USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 157:sc= 0.704 USER MOD Set 1.2: A 70 CYS SG : rot -37:sc= -3.27 USER MOD Set 1.3: A 83 HIS : no HE2:sc= -1.27 K(o=-4.4,f=-6.6) USER MOD Set 1.4: A 87 HIS : no HE2:sc= -0.597 K(o=-4.4,f=-6.2) USER MOD Set 2.1: A 39 CYS SG : rot -145:sc= 0.148 USER MOD Set 2.2: A 42 CYS SG : rot -10:sc= -1.77 USER MOD Set 2.3: A 55 HIS : no HD1:sc= 0.256 K(o=-5.2,f=-8.3) USER MOD Set 2.4: A 59 HIS : no HD1:sc= -3.79 K(o=-5.2,f=-7.2!) USER MOD Set 3.1: A 11 CYS SG : rot 0:sc= -0.527 USER MOD Set 3.2: A 14 CYS SG : rot -61:sc= -0.239 USER MOD Set 3.3: A 27 HIS : no HD1:sc= -0.382 K(o=-9.6,f=-16!) USER MOD Set 3.4: A 28 MET CE :methyl -132:sc= -0.324 (180deg=-0.515) USER MOD Set 3.5: A 31 HIS : no HD1:sc= -8.15! C(o=-9.6!,f=-13!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -55:sc= 0.257 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.186 (180deg=-0.818) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.0787 (180deg=-0.745) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0416 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.756 F(o=-1.6,f=0.76) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.417) USER MOD Single : A 68 GLN : amide:sc= -0.639 K(o=-0.64,f=-2.1) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 110:sc= -0.23 USER MOD Single : A 76 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.57) USER MOD Single : A 77 SER OG : rot 20:sc= 0.00426 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc=-0.00327 K(o=-0.0033,f=-2.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 23.292 -13.394 2.381 1.00 0.00 N ATOM 81 CA HIS A 9 21.979 -13.016 1.873 1.00 0.00 C ATOM 82 C HIS A 9 21.574 -13.902 0.699 1.00 0.00 C ATOM 83 O HIS A 9 21.877 -13.600 -0.455 1.00 0.00 O ATOM 84 CB HIS A 9 21.978 -11.548 1.443 1.00 0.00 C ATOM 85 CG HIS A 9 21.809 -10.591 2.582 1.00 0.00 C ATOM 86 ND1 HIS A 9 20.757 -9.703 2.669 1.00 0.00 N ATOM 87 CD2 HIS A 9 22.564 -10.386 3.686 1.00 0.00 C ATOM 88 CE1 HIS A 9 20.874 -8.992 3.776 1.00 0.00 C ATOM 89 NE2 HIS A 9 21.962 -9.387 4.412 1.00 0.00 N ATOM 0 HA HIS A 9 21.254 -13.153 2.675 1.00 0.00 H new ATOM 0 HB2 HIS A 9 22.914 -11.328 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.175 -11.389 0.723 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.471 -10.910 3.948 1.00 0.00 H new ATOM 0 HE1 HIS A 9 20.195 -8.219 4.105 1.00 0.00 H new ATOM 0 HE2 HIS A 9 22.300 -9.011 5.298 1.00 0.00 H new ATOM 97 N LYS A 10 20.887 -14.999 1.001 1.00 0.00 N ATOM 98 CA LYS A 10 20.440 -15.930 -0.027 1.00 0.00 C ATOM 99 C LYS A 10 18.924 -16.093 0.008 1.00 0.00 C ATOM 100 O LYS A 10 18.375 -16.696 0.931 1.00 0.00 O ATOM 101 CB LYS A 10 21.114 -17.291 0.159 1.00 0.00 C ATOM 102 CG LYS A 10 20.858 -18.258 -0.984 1.00 0.00 C ATOM 103 CD LYS A 10 21.017 -19.702 -0.538 1.00 0.00 C ATOM 104 CE LYS A 10 20.467 -20.669 -1.576 1.00 0.00 C ATOM 105 NZ LYS A 10 20.431 -22.068 -1.066 1.00 0.00 N ATOM 0 H LYS A 10 20.628 -15.265 1.951 1.00 0.00 H new ATOM 0 HA LYS A 10 20.722 -15.522 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.189 -17.143 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 10 20.761 -17.738 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.851 -18.105 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 10 21.550 -18.050 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 10 22.071 -19.916 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 10 20.499 -19.850 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.462 -20.361 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.082 -20.626 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 20.050 -22.696 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 21.394 -22.371 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.824 -22.115 -0.223 1.00 0.00 H new ATOM 119 N CYS A 11 18.251 -15.552 -1.003 1.00 0.00 N ATOM 120 CA CYS A 11 16.798 -15.638 -1.088 1.00 0.00 C ATOM 121 C CYS A 11 16.321 -17.064 -0.829 1.00 0.00 C ATOM 122 O CYS A 11 17.119 -18.000 -0.805 1.00 0.00 O ATOM 123 CB CYS A 11 16.319 -15.170 -2.464 1.00 0.00 C ATOM 124 SG CYS A 11 14.654 -14.432 -2.460 1.00 0.00 S ATOM 0 H CYS A 11 18.689 -15.049 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 11 16.375 -14.988 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.028 -14.440 -2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 11 16.327 -16.019 -3.148 1.00 0.00 H new ATOM 0 HG CYS A 11 14.176 -14.446 -1.251 1.00 0.00 H new ATOM 129 N GLU A 12 15.015 -17.219 -0.636 1.00 0.00 N ATOM 130 CA GLU A 12 14.433 -18.531 -0.378 1.00 0.00 C ATOM 131 C GLU A 12 13.314 -18.834 -1.371 1.00 0.00 C ATOM 132 O GLU A 12 13.295 -19.894 -1.996 1.00 0.00 O ATOM 133 CB GLU A 12 13.893 -18.601 1.052 1.00 0.00 C ATOM 134 CG GLU A 12 12.830 -19.668 1.250 1.00 0.00 C ATOM 135 CD GLU A 12 11.462 -19.226 0.766 1.00 0.00 C ATOM 136 OE1 GLU A 12 10.974 -18.179 1.242 1.00 0.00 O ATOM 137 OE2 GLU A 12 10.880 -19.926 -0.088 1.00 0.00 O ATOM 0 H GLU A 12 14.341 -16.454 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 12 15.217 -19.279 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.721 -18.794 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.476 -17.631 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.125 -20.572 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.771 -19.925 2.308 1.00 0.00 H new ATOM 144 N VAL A 13 12.383 -17.895 -1.509 1.00 0.00 N ATOM 145 CA VAL A 13 11.261 -18.061 -2.426 1.00 0.00 C ATOM 146 C VAL A 13 11.730 -18.580 -3.780 1.00 0.00 C ATOM 147 O VAL A 13 11.115 -19.474 -4.361 1.00 0.00 O ATOM 148 CB VAL A 13 10.504 -16.735 -2.630 1.00 0.00 C ATOM 149 CG1 VAL A 13 9.639 -16.422 -1.419 1.00 0.00 C ATOM 150 CG2 VAL A 13 11.480 -15.602 -2.907 1.00 0.00 C ATOM 0 H VAL A 13 12.383 -17.012 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 13 10.588 -18.790 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 13 9.850 -16.839 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.112 -15.482 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.915 -17.223 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.269 -16.336 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.928 -14.673 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.161 -15.494 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.051 -15.826 -3.808 1.00 0.00 H new ATOM 160 N CYS A 14 12.824 -18.014 -4.278 1.00 0.00 N ATOM 161 CA CYS A 14 13.377 -18.419 -5.565 1.00 0.00 C ATOM 162 C CYS A 14 14.674 -19.201 -5.378 1.00 0.00 C ATOM 163 O CYS A 14 14.930 -20.177 -6.081 1.00 0.00 O ATOM 164 CB CYS A 14 13.631 -17.192 -6.443 1.00 0.00 C ATOM 165 SG CYS A 14 14.953 -16.099 -5.830 1.00 0.00 S ATOM 0 H CYS A 14 13.346 -17.273 -3.810 1.00 0.00 H new ATOM 0 HA CYS A 14 12.651 -19.066 -6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.887 -17.525 -7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.708 -16.618 -6.523 1.00 0.00 H new ATOM 0 HG CYS A 14 14.630 -15.643 -4.656 1.00 0.00 H new ATOM 170 N GLY A 15 15.490 -18.764 -4.423 1.00 0.00 N ATOM 171 CA GLY A 15 16.750 -19.434 -4.160 1.00 0.00 C ATOM 172 C GLY A 15 17.899 -18.837 -4.948 1.00 0.00 C ATOM 173 O GLY A 15 18.611 -19.548 -5.657 1.00 0.00 O ATOM 0 H GLY A 15 15.301 -17.958 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.974 -19.375 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 15 16.654 -20.491 -4.407 1.00 0.00 H new ATOM 177 N LYS A 16 18.081 -17.527 -4.825 1.00 0.00 N ATOM 178 CA LYS A 16 19.152 -16.833 -5.532 1.00 0.00 C ATOM 179 C LYS A 16 20.256 -16.412 -4.567 1.00 0.00 C ATOM 180 O LYS A 16 20.111 -16.535 -3.351 1.00 0.00 O ATOM 181 CB LYS A 16 18.599 -15.605 -6.259 1.00 0.00 C ATOM 182 CG LYS A 16 19.357 -15.257 -7.528 1.00 0.00 C ATOM 183 CD LYS A 16 18.456 -14.584 -8.549 1.00 0.00 C ATOM 184 CE LYS A 16 19.265 -13.884 -9.631 1.00 0.00 C ATOM 185 NZ LYS A 16 19.795 -14.846 -10.636 1.00 0.00 N ATOM 0 H LYS A 16 17.501 -16.924 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 16 19.576 -17.520 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.552 -15.781 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.627 -14.750 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.190 -14.597 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.783 -16.163 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.803 -15.328 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.814 -13.860 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.640 -13.144 -10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.094 -13.344 -9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.340 -14.331 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.412 -15.537 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.003 -15.343 -11.092 1.00 0.00 H new ATOM 199 N CYS A 17 21.357 -15.913 -5.118 1.00 0.00 N ATOM 200 CA CYS A 17 22.486 -15.473 -4.306 1.00 0.00 C ATOM 201 C CYS A 17 22.770 -13.991 -4.527 1.00 0.00 C ATOM 202 O CYS A 17 22.989 -13.552 -5.657 1.00 0.00 O ATOM 203 CB CYS A 17 23.731 -16.298 -4.636 1.00 0.00 C ATOM 204 SG CYS A 17 24.964 -16.334 -3.315 1.00 0.00 S ATOM 0 H CYS A 17 21.492 -15.803 -6.123 1.00 0.00 H new ATOM 0 HA CYS A 17 22.228 -15.622 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 17 23.427 -17.320 -4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 17 24.192 -15.895 -5.538 1.00 0.00 H new ATOM 0 HG CYS A 17 25.978 -17.058 -3.687 1.00 0.00 H new ATOM 210 N PHE A 18 22.761 -13.224 -3.442 1.00 0.00 N ATOM 211 CA PHE A 18 23.015 -11.790 -3.518 1.00 0.00 C ATOM 212 C PHE A 18 24.028 -11.360 -2.461 1.00 0.00 C ATOM 213 O PHE A 18 23.842 -11.608 -1.270 1.00 0.00 O ATOM 214 CB PHE A 18 21.711 -11.009 -3.338 1.00 0.00 C ATOM 215 CG PHE A 18 20.758 -11.162 -4.488 1.00 0.00 C ATOM 216 CD1 PHE A 18 21.036 -10.585 -5.717 1.00 0.00 C ATOM 217 CD2 PHE A 18 19.583 -11.883 -4.341 1.00 0.00 C ATOM 218 CE1 PHE A 18 20.159 -10.723 -6.777 1.00 0.00 C ATOM 219 CE2 PHE A 18 18.703 -12.025 -5.397 1.00 0.00 C ATOM 220 CZ PHE A 18 18.992 -11.445 -6.617 1.00 0.00 C ATOM 0 H PHE A 18 22.581 -13.571 -2.500 1.00 0.00 H new ATOM 0 HA PHE A 18 23.429 -11.572 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 18 21.221 -11.342 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 18 21.945 -9.952 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 18 21.948 -10.021 -5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 18 19.353 -12.339 -3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 18 20.386 -10.267 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.791 -12.589 -5.269 1.00 0.00 H new ATOM 0 HZ PHE A 18 18.307 -11.556 -7.444 1.00 0.00 H new ATOM 230 N SER A 19 25.101 -10.714 -2.906 1.00 0.00 N ATOM 231 CA SER A 19 26.147 -10.253 -2.000 1.00 0.00 C ATOM 232 C SER A 19 25.983 -8.768 -1.692 1.00 0.00 C ATOM 233 O SER A 19 26.965 -8.038 -1.559 1.00 0.00 O ATOM 234 CB SER A 19 27.527 -10.510 -2.608 1.00 0.00 C ATOM 235 OG SER A 19 28.548 -10.362 -1.636 1.00 0.00 O ATOM 0 H SER A 19 25.269 -10.498 -3.889 1.00 0.00 H new ATOM 0 HA SER A 19 26.059 -10.811 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 19 27.562 -11.516 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 19 27.700 -9.816 -3.431 1.00 0.00 H new ATOM 0 HG SER A 19 28.478 -9.477 -1.220 1.00 0.00 H new ATOM 241 N ARG A 20 24.734 -8.328 -1.580 1.00 0.00 N ATOM 242 CA ARG A 20 24.440 -6.930 -1.289 1.00 0.00 C ATOM 243 C ARG A 20 22.969 -6.747 -0.928 1.00 0.00 C ATOM 244 O ARG A 20 22.081 -7.238 -1.627 1.00 0.00 O ATOM 245 CB ARG A 20 24.794 -6.051 -2.491 1.00 0.00 C ATOM 246 CG ARG A 20 24.102 -6.471 -3.777 1.00 0.00 C ATOM 247 CD ARG A 20 24.982 -6.217 -4.991 1.00 0.00 C ATOM 248 NE ARG A 20 25.162 -4.791 -5.248 1.00 0.00 N ATOM 249 CZ ARG A 20 25.906 -4.310 -6.238 1.00 0.00 C ATOM 250 NH1 ARG A 20 26.536 -5.138 -7.060 1.00 0.00 N ATOM 251 NH2 ARG A 20 26.021 -2.999 -6.407 1.00 0.00 N ATOM 0 H ARG A 20 23.910 -8.919 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 20 25.046 -6.628 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 20 24.528 -5.018 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 20 25.873 -6.076 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 20 23.848 -7.530 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.166 -5.923 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.955 -6.683 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.537 -6.690 -5.867 1.00 0.00 H new ATOM 0 HE ARG A 20 24.690 -4.127 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.450 -6.146 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.107 -4.767 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 20 25.538 -2.359 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.593 -2.631 -7.167 1.00 0.00 H new ATOM 265 N LYS A 21 22.717 -6.039 0.167 1.00 0.00 N ATOM 266 CA LYS A 21 21.354 -5.791 0.622 1.00 0.00 C ATOM 267 C LYS A 21 20.621 -4.860 -0.339 1.00 0.00 C ATOM 268 O LYS A 21 19.392 -4.798 -0.341 1.00 0.00 O ATOM 269 CB LYS A 21 21.366 -5.184 2.027 1.00 0.00 C ATOM 270 CG LYS A 21 21.831 -3.738 2.061 1.00 0.00 C ATOM 271 CD LYS A 21 20.672 -2.775 1.868 1.00 0.00 C ATOM 272 CE LYS A 21 20.055 -2.372 3.199 1.00 0.00 C ATOM 273 NZ LYS A 21 19.073 -3.382 3.683 1.00 0.00 N ATOM 0 H LYS A 21 23.440 -5.626 0.757 1.00 0.00 H new ATOM 0 HA LYS A 21 20.827 -6.745 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 21 20.362 -5.244 2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.016 -5.781 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.320 -3.534 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 21 22.574 -3.575 1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.020 -1.886 1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 21 19.912 -3.239 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.843 -2.247 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.561 -1.406 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.418 -2.935 4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.536 -3.759 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.578 -4.159 4.155 1.00 0.00 H new ATOM 287 N ASP A 22 21.383 -4.140 -1.154 1.00 0.00 N ATOM 288 CA ASP A 22 20.806 -3.214 -2.122 1.00 0.00 C ATOM 289 C ASP A 22 20.022 -3.967 -3.193 1.00 0.00 C ATOM 290 O ASP A 22 18.973 -3.510 -3.647 1.00 0.00 O ATOM 291 CB ASP A 22 21.904 -2.372 -2.773 1.00 0.00 C ATOM 292 CG ASP A 22 21.356 -1.394 -3.793 1.00 0.00 C ATOM 293 OD1 ASP A 22 20.502 -1.803 -4.607 1.00 0.00 O ATOM 294 OD2 ASP A 22 21.781 -0.220 -3.778 1.00 0.00 O ATOM 0 H ASP A 22 22.402 -4.179 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 22 20.120 -2.553 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 22 22.443 -1.823 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 22 22.625 -3.031 -3.257 1.00 0.00 H new ATOM 299 N LYS A 23 20.539 -5.123 -3.594 1.00 0.00 N ATOM 300 CA LYS A 23 19.889 -5.941 -4.612 1.00 0.00 C ATOM 301 C LYS A 23 18.745 -6.751 -4.010 1.00 0.00 C ATOM 302 O LYS A 23 17.697 -6.922 -4.634 1.00 0.00 O ATOM 303 CB LYS A 23 20.905 -6.880 -5.266 1.00 0.00 C ATOM 304 CG LYS A 23 21.612 -6.272 -6.465 1.00 0.00 C ATOM 305 CD LYS A 23 21.907 -7.318 -7.527 1.00 0.00 C ATOM 306 CE LYS A 23 20.657 -7.684 -8.312 1.00 0.00 C ATOM 307 NZ LYS A 23 20.978 -8.494 -9.520 1.00 0.00 N ATOM 0 H LYS A 23 21.407 -5.515 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 23 19.479 -5.275 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 23 21.649 -7.169 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.396 -7.791 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 23 20.993 -5.483 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 23 22.543 -5.807 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 23 22.669 -6.940 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 23 22.316 -8.211 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.976 -8.243 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.137 -6.774 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.100 -8.723 -10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 21.608 -7.951 -10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 21.451 -9.374 -9.232 1.00 0.00 H new ATOM 321 N LEU A 24 18.952 -7.245 -2.795 1.00 0.00 N ATOM 322 CA LEU A 24 17.937 -8.036 -2.108 1.00 0.00 C ATOM 323 C LEU A 24 16.729 -7.178 -1.747 1.00 0.00 C ATOM 324 O LEU A 24 15.587 -7.629 -1.826 1.00 0.00 O ATOM 325 CB LEU A 24 18.524 -8.668 -0.844 1.00 0.00 C ATOM 326 CG LEU A 24 17.854 -9.956 -0.364 1.00 0.00 C ATOM 327 CD1 LEU A 24 16.430 -9.680 0.092 1.00 0.00 C ATOM 328 CD2 LEU A 24 17.869 -11.007 -1.465 1.00 0.00 C ATOM 0 H LEU A 24 19.813 -7.112 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 24 17.609 -8.826 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 24 19.579 -8.876 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.475 -7.935 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 24 18.417 -10.340 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 24 15.970 -10.608 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.443 -8.962 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.855 -9.271 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 24 17.388 -11.917 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.330 -10.631 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.899 -11.227 -1.744 1.00 0.00 H new ATOM 340 N LYS A 25 16.989 -5.936 -1.353 1.00 0.00 N ATOM 341 CA LYS A 25 15.924 -5.011 -0.984 1.00 0.00 C ATOM 342 C LYS A 25 14.806 -5.027 -2.021 1.00 0.00 C ATOM 343 O LYS A 25 13.655 -5.329 -1.703 1.00 0.00 O ATOM 344 CB LYS A 25 16.480 -3.592 -0.840 1.00 0.00 C ATOM 345 CG LYS A 25 16.957 -3.265 0.565 1.00 0.00 C ATOM 346 CD LYS A 25 17.526 -1.859 0.647 1.00 0.00 C ATOM 347 CE LYS A 25 16.425 -0.821 0.806 1.00 0.00 C ATOM 348 NZ LYS A 25 16.908 0.396 1.516 1.00 0.00 N ATOM 0 H LYS A 25 17.929 -5.547 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 25 15.513 -5.333 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.310 -3.464 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.709 -2.878 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.127 -3.364 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.717 -3.985 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.215 -1.793 1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.102 -1.645 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.045 -0.541 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.592 -1.257 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.128 1.079 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.247 0.134 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.686 0.827 0.977 1.00 0.00 H new ATOM 362 N THR A 26 15.151 -4.702 -3.263 1.00 0.00 N ATOM 363 CA THR A 26 14.176 -4.680 -4.346 1.00 0.00 C ATOM 364 C THR A 26 13.805 -6.093 -4.781 1.00 0.00 C ATOM 365 O THR A 26 12.635 -6.392 -5.022 1.00 0.00 O ATOM 366 CB THR A 26 14.709 -3.903 -5.565 1.00 0.00 C ATOM 367 OG1 THR A 26 15.278 -2.659 -5.142 1.00 0.00 O ATOM 368 CG2 THR A 26 13.596 -3.643 -6.569 1.00 0.00 C ATOM 0 H THR A 26 16.099 -4.450 -3.544 1.00 0.00 H new ATOM 0 HA THR A 26 13.289 -4.176 -3.962 1.00 0.00 H new ATOM 0 HB THR A 26 15.477 -4.508 -6.047 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.616 -2.172 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.996 -3.093 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.185 -4.593 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.809 -3.056 -6.096 1.00 0.00 H new ATOM 376 N HIS A 27 14.808 -6.960 -4.879 1.00 0.00 N ATOM 377 CA HIS A 27 14.586 -8.344 -5.283 1.00 0.00 C ATOM 378 C HIS A 27 13.347 -8.916 -4.604 1.00 0.00 C ATOM 379 O HIS A 27 12.715 -9.838 -5.119 1.00 0.00 O ATOM 380 CB HIS A 27 15.808 -9.198 -4.946 1.00 0.00 C ATOM 381 CG HIS A 27 15.695 -10.616 -5.414 1.00 0.00 C ATOM 382 ND1 HIS A 27 15.779 -10.980 -6.741 1.00 0.00 N ATOM 383 CD2 HIS A 27 15.505 -11.764 -4.722 1.00 0.00 C ATOM 384 CE1 HIS A 27 15.644 -12.290 -6.846 1.00 0.00 C ATOM 385 NE2 HIS A 27 15.477 -12.790 -5.635 1.00 0.00 N ATOM 0 H HIS A 27 15.782 -6.729 -4.684 1.00 0.00 H new ATOM 0 HA HIS A 27 14.427 -8.361 -6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 27 16.692 -8.745 -5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 27 15.959 -9.191 -3.867 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.396 -11.856 -3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 27 15.666 -12.856 -7.766 1.00 0.00 H new ATOM 0 HE2 HIS A 27 15.348 -13.777 -5.414 1.00 0.00 H new ATOM 393 N MET A 28 13.005 -8.364 -3.444 1.00 0.00 N ATOM 394 CA MET A 28 11.841 -8.821 -2.694 1.00 0.00 C ATOM 395 C MET A 28 10.555 -8.254 -3.289 1.00 0.00 C ATOM 396 O MET A 28 9.531 -8.935 -3.341 1.00 0.00 O ATOM 397 CB MET A 28 11.961 -8.411 -1.225 1.00 0.00 C ATOM 398 CG MET A 28 13.091 -9.112 -0.489 1.00 0.00 C ATOM 399 SD MET A 28 12.562 -10.647 0.296 1.00 0.00 S ATOM 400 CE MET A 28 13.067 -11.848 -0.934 1.00 0.00 C ATOM 0 H MET A 28 13.517 -7.600 -3.003 1.00 0.00 H new ATOM 0 HA MET A 28 11.802 -9.908 -2.758 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.115 -7.333 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.020 -8.626 -0.718 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.898 -9.326 -1.190 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.497 -8.442 0.269 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.246 -12.538 -1.128 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.334 -11.333 -1.857 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.929 -12.405 -0.567 1.00 0.00 H new ATOM 410 N ARG A 29 10.616 -7.003 -3.735 1.00 0.00 N ATOM 411 CA ARG A 29 9.456 -6.345 -4.324 1.00 0.00 C ATOM 412 C ARG A 29 8.690 -7.303 -5.232 1.00 0.00 C ATOM 413 O ARG A 29 7.463 -7.242 -5.322 1.00 0.00 O ATOM 414 CB ARG A 29 9.891 -5.112 -5.118 1.00 0.00 C ATOM 415 CG ARG A 29 10.227 -3.914 -4.245 1.00 0.00 C ATOM 416 CD ARG A 29 10.084 -2.608 -5.012 1.00 0.00 C ATOM 417 NE ARG A 29 10.660 -1.480 -4.284 1.00 0.00 N ATOM 418 CZ ARG A 29 10.983 -0.326 -4.856 1.00 0.00 C ATOM 419 NH1 ARG A 29 10.788 -0.147 -6.155 1.00 0.00 N ATOM 420 NH2 ARG A 29 11.502 0.654 -4.126 1.00 0.00 N ATOM 0 H ARG A 29 11.456 -6.425 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 29 8.796 -6.034 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.762 -5.367 -5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.095 -4.836 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.570 -3.900 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.247 -4.009 -3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.573 -2.702 -5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.029 -2.414 -5.205 1.00 0.00 H new ATOM 0 HE ARG A 29 10.823 -1.584 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.388 -0.897 -6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.037 0.741 -6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.653 0.520 -3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.750 1.541 -4.565 1.00 0.00 H new ATOM 434 N CYS A 30 9.422 -8.186 -5.902 1.00 0.00 N ATOM 435 CA CYS A 30 8.812 -9.157 -6.804 1.00 0.00 C ATOM 436 C CYS A 30 8.146 -10.284 -6.021 1.00 0.00 C ATOM 437 O CYS A 30 6.959 -10.560 -6.198 1.00 0.00 O ATOM 438 CB CYS A 30 9.863 -9.732 -7.755 1.00 0.00 C ATOM 439 SG CYS A 30 9.171 -10.582 -9.193 1.00 0.00 S ATOM 0 H CYS A 30 10.438 -8.250 -5.838 1.00 0.00 H new ATOM 0 HA CYS A 30 8.048 -8.643 -7.387 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.507 -8.923 -8.100 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.494 -10.429 -7.203 1.00 0.00 H new ATOM 0 HG CYS A 30 10.137 -11.031 -9.938 1.00 0.00 H new ATOM 445 N HIS A 31 8.919 -10.933 -5.156 1.00 0.00 N ATOM 446 CA HIS A 31 8.404 -12.032 -4.346 1.00 0.00 C ATOM 447 C HIS A 31 7.340 -11.536 -3.372 1.00 0.00 C ATOM 448 O HIS A 31 6.196 -11.992 -3.400 1.00 0.00 O ATOM 449 CB HIS A 31 9.542 -12.703 -3.578 1.00 0.00 C ATOM 450 CG HIS A 31 10.628 -13.236 -4.461 1.00 0.00 C ATOM 451 ND1 HIS A 31 10.379 -13.897 -5.645 1.00 0.00 N ATOM 452 CD2 HIS A 31 11.975 -13.202 -4.327 1.00 0.00 C ATOM 453 CE1 HIS A 31 11.525 -14.248 -6.201 1.00 0.00 C ATOM 454 NE2 HIS A 31 12.509 -13.837 -5.421 1.00 0.00 N ATOM 0 H HIS A 31 9.903 -10.717 -4.998 1.00 0.00 H new ATOM 0 HA HIS A 31 7.947 -12.762 -5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.972 -11.984 -2.881 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.135 -13.520 -2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.527 -12.758 -3.511 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.638 -14.780 -7.134 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.504 -13.970 -5.602 1.00 0.00 H new ATOM 535 N TYR A 37 -5.695 -13.238 2.352 1.00 0.00 N ATOM 536 CA TYR A 37 -7.008 -13.862 2.472 1.00 0.00 C ATOM 537 C TYR A 37 -6.890 -15.275 3.034 1.00 0.00 C ATOM 538 O TYR A 37 -6.524 -16.211 2.322 1.00 0.00 O ATOM 539 CB TYR A 37 -7.704 -13.899 1.110 1.00 0.00 C ATOM 540 CG TYR A 37 -7.824 -12.542 0.454 1.00 0.00 C ATOM 541 CD1 TYR A 37 -8.419 -11.477 1.120 1.00 0.00 C ATOM 542 CD2 TYR A 37 -7.344 -12.325 -0.831 1.00 0.00 C ATOM 543 CE1 TYR A 37 -8.531 -10.236 0.524 1.00 0.00 C ATOM 544 CE2 TYR A 37 -7.451 -11.087 -1.434 1.00 0.00 C ATOM 545 CZ TYR A 37 -8.045 -10.045 -0.753 1.00 0.00 C ATOM 546 OH TYR A 37 -8.155 -8.811 -1.350 1.00 0.00 O ATOM 0 HA TYR A 37 -7.605 -13.265 3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.152 -14.566 0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.700 -14.324 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -8.800 -11.622 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.879 -13.138 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.997 -9.419 1.055 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.071 -10.936 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.763 -8.846 -2.247 1.00 0.00 H new ATOM 556 N LYS A 38 -7.203 -15.423 4.317 1.00 0.00 N ATOM 557 CA LYS A 38 -7.135 -16.721 4.977 1.00 0.00 C ATOM 558 C LYS A 38 -8.525 -17.196 5.387 1.00 0.00 C ATOM 559 O LYS A 38 -9.182 -16.578 6.226 1.00 0.00 O ATOM 560 CB LYS A 38 -6.228 -16.643 6.207 1.00 0.00 C ATOM 561 CG LYS A 38 -4.764 -16.909 5.901 1.00 0.00 C ATOM 562 CD LYS A 38 -4.427 -18.385 6.030 1.00 0.00 C ATOM 563 CE LYS A 38 -3.991 -18.736 7.445 1.00 0.00 C ATOM 564 NZ LYS A 38 -5.147 -19.108 8.306 1.00 0.00 N ATOM 0 H LYS A 38 -7.507 -14.659 4.921 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.719 -17.439 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.323 -15.654 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.572 -17.364 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.535 -16.569 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.138 -16.331 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.297 -18.983 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.632 -18.640 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.282 -19.563 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.469 -17.886 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.811 -19.667 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.615 -18.246 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.824 -19.672 7.754 1.00 0.00 H new ATOM 578 N CYS A 39 -8.968 -18.298 4.791 1.00 0.00 N ATOM 579 CA CYS A 39 -10.280 -18.858 5.094 1.00 0.00 C ATOM 580 C CYS A 39 -10.448 -19.067 6.596 1.00 0.00 C ATOM 581 O CYS A 39 -9.529 -19.524 7.277 1.00 0.00 O ATOM 582 CB CYS A 39 -10.474 -20.185 4.358 1.00 0.00 C ATOM 583 SG CYS A 39 -12.188 -20.801 4.376 1.00 0.00 S ATOM 0 H CYS A 39 -8.437 -18.821 4.095 1.00 0.00 H new ATOM 0 HA CYS A 39 -11.037 -18.150 4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.153 -20.065 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.825 -20.936 4.808 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.182 -22.099 4.439 1.00 0.00 H new ATOM 588 N LYS A 40 -11.628 -18.731 7.106 1.00 0.00 N ATOM 589 CA LYS A 40 -11.919 -18.883 8.527 1.00 0.00 C ATOM 590 C LYS A 40 -11.890 -20.353 8.934 1.00 0.00 C ATOM 591 O LYS A 40 -11.033 -20.777 9.709 1.00 0.00 O ATOM 592 CB LYS A 40 -13.285 -18.278 8.857 1.00 0.00 C ATOM 593 CG LYS A 40 -13.311 -16.761 8.790 1.00 0.00 C ATOM 594 CD LYS A 40 -14.731 -16.224 8.848 1.00 0.00 C ATOM 595 CE LYS A 40 -15.442 -16.384 7.513 1.00 0.00 C ATOM 596 NZ LYS A 40 -16.915 -16.210 7.645 1.00 0.00 N ATOM 0 H LYS A 40 -12.399 -18.351 6.556 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.149 -18.353 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.026 -18.677 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.581 -18.594 9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.732 -16.350 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.833 -16.428 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.288 -16.749 9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.712 -15.171 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.052 -15.654 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.228 -17.371 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.363 -16.327 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.291 -16.923 8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.121 -15.259 8.012 1.00 0.00 H new ATOM 610 N THR A 41 -12.833 -21.127 8.405 1.00 0.00 N ATOM 611 CA THR A 41 -12.915 -22.549 8.713 1.00 0.00 C ATOM 612 C THR A 41 -11.622 -23.267 8.345 1.00 0.00 C ATOM 613 O THR A 41 -11.015 -23.941 9.179 1.00 0.00 O ATOM 614 CB THR A 41 -14.088 -23.217 7.971 1.00 0.00 C ATOM 615 OG1 THR A 41 -14.008 -24.641 8.109 1.00 0.00 O ATOM 616 CG2 THR A 41 -14.079 -22.844 6.496 1.00 0.00 C ATOM 0 H THR A 41 -13.550 -20.793 7.761 1.00 0.00 H new ATOM 0 HA THR A 41 -13.080 -22.631 9.787 1.00 0.00 H new ATOM 0 HB THR A 41 -15.018 -22.861 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.758 -25.058 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.916 -23.328 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.170 -21.763 6.394 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.144 -23.174 6.043 1.00 0.00 H new ATOM 624 N CYS A 42 -11.203 -23.119 7.093 1.00 0.00 N ATOM 625 CA CYS A 42 -9.981 -23.753 6.614 1.00 0.00 C ATOM 626 C CYS A 42 -8.764 -22.882 6.910 1.00 0.00 C ATOM 627 O CYS A 42 -8.877 -21.839 7.554 1.00 0.00 O ATOM 628 CB CYS A 42 -10.076 -24.022 5.111 1.00 0.00 C ATOM 629 SG CYS A 42 -11.684 -24.690 4.575 1.00 0.00 S ATOM 0 H CYS A 42 -11.693 -22.565 6.391 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.864 -24.701 7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.883 -23.093 4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.291 -24.723 4.828 1.00 0.00 H new ATOM 0 HG CYS A 42 -12.389 -25.015 5.618 1.00 0.00 H new ATOM 634 N ASP A 43 -7.602 -23.316 6.435 1.00 0.00 N ATOM 635 CA ASP A 43 -6.364 -22.576 6.647 1.00 0.00 C ATOM 636 C ASP A 43 -5.758 -22.138 5.317 1.00 0.00 C ATOM 637 O ASP A 43 -4.696 -21.517 5.281 1.00 0.00 O ATOM 638 CB ASP A 43 -5.360 -23.430 7.422 1.00 0.00 C ATOM 639 CG ASP A 43 -4.985 -24.698 6.682 1.00 0.00 C ATOM 640 OD1 ASP A 43 -5.766 -25.671 6.737 1.00 0.00 O ATOM 641 OD2 ASP A 43 -3.910 -24.719 6.047 1.00 0.00 O ATOM 0 H ASP A 43 -7.492 -24.177 5.900 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.598 -21.685 7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.460 -22.845 7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.782 -23.691 8.393 1.00 0.00 H new ATOM 646 N TYR A 44 -6.440 -22.467 4.225 1.00 0.00 N ATOM 647 CA TYR A 44 -5.967 -22.112 2.893 1.00 0.00 C ATOM 648 C TYR A 44 -5.885 -20.597 2.730 1.00 0.00 C ATOM 649 O TYR A 44 -6.592 -19.850 3.406 1.00 0.00 O ATOM 650 CB TYR A 44 -6.892 -22.701 1.826 1.00 0.00 C ATOM 651 CG TYR A 44 -6.746 -22.048 0.470 1.00 0.00 C ATOM 652 CD1 TYR A 44 -5.657 -22.329 -0.344 1.00 0.00 C ATOM 653 CD2 TYR A 44 -7.700 -21.152 0.004 1.00 0.00 C ATOM 654 CE1 TYR A 44 -5.519 -21.734 -1.583 1.00 0.00 C ATOM 655 CE2 TYR A 44 -7.572 -20.553 -1.235 1.00 0.00 C ATOM 656 CZ TYR A 44 -6.479 -20.847 -2.024 1.00 0.00 C ATOM 657 OH TYR A 44 -6.347 -20.253 -3.259 1.00 0.00 O ATOM 0 H TYR A 44 -7.322 -22.979 4.237 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.967 -22.528 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.689 -23.768 1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.925 -22.602 2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.905 -23.025 -0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.556 -20.920 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.664 -21.962 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.323 -19.859 -1.583 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.108 -19.656 -3.418 1.00 0.00 H new ATOM 667 N ALA A 45 -5.018 -20.152 1.827 1.00 0.00 N ATOM 668 CA ALA A 45 -4.845 -18.727 1.572 1.00 0.00 C ATOM 669 C ALA A 45 -5.063 -18.403 0.098 1.00 0.00 C ATOM 670 O ALA A 45 -4.803 -19.231 -0.775 1.00 0.00 O ATOM 671 CB ALA A 45 -3.460 -18.276 2.014 1.00 0.00 C ATOM 0 H ALA A 45 -4.424 -20.757 1.260 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.593 -18.186 2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.345 -17.210 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.340 -18.464 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.703 -18.831 1.460 1.00 0.00 H new ATOM 677 N ALA A 46 -5.543 -17.193 -0.172 1.00 0.00 N ATOM 678 CA ALA A 46 -5.795 -16.759 -1.541 1.00 0.00 C ATOM 679 C ALA A 46 -5.044 -15.469 -1.855 1.00 0.00 C ATOM 680 O ALA A 46 -4.947 -14.576 -1.014 1.00 0.00 O ATOM 681 CB ALA A 46 -7.287 -16.572 -1.769 1.00 0.00 C ATOM 0 H ALA A 46 -5.765 -16.496 0.539 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.430 -17.534 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.460 -16.248 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.803 -17.516 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.668 -15.818 -1.081 1.00 0.00 H new ATOM 687 N ALA A 47 -4.515 -15.379 -3.070 1.00 0.00 N ATOM 688 CA ALA A 47 -3.774 -14.198 -3.495 1.00 0.00 C ATOM 689 C ALA A 47 -4.693 -12.987 -3.613 1.00 0.00 C ATOM 690 O ALA A 47 -4.561 -12.021 -2.860 1.00 0.00 O ATOM 691 CB ALA A 47 -3.074 -14.462 -4.821 1.00 0.00 C ATOM 0 H ALA A 47 -4.586 -16.110 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.022 -13.979 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.525 -13.571 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.380 -15.295 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.815 -14.709 -5.581 1.00 0.00 H new ATOM 697 N ASP A 48 -5.622 -13.044 -4.560 1.00 0.00 N ATOM 698 CA ASP A 48 -6.563 -11.952 -4.776 1.00 0.00 C ATOM 699 C ASP A 48 -7.944 -12.310 -4.235 1.00 0.00 C ATOM 700 O ASP A 48 -8.275 -13.485 -4.080 1.00 0.00 O ATOM 701 CB ASP A 48 -6.656 -11.616 -6.265 1.00 0.00 C ATOM 702 CG ASP A 48 -5.563 -10.666 -6.713 1.00 0.00 C ATOM 703 OD1 ASP A 48 -5.656 -9.462 -6.394 1.00 0.00 O ATOM 704 OD2 ASP A 48 -4.615 -11.125 -7.384 1.00 0.00 O ATOM 0 H ASP A 48 -5.744 -13.836 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.197 -11.078 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.595 -12.536 -6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.629 -11.171 -6.474 1.00 0.00 H new ATOM 709 N SER A 49 -8.746 -11.288 -3.950 1.00 0.00 N ATOM 710 CA SER A 49 -10.089 -11.495 -3.422 1.00 0.00 C ATOM 711 C SER A 49 -10.831 -12.557 -4.227 1.00 0.00 C ATOM 712 O SER A 49 -11.710 -13.245 -3.707 1.00 0.00 O ATOM 713 CB SER A 49 -10.875 -10.183 -3.442 1.00 0.00 C ATOM 714 OG SER A 49 -11.067 -9.722 -4.768 1.00 0.00 O ATOM 0 H SER A 49 -8.489 -10.309 -4.076 1.00 0.00 H new ATOM 0 HA SER A 49 -9.999 -11.841 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.842 -10.328 -2.961 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.342 -9.428 -2.865 1.00 0.00 H new ATOM 0 HG SER A 49 -11.573 -8.883 -4.753 1.00 0.00 H new ATOM 720 N SER A 50 -10.471 -12.685 -5.500 1.00 0.00 N ATOM 721 CA SER A 50 -11.105 -13.660 -6.380 1.00 0.00 C ATOM 722 C SER A 50 -10.710 -15.081 -5.989 1.00 0.00 C ATOM 723 O SER A 50 -11.558 -15.968 -5.890 1.00 0.00 O ATOM 724 CB SER A 50 -10.718 -13.393 -7.836 1.00 0.00 C ATOM 725 OG SER A 50 -9.314 -13.476 -8.014 1.00 0.00 O ATOM 0 H SER A 50 -9.743 -12.126 -5.945 1.00 0.00 H new ATOM 0 HA SER A 50 -12.185 -13.559 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.213 -14.115 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.068 -12.404 -8.133 1.00 0.00 H new ATOM 0 HG SER A 50 -9.093 -13.303 -8.953 1.00 0.00 H new ATOM 731 N SER A 51 -9.416 -15.290 -5.769 1.00 0.00 N ATOM 732 CA SER A 51 -8.906 -16.603 -5.393 1.00 0.00 C ATOM 733 C SER A 51 -9.736 -17.204 -4.262 1.00 0.00 C ATOM 734 O SER A 51 -10.053 -18.394 -4.274 1.00 0.00 O ATOM 735 CB SER A 51 -7.440 -16.502 -4.968 1.00 0.00 C ATOM 736 OG SER A 51 -6.574 -16.682 -6.075 1.00 0.00 O ATOM 0 H SER A 51 -8.701 -14.566 -5.845 1.00 0.00 H new ATOM 0 HA SER A 51 -8.980 -17.257 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.256 -15.529 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.226 -17.254 -4.209 1.00 0.00 H new ATOM 0 HG SER A 51 -5.643 -16.611 -5.777 1.00 0.00 H new ATOM 742 N LEU A 52 -10.083 -16.373 -3.286 1.00 0.00 N ATOM 743 CA LEU A 52 -10.875 -16.821 -2.146 1.00 0.00 C ATOM 744 C LEU A 52 -12.352 -16.922 -2.515 1.00 0.00 C ATOM 745 O LEU A 52 -13.008 -17.921 -2.224 1.00 0.00 O ATOM 746 CB LEU A 52 -10.697 -15.862 -0.968 1.00 0.00 C ATOM 747 CG LEU A 52 -11.157 -16.381 0.395 1.00 0.00 C ATOM 748 CD1 LEU A 52 -10.067 -17.223 1.041 1.00 0.00 C ATOM 749 CD2 LEU A 52 -11.546 -15.223 1.303 1.00 0.00 C ATOM 0 H LEU A 52 -9.829 -15.386 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.523 -17.811 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.642 -15.598 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.242 -14.944 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.034 -17.011 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.412 -17.584 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.835 -18.073 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.172 -16.617 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.871 -15.611 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.687 -14.568 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.360 -14.660 0.846 1.00 0.00 H new ATOM 761 N ASN A 53 -12.868 -15.880 -3.161 1.00 0.00 N ATOM 762 CA ASN A 53 -14.267 -15.852 -3.572 1.00 0.00 C ATOM 763 C ASN A 53 -14.674 -17.179 -4.204 1.00 0.00 C ATOM 764 O ASN A 53 -15.842 -17.567 -4.162 1.00 0.00 O ATOM 765 CB ASN A 53 -14.507 -14.708 -4.559 1.00 0.00 C ATOM 766 CG ASN A 53 -14.892 -13.416 -3.865 1.00 0.00 C ATOM 767 OD1 ASN A 53 -16.125 -12.974 -4.081 1.00 0.00 O flip ATOM 768 ND2 ASN A 53 -14.090 -12.823 -3.144 1.00 0.00 N flip ATOM 0 H ASN A 53 -12.338 -15.045 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.878 -15.690 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.605 -14.545 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.296 -14.992 -5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.152 -13.200 -3.007 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.363 -11.955 -2.684 1.00 0.00 H new ATOM 775 N LYS A 54 -13.704 -17.872 -4.790 1.00 0.00 N ATOM 776 CA LYS A 54 -13.959 -19.157 -5.430 1.00 0.00 C ATOM 777 C LYS A 54 -13.924 -20.290 -4.409 1.00 0.00 C ATOM 778 O LYS A 54 -14.639 -21.284 -4.545 1.00 0.00 O ATOM 779 CB LYS A 54 -12.928 -19.416 -6.530 1.00 0.00 C ATOM 780 CG LYS A 54 -13.069 -20.777 -7.189 1.00 0.00 C ATOM 781 CD LYS A 54 -11.975 -21.017 -8.215 1.00 0.00 C ATOM 782 CE LYS A 54 -12.173 -20.156 -9.453 1.00 0.00 C ATOM 783 NZ LYS A 54 -11.067 -20.334 -10.435 1.00 0.00 N ATOM 0 H LYS A 54 -12.732 -17.565 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.954 -19.122 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.020 -18.642 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.928 -19.329 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.032 -21.556 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.044 -20.849 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.004 -20.799 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.966 -22.069 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.122 -20.411 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.234 -19.108 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.239 -19.731 -11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.164 -20.067 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.025 -21.329 -10.734 1.00 0.00 H new ATOM 797 N HIS A 55 -13.090 -20.133 -3.386 1.00 0.00 N ATOM 798 CA HIS A 55 -12.964 -21.143 -2.341 1.00 0.00 C ATOM 799 C HIS A 55 -14.251 -21.247 -1.528 1.00 0.00 C ATOM 800 O HIS A 55 -14.879 -22.305 -1.473 1.00 0.00 O ATOM 801 CB HIS A 55 -11.790 -20.810 -1.420 1.00 0.00 C ATOM 802 CG HIS A 55 -11.595 -21.803 -0.315 1.00 0.00 C ATOM 803 ND1 HIS A 55 -10.909 -22.987 -0.482 1.00 0.00 N ATOM 804 CD2 HIS A 55 -11.998 -21.781 0.976 1.00 0.00 C ATOM 805 CE1 HIS A 55 -10.901 -23.653 0.660 1.00 0.00 C ATOM 806 NE2 HIS A 55 -11.555 -22.942 1.561 1.00 0.00 N ATOM 0 H HIS A 55 -12.492 -19.317 -3.258 1.00 0.00 H new ATOM 0 HA HIS A 55 -12.779 -22.105 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.877 -20.755 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.948 -19.823 -0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.563 -20.996 1.457 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.439 -24.614 0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.706 -23.211 2.533 1.00 0.00 H new ATOM 814 N LEU A 56 -14.638 -20.143 -0.898 1.00 0.00 N ATOM 815 CA LEU A 56 -15.850 -20.110 -0.087 1.00 0.00 C ATOM 816 C LEU A 56 -16.946 -20.967 -0.711 1.00 0.00 C ATOM 817 O LEU A 56 -17.628 -21.721 -0.018 1.00 0.00 O ATOM 818 CB LEU A 56 -16.341 -18.670 0.072 1.00 0.00 C ATOM 819 CG LEU A 56 -15.403 -17.719 0.816 1.00 0.00 C ATOM 820 CD1 LEU A 56 -16.070 -16.369 1.028 1.00 0.00 C ATOM 821 CD2 LEU A 56 -14.980 -18.322 2.148 1.00 0.00 C ATOM 0 H LEU A 56 -14.130 -19.259 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.612 -20.517 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -16.529 -18.260 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -17.297 -18.689 0.596 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.511 -17.569 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.388 -15.705 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -16.323 -15.932 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.979 -16.500 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.313 -17.632 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.862 -18.502 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.462 -19.265 1.972 1.00 0.00 H new ATOM 833 N ARG A 57 -17.108 -20.847 -2.025 1.00 0.00 N ATOM 834 CA ARG A 57 -18.121 -21.612 -2.743 1.00 0.00 C ATOM 835 C ARG A 57 -18.021 -23.097 -2.407 1.00 0.00 C ATOM 836 O ARG A 57 -19.024 -23.744 -2.104 1.00 0.00 O ATOM 837 CB ARG A 57 -17.970 -21.408 -4.252 1.00 0.00 C ATOM 838 CG ARG A 57 -18.170 -19.968 -4.694 1.00 0.00 C ATOM 839 CD ARG A 57 -17.617 -19.733 -6.091 1.00 0.00 C ATOM 840 NE ARG A 57 -18.608 -20.014 -7.127 1.00 0.00 N ATOM 841 CZ ARG A 57 -18.420 -19.750 -8.415 1.00 0.00 C ATOM 842 NH1 ARG A 57 -17.285 -19.201 -8.824 1.00 0.00 N ATOM 843 NH2 ARG A 57 -19.370 -20.035 -9.297 1.00 0.00 N ATOM 0 H ARG A 57 -16.551 -20.228 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.101 -21.252 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.977 -21.738 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.690 -22.042 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.232 -19.725 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -17.678 -19.298 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -17.283 -18.699 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.742 -20.365 -6.245 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.493 -20.436 -6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.553 -18.980 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.144 -18.999 -9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.245 -20.457 -8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.225 -19.832 -10.286 1.00 0.00 H new ATOM 857 N ILE A 58 -16.805 -23.630 -2.463 1.00 0.00 N ATOM 858 CA ILE A 58 -16.574 -25.038 -2.164 1.00 0.00 C ATOM 859 C ILE A 58 -17.413 -25.492 -0.975 1.00 0.00 C ATOM 860 O ILE A 58 -17.936 -26.607 -0.960 1.00 0.00 O ATOM 861 CB ILE A 58 -15.088 -25.313 -1.865 1.00 0.00 C ATOM 862 CG1 ILE A 58 -14.711 -26.729 -2.305 1.00 0.00 C ATOM 863 CG2 ILE A 58 -14.801 -25.120 -0.383 1.00 0.00 C ATOM 864 CD1 ILE A 58 -13.258 -27.071 -2.062 1.00 0.00 C ATOM 0 H ILE A 58 -15.965 -23.108 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 58 -16.868 -25.602 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 58 -14.482 -24.603 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.338 -27.445 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.929 -26.841 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.747 -25.318 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -15.037 -24.095 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.413 -25.809 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.063 -28.089 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.624 -26.379 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.039 -26.992 -0.997 1.00 0.00 H new ATOM 876 N HIS A 59 -17.539 -24.621 0.021 1.00 0.00 N ATOM 877 CA HIS A 59 -18.318 -24.931 1.215 1.00 0.00 C ATOM 878 C HIS A 59 -19.810 -24.761 0.950 1.00 0.00 C ATOM 879 O HIS A 59 -20.621 -25.597 1.348 1.00 0.00 O ATOM 880 CB HIS A 59 -17.889 -24.035 2.377 1.00 0.00 C ATOM 881 CG HIS A 59 -16.404 -23.954 2.554 1.00 0.00 C ATOM 882 ND1 HIS A 59 -15.566 -25.038 2.394 1.00 0.00 N ATOM 883 CD2 HIS A 59 -15.606 -22.909 2.878 1.00 0.00 C ATOM 884 CE1 HIS A 59 -14.319 -24.663 2.614 1.00 0.00 C ATOM 885 NE2 HIS A 59 -14.315 -23.376 2.909 1.00 0.00 N ATOM 0 H HIS A 59 -17.112 -23.695 0.025 1.00 0.00 H new ATOM 0 HA HIS A 59 -18.131 -25.971 1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -18.283 -23.031 2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.337 -24.409 3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.926 -21.896 3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.449 -25.301 2.561 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.488 -22.819 3.125 1.00 0.00 H new ATOM 955 N PRO A 64 -28.186 -24.331 -7.096 1.00 0.00 N ATOM 956 CA PRO A 64 -28.370 -24.510 -8.539 1.00 0.00 C ATOM 957 C PRO A 64 -28.337 -23.187 -9.296 1.00 0.00 C ATOM 958 O PRO A 64 -27.677 -23.067 -10.328 1.00 0.00 O ATOM 959 CB PRO A 64 -29.756 -25.151 -8.643 1.00 0.00 C ATOM 960 CG PRO A 64 -30.468 -24.716 -7.409 1.00 0.00 C ATOM 961 CD PRO A 64 -29.417 -24.613 -6.339 1.00 0.00 C ATOM 0 HA PRO A 64 -27.574 -25.110 -8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -30.279 -24.819 -9.540 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -29.687 -26.237 -8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -30.964 -23.758 -7.562 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -31.240 -25.434 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -29.643 -23.818 -5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -29.334 -25.537 -5.767 1.00 0.00 H new ATOM 969 N PHE A 65 -29.053 -22.195 -8.777 1.00 0.00 N ATOM 970 CA PHE A 65 -29.106 -20.880 -9.404 1.00 0.00 C ATOM 971 C PHE A 65 -27.946 -20.006 -8.935 1.00 0.00 C ATOM 972 O PHE A 65 -27.541 -20.063 -7.774 1.00 0.00 O ATOM 973 CB PHE A 65 -30.437 -20.194 -9.088 1.00 0.00 C ATOM 974 CG PHE A 65 -31.637 -20.986 -9.519 1.00 0.00 C ATOM 975 CD1 PHE A 65 -31.937 -21.139 -10.863 1.00 0.00 C ATOM 976 CD2 PHE A 65 -32.466 -21.580 -8.580 1.00 0.00 C ATOM 977 CE1 PHE A 65 -33.042 -21.868 -11.263 1.00 0.00 C ATOM 978 CE2 PHE A 65 -33.572 -22.309 -8.974 1.00 0.00 C ATOM 979 CZ PHE A 65 -33.859 -22.454 -10.317 1.00 0.00 C ATOM 0 H PHE A 65 -29.605 -22.277 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 65 -29.022 -21.016 -10.482 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -30.497 -20.013 -8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -30.460 -19.220 -9.577 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -31.300 -20.684 -11.607 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -32.245 -21.472 -7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -33.265 -21.979 -12.314 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -34.211 -22.765 -8.232 1.00 0.00 H new ATOM 0 HZ PHE A 65 -34.722 -23.025 -10.627 1.00 0.00 H new ATOM 989 N LYS A 66 -27.416 -19.198 -9.847 1.00 0.00 N ATOM 990 CA LYS A 66 -26.303 -18.311 -9.529 1.00 0.00 C ATOM 991 C LYS A 66 -26.466 -16.963 -10.225 1.00 0.00 C ATOM 992 O LYS A 66 -27.134 -16.861 -11.254 1.00 0.00 O ATOM 993 CB LYS A 66 -24.978 -18.953 -9.943 1.00 0.00 C ATOM 994 CG LYS A 66 -24.698 -20.274 -9.247 1.00 0.00 C ATOM 995 CD LYS A 66 -23.771 -21.153 -10.070 1.00 0.00 C ATOM 996 CE LYS A 66 -23.352 -22.396 -9.300 1.00 0.00 C ATOM 997 NZ LYS A 66 -22.281 -22.100 -8.309 1.00 0.00 N ATOM 0 H LYS A 66 -27.739 -19.139 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 66 -26.299 -18.146 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -24.983 -19.114 -11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -24.165 -18.259 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.250 -20.084 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -25.637 -20.799 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -24.271 -21.447 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -22.886 -20.584 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -24.218 -22.813 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.000 -23.155 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.444 -22.680 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.027 -21.093 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.623 -22.321 -7.352 1.00 0.00 H new ATOM 1011 N CYS A 67 -25.851 -15.931 -9.657 1.00 0.00 N ATOM 1012 CA CYS A 67 -25.927 -14.590 -10.222 1.00 0.00 C ATOM 1013 C CYS A 67 -24.746 -14.323 -11.150 1.00 0.00 C ATOM 1014 O CYS A 67 -23.651 -14.847 -10.943 1.00 0.00 O ATOM 1015 CB CYS A 67 -25.958 -13.544 -9.105 1.00 0.00 C ATOM 1016 SG CYS A 67 -26.355 -11.860 -9.675 1.00 0.00 S ATOM 0 H CYS A 67 -25.294 -15.998 -8.805 1.00 0.00 H new ATOM 0 HA CYS A 67 -26.847 -14.519 -10.803 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -26.693 -13.846 -8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -24.988 -13.529 -8.609 1.00 0.00 H new ATOM 0 HG CYS A 67 -26.832 -11.167 -8.684 1.00 0.00 H new ATOM 1021 N GLN A 68 -24.976 -13.506 -12.173 1.00 0.00 N ATOM 1022 CA GLN A 68 -23.931 -13.170 -13.133 1.00 0.00 C ATOM 1023 C GLN A 68 -22.967 -12.142 -12.550 1.00 0.00 C ATOM 1024 O GLN A 68 -21.781 -12.422 -12.370 1.00 0.00 O ATOM 1025 CB GLN A 68 -24.549 -12.633 -14.424 1.00 0.00 C ATOM 1026 CG GLN A 68 -25.187 -13.710 -15.287 1.00 0.00 C ATOM 1027 CD GLN A 68 -26.571 -14.099 -14.806 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -26.718 -14.805 -13.808 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -27.596 -13.640 -15.515 1.00 0.00 N ATOM 0 H GLN A 68 -25.877 -13.065 -12.358 1.00 0.00 H new ATOM 0 HA GLN A 68 -23.372 -14.079 -13.357 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -25.303 -11.886 -14.173 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -23.777 -12.125 -15.003 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -25.250 -13.356 -16.316 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -24.547 -14.592 -15.293 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -27.429 -13.058 -16.336 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -28.551 -13.870 -15.239 1.00 0.00 H new ATOM 1038 N ILE A 69 -23.483 -10.953 -12.259 1.00 0.00 N ATOM 1039 CA ILE A 69 -22.667 -9.884 -11.697 1.00 0.00 C ATOM 1040 C ILE A 69 -21.823 -10.391 -10.533 1.00 0.00 C ATOM 1041 O ILE A 69 -20.594 -10.408 -10.604 1.00 0.00 O ATOM 1042 CB ILE A 69 -23.536 -8.708 -11.212 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -24.392 -8.171 -12.361 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -22.661 -7.605 -10.637 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -25.712 -7.586 -11.909 1.00 0.00 C ATOM 0 H ILE A 69 -24.462 -10.706 -12.403 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.011 -9.536 -12.494 1.00 0.00 H new ATOM 0 HB ILE A 69 -24.200 -9.066 -10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -23.829 -7.406 -12.896 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -24.585 -8.978 -13.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -23.289 -6.781 -10.299 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.090 -7.995 -9.795 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -21.976 -7.247 -11.405 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.266 -7.225 -12.776 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.295 -8.354 -11.400 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.528 -6.757 -11.225 1.00 0.00 H new ATOM 1057 N CYS A 70 -22.490 -10.805 -9.461 1.00 0.00 N ATOM 1058 CA CYS A 70 -21.803 -11.314 -8.281 1.00 0.00 C ATOM 1059 C CYS A 70 -21.871 -12.838 -8.227 1.00 0.00 C ATOM 1060 O CYS A 70 -22.795 -13.462 -8.749 1.00 0.00 O ATOM 1061 CB CYS A 70 -22.417 -10.721 -7.011 1.00 0.00 C ATOM 1062 SG CYS A 70 -24.106 -11.305 -6.658 1.00 0.00 S ATOM 0 H CYS A 70 -23.507 -10.798 -9.386 1.00 0.00 H new ATOM 0 HA CYS A 70 -20.757 -11.016 -8.344 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -21.776 -10.963 -6.163 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -22.431 -9.635 -7.100 1.00 0.00 H new ATOM 0 HG CYS A 70 -24.757 -11.449 -7.774 1.00 0.00 H new ATOM 1067 N PRO A 71 -20.869 -13.452 -7.580 1.00 0.00 N ATOM 1068 CA PRO A 71 -20.792 -14.910 -7.442 1.00 0.00 C ATOM 1069 C PRO A 71 -21.864 -15.460 -6.508 1.00 0.00 C ATOM 1070 O PRO A 71 -21.907 -16.661 -6.236 1.00 0.00 O ATOM 1071 CB PRO A 71 -19.399 -15.137 -6.851 1.00 0.00 C ATOM 1072 CG PRO A 71 -19.077 -13.867 -6.141 1.00 0.00 C ATOM 1073 CD PRO A 71 -19.734 -12.771 -6.934 1.00 0.00 C ATOM 0 HA PRO A 71 -20.954 -15.419 -8.392 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.393 -15.986 -6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.668 -15.351 -7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.451 -13.886 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -17.999 -13.715 -6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.067 -11.955 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -19.052 -12.342 -7.668 1.00 0.00 H new ATOM 1081 N TYR A 72 -22.727 -14.577 -6.019 1.00 0.00 N ATOM 1082 CA TYR A 72 -23.797 -14.975 -5.113 1.00 0.00 C ATOM 1083 C TYR A 72 -24.509 -16.224 -5.625 1.00 0.00 C ATOM 1084 O TYR A 72 -24.414 -16.566 -6.804 1.00 0.00 O ATOM 1085 CB TYR A 72 -24.803 -13.834 -4.945 1.00 0.00 C ATOM 1086 CG TYR A 72 -25.984 -14.192 -4.072 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -25.872 -14.197 -2.687 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -27.211 -14.525 -4.631 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -26.948 -14.523 -1.884 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -28.293 -14.852 -3.836 1.00 0.00 C ATOM 1091 CZ TYR A 72 -28.157 -14.849 -2.464 1.00 0.00 C ATOM 1092 OH TYR A 72 -29.232 -15.175 -1.669 1.00 0.00 O ATOM 0 H TYR A 72 -22.706 -13.580 -6.235 1.00 0.00 H new ATOM 0 HA TYR A 72 -23.352 -15.204 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -24.293 -12.971 -4.516 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -25.166 -13.533 -5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -24.927 -13.942 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -27.321 -14.528 -5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -26.844 -14.523 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -29.240 -15.109 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 72 -30.007 -15.378 -2.234 1.00 0.00 H new ATOM 1102 N ALA A 73 -25.221 -16.900 -4.730 1.00 0.00 N ATOM 1103 CA ALA A 73 -25.951 -18.109 -5.091 1.00 0.00 C ATOM 1104 C ALA A 73 -27.162 -18.310 -4.186 1.00 0.00 C ATOM 1105 O ALA A 73 -27.123 -17.982 -3.000 1.00 0.00 O ATOM 1106 CB ALA A 73 -25.033 -19.320 -5.024 1.00 0.00 C ATOM 0 H ALA A 73 -25.308 -16.631 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 73 -26.310 -17.995 -6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -25.592 -20.216 -5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -24.203 -19.186 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -24.646 -19.428 -4.011 1.00 0.00 H new ATOM 1112 N SER A 74 -28.236 -18.850 -4.753 1.00 0.00 N ATOM 1113 CA SER A 74 -29.460 -19.090 -3.997 1.00 0.00 C ATOM 1114 C SER A 74 -30.118 -20.397 -4.430 1.00 0.00 C ATOM 1115 O SER A 74 -29.855 -20.906 -5.520 1.00 0.00 O ATOM 1116 CB SER A 74 -30.437 -17.928 -4.185 1.00 0.00 C ATOM 1117 OG SER A 74 -30.784 -17.769 -5.550 1.00 0.00 O ATOM 0 H SER A 74 -28.284 -19.130 -5.733 1.00 0.00 H new ATOM 0 HA SER A 74 -29.197 -19.167 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 74 -31.337 -18.106 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.989 -17.008 -3.811 1.00 0.00 H new ATOM 0 HG SER A 74 -31.718 -18.035 -5.683 1.00 0.00 H new ATOM 1123 N ARG A 75 -30.975 -20.934 -3.568 1.00 0.00 N ATOM 1124 CA ARG A 75 -31.670 -22.182 -3.860 1.00 0.00 C ATOM 1125 C ARG A 75 -32.993 -21.914 -4.570 1.00 0.00 C ATOM 1126 O ARG A 75 -33.267 -22.479 -5.628 1.00 0.00 O ATOM 1127 CB ARG A 75 -31.921 -22.965 -2.569 1.00 0.00 C ATOM 1128 CG ARG A 75 -30.760 -23.857 -2.163 1.00 0.00 C ATOM 1129 CD ARG A 75 -31.065 -24.619 -0.883 1.00 0.00 C ATOM 1130 NE ARG A 75 -30.658 -23.876 0.307 1.00 0.00 N ATOM 1131 CZ ARG A 75 -29.409 -23.840 0.759 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -28.451 -24.501 0.124 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -29.117 -23.141 1.849 1.00 0.00 N ATOM 0 H ARG A 75 -31.205 -20.525 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 75 -31.037 -22.775 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -32.128 -22.262 -1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -32.813 -23.578 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -30.544 -24.563 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -29.865 -23.250 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -32.133 -24.828 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -30.552 -25.581 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 75 -31.371 -23.357 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -28.672 -25.039 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.493 -24.471 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -29.852 -22.631 2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.158 -23.114 2.196 1.00 0.00 H new ATOM 1147 N ASN A 76 -33.812 -21.049 -3.980 1.00 0.00 N ATOM 1148 CA ASN A 76 -35.107 -20.707 -4.556 1.00 0.00 C ATOM 1149 C ASN A 76 -34.939 -19.813 -5.780 1.00 0.00 C ATOM 1150 O ASN A 76 -33.837 -19.354 -6.080 1.00 0.00 O ATOM 1151 CB ASN A 76 -35.982 -20.006 -3.515 1.00 0.00 C ATOM 1152 CG ASN A 76 -37.461 -20.260 -3.737 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -38.191 -19.380 -4.192 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -37.908 -21.468 -3.415 1.00 0.00 N ATOM 0 H ASN A 76 -33.601 -20.572 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 76 -35.594 -21.631 -4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -35.703 -20.350 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -35.792 -18.933 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -38.894 -21.698 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -37.266 -22.166 -3.041 1.00 0.00 H new ATOM 1161 N SER A 77 -36.040 -19.569 -6.484 1.00 0.00 N ATOM 1162 CA SER A 77 -36.014 -18.732 -7.678 1.00 0.00 C ATOM 1163 C SER A 77 -36.295 -17.275 -7.326 1.00 0.00 C ATOM 1164 O SER A 77 -35.613 -16.367 -7.802 1.00 0.00 O ATOM 1165 CB SER A 77 -37.042 -19.230 -8.697 1.00 0.00 C ATOM 1166 OG SER A 77 -36.496 -20.251 -9.514 1.00 0.00 O ATOM 0 H SER A 77 -36.961 -19.939 -6.248 1.00 0.00 H new ATOM 0 HA SER A 77 -35.018 -18.796 -8.116 1.00 0.00 H new ATOM 0 HB2 SER A 77 -37.922 -19.608 -8.176 1.00 0.00 H new ATOM 0 HB3 SER A 77 -37.373 -18.399 -9.320 1.00 0.00 H new ATOM 0 HG SER A 77 -35.713 -20.640 -9.071 1.00 0.00 H new ATOM 1172 N SER A 78 -37.305 -17.059 -6.489 1.00 0.00 N ATOM 1173 CA SER A 78 -37.680 -15.712 -6.075 1.00 0.00 C ATOM 1174 C SER A 78 -36.509 -15.006 -5.396 1.00 0.00 C ATOM 1175 O SER A 78 -36.098 -13.924 -5.811 1.00 0.00 O ATOM 1176 CB SER A 78 -38.879 -15.762 -5.127 1.00 0.00 C ATOM 1177 OG SER A 78 -39.368 -14.460 -4.853 1.00 0.00 O ATOM 0 H SER A 78 -37.878 -17.799 -6.084 1.00 0.00 H new ATOM 0 HA SER A 78 -37.954 -15.148 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 78 -39.671 -16.366 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 78 -38.590 -16.249 -4.196 1.00 0.00 H new ATOM 0 HG SER A 78 -40.135 -14.520 -4.246 1.00 0.00 H new ATOM 1183 N GLN A 79 -35.979 -15.630 -4.349 1.00 0.00 N ATOM 1184 CA GLN A 79 -34.856 -15.062 -3.611 1.00 0.00 C ATOM 1185 C GLN A 79 -33.878 -14.371 -4.555 1.00 0.00 C ATOM 1186 O GLN A 79 -33.450 -13.243 -4.307 1.00 0.00 O ATOM 1187 CB GLN A 79 -34.135 -16.154 -2.819 1.00 0.00 C ATOM 1188 CG GLN A 79 -34.833 -16.526 -1.521 1.00 0.00 C ATOM 1189 CD GLN A 79 -34.116 -17.630 -0.768 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -34.424 -18.810 -0.933 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -33.153 -17.250 0.064 1.00 0.00 N ATOM 0 H GLN A 79 -36.308 -16.527 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 79 -35.248 -14.319 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -34.046 -17.044 -3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -33.122 -15.820 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -34.903 -15.644 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -35.853 -16.843 -1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -32.931 -16.260 0.169 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -32.635 -17.948 0.598 1.00 0.00 H new ATOM 1200 N LEU A 80 -33.526 -15.055 -5.638 1.00 0.00 N ATOM 1201 CA LEU A 80 -32.597 -14.508 -6.621 1.00 0.00 C ATOM 1202 C LEU A 80 -33.161 -13.242 -7.257 1.00 0.00 C ATOM 1203 O LEU A 80 -32.449 -12.252 -7.435 1.00 0.00 O ATOM 1204 CB LEU A 80 -32.297 -15.547 -7.703 1.00 0.00 C ATOM 1205 CG LEU A 80 -31.297 -15.125 -8.780 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -29.905 -14.976 -8.186 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -31.287 -16.130 -9.922 1.00 0.00 C ATOM 0 H LEU A 80 -33.870 -15.990 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 80 -31.671 -14.252 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -31.920 -16.448 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -33.234 -15.815 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 80 -31.606 -14.158 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -29.206 -14.675 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.923 -14.218 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -29.587 -15.928 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -30.570 -15.813 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -31.003 -17.111 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -32.281 -16.187 -10.365 1.00 0.00 H new ATOM 1219 N THR A 81 -34.445 -13.278 -7.597 1.00 0.00 N ATOM 1220 CA THR A 81 -35.106 -12.134 -8.212 1.00 0.00 C ATOM 1221 C THR A 81 -34.942 -10.880 -7.360 1.00 0.00 C ATOM 1222 O THR A 81 -34.476 -9.847 -7.841 1.00 0.00 O ATOM 1223 CB THR A 81 -36.607 -12.401 -8.428 1.00 0.00 C ATOM 1224 OG1 THR A 81 -36.785 -13.539 -9.279 1.00 0.00 O ATOM 1225 CG2 THR A 81 -37.289 -11.189 -9.045 1.00 0.00 C ATOM 0 H THR A 81 -35.049 -14.088 -7.457 1.00 0.00 H new ATOM 0 HA THR A 81 -34.630 -11.977 -9.180 1.00 0.00 H new ATOM 0 HB THR A 81 -37.061 -12.599 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 81 -37.742 -13.703 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 81 -38.348 -11.401 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 81 -37.177 -10.332 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 81 -36.831 -10.965 -10.008 1.00 0.00 H new ATOM 1233 N VAL A 82 -35.326 -10.978 -6.092 1.00 0.00 N ATOM 1234 CA VAL A 82 -35.220 -9.852 -5.172 1.00 0.00 C ATOM 1235 C VAL A 82 -33.770 -9.407 -5.013 1.00 0.00 C ATOM 1236 O VAL A 82 -33.481 -8.212 -4.940 1.00 0.00 O ATOM 1237 CB VAL A 82 -35.792 -10.204 -3.785 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -35.639 -9.030 -2.831 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -37.250 -10.622 -3.901 1.00 0.00 C ATOM 0 H VAL A 82 -35.714 -11.826 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 82 -35.803 -9.037 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 82 -35.228 -11.045 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -36.048 -9.297 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -34.583 -8.782 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -36.176 -8.168 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -37.638 -10.867 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -37.831 -9.803 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -37.328 -11.496 -4.548 1.00 0.00 H new ATOM 1249 N HIS A 83 -32.862 -10.376 -4.961 1.00 0.00 N ATOM 1250 CA HIS A 83 -31.440 -10.084 -4.812 1.00 0.00 C ATOM 1251 C HIS A 83 -30.959 -9.149 -5.917 1.00 0.00 C ATOM 1252 O HIS A 83 -30.406 -8.082 -5.646 1.00 0.00 O ATOM 1253 CB HIS A 83 -30.627 -11.379 -4.834 1.00 0.00 C ATOM 1254 CG HIS A 83 -29.239 -11.205 -5.369 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -28.146 -10.969 -4.562 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -28.769 -11.237 -6.638 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -27.063 -10.860 -5.312 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -27.414 -11.020 -6.575 1.00 0.00 N ATOM 0 H HIS A 83 -33.085 -11.370 -5.020 1.00 0.00 H new ATOM 0 HA HIS A 83 -31.295 -9.589 -3.852 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -30.570 -11.780 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -31.151 -12.117 -5.440 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -28.170 -10.891 -3.545 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -29.351 -11.402 -7.533 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -26.062 -10.672 -4.953 1.00 0.00 H new ATOM 1266 N LEU A 84 -31.172 -9.555 -7.164 1.00 0.00 N ATOM 1267 CA LEU A 84 -30.760 -8.754 -8.311 1.00 0.00 C ATOM 1268 C LEU A 84 -30.982 -7.269 -8.046 1.00 0.00 C ATOM 1269 O LEU A 84 -30.139 -6.436 -8.380 1.00 0.00 O ATOM 1270 CB LEU A 84 -31.532 -9.182 -9.561 1.00 0.00 C ATOM 1271 CG LEU A 84 -31.080 -10.488 -10.215 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -32.088 -10.938 -11.261 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -29.701 -10.323 -10.837 1.00 0.00 C ATOM 0 H LEU A 84 -31.628 -10.435 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 84 -29.695 -8.920 -8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -32.586 -9.276 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -31.458 -8.384 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 84 -31.020 -11.256 -9.444 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -31.749 -11.869 -11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -33.057 -11.097 -10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -32.181 -10.171 -12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -29.395 -11.262 -11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -29.735 -9.541 -11.595 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -28.984 -10.048 -10.064 1.00 0.00 H new ATOM 1285 N ARG A 85 -32.120 -6.944 -7.442 1.00 0.00 N ATOM 1286 CA ARG A 85 -32.452 -5.559 -7.130 1.00 0.00 C ATOM 1287 C ARG A 85 -31.236 -4.819 -6.582 1.00 0.00 C ATOM 1288 O ARG A 85 -30.938 -3.700 -7.000 1.00 0.00 O ATOM 1289 CB ARG A 85 -33.597 -5.502 -6.117 1.00 0.00 C ATOM 1290 CG ARG A 85 -34.878 -6.157 -6.607 1.00 0.00 C ATOM 1291 CD ARG A 85 -36.092 -5.639 -5.853 1.00 0.00 C ATOM 1292 NE ARG A 85 -36.031 -5.960 -4.430 1.00 0.00 N ATOM 1293 CZ ARG A 85 -37.011 -5.693 -3.573 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -38.121 -5.103 -3.994 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -36.881 -6.016 -2.293 1.00 0.00 N ATOM 0 H ARG A 85 -32.828 -7.621 -7.159 1.00 0.00 H new ATOM 0 HA ARG A 85 -32.768 -5.071 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -33.280 -5.989 -5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -33.803 -4.460 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -35.001 -5.965 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -34.806 -7.238 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -36.162 -4.558 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -36.996 -6.069 -6.283 1.00 0.00 H new ATOM 0 HE ARG A 85 -35.190 -6.414 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -38.224 -4.853 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -38.872 -4.899 -3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -36.028 -6.470 -1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -37.634 -5.811 -1.636 1.00 0.00 H new ATOM 1309 N SER A 86 -30.538 -5.450 -5.645 1.00 0.00 N ATOM 1310 CA SER A 86 -29.356 -4.850 -5.036 1.00 0.00 C ATOM 1311 C SER A 86 -28.507 -4.139 -6.085 1.00 0.00 C ATOM 1312 O SER A 86 -28.088 -2.998 -5.893 1.00 0.00 O ATOM 1313 CB SER A 86 -28.523 -5.918 -4.326 1.00 0.00 C ATOM 1314 OG SER A 86 -27.448 -5.335 -3.611 1.00 0.00 O ATOM 0 H SER A 86 -30.770 -6.378 -5.290 1.00 0.00 H new ATOM 0 HA SER A 86 -29.689 -4.114 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 86 -29.156 -6.481 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 86 -28.135 -6.627 -5.058 1.00 0.00 H new ATOM 0 HG SER A 86 -26.932 -6.039 -3.165 1.00 0.00 H new ATOM 1320 N HIS A 87 -28.256 -4.824 -7.197 1.00 0.00 N ATOM 1321 CA HIS A 87 -27.456 -4.259 -8.278 1.00 0.00 C ATOM 1322 C HIS A 87 -28.172 -3.075 -8.922 1.00 0.00 C ATOM 1323 O HIS A 87 -28.774 -3.204 -9.988 1.00 0.00 O ATOM 1324 CB HIS A 87 -27.161 -5.326 -9.333 1.00 0.00 C ATOM 1325 CG HIS A 87 -26.590 -6.589 -8.765 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -25.409 -6.627 -8.055 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -27.046 -7.862 -8.803 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -25.162 -7.871 -7.683 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -26.141 -8.640 -8.124 1.00 0.00 N ATOM 0 H HIS A 87 -28.595 -5.770 -7.373 1.00 0.00 H new ATOM 0 HA HIS A 87 -26.515 -3.906 -7.855 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -28.082 -5.561 -9.867 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -26.463 -4.919 -10.065 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -24.818 -5.821 -7.849 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -27.953 -8.203 -9.279 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -24.305 -8.202 -7.115 1.00 0.00 H new