.556 1.00 0.00 C ATOM 639 CG PRO A 43 10.346 11.020 -0.384 1.00 0.00 C ATOM 640 CD PRO A 43 9.594 11.233 -1.668 1.00 0.00 C ATOM 0 HA PRO A 43 10.760 8.223 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.288 9.266 0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.072 9.923 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.662 10.956 0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.022 11.851 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.639 11.731 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.157 11.854 -2.365 1.00 0.00 H new ATOM 648 N TYR A 44 8.037 8.188 -0.620 1.00 0.00 N ATOM 649 CA TYR A 44 7.103 7.374 0.150 1.00 0.00 C ATOM 650 C TYR A 44 5.989 6.833 -0.740 1.00 0.00 C ATOM 651 O TYR A 44 5.931 7.132 -1.934 1.00 0.00 O ATOM 652 CB TYR A 44 6.504 8.193 1.295 1.00 0.00 C ATOM 653 CG TYR A 44 5.777 9.436 0.834 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.507 9.355 0.277 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.361 10.691 0.955 1.00 0.00 C ATOM 656 CE1 TYR A 44 3.839 10.488 -0.147 1.00 0.00 C ATOM 657 CE2 TYR A 44 5.700 11.830 0.536 1.00 0.00 C ATOM 658 CZ TYR A 44 4.439 11.723 -0.015 1.00 0.00 C ATOM 659 OH TYR A 44 3.778 12.854 -0.435 1.00 0.00 O ATOM 0 H TYR A 44 7.600 8.934 -1.162 1.00 0.00 H new ATOM 0 HA TYR A 44 7.654 6.530 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.813 7.565 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.301 8.481 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.033 8.390 0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.348 10.778 1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.853 10.407 -0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.167 12.798 0.639 1.00 0.00 H new ATOM 0 HH TYR A 44 4.339 13.641 -0.270 1.00 0.00 H new ATOM 669 N LEU A 45 5.105 6.035 -0.152 1.00 0.00 N ATOM 670 CA LEU A 45 3.991 5.452 -0.890 1.00 0.00 C ATOM 671 C LEU A 45 2.778 5.260 0.016 1.00 0.00 C ATOM 672 O LEU A 45 2.904 4.792 1.147 1.00 0.00 O ATOM 673 CB LEU A 45 4.403 4.111 -1.499 1.00 0.00 C ATOM 674 CG LEU A 45 3.424 3.499 -2.502 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.667 4.060 -3.895 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.543 1.982 -2.507 1.00 0.00 C ATOM 0 H LEU A 45 5.138 5.777 0.834 1.00 0.00 H new ATOM 0 HA LEU A 45 3.719 6.140 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.366 4.240 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.554 3.398 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 45 2.411 3.762 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.961 3.613 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.529 5.141 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.685 3.828 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.839 1.564 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.558 1.698 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.318 1.596 -1.513 1.00 0.00 H new ATOM 688 N SER A 46 1.604 5.622 -0.491 1.00 0.00 N ATOM 689 CA SER A 46 0.369 5.492 0.273 1.00 0.00 C ATOM 690 C SER A 46 -0.213 4.089 0.129 1.00 0.00 C ATOM 691 O SER A 46 -0.141 3.481 -0.939 1.00 0.00 O ATOM 692 CB SER A 46 -0.654 6.531 -0.189 1.00 0.00 C ATOM 693 OG SER A 46 -1.543 6.874 0.860 1.00 0.00 O ATOM 0 H SER A 46 1.482 6.008 -1.427 1.00 0.00 H new ATOM 0 HA SER A 46 0.601 5.665 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.137 7.425 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.219 6.139 -1.035 1.00 0.00 H new ATOM 0 HG SER A 46 -1.472 6.211 1.579 1.00 0.00 H new ATOM 699 N VAL A 47 -0.792 3.581 1.212 1.00 0.00 N ATOM 700 CA VAL A 47 -1.388 2.250 1.207 1.00 0.00 C ATOM 701 C VAL A 47 -2.629 2.201 2.092 1.00 0.00 C ATOM 702 O VAL A 47 -2.532 2.258 3.318 1.00 0.00 O ATOM 703 CB VAL A 47 -0.386 1.184 1.688 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.038 -0.190 1.712 1.00 0.00 C ATOM 705 CG2 VAL A 47 0.852 1.180 0.804 1.00 0.00 C ATOM 0 H VAL A 47 -0.861 4.071 2.104 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.670 2.033 0.177 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.079 1.431 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.315 -0.930 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.891 -0.176 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.376 -0.450 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.549 0.421 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.565 0.958 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.330 2.159 0.843 1.00 0.00 H new ATOM 715 N ILE A 48 -3.794 2.094 1.462 1.00 0.00 N ATOM 716 CA ILE A 48 -5.054 2.036 2.192 1.00 0.00 C ATOM 717 C ILE A 48 -5.550 0.599 2.318 1.00 0.00 C ATOM 718 O ILE A 48 -6.017 0.004 1.347 1.00 0.00 O ATOM 719 CB ILE A 48 -6.142 2.884 1.507 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.709 4.350 1.441 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.464 2.749 2.248 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.872 4.680 0.225 1.00 0.00 C ATOM 0 H ILE A 48 -3.891 2.046 0.448 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.862 2.441 3.186 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.280 2.519 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.597 4.983 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.142 4.593 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.223 3.354 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.776 1.705 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.342 3.091 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.602 5.736 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.966 4.073 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.444 4.469 -0.679 1.00 0.00 H new ATOM 734 N THR A 49 -5.448 0.047 3.523 1.00 0.00 N ATOM 735 CA THR A 49 -5.886 -1.319 3.778 1.00 0.00 C ATOM 736 C THR A 49 -7.331 -1.351 4.263 1.00 0.00 C ATOM 737 O THR A 49 -8.038 -2.340 4.073 1.00 0.00 O ATOM 738 CB THR A 49 -4.991 -2.011 4.822 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.230 -1.454 6.119 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.521 -1.857 4.462 1.00 0.00 C ATOM 0 H THR A 49 -5.065 0.526 4.338 1.00 0.00 H new ATOM 0 HA THR A 49 -5.810 -1.857 2.833 1.00 0.00 H new ATOM 0 HB THR A 49 -5.237 -3.073 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.025 -0.496 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.908 -2.354 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.336 -2.308 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.264 -0.798 4.426 1.00 0.00 H new ATOM 885 N ARG A 61 -7.822 -8.270 7.795 1.00 0.00 N ATOM 886 CA ARG A 61 -6.660 -9.136 7.952 1.00 0.00 C ATOM 887 C ARG A 61 -5.535 -8.712 7.012 1.00 0.00 C ATOM 888 O ARG A 61 -4.529 -9.409 6.878 1.00 0.00 O ATOM 889 CB ARG A 61 -7.042 -10.592 7.682 1.00 0.00 C ATOM 890 CG ARG A 61 -7.760 -11.259 8.845 1.00 0.00 C ATOM 891 CD ARG A 61 -7.738 -12.774 8.717 1.00 0.00 C ATOM 892 NE ARG A 61 -6.538 -13.357 9.310 1.00 0.00 N ATOM 893 CZ ARG A 61 -6.414 -14.647 9.601 1.00 0.00 C ATOM 894 NH1 ARG A 61 -7.411 -15.485 9.354 1.00 0.00 N ATOM 895 NH2 ARG A 61 -5.290 -15.102 10.140 1.00 0.00 N ATOM 0 HA ARG A 61 -6.307 -9.045 8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.681 -10.634 6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.140 -11.158 7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.288 -10.965 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.792 -10.911 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.621 -13.191 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.792 -13.049 7.664 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.752 -12.740 9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.277 -15.140 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.313 -16.475 9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.520 -14.461 10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.196 -16.093 10.363 1.00 0.00 H new ATOM 909 N ILE A 62 -5.714 -7.566 6.363 1.00 0.00 N ATOM 910 CA ILE A 62 -4.714 -7.050 5.436 1.00 0.00 C ATOM 911 C ILE A 62 -3.640 -6.257 6.173 1.00 0.00 C ATOM 912 O ILE A 62 -2.490 -6.687 6.266 1.00 0.00 O ATOM 913 CB ILE A 62 -5.354 -6.150 4.362 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.399 -6.934 3.566 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.285 -5.591 3.435 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.176 -6.083 2.586 1.00 0.00 C ATOM 0 H ILE A 62 -6.541 -6.978 6.462 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.257 -7.913 4.951 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.852 -5.316 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.902 -7.738 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.096 -7.403 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.752 -4.957 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.573 -5.002 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.763 -6.413 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.898 -6.705 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.701 -5.295 3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.489 -5.635 1.868 1.00 0.00 H new ATOM 928 N LYS A 63 -4.022 -5.098 6.697 1.00 0.00 N ATOM 929 CA LYS A 63 -3.094 -4.245 7.428 1.00 0.00 C ATOM 930 C LYS A 63 -2.215 -5.072 8.362 1.00 0.00 C ATOM 931 O LYS A 63 -0.991 -4.947 8.374 1.00 0.00 O ATOM 932 CB LYS A 63 -3.861 -3.192 8.232 1.00 0.00 C ATOM 933 CG LYS A 63 -3.201 -1.824 8.229 1.00 0.00 C ATOM 934 CD LYS A 63 -3.860 -0.884 9.224 1.00 0.00 C ATOM 935 CE LYS A 63 -3.339 -1.112 10.635 1.00 0.00 C ATOM 936 NZ LYS A 63 -4.316 -0.665 11.666 1.00 0.00 N ATOM 0 H LYS A 63 -4.970 -4.727 6.629 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.453 -3.744 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.869 -3.101 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.961 -3.535 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.144 -1.929 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.257 -1.394 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.674 0.149 8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.940 -1.031 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.122 -2.171 10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.400 -0.574 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.924 -0.837 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.504 0.351 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.203 -1.196 11.557 1.00 0.00 H new ATOM 950 N PRO A 64 -2.853 -5.938 9.163 1.00 0.00 N ATOM 951 CA PRO A 64 -2.149 -6.804 10.113 1.00 0.00 C ATOM 952 C PRO A 64 -0.964 -7.521 9.475 1.00 0.00 C ATOM 953 O PRO A 64 0.154 -7.468 9.987 1.00 0.00 O ATOM 954 CB PRO A 64 -3.220 -7.813 10.535 1.00 0.00 C ATOM 955 CG PRO A 64 -4.512 -7.100 10.334 1.00 0.00 C ATOM 956 CD PRO A 64 -4.312 -6.139 9.202 1.00 0.00 C ATOM 0 HA PRO A 64 -1.726 -6.239 10.943 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.170 -8.719 9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.092 -8.115 11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.310 -7.806 10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.806 -6.571 11.241 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.685 -6.546 8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.840 -5.201 9.376 1.00 0.00 H new ATOM 964 N ALA A 65 -1.216 -8.190 8.355 1.00 0.00 N ATOM 965 CA ALA A 65 -0.168 -8.915 7.646 1.00 0.00 C ATOM 966 C ALA A 65 0.912 -7.965 7.142 1.00 0.00 C ATOM 967 O ALA A 65 2.093 -8.134 7.445 1.00 0.00 O ATOM 968 CB ALA A 65 -0.763 -9.704 6.489 1.00 0.00 C ATOM 0 H ALA A 65 -2.136 -8.245 7.919 1.00 0.00 H new ATOM 0 HA ALA A 65 0.296 -9.611 8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.030 -10.240 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.493 -10.417 6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.254 -9.020 5.796 1.00 0.00 H new ATOM 974 N VAL A 66 0.501 -6.965 6.369 1.00 0.00 N ATOM 975 CA VAL A 66 1.434 -5.987 5.822 1.00 0.00 C ATOM 976 C VAL A 66 2.399 -5.490 6.893 1.00 0.00 C ATOM 977 O VAL A 66 3.611 -5.448 6.679 1.00 0.00 O ATOM 978 CB VAL A 66 0.692 -4.781 5.216 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.682 -3.732 4.734 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.215 -5.230 4.080 1.00 0.00 C ATOM 0 H VAL A 66 -0.473 -6.811 6.107 1.00 0.00 H new ATOM 0 HA VAL A 66 1.996 -6.491 5.036 1.00 0.00 H new ATOM 0 HB VAL A 66 0.071 -4.332 5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.139 -2.888 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.287 -3.389 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.331 -4.166 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.732 -4.365 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.384 -5.705 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.948 -5.942 4.459 1.00 0.00 H new ATOM 990 N ILE A 67 1.854 -5.115 8.045 1.00 0.00 N ATOM 991 CA ILE A 67 2.667 -4.622 9.150 1.00 0.00 C ATOM 992 C ILE A 67 3.743 -5.632 9.532 1.00 0.00 C ATOM 993 O ILE A 67 4.871 -5.261 9.859 1.00 0.00 O ATOM 994 CB ILE A 67 1.805 -4.313 10.388 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.876 -3.130 10.107 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.691 -4.023 11.591 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.264 -3.010 11.094 1.00 0.00 C ATOM 0 H ILE A 67 0.853 -5.143 8.238 1.00 0.00 H new ATOM 0 HA ILE A 67 3.141 -3.701 8.809 1.00 0.00 H new ATOM 0 HB ILE A 67 1.193 -5.186 10.614 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.459 -2.209 10.123 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.467 -3.231 9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.067 -3.806 12.458 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.315 -4.891 11.801 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.326 -3.163 11.377 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.882 -2.150 10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.870 -3.915 11.062 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.137 -2.878 12.099 1.00 0.00 H new ATOM 1009 N LYS A 68 3.389 -6.912 9.489 1.00 0.00 N ATOM 1010 CA LYS A 68 4.325 -7.977 9.828 1.00 0.00 C ATOM 1011 C LYS A 68 5.372 -8.151 8.732 1.00 0.00 C ATOM 1012 O LYS A 68 6.559 -8.317 9.016 1.00 0.00 O ATOM 1013 CB LYS A 68 3.574 -9.294 10.043 1.00 0.00 C ATOM 1014 CG LYS A 68 4.414 -10.371 10.707 1.00 0.00 C ATOM 1015 CD LYS A 68 3.964 -11.762 10.295 1.00 0.00 C ATOM 1016 CE LYS A 68 4.800 -12.841 10.967 1.00 0.00 C ATOM 1017 NZ LYS A 68 4.093 -14.151 11.000 1.00 0.00 N ATOM 0 H LYS A 68 2.460 -7.237 9.222 1.00 0.00 H new ATOM 0 HA LYS A 68 4.833 -7.699 10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.692 -9.104 10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.221 -9.663 9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.462 -10.233 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.345 -10.271 11.790 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.915 -11.898 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.039 -11.864 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.745 -12.952 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.041 -12.533 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.696 -14.859 11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.203 -14.052 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.886 -14.458 10.028 1.00 0.00 H new ATOM 1031 N TYR A 69 4.926 -8.109 7.482 1.00 0.00 N ATOM 1032 CA TYR A 69 5.825 -8.262 6.344 1.00 0.00 C ATOM 1033 C TYR A 69 6.807 -7.097 6.265 1.00 0.00 C ATOM 1034 O TYR A 69 7.971 -7.274 5.904 1.00 0.00 O ATOM 1035 CB TYR A 69 5.025 -8.358 5.044 1.00 0.00 C ATOM 1036 CG TYR A 69 5.877 -8.250 3.800 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.425 -7.034 3.412 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.134 -9.366 3.012 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.203 -6.931 2.275 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.912 -9.272 1.874 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.444 -8.053 1.510 1.00 0.00 C ATOM 1042 OH TYR A 69 8.219 -7.955 0.377 1.00 0.00 O ATOM 0 H TYR A 69 3.947 -7.970 7.231 1.00 0.00 H new ATOM 0 HA TYR A 69 6.392 -9.183 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.489 -9.307 5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.274 -7.568 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.240 -6.154 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.719 -10.322 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.620 -5.977 1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.102 -10.149 1.273 1.00 0.00 H new ATOM 0 HH TYR A 69 8.292 -8.836 -0.047 1.00 0.00 H new ATOM 1052 N LEU A 70 6.329 -5.905 6.606 1.00 0.00 N ATOM 1053 CA LEU A 70 7.164 -4.709 6.575 1.00 0.00 C ATOM 1054 C LEU A 70 8.299 -4.810 7.589 1.00 0.00 C ATOM 1055 O LEU A 70 9.475 -4.774 7.225 1.00 0.00 O ATOM 1056 CB LEU A 70 6.319 -3.466 6.861 1.00 0.00 C ATOM 1057 CG LEU A 70 5.318 -3.072 5.775 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.329 -2.046 6.307 1.00 0.00 C ATOM 1059 CD2 LEU A 70 6.043 -2.531 4.551 1.00 0.00 C ATOM 0 H LEU A 70 5.368 -5.741 6.907 1.00 0.00 H new ATOM 0 HA LEU A 70 7.598 -4.625 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.772 -3.629 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.991 -2.625 7.030 1.00 0.00 H new ATOM 0 HG LEU A 70 4.763 -3.963 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.624 -1.778 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.785 -2.469 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.868 -1.155 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.314 -2.256 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.624 -1.653 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.710 -3.297 4.155 1.00 0.00 H new ATOM 1071 N ILE A 71 7.938 -4.939 8.862 1.00 0.00 N ATOM 1072 CA ILE A 71 8.927 -5.049 9.928 1.00 0.00 C ATOM 1073 C ILE A 71 9.991 -6.087 9.586 1.00 0.00 C ATOM 1074 O ILE A 71 11.179 -5.876 9.829 1.00 0.00 O ATOM 1075 CB ILE A 71 8.269 -5.427 11.268 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.239 -4.370 11.672 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.326 -5.586 12.351 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.303 -4.827 12.768 1.00 0.00 C ATOM 0 H ILE A 71 6.969 -4.970 9.180 1.00 0.00 H new ATOM 0 HA ILE A 71 9.396 -4.070 10.026 1.00 0.00 H new ATOM 0 HB ILE A 71 7.755 -6.380 11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.762 -3.473 12.003 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.652 -4.093 10.796 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.845 -5.853 13.292 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.025 -6.372 12.065 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.866 -4.647 12.473 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.600 -4.028 13.003 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.753 -5.707 12.433 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.880 -5.077 13.658 1.00 0.00 H new ATOM 1090 N SER A 72 9.556 -7.208 9.019 1.00 0.00 N ATOM 1091 CA SER A 72 10.471 -8.280 8.645 1.00 0.00 C ATOM 1092 C SER A 72 11.621 -7.742 7.798 1.00 0.00 C ATOM 1093 O SER A 72 12.791 -7.977 8.099 1.00 0.00 O ATOM 1094 CB SER A 72 9.724 -9.371 7.876 1.00 0.00 C ATOM 1095 OG SER A 72 10.351 -10.632 8.042 1.00 0.00 O ATOM 0 H SER A 72 8.576 -7.397 8.809 1.00 0.00 H new ATOM 0 HA SER A 72 10.884 -8.707 9.559 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.693 -9.425 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.689 -9.115 6.817 1.00 0.00 H new ATOM 0 HG SER A 72 9.854 -11.313 7.542 1.00 0.00 H new ATOM 1101 N HIS A 73 11.278 -7.019 6.737 1.00 0.00 N ATOM 1102 CA HIS A 73 12.280 -6.446 5.845 1.00 0.00 C ATOM 1103 C HIS A 73 12.831 -5.142 6.414 1.00 0.00 C ATOM 1104 O HIS A 73 13.658 -4.480 5.786 1.00 0.00 O ATOM 1105 CB HIS A 73 11.681 -6.199 4.461 1.00 0.00 C ATOM 1106 CG HIS A 73 11.686 -7.412 3.581 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.799 -7.590 2.540 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.478 -8.509 3.591 1.00 0.00 C ATOM 1109 CE1 HIS A 73 11.044 -8.746 1.949 1.00 0.00 C ATOM 1110 NE2 HIS A 73 12.059 -9.323 2.567 1.00 0.00 N ATOM 0 H HIS A 73 10.314 -6.816 6.474 1.00 0.00 H new ATOM 0 HA HIS A 73 13.100 -7.158 5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.656 -5.847 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.239 -5.402 3.970 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.289 -8.708 4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.506 -9.150 1.104 1.00 0.00 H new ATOM 0 HE2 HIS A 73 12.466 -10.226 2.323 1.00 0.00 H new ATOM 1118 N SER A 74 12.368 -4.779 7.606 1.00 0.00 N ATOM 1119 CA SER A 74 12.810 -3.551 8.257 1.00 0.00 C ATOM 1120 C SER A 74 12.364 -2.325 7.466 1.00 0.00 C ATOM 1121 O SER A 74 13.124 -1.371 7.296 1.00 0.00 O ATOM 1122 CB SER A 74 14.333 -3.549 8.406 1.00 0.00 C ATOM 1123 OG SER A 74 14.746 -2.631 9.403 1.00 0.00 O ATOM 0 H SER A 74 11.687 -5.318 8.141 1.00 0.00 H new ATOM 0 HA SER A 74 12.354 -3.509 9.246 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.678 -4.550 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.795 -3.288 7.454 1.00 0.00 H new ATOM 0 HG SER A 74 14.430 -1.733 9.171 1.00 0.00 H new ATOM 1129 N PHE A 75 11.126 -2.359 6.983 1.00 0.00 N ATOM 1130 CA PHE A 75 10.577 -1.251 6.209 1.00 0.00 C ATOM 1131 C PHE A 75 10.109 -0.126 7.127 1.00 0.00 C ATOM 1132 O PHE A 75 9.630 -0.371 8.233 1.00 0.00 O ATOM 1133 CB PHE A 75 9.413 -1.735 5.342 1.00 0.00 C ATOM 1134 CG PHE A 75 9.837 -2.219 3.985 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.356 -1.336 3.051 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.717 -3.556 3.642 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.746 -1.778 1.801 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.106 -4.004 2.394 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.622 -3.114 1.473 1.00 0.00 C ATOM 0 H PHE A 75 10.484 -3.141 7.114 1.00 0.00 H new ATOM 0 HA PHE A 75 11.366 -0.865 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.895 -2.541 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.697 -0.922 5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.457 -0.291 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.315 -4.257 4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.147 -1.080 1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.007 -5.049 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.928 -3.462 0.498 1.00 0.00 H new ATOM 1149 N ARG A 76 10.254 1.110 6.658 1.00 0.00 N ATOM 1150 CA ARG A 76 9.848 2.274 7.437 1.00 0.00 C ATOM 1151 C ARG A 76 8.395 2.642 7.147 1.00 0.00 C ATOM 1152 O ARG A 76 7.958 2.630 5.997 1.00 0.00 O ATOM 1153 CB ARG A 76 10.758 3.464 7.126 1.00 0.00 C ATOM 1154 CG ARG A 76 10.515 4.667 8.023 1.00 0.00 C ATOM 1155 CD ARG A 76 11.716 5.599 8.043 1.00 0.00 C ATOM 1156 NE ARG A 76 11.660 6.540 9.158 1.00 0.00 N ATOM 1157 CZ ARG A 76 12.384 7.652 9.218 1.00 0.00 C ATOM 1158 NH1 ARG A 76 13.214 7.961 8.232 1.00 0.00 N ATOM 1159 NH2 ARG A 76 12.278 8.458 10.267 1.00 0.00 N ATOM 0 H ARG A 76 10.649 1.331 5.744 1.00 0.00 H new ATOM 0 HA ARG A 76 9.938 2.023 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.797 3.151 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.612 3.760 6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.637 5.211 7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.299 4.329 9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.631 5.010 8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.762 6.151 7.104 1.00 0.00 H new ATOM 0 HE ARG A 76 11.031 6.332 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.298 7.344 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.769 8.816 8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.640 8.224 11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.834 9.312 10.312 1.00 0.00 H new ATOM 1173 N PHE A 77 7.652 2.968 8.200 1.00 0.00 N ATOM 1174 CA PHE A 77 6.249 3.338 8.059 1.00 0.00 C ATOM 1175 C PHE A 77 5.725 3.980 9.340 1.00 0.00 C ATOM 1176 O PHE A 77 6.259 3.752 10.426 1.00 0.00 O ATOM 1177 CB PHE A 77 5.408 2.108 7.712 1.00 0.00 C ATOM 1178 CG PHE A 77 5.269 1.136 8.849 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.382 0.502 9.376 1.00 0.00 C ATOM 1180 CD2 PHE A 77 4.024 0.856 9.390 1.00 0.00 C ATOM 1181 CE1 PHE A 77 6.258 -0.392 10.422 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.894 -0.038 10.436 1.00 0.00 C ATOM 1183 CZ PHE A 77 5.012 -0.663 10.953 1.00 0.00 C ATOM 0 H PHE A 77 7.998 2.983 9.159 1.00 0.00 H new ATOM 0 HA PHE A 77 6.170 4.064 7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.416 2.433 7.399 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.859 1.597 6.861 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.359 0.709 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.146 1.342 8.990 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.134 -0.878 10.824 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.918 -0.248 10.849 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.912 -1.362 11.770 1.00 0.00 H new ATOM 1193 N SER A 78 4.676 4.786 9.205 1.00 0.00 N ATOM 1194 CA SER A 78 4.082 5.466 10.350 1.00 0.00 C ATOM 1195 C SER A 78 2.594 5.716 10.122 1.00 0.00 C ATOM 1196 O SER A 78 2.189 6.175 9.055 1.00 0.00 O ATOM 1197 CB SER A 78 4.799 6.792 10.611 1.00 0.00 C ATOM 1198 OG SER A 78 4.755 7.134 11.985 1.00 0.00 O ATOM 0 H SER A 78 4.220 4.984 8.314 1.00 0.00 H new ATOM 0 HA SER A 78 4.195 4.822 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.836 6.718 10.284 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.334 7.582 10.021 1.00 0.00 H new ATOM 0 HG SER A 78 5.222 7.984 12.126 1.00 0.00 H new ATOM 1204 N GLU A 79 1.787 5.409 11.133 1.00 0.00 N ATOM 1205 CA GLU A 79 0.344 5.600 11.042 1.00 0.00 C ATOM 1206 C GLU A 79 -0.023 7.070 11.219 1.00 0.00 C ATOM 1207 O GLU A 79 0.008 7.599 12.331 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.371 4.753 12.097 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.877 4.688 11.906 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.545 3.717 12.860 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.224 3.757 14.067 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.387 2.918 12.402 1.00 0.00 O ATOM 0 H GLU A 79 2.107 5.028 12.023 1.00 0.00 H new ATOM 0 HA GLU A 79 0.022 5.281 10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.034 3.741 12.074 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.156 5.160 13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.301 5.682 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.097 4.393 10.880 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.368 7.724 10.115 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.742 9.133 10.148 1.00 0.00 C ATOM 1221 C ILE A 80 -2.256 9.302 10.087 1.00 0.00 C ATOM 1222 O ILE A 80 -2.806 10.271 10.612 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.102 9.912 8.984 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.480 9.273 7.646 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.410 9.960 9.146 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.254 10.182 6.457 1.00 0.00 C ATOM 0 H ILE A 80 -0.396 7.301 9.187 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.372 9.536 11.091 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.481 10.934 8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.101 8.361 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.530 8.981 7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.848 10.514 8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.660 10.455 10.084 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.807 8.945 9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.543 9.664 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.856 11.084 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.800 10.454 6.402 1.00 0.00 H new ATOM 1238 N LYS A 81 -2.926 8.351 9.445 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.378 8.391 9.318 1.00 0.00 C ATOM 1240 C LYS A 81 -4.984 7.012 9.554 1.00 0.00 C ATOM 1241 O LYS A 81 -4.350 5.981 9.325 1.00 0.00 O ATOM 1242 CB LYS A 81 -4.775 8.904 7.931 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.063 10.184 7.529 1.00 0.00 C ATOM 1244 CD LYS A 81 -4.845 11.414 7.958 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.097 11.601 7.114 1.00 0.00 C ATOM 1246 NZ LYS A 81 -5.835 12.439 5.911 1.00 0.00 N ATOM 0 H LYS A 81 -2.486 7.543 9.004 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.765 9.072 10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.561 8.132 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.851 9.075 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.071 10.207 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.922 10.199 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.123 11.322 9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.212 12.297 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.474 10.627 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.876 12.066 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.712 12.543 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.499 13.377 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.110 11.983 5.321 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.241 6.988 10.022 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.959 5.740 10.297 1.00 0.00 C ATOM 1262 C PRO A 82 -7.316 4.983 9.022 1.00 0.00 C ATOM 1263 O PRO A 82 -8.377 5.196 8.438 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.229 6.212 11.011 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.432 7.610 10.537 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.057 8.177 10.318 1.00 0.00 C ATOM 0 HA PRO A 82 -6.357 5.044 10.882 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.082 5.581 10.760 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.112 6.174 12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.013 7.629 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.983 8.196 11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.043 8.890 9.493 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.694 8.704 11.201 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.421 4.097 8.596 1.00 0.00 N ATOM 1275 CA GLY A 83 -6.660 3.322 7.393 1.00 0.00 C ATOM 1276 C GLY A 83 -5.641 3.607 6.307 1.00 0.00 C ATOM 1277 O GLY A 83 -5.760 3.107 5.188 1.00 0.00 O ATOM 0 H GLY A 83 -5.535 3.902 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.638 2.260 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.659 3.541 7.016 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.639 4.414 6.636 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.596 4.767 5.679 1.00 0.00 C ATOM 1283 C CYS A 84 -2.213 4.465 6.246 1.00 0.00 C ATOM 1284 O CYS A 84 -1.905 4.822 7.384 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.697 6.248 5.308 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.090 6.636 3.649 1.00 0.00 S ATOM 0 H CYS A 84 -4.526 4.836 7.558 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.740 4.164 4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.738 6.561 5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.134 6.833 6.035 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.219 7.910 3.427 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.383 3.804 5.446 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.032 3.452 5.868 1.00 0.00 C ATOM 1294 C LEU A 85 1.008 4.093 4.955 1.00 0.00 C ATOM 1295 O LEU A 85 1.120 3.742 3.780 1.00 0.00 O ATOM 1296 CB LEU A 85 0.142 1.932 5.870 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.385 1.198 7.104 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.063 -0.286 7.020 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.198 1.801 8.373 1.00 0.00 C ATOM 0 H LEU A 85 -1.622 3.501 4.502 1.00 0.00 H new ATOM 0 HA LEU A 85 0.117 3.831 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.359 1.528 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.203 1.708 5.764 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.468 1.313 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.445 -0.792 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.529 -0.710 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.017 -0.421 6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.188 1.266 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.285 1.718 8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.084 2.852 8.439 1.00 0.00 H new ATOM 1311 N LYS A 86 1.769 5.034 5.503 1.00 0.00 N ATOM 1312 CA LYS A 86 2.804 5.723 4.741 1.00 0.00 C ATOM 1313 C LYS A 86 4.146 5.013 4.881 1.00 0.00 C ATOM 1314 O LYS A 86 4.824 5.141 5.901 1.00 0.00 O ATOM 1315 CB LYS A 86 2.930 7.174 5.209 1.00 0.00 C ATOM 1316 CG LYS A 86 3.715 8.055 4.253 1.00 0.00 C ATOM 1317 CD LYS A 86 3.365 9.523 4.433 1.00 0.00 C ATOM 1318 CE LYS A 86 4.438 10.428 3.846 1.00 0.00 C ATOM 1319 NZ LYS A 86 3.874 11.722 3.373 1.00 0.00 N ATOM 0 H LYS A 86 1.688 5.337 6.473 1.00 0.00 H new ATOM 0 HA LYS A 86 2.515 5.711 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.932 7.593 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.413 7.191 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.783 7.912 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.508 7.754 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.409 9.732 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.243 9.742 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.204 10.619 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.927 9.920 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.157 11.884 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.836 11.692 3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.234 12.496 3.967 1.00 0.00 H new ATOM 1333 N VAL A 87 4.527 4.266 3.850 1.00 0.00 N ATOM 1334 CA VAL A 87 5.790 3.538 3.857 1.00 0.00 C ATOM 1335 C VAL A 87 6.847 4.263 3.031 1.00 0.00 C ATOM 1336 O VAL A 87 6.737 4.356 1.809 1.00 0.00 O ATOM 1337 CB VAL A 87 5.618 2.109 3.310 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.901 1.312 3.484 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.451 1.413 3.995 1.00 0.00 C ATOM 0 H VAL A 87 3.978 4.149 2.998 1.00 0.00 H new ATOM 0 HA VAL A 87 6.118 3.484 4.895 1.00 0.00 H new ATOM 0 HB VAL A 87 5.399 2.171 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.760 0.305 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.710 1.802 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.154 1.257 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.344 0.404 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.637 1.361 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.535 1.974 3.812 1.00 0.00 H new ATOM 1349 N MET A 88 7.870 4.775 3.708 1.00 0.00 N ATOM 1350 CA MET A 88 8.948 5.490 3.036 1.00 0.00 C ATOM 1351 C MET A 88 9.801 4.535 2.206 1.00 0.00 C ATOM 1352 O MET A 88 10.471 3.655 2.748 1.00 0.00 O ATOM 1353 CB MET A 88 9.824 6.215 4.059 1.00 0.00 C ATOM 1354 CG MET A 88 9.051 7.179 4.946 1.00 0.00 C ATOM 1355 SD MET A 88 8.760 8.771 4.153 1.00 0.00 S ATOM 1356 CE MET A 88 10.420 9.445 4.127 1.00 0.00 C ATOM 0 H MET A 88 7.975 4.708 4.720 1.00 0.00 H new ATOM 0 HA MET A 88 8.500 6.224 2.366 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.322 5.476 4.687 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.604 6.765 3.533 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.094 6.731 5.215 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.602 7.335 5.873 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.371 10.531 4.042 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.936 9.176 5.049 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.964 9.039 3.274 1.00 0.00 H new ATOM 1366 N LEU A 89 9.770 4.713 0.890 1.00 0.00 N ATOM 1367 CA LEU A 89 10.540 3.866 -0.015 1.00 0.00 C ATOM 1368 C LEU A 89 12.038 4.046 0.214 1.00 0.00 C ATOM 1369 O LEU A 89 12.584 5.128 -0.003 1.00 0.00 O ATOM 1370 CB LEU A 89 10.192 4.190 -1.468 1.00 0.00 C ATOM 1371 CG LEU A 89 8.741 3.940 -1.882 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.507 4.403 -3.312 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.390 2.467 -1.733 1.00 0.00 C ATOM 0 H LEU A 89 9.220 5.436 0.426 1.00 0.00 H new ATOM 0 HA LEU A 89 10.282 2.827 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.426 5.239 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.841 3.601 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 89 8.091 4.516 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.469 4.217 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.718 5.470 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.166 3.854 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.354 2.308 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.046 1.871 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.518 2.166 -0.693 1.00 0.00 H new