USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=28 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 76 ASN : amide:sc= -2.55 K(o=-3.1,f=-4.3!) USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= -0.523 F(o=-4.8,f=-3.1) USER MOD Set 2.1: A 67 CYS SG : rot 157:sc= -0.0216 USER MOD Set 2.2: A 70 CYS SG : rot -31:sc= -2.87 USER MOD Set 2.3: A 83 HIS : no HE2:sc= -3.23! X(o=-7.5!,f=-7.5) USER MOD Set 2.4: A 87 HIS : no HD1:sc= -1.38 X(o=-7.5,f=-7.7) USER MOD Set 3.1: A 39 CYS SG : rot -144:sc= -0.302 USER MOD Set 3.2: A 42 CYS SG : rot -140:sc= -2.36! USER MOD Set 3.3: A 55 HIS : no HD1:sc= -0.832 K(o=-5.9,f=-6.6) USER MOD Set 3.4: A 59 HIS :FLIP no HD1:sc= -2.43 F(o=-6.8!,f=-5.9) USER MOD Set 4.1: A 11 CYS SG : rot 110:sc= -4.76! USER MOD Set 4.2: A 14 CYS SG : rot -80:sc= -0.986 USER MOD Set 4.3: A 27 HIS : no HD1:sc= -5.15! C(o=-18!,f=-22!) USER MOD Set 4.4: A 28 MET CE :methyl 143:sc= -2.72! (180deg=-2.82!) USER MOD Set 4.5: A 31 HIS :FLIP no HD1:sc= -4.57! C(o=-21!,f=-18!) 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 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0227 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00835) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 165:sc= 0 USER MOD Single : A 49 SER OG : rot -22:sc= 1.6 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0908 X(o=0.091,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00106 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 67:sc= 0.168 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 19.189 -11.511 4.870 1.00 0.00 N ATOM 81 CA HIS A 9 18.021 -11.142 4.077 1.00 0.00 C ATOM 82 C HIS A 9 17.799 -12.136 2.941 1.00 0.00 C ATOM 83 O HIS A 9 18.389 -12.012 1.868 1.00 0.00 O ATOM 84 CB HIS A 9 18.189 -9.732 3.511 1.00 0.00 C ATOM 85 CG HIS A 9 18.740 -8.751 4.499 1.00 0.00 C ATOM 86 ND1 HIS A 9 18.028 -8.303 5.592 1.00 0.00 N ATOM 87 CD2 HIS A 9 19.943 -8.132 4.556 1.00 0.00 C ATOM 88 CE1 HIS A 9 18.768 -7.450 6.277 1.00 0.00 C ATOM 89 NE2 HIS A 9 19.935 -7.329 5.670 1.00 0.00 N ATOM 0 HA HIS A 9 17.148 -11.163 4.729 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.850 -9.773 2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.222 -9.374 3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 9 20.757 -8.248 3.856 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.470 -6.938 7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 9 20.705 -6.736 5.979 1.00 0.00 H new ATOM 97 N LYS A 10 16.944 -13.123 3.185 1.00 0.00 N ATOM 98 CA LYS A 10 16.642 -14.139 2.183 1.00 0.00 C ATOM 99 C LYS A 10 15.229 -13.963 1.637 1.00 0.00 C ATOM 100 O LYS A 10 14.248 -14.110 2.366 1.00 0.00 O ATOM 101 CB LYS A 10 16.797 -15.539 2.784 1.00 0.00 C ATOM 102 CG LYS A 10 16.342 -16.652 1.856 1.00 0.00 C ATOM 103 CD LYS A 10 16.564 -18.021 2.478 1.00 0.00 C ATOM 104 CE LYS A 10 16.429 -19.130 1.446 1.00 0.00 C ATOM 105 NZ LYS A 10 17.730 -19.440 0.791 1.00 0.00 N ATOM 0 H LYS A 10 16.448 -13.241 4.068 1.00 0.00 H new ATOM 0 HA LYS A 10 17.347 -14.022 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.843 -15.700 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.225 -15.593 3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.285 -16.524 1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.886 -16.587 0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.556 -18.061 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.843 -18.179 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.041 -20.028 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.702 -18.835 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.596 -20.201 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.088 -18.590 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.416 -19.746 1.510 1.00 0.00 H new ATOM 119 N CYS A 11 15.132 -13.646 0.350 1.00 0.00 N ATOM 120 CA CYS A 11 13.839 -13.450 -0.294 1.00 0.00 C ATOM 121 C CYS A 11 13.158 -14.789 -0.565 1.00 0.00 C ATOM 122 O CYS A 11 12.711 -15.054 -1.681 1.00 0.00 O ATOM 123 CB CYS A 11 14.011 -12.679 -1.604 1.00 0.00 C ATOM 124 SG CYS A 11 12.576 -11.652 -2.056 1.00 0.00 S ATOM 0 H CYS A 11 15.934 -13.519 -0.267 1.00 0.00 H new ATOM 0 HA CYS A 11 13.208 -12.871 0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 11 14.891 -12.040 -1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.204 -13.389 -2.408 1.00 0.00 H new ATOM 0 HG CYS A 11 12.884 -10.396 -1.929 1.00 0.00 H new ATOM 129 N GLU A 12 13.083 -15.627 0.463 1.00 0.00 N ATOM 130 CA GLU A 12 12.457 -16.938 0.336 1.00 0.00 C ATOM 131 C GLU A 12 11.255 -16.877 -0.602 1.00 0.00 C ATOM 132 O GLU A 12 11.042 -17.776 -1.416 1.00 0.00 O ATOM 133 CB GLU A 12 12.021 -17.456 1.708 1.00 0.00 C ATOM 134 CG GLU A 12 11.184 -18.722 1.643 1.00 0.00 C ATOM 135 CD GLU A 12 11.981 -19.926 1.182 1.00 0.00 C ATOM 136 OE1 GLU A 12 12.172 -20.079 -0.043 1.00 0.00 O ATOM 137 OE2 GLU A 12 12.415 -20.716 2.046 1.00 0.00 O ATOM 0 H GLU A 12 13.448 -15.422 1.393 1.00 0.00 H new ATOM 0 HA GLU A 12 13.192 -17.624 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.907 -17.647 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.450 -16.679 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.763 -18.925 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.346 -18.564 0.964 1.00 0.00 H new ATOM 144 N VAL A 13 10.470 -15.811 -0.481 1.00 0.00 N ATOM 145 CA VAL A 13 9.289 -15.632 -1.318 1.00 0.00 C ATOM 146 C VAL A 13 9.529 -16.160 -2.728 1.00 0.00 C ATOM 147 O VAL A 13 8.695 -16.873 -3.286 1.00 0.00 O ATOM 148 CB VAL A 13 8.879 -14.149 -1.399 1.00 0.00 C ATOM 149 CG1 VAL A 13 8.312 -13.678 -0.069 1.00 0.00 C ATOM 150 CG2 VAL A 13 10.064 -13.291 -1.817 1.00 0.00 C ATOM 0 H VAL A 13 10.630 -15.058 0.188 1.00 0.00 H new ATOM 0 HA VAL A 13 8.483 -16.200 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 13 8.100 -14.046 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.028 -12.628 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.435 -14.274 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.066 -13.794 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.757 -12.247 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.866 -13.397 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.420 -13.614 -2.795 1.00 0.00 H new ATOM 160 N CYS A 14 10.675 -15.805 -3.299 1.00 0.00 N ATOM 161 CA CYS A 14 11.027 -16.242 -4.645 1.00 0.00 C ATOM 162 C CYS A 14 12.235 -17.173 -4.616 1.00 0.00 C ATOM 163 O CYS A 14 12.296 -18.152 -5.358 1.00 0.00 O ATOM 164 CB CYS A 14 11.321 -15.034 -5.536 1.00 0.00 C ATOM 165 SG CYS A 14 12.860 -14.155 -5.113 1.00 0.00 S ATOM 0 H CYS A 14 11.376 -15.216 -2.850 1.00 0.00 H new ATOM 0 HA CYS A 14 10.179 -16.789 -5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.378 -15.366 -6.573 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.487 -14.336 -5.470 1.00 0.00 H new ATOM 0 HG CYS A 14 12.646 -13.367 -4.102 1.00 0.00 H new ATOM 170 N GLY A 15 13.196 -16.859 -3.752 1.00 0.00 N ATOM 171 CA GLY A 15 14.390 -17.677 -3.642 1.00 0.00 C ATOM 172 C GLY A 15 15.652 -16.910 -3.983 1.00 0.00 C ATOM 173 O GLY A 15 16.598 -17.469 -4.539 1.00 0.00 O ATOM 0 H GLY A 15 13.169 -16.053 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.468 -18.066 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.300 -18.536 -4.306 1.00 0.00 H new ATOM 177 N LYS A 16 15.668 -15.623 -3.651 1.00 0.00 N ATOM 178 CA LYS A 16 16.823 -14.776 -3.925 1.00 0.00 C ATOM 179 C LYS A 16 17.571 -14.442 -2.638 1.00 0.00 C ATOM 180 O LYS A 16 16.985 -14.428 -1.555 1.00 0.00 O ATOM 181 CB LYS A 16 16.381 -13.486 -4.620 1.00 0.00 C ATOM 182 CG LYS A 16 17.428 -12.911 -5.558 1.00 0.00 C ATOM 183 CD LYS A 16 16.790 -12.147 -6.705 1.00 0.00 C ATOM 184 CE LYS A 16 17.838 -11.479 -7.582 1.00 0.00 C ATOM 185 NZ LYS A 16 17.222 -10.747 -8.724 1.00 0.00 N ATOM 0 H LYS A 16 14.894 -15.144 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 16 17.496 -15.325 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.468 -13.681 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.135 -12.741 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.091 -12.248 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.044 -13.718 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.190 -12.829 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.112 -11.392 -6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.426 -10.785 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.527 -12.233 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.969 -10.306 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.682 -11.413 -9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.584 -10.010 -8.361 1.00 0.00 H new ATOM 199 N CYS A 17 18.865 -14.174 -2.765 1.00 0.00 N ATOM 200 CA CYS A 17 19.693 -13.840 -1.611 1.00 0.00 C ATOM 201 C CYS A 17 20.525 -12.590 -1.882 1.00 0.00 C ATOM 202 O CYS A 17 21.199 -12.491 -2.907 1.00 0.00 O ATOM 203 CB CYS A 17 20.611 -15.011 -1.259 1.00 0.00 C ATOM 204 SG CYS A 17 19.761 -16.411 -0.492 1.00 0.00 S ATOM 0 H CYS A 17 19.364 -14.181 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 17 19.032 -13.639 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 17 21.108 -15.354 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 17 21.390 -14.658 -0.583 1.00 0.00 H new ATOM 0 HG CYS A 17 20.620 -17.352 -0.233 1.00 0.00 H new ATOM 210 N PHE A 18 20.470 -11.637 -0.958 1.00 0.00 N ATOM 211 CA PHE A 18 21.216 -10.392 -1.098 1.00 0.00 C ATOM 212 C PHE A 18 21.670 -9.874 0.263 1.00 0.00 C ATOM 213 O PHE A 18 21.300 -10.420 1.303 1.00 0.00 O ATOM 214 CB PHE A 18 20.359 -9.336 -1.799 1.00 0.00 C ATOM 215 CG PHE A 18 18.883 -9.543 -1.615 1.00 0.00 C ATOM 216 CD1 PHE A 18 18.330 -9.596 -0.346 1.00 0.00 C ATOM 217 CD2 PHE A 18 18.048 -9.686 -2.712 1.00 0.00 C ATOM 218 CE1 PHE A 18 16.972 -9.786 -0.173 1.00 0.00 C ATOM 219 CE2 PHE A 18 16.690 -9.877 -2.545 1.00 0.00 C ATOM 220 CZ PHE A 18 16.151 -9.928 -1.275 1.00 0.00 C ATOM 0 H PHE A 18 19.916 -11.703 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 18 22.100 -10.593 -1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 18 20.629 -8.350 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 18 20.589 -9.342 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.968 -9.488 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.464 -9.648 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 18 16.553 -9.823 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.050 -9.986 -3.408 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.090 -10.079 -1.143 1.00 0.00 H new ATOM 230 N SER A 19 22.476 -8.817 0.249 1.00 0.00 N ATOM 231 CA SER A 19 22.985 -8.226 1.481 1.00 0.00 C ATOM 232 C SER A 19 22.786 -6.714 1.481 1.00 0.00 C ATOM 233 O SER A 19 23.530 -5.979 2.131 1.00 0.00 O ATOM 234 CB SER A 19 24.468 -8.557 1.655 1.00 0.00 C ATOM 235 OG SER A 19 24.640 -9.787 2.338 1.00 0.00 O ATOM 0 H SER A 19 22.791 -8.352 -0.603 1.00 0.00 H new ATOM 0 HA SER A 19 22.425 -8.648 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 19 24.949 -8.610 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 19 24.959 -7.758 2.210 1.00 0.00 H new ATOM 0 HG SER A 19 25.597 -9.976 2.435 1.00 0.00 H new ATOM 241 N ARG A 20 21.777 -6.256 0.748 1.00 0.00 N ATOM 242 CA ARG A 20 21.480 -4.831 0.662 1.00 0.00 C ATOM 243 C ARG A 20 19.976 -4.584 0.733 1.00 0.00 C ATOM 244 O ARG A 20 19.220 -5.037 -0.127 1.00 0.00 O ATOM 245 CB ARG A 20 22.043 -4.248 -0.636 1.00 0.00 C ATOM 246 CG ARG A 20 21.870 -5.162 -1.839 1.00 0.00 C ATOM 247 CD ARG A 20 23.011 -5.000 -2.830 1.00 0.00 C ATOM 248 NE ARG A 20 23.167 -6.175 -3.683 1.00 0.00 N ATOM 249 CZ ARG A 20 24.338 -6.595 -4.149 1.00 0.00 C ATOM 250 NH1 ARG A 20 25.449 -5.939 -3.847 1.00 0.00 N ATOM 251 NH2 ARG A 20 24.398 -7.674 -4.920 1.00 0.00 N ATOM 0 H ARG A 20 21.151 -6.851 0.205 1.00 0.00 H new ATOM 0 HA ARG A 20 21.953 -4.335 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.552 -3.296 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.104 -4.037 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.821 -6.199 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.924 -4.940 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.830 -4.123 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.939 -4.820 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 20 22.331 -6.702 -3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 20 25.406 -5.109 -3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.347 -6.264 -4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.545 -8.181 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.297 -7.996 -5.278 1.00 0.00 H new ATOM 265 N LYS A 21 19.548 -3.862 1.763 1.00 0.00 N ATOM 266 CA LYS A 21 18.135 -3.553 1.947 1.00 0.00 C ATOM 267 C LYS A 21 17.584 -2.790 0.746 1.00 0.00 C ATOM 268 O LYS A 21 16.400 -2.891 0.425 1.00 0.00 O ATOM 269 CB LYS A 21 17.933 -2.732 3.222 1.00 0.00 C ATOM 270 CG LYS A 21 16.485 -2.351 3.478 1.00 0.00 C ATOM 271 CD LYS A 21 16.380 -1.065 4.280 1.00 0.00 C ATOM 272 CE LYS A 21 14.930 -0.690 4.545 1.00 0.00 C ATOM 273 NZ LYS A 21 14.813 0.387 5.566 1.00 0.00 N ATOM 0 H LYS A 21 20.160 -3.480 2.484 1.00 0.00 H new ATOM 0 HA LYS A 21 17.592 -4.494 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.306 -3.301 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.533 -1.824 3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.966 -2.231 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.985 -3.157 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.906 -1.182 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.873 -0.257 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.464 -0.362 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.383 -1.571 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.809 0.614 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.235 0.065 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.313 1.236 5.234 1.00 0.00 H new ATOM 287 N ASP A 22 18.450 -2.029 0.087 1.00 0.00 N ATOM 288 CA ASP A 22 18.050 -1.251 -1.080 1.00 0.00 C ATOM 289 C ASP A 22 17.344 -2.133 -2.105 1.00 0.00 C ATOM 290 O ASP A 22 16.201 -1.872 -2.482 1.00 0.00 O ATOM 291 CB ASP A 22 19.270 -0.584 -1.718 1.00 0.00 C ATOM 292 CG ASP A 22 18.930 0.133 -3.009 1.00 0.00 C ATOM 293 OD1 ASP A 22 18.000 0.967 -2.998 1.00 0.00 O ATOM 294 OD2 ASP A 22 19.593 -0.139 -4.031 1.00 0.00 O ATOM 0 H ASP A 22 19.433 -1.934 0.341 1.00 0.00 H new ATOM 0 HA ASP A 22 17.354 -0.479 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 22 19.701 0.127 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 22 20.031 -1.339 -1.915 1.00 0.00 H new ATOM 299 N LYS A 23 18.031 -3.177 -2.553 1.00 0.00 N ATOM 300 CA LYS A 23 17.471 -4.099 -3.535 1.00 0.00 C ATOM 301 C LYS A 23 16.200 -4.754 -3.002 1.00 0.00 C ATOM 302 O LYS A 23 15.113 -4.558 -3.546 1.00 0.00 O ATOM 303 CB LYS A 23 18.497 -5.174 -3.900 1.00 0.00 C ATOM 304 CG LYS A 23 19.425 -4.769 -5.032 1.00 0.00 C ATOM 305 CD LYS A 23 19.869 -5.972 -5.847 1.00 0.00 C ATOM 306 CE LYS A 23 21.171 -5.697 -6.583 1.00 0.00 C ATOM 307 NZ LYS A 23 21.487 -6.767 -7.569 1.00 0.00 N ATOM 0 H LYS A 23 18.978 -3.407 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 23 17.218 -3.529 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 23 19.094 -5.409 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.971 -6.086 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.918 -4.055 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 23 20.299 -4.263 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.996 -6.832 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.092 -6.233 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 23 21.102 -4.738 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 23 21.985 -5.615 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 22.382 -6.543 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 21.578 -7.678 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.723 -6.829 -8.271 1.00 0.00 H new ATOM 321 N LEU A 24 16.344 -5.532 -1.935 1.00 0.00 N ATOM 322 CA LEU A 24 15.208 -6.216 -1.327 1.00 0.00 C ATOM 323 C LEU A 24 13.965 -5.331 -1.350 1.00 0.00 C ATOM 324 O LEU A 24 12.896 -5.754 -1.791 1.00 0.00 O ATOM 325 CB LEU A 24 15.537 -6.615 0.112 1.00 0.00 C ATOM 326 CG LEU A 24 14.388 -7.218 0.921 1.00 0.00 C ATOM 327 CD1 LEU A 24 13.930 -8.529 0.302 1.00 0.00 C ATOM 328 CD2 LEU A 24 14.808 -7.427 2.369 1.00 0.00 C ATOM 0 H LEU A 24 17.237 -5.705 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 24 15.003 -7.115 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.356 -7.334 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.901 -5.733 0.638 1.00 0.00 H new ATOM 0 HG LEU A 24 13.551 -6.520 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.112 -8.943 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.589 -8.350 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.761 -9.235 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.978 -7.857 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.661 -8.105 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.086 -6.469 2.809 1.00 0.00 H new ATOM 340 N LYS A 25 14.113 -4.100 -0.873 1.00 0.00 N ATOM 341 CA LYS A 25 13.005 -3.153 -0.841 1.00 0.00 C ATOM 342 C LYS A 25 12.142 -3.282 -2.092 1.00 0.00 C ATOM 343 O LYS A 25 10.979 -3.680 -2.020 1.00 0.00 O ATOM 344 CB LYS A 25 13.533 -1.722 -0.718 1.00 0.00 C ATOM 345 CG LYS A 25 12.440 -0.684 -0.529 1.00 0.00 C ATOM 346 CD LYS A 25 12.990 0.604 0.059 1.00 0.00 C ATOM 347 CE LYS A 25 11.887 1.454 0.671 1.00 0.00 C ATOM 348 NZ LYS A 25 11.528 0.993 2.041 1.00 0.00 N ATOM 0 H LYS A 25 14.990 -3.734 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 25 12.389 -3.382 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.222 -1.669 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.105 -1.476 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.967 -0.474 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.667 -1.084 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.734 0.369 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.499 1.172 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.210 2.494 0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.004 1.418 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.773 1.597 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.196 0.008 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.364 1.051 2.657 1.00 0.00 H new ATOM 362 N THR A 26 12.720 -2.945 -3.241 1.00 0.00 N ATOM 363 CA THR A 26 12.005 -3.023 -4.508 1.00 0.00 C ATOM 364 C THR A 26 11.763 -4.472 -4.914 1.00 0.00 C ATOM 365 O THR A 26 10.620 -4.897 -5.087 1.00 0.00 O ATOM 366 CB THR A 26 12.776 -2.309 -5.634 1.00 0.00 C ATOM 367 OG1 THR A 26 12.914 -0.917 -5.326 1.00 0.00 O ATOM 368 CG2 THR A 26 12.060 -2.470 -6.967 1.00 0.00 C ATOM 0 H THR A 26 13.682 -2.615 -3.319 1.00 0.00 H new ATOM 0 HA THR A 26 11.047 -2.524 -4.361 1.00 0.00 H new ATOM 0 HB THR A 26 13.764 -2.763 -5.713 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.407 -0.470 -6.046 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.623 -1.957 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.982 -3.529 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.061 -2.039 -6.898 1.00 0.00 H new ATOM 376 N HIS A 27 12.845 -5.229 -5.064 1.00 0.00 N ATOM 377 CA HIS A 27 12.750 -6.633 -5.449 1.00 0.00 C ATOM 378 C HIS A 27 11.484 -7.267 -4.881 1.00 0.00 C ATOM 379 O HIS A 27 10.873 -8.128 -5.512 1.00 0.00 O ATOM 380 CB HIS A 27 13.981 -7.401 -4.965 1.00 0.00 C ATOM 381 CG HIS A 27 13.963 -8.852 -5.332 1.00 0.00 C ATOM 382 ND1 HIS A 27 13.902 -9.298 -6.635 1.00 0.00 N ATOM 383 CD2 HIS A 27 14.002 -9.962 -4.558 1.00 0.00 C ATOM 384 CE1 HIS A 27 13.901 -10.619 -6.647 1.00 0.00 C ATOM 385 NE2 HIS A 27 13.962 -11.047 -5.398 1.00 0.00 N ATOM 0 H HIS A 27 13.798 -4.894 -4.925 1.00 0.00 H new ATOM 0 HA HIS A 27 12.704 -6.684 -6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.875 -6.940 -5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.053 -7.310 -3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.055 -9.989 -3.480 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.858 -11.243 -7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 27 13.977 -12.024 -5.106 1.00 0.00 H new ATOM 393 N MET A 28 11.097 -6.835 -3.685 1.00 0.00 N ATOM 394 CA MET A 28 9.904 -7.361 -3.032 1.00 0.00 C ATOM 395 C MET A 28 8.676 -7.182 -3.919 1.00 0.00 C ATOM 396 O MET A 28 8.007 -8.153 -4.272 1.00 0.00 O ATOM 397 CB MET A 28 9.683 -6.665 -1.688 1.00 0.00 C ATOM 398 CG MET A 28 10.682 -7.076 -0.619 1.00 0.00 C ATOM 399 SD MET A 28 10.081 -8.429 0.410 1.00 0.00 S ATOM 400 CE MET A 28 10.121 -9.786 -0.758 1.00 0.00 C ATOM 0 H MET A 28 11.592 -6.122 -3.149 1.00 0.00 H new ATOM 0 HA MET A 28 10.054 -8.427 -2.860 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.742 -5.586 -1.833 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.675 -6.885 -1.336 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.616 -7.374 -1.095 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.907 -6.216 0.013 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.428 -10.698 -0.246 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.129 -9.927 -1.187 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.831 -9.561 -1.554 1.00 0.00 H new ATOM 410 N ARG A 29 8.385 -5.935 -4.275 1.00 0.00 N ATOM 411 CA ARG A 29 7.237 -5.629 -5.119 1.00 0.00 C ATOM 412 C ARG A 29 6.044 -6.509 -4.755 1.00 0.00 C ATOM 413 O ARG A 29 5.174 -6.769 -5.587 1.00 0.00 O ATOM 414 CB ARG A 29 7.595 -5.823 -6.594 1.00 0.00 C ATOM 415 CG ARG A 29 8.416 -4.684 -7.176 1.00 0.00 C ATOM 416 CD ARG A 29 7.526 -3.606 -7.775 1.00 0.00 C ATOM 417 NE ARG A 29 6.257 -3.486 -7.063 1.00 0.00 N ATOM 418 CZ ARG A 29 5.515 -2.384 -7.064 1.00 0.00 C ATOM 419 NH1 ARG A 29 5.914 -1.312 -7.735 1.00 0.00 N ATOM 420 NH2 ARG A 29 4.371 -2.352 -6.392 1.00 0.00 N ATOM 0 H ARG A 29 8.929 -5.120 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 29 6.963 -4.587 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.151 -6.754 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.677 -5.930 -7.171 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.042 -4.249 -6.396 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.086 -5.072 -7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.048 -2.649 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.333 -3.836 -8.823 1.00 0.00 H new ATOM 0 HE ARG A 29 5.922 -4.292 -6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.793 -1.332 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.342 -0.467 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.061 -3.174 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.802 -1.505 -6.393 1.00 0.00 H new ATOM 434 N CYS A 30 6.012 -6.965 -3.507 1.00 0.00 N ATOM 435 CA CYS A 30 4.927 -7.817 -3.033 1.00 0.00 C ATOM 436 C CYS A 30 4.971 -9.182 -3.712 1.00 0.00 C ATOM 437 O CYS A 30 3.989 -9.620 -4.312 1.00 0.00 O ATOM 438 CB CYS A 30 3.576 -7.149 -3.290 1.00 0.00 C ATOM 439 SG CYS A 30 2.198 -7.899 -2.392 1.00 0.00 S ATOM 0 H CYS A 30 6.724 -6.759 -2.806 1.00 0.00 H new ATOM 0 HA CYS A 30 5.054 -7.961 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.645 -6.097 -3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.362 -7.186 -4.358 1.00 0.00 H new ATOM 0 HG CYS A 30 1.099 -7.263 -2.673 1.00 0.00 H new ATOM 445 N HIS A 31 6.117 -9.849 -3.614 1.00 0.00 N ATOM 446 CA HIS A 31 6.289 -11.165 -4.220 1.00 0.00 C ATOM 447 C HIS A 31 5.035 -12.014 -4.040 1.00 0.00 C ATOM 448 O HIS A 31 4.281 -12.236 -4.989 1.00 0.00 O ATOM 449 CB HIS A 31 7.494 -11.878 -3.606 1.00 0.00 C ATOM 450 CG HIS A 31 8.777 -11.622 -4.334 1.00 0.00 C ATOM 451 ND1 HIS A 31 9.972 -11.165 -3.891 1.00 0.00 N flip ATOM 452 CD2 HIS A 31 8.929 -11.835 -5.688 1.00 0.00 C flip ATOM 453 CE1 HIS A 31 10.815 -11.113 -4.973 1.00 0.00 C flip ATOM 454 NE2 HIS A 31 10.162 -11.523 -6.045 1.00 0.00 N flip ATOM 0 H HIS A 31 6.939 -9.500 -3.121 1.00 0.00 H new ATOM 0 HA HIS A 31 6.462 -11.027 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.604 -11.560 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.302 -12.951 -3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.160 -12.200 -6.353 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.845 -10.789 -4.951 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.545 -11.588 -6.988 1.00 0.00 H new ATOM 535 N TYR A 37 -4.114 -18.360 -1.186 1.00 0.00 N ATOM 536 CA TYR A 37 -5.085 -19.380 -1.567 1.00 0.00 C ATOM 537 C TYR A 37 -5.541 -19.186 -3.009 1.00 0.00 C ATOM 538 O TYR A 37 -6.385 -18.337 -3.298 1.00 0.00 O ATOM 539 CB TYR A 37 -6.292 -19.341 -0.628 1.00 0.00 C ATOM 540 CG TYR A 37 -5.931 -19.506 0.831 1.00 0.00 C ATOM 541 CD1 TYR A 37 -5.356 -20.683 1.295 1.00 0.00 C ATOM 542 CD2 TYR A 37 -6.164 -18.486 1.745 1.00 0.00 C ATOM 543 CE1 TYR A 37 -5.025 -20.839 2.627 1.00 0.00 C ATOM 544 CE2 TYR A 37 -5.835 -18.633 3.078 1.00 0.00 C ATOM 545 CZ TYR A 37 -5.266 -19.811 3.515 1.00 0.00 C ATOM 546 OH TYR A 37 -4.938 -19.962 4.843 1.00 0.00 O ATOM 0 HA TYR A 37 -4.602 -20.354 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.813 -18.393 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.988 -20.130 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.165 -21.489 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.610 -17.562 1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.580 -21.761 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -6.022 -17.830 3.775 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.172 -19.146 5.333 1.00 0.00 H new ATOM 556 N LYS A 38 -4.977 -19.980 -3.913 1.00 0.00 N ATOM 557 CA LYS A 38 -5.325 -19.900 -5.327 1.00 0.00 C ATOM 558 C LYS A 38 -5.762 -21.262 -5.857 1.00 0.00 C ATOM 559 O LYS A 38 -5.028 -22.244 -5.754 1.00 0.00 O ATOM 560 CB LYS A 38 -4.135 -19.383 -6.138 1.00 0.00 C ATOM 561 CG LYS A 38 -3.864 -17.901 -5.942 1.00 0.00 C ATOM 562 CD LYS A 38 -2.764 -17.409 -6.868 1.00 0.00 C ATOM 563 CE LYS A 38 -2.194 -16.079 -6.399 1.00 0.00 C ATOM 564 NZ LYS A 38 -1.217 -15.519 -7.374 1.00 0.00 N ATOM 0 H LYS A 38 -4.276 -20.687 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.158 -19.204 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.244 -19.947 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.316 -19.574 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.777 -17.335 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.579 -17.716 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.967 -18.151 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.159 -17.301 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.007 -15.368 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.707 -16.213 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.852 -14.613 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.428 -16.186 -7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.688 -15.367 -8.289 1.00 0.00 H new ATOM 578 N CYS A 39 -6.962 -21.312 -6.427 1.00 0.00 N ATOM 579 CA CYS A 39 -7.497 -22.553 -6.975 1.00 0.00 C ATOM 580 C CYS A 39 -6.569 -23.119 -8.046 1.00 0.00 C ATOM 581 O CYS A 39 -5.928 -22.373 -8.786 1.00 0.00 O ATOM 582 CB CYS A 39 -8.889 -22.316 -7.564 1.00 0.00 C ATOM 583 SG CYS A 39 -9.838 -23.841 -7.866 1.00 0.00 S ATOM 0 H CYS A 39 -7.582 -20.508 -6.521 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.571 -23.277 -6.164 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.455 -21.677 -6.886 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.787 -21.772 -8.503 1.00 0.00 H new ATOM 0 HG CYS A 39 -10.554 -23.701 -8.942 1.00 0.00 H new ATOM 588 N LYS A 40 -6.502 -24.444 -8.122 1.00 0.00 N ATOM 589 CA LYS A 40 -5.655 -25.112 -9.103 1.00 0.00 C ATOM 590 C LYS A 40 -6.338 -25.167 -10.465 1.00 0.00 C ATOM 591 O LYS A 40 -5.851 -24.592 -11.440 1.00 0.00 O ATOM 592 CB LYS A 40 -5.317 -26.529 -8.633 1.00 0.00 C ATOM 593 CG LYS A 40 -4.091 -27.117 -9.310 1.00 0.00 C ATOM 594 CD LYS A 40 -4.458 -27.853 -10.587 1.00 0.00 C ATOM 595 CE LYS A 40 -3.472 -28.971 -10.890 1.00 0.00 C ATOM 596 NZ LYS A 40 -3.708 -30.166 -10.033 1.00 0.00 N ATOM 0 H LYS A 40 -7.024 -25.076 -7.516 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.734 -24.538 -9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.156 -26.517 -7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.172 -27.179 -8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.383 -26.320 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.590 -27.802 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.462 -28.267 -10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.480 -27.150 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.555 -29.254 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.455 -28.610 -10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.818 -30.691 -9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.054 -29.862 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.417 -30.781 -10.482 1.00 0.00 H new ATOM 610 N THR A 41 -7.471 -25.861 -10.528 1.00 0.00 N ATOM 611 CA THR A 41 -8.221 -25.990 -11.770 1.00 0.00 C ATOM 612 C THR A 41 -8.550 -24.622 -12.359 1.00 0.00 C ATOM 613 O THR A 41 -8.380 -24.393 -13.557 1.00 0.00 O ATOM 614 CB THR A 41 -9.530 -26.773 -11.558 1.00 0.00 C ATOM 615 OG1 THR A 41 -10.296 -26.785 -12.768 1.00 0.00 O ATOM 616 CG2 THR A 41 -10.353 -26.157 -10.437 1.00 0.00 C ATOM 0 H THR A 41 -7.889 -26.342 -9.732 1.00 0.00 H new ATOM 0 HA THR A 41 -7.587 -26.539 -12.466 1.00 0.00 H new ATOM 0 HB THR A 41 -9.275 -27.796 -11.281 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.126 -27.286 -12.625 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.273 -26.727 -10.306 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.779 -26.177 -9.511 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.598 -25.126 -10.690 1.00 0.00 H new ATOM 624 N CYS A 42 -9.020 -23.716 -11.509 1.00 0.00 N ATOM 625 CA CYS A 42 -9.373 -22.370 -11.944 1.00 0.00 C ATOM 626 C CYS A 42 -8.201 -21.412 -11.753 1.00 0.00 C ATOM 627 O CYS A 42 -7.302 -21.666 -10.951 1.00 0.00 O ATOM 628 CB CYS A 42 -10.591 -21.863 -11.169 1.00 0.00 C ATOM 629 SG CYS A 42 -11.951 -23.070 -11.049 1.00 0.00 S ATOM 0 H CYS A 42 -9.165 -23.889 -10.514 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.618 -22.411 -13.005 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.278 -21.583 -10.163 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -10.964 -20.958 -11.650 1.00 0.00 H new ATOM 0 HG CYS A 42 -13.089 -22.458 -11.193 1.00 0.00 H new ATOM 634 N ASP A 43 -8.218 -20.310 -12.495 1.00 0.00 N ATOM 635 CA ASP A 43 -7.158 -19.312 -12.407 1.00 0.00 C ATOM 636 C ASP A 43 -7.573 -18.156 -11.503 1.00 0.00 C ATOM 637 O ASP A 43 -6.991 -17.072 -11.558 1.00 0.00 O ATOM 638 CB ASP A 43 -6.806 -18.787 -13.800 1.00 0.00 C ATOM 639 CG ASP A 43 -5.420 -18.175 -13.855 1.00 0.00 C ATOM 640 OD1 ASP A 43 -4.585 -18.519 -12.992 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.170 -17.353 -14.761 1.00 0.00 O ATOM 0 H ASP A 43 -8.954 -20.085 -13.164 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.279 -19.789 -11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.868 -19.604 -14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.542 -18.041 -14.100 1.00 0.00 H new ATOM 646 N TYR A 44 -8.583 -18.394 -10.674 1.00 0.00 N ATOM 647 CA TYR A 44 -9.079 -17.371 -9.760 1.00 0.00 C ATOM 648 C TYR A 44 -8.188 -17.265 -8.526 1.00 0.00 C ATOM 649 O TYR A 44 -7.614 -18.256 -8.074 1.00 0.00 O ATOM 650 CB TYR A 44 -10.516 -17.685 -9.341 1.00 0.00 C ATOM 651 CG TYR A 44 -10.953 -16.962 -8.087 1.00 0.00 C ATOM 652 CD1 TYR A 44 -11.333 -15.626 -8.129 1.00 0.00 C ATOM 653 CD2 TYR A 44 -10.986 -17.614 -6.861 1.00 0.00 C ATOM 654 CE1 TYR A 44 -11.732 -14.961 -6.986 1.00 0.00 C ATOM 655 CE2 TYR A 44 -11.385 -16.958 -5.713 1.00 0.00 C ATOM 656 CZ TYR A 44 -11.757 -15.631 -5.780 1.00 0.00 C ATOM 657 OH TYR A 44 -12.155 -14.973 -4.640 1.00 0.00 O ATOM 0 H TYR A 44 -9.074 -19.286 -10.616 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.061 -16.414 -10.282 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.189 -17.420 -10.156 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.613 -18.759 -9.183 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.316 -15.099 -9.071 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.694 -18.652 -6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.023 -13.922 -7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.406 -17.481 -4.768 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.347 -15.626 -3.935 1.00 0.00 H new ATOM 667 N ALA A 45 -8.080 -16.056 -7.984 1.00 0.00 N ATOM 668 CA ALA A 45 -7.263 -15.820 -6.801 1.00 0.00 C ATOM 669 C ALA A 45 -8.126 -15.429 -5.606 1.00 0.00 C ATOM 670 O ALA A 45 -9.103 -14.694 -5.749 1.00 0.00 O ATOM 671 CB ALA A 45 -6.227 -14.741 -7.081 1.00 0.00 C ATOM 0 H ALA A 45 -8.548 -15.225 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.748 -16.749 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.624 -14.575 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.583 -15.059 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.732 -13.815 -7.355 1.00 0.00 H new ATOM 677 N ALA A 46 -7.761 -15.927 -4.429 1.00 0.00 N ATOM 678 CA ALA A 46 -8.502 -15.628 -3.210 1.00 0.00 C ATOM 679 C ALA A 46 -7.602 -14.974 -2.167 1.00 0.00 C ATOM 680 O ALA A 46 -6.537 -15.495 -1.837 1.00 0.00 O ATOM 681 CB ALA A 46 -9.127 -16.896 -2.649 1.00 0.00 C ATOM 0 H ALA A 46 -6.957 -16.539 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.296 -14.924 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.677 -16.658 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.809 -17.322 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.343 -17.618 -2.421 1.00 0.00 H new ATOM 687 N ALA A 47 -8.037 -13.828 -1.653 1.00 0.00 N ATOM 688 CA ALA A 47 -7.271 -13.103 -0.647 1.00 0.00 C ATOM 689 C ALA A 47 -7.130 -13.923 0.631 1.00 0.00 C ATOM 690 O ALA A 47 -6.035 -14.054 1.178 1.00 0.00 O ATOM 691 CB ALA A 47 -7.927 -11.763 -0.347 1.00 0.00 C ATOM 0 H ALA A 47 -8.916 -13.382 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.272 -12.924 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.344 -11.233 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.970 -11.167 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.938 -11.928 0.027 1.00 0.00 H new ATOM 697 N ASP A 48 -8.244 -14.471 1.103 1.00 0.00 N ATOM 698 CA ASP A 48 -8.244 -15.279 2.317 1.00 0.00 C ATOM 699 C ASP A 48 -8.978 -16.597 2.093 1.00 0.00 C ATOM 700 O ASP A 48 -9.610 -16.799 1.056 1.00 0.00 O ATOM 701 CB ASP A 48 -8.895 -14.508 3.467 1.00 0.00 C ATOM 702 CG ASP A 48 -8.347 -14.918 4.821 1.00 0.00 C ATOM 703 OD1 ASP A 48 -7.110 -15.024 4.953 1.00 0.00 O ATOM 704 OD2 ASP A 48 -9.157 -15.130 5.747 1.00 0.00 O ATOM 0 H ASP A 48 -9.159 -14.370 0.663 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.209 -15.500 2.577 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.735 -13.440 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.972 -14.674 3.448 1.00 0.00 H new ATOM 709 N SER A 49 -8.887 -17.493 3.071 1.00 0.00 N ATOM 710 CA SER A 49 -9.538 -18.794 2.978 1.00 0.00 C ATOM 711 C SER A 49 -10.988 -18.646 2.526 1.00 0.00 C ATOM 712 O SER A 49 -11.426 -19.303 1.582 1.00 0.00 O ATOM 713 CB SER A 49 -9.484 -19.513 4.328 1.00 0.00 C ATOM 714 OG SER A 49 -8.154 -19.591 4.811 1.00 0.00 O ATOM 0 H SER A 49 -8.369 -17.341 3.936 1.00 0.00 H new ATOM 0 HA SER A 49 -9.003 -19.387 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.106 -18.984 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.897 -20.517 4.226 1.00 0.00 H new ATOM 0 HG SER A 49 -7.528 -19.493 4.063 1.00 0.00 H new ATOM 720 N SER A 50 -11.728 -17.778 3.209 1.00 0.00 N ATOM 721 CA SER A 50 -13.130 -17.544 2.881 1.00 0.00 C ATOM 722 C SER A 50 -13.299 -17.255 1.393 1.00 0.00 C ATOM 723 O SER A 50 -14.060 -17.931 0.701 1.00 0.00 O ATOM 724 CB SER A 50 -13.681 -16.379 3.705 1.00 0.00 C ATOM 725 OG SER A 50 -13.443 -16.575 5.088 1.00 0.00 O ATOM 0 H SER A 50 -11.380 -17.225 3.993 1.00 0.00 H new ATOM 0 HA SER A 50 -13.690 -18.447 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.215 -15.448 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.752 -16.278 3.528 1.00 0.00 H new ATOM 0 HG SER A 50 -13.803 -15.816 5.593 1.00 0.00 H new ATOM 731 N SER A 51 -12.584 -16.245 0.908 1.00 0.00 N ATOM 732 CA SER A 51 -12.657 -15.862 -0.497 1.00 0.00 C ATOM 733 C SER A 51 -12.729 -17.095 -1.393 1.00 0.00 C ATOM 734 O SER A 51 -13.653 -17.242 -2.194 1.00 0.00 O ATOM 735 CB SER A 51 -11.445 -15.010 -0.879 1.00 0.00 C ATOM 736 OG SER A 51 -11.621 -13.663 -0.476 1.00 0.00 O ATOM 0 H SER A 51 -11.948 -15.677 1.467 1.00 0.00 H new ATOM 0 HA SER A 51 -13.564 -15.276 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.548 -15.418 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.292 -15.053 -1.957 1.00 0.00 H new ATOM 0 HG SER A 51 -10.832 -13.140 -0.730 1.00 0.00 H new ATOM 742 N LEU A 52 -11.747 -17.979 -1.252 1.00 0.00 N ATOM 743 CA LEU A 52 -11.697 -19.200 -2.048 1.00 0.00 C ATOM 744 C LEU A 52 -12.946 -20.047 -1.825 1.00 0.00 C ATOM 745 O LEU A 52 -13.493 -20.623 -2.764 1.00 0.00 O ATOM 746 CB LEU A 52 -10.448 -20.010 -1.696 1.00 0.00 C ATOM 747 CG LEU A 52 -10.029 -21.073 -2.713 1.00 0.00 C ATOM 748 CD1 LEU A 52 -9.299 -20.433 -3.883 1.00 0.00 C ATOM 749 CD2 LEU A 52 -9.158 -22.130 -2.051 1.00 0.00 C ATOM 0 H LEU A 52 -10.975 -17.873 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.655 -18.918 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.617 -19.318 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.615 -20.500 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.927 -21.559 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.008 -21.204 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.956 -19.715 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.408 -19.921 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.869 -22.878 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.264 -21.660 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.716 -22.610 -1.247 1.00 0.00 H new ATOM 761 N ASN A 53 -13.393 -20.115 -0.575 1.00 0.00 N ATOM 762 CA ASN A 53 -14.579 -20.890 -0.229 1.00 0.00 C ATOM 763 C ASN A 53 -15.801 -20.383 -0.988 1.00 0.00 C ATOM 764 O ASN A 53 -16.727 -21.141 -1.275 1.00 0.00 O ATOM 765 CB ASN A 53 -14.836 -20.822 1.278 1.00 0.00 C ATOM 766 CG ASN A 53 -14.118 -21.921 2.037 1.00 0.00 C ATOM 767 OD1 ASN A 53 -14.496 -23.090 1.966 1.00 0.00 O ATOM 768 ND2 ASN A 53 -13.075 -21.548 2.770 1.00 0.00 N ATOM 0 H ASN A 53 -12.952 -19.643 0.215 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.401 -21.927 -0.514 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.512 -19.852 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.907 -20.895 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.552 -22.243 3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.797 -20.567 2.799 1.00 0.00 H new ATOM 775 N LYS A 54 -15.796 -19.094 -1.312 1.00 0.00 N ATOM 776 CA LYS A 54 -16.903 -18.484 -2.040 1.00 0.00 C ATOM 777 C LYS A 54 -16.839 -18.836 -3.523 1.00 0.00 C ATOM 778 O LYS A 54 -17.852 -18.811 -4.221 1.00 0.00 O ATOM 779 CB LYS A 54 -16.879 -16.964 -1.864 1.00 0.00 C ATOM 780 CG LYS A 54 -18.079 -16.262 -2.476 1.00 0.00 C ATOM 781 CD LYS A 54 -18.093 -14.781 -2.133 1.00 0.00 C ATOM 782 CE LYS A 54 -17.178 -13.987 -3.052 1.00 0.00 C ATOM 783 NZ LYS A 54 -16.789 -12.680 -2.453 1.00 0.00 N ATOM 0 H LYS A 54 -15.038 -18.452 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 54 -17.834 -18.877 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.836 -16.730 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.969 -16.569 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.061 -16.386 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.997 -16.728 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.110 -14.398 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.779 -14.643 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.282 -14.570 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.680 -13.815 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.165 -12.169 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.642 -12.113 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.288 -12.844 -1.557 1.00 0.00 H new ATOM 797 N HIS A 55 -15.641 -19.165 -3.997 1.00 0.00 N ATOM 798 CA HIS A 55 -15.446 -19.525 -5.397 1.00 0.00 C ATOM 799 C HIS A 55 -15.667 -21.019 -5.610 1.00 0.00 C ATOM 800 O HIS A 55 -16.444 -21.426 -6.475 1.00 0.00 O ATOM 801 CB HIS A 55 -14.040 -19.135 -5.854 1.00 0.00 C ATOM 802 CG HIS A 55 -13.493 -20.022 -6.930 1.00 0.00 C ATOM 803 ND1 HIS A 55 -13.665 -19.769 -8.274 1.00 0.00 N ATOM 804 CD2 HIS A 55 -12.771 -21.165 -6.853 1.00 0.00 C ATOM 805 CE1 HIS A 55 -13.075 -20.718 -8.978 1.00 0.00 C ATOM 806 NE2 HIS A 55 -12.525 -21.578 -8.140 1.00 0.00 N ATOM 0 H HIS A 55 -14.792 -19.190 -3.433 1.00 0.00 H new ATOM 0 HA HIS A 55 -16.178 -18.979 -5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -14.056 -18.107 -6.215 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.368 -19.161 -4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.449 -21.660 -5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -13.047 -20.780 -10.056 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -12.003 -22.413 -8.405 1.00 0.00 H new ATOM 814 N LEU A 56 -14.980 -21.833 -4.816 1.00 0.00 N ATOM 815 CA LEU A 56 -15.100 -23.283 -4.918 1.00 0.00 C ATOM 816 C LEU A 56 -16.565 -23.707 -4.952 1.00 0.00 C ATOM 817 O LEU A 56 -16.891 -24.816 -5.375 1.00 0.00 O ATOM 818 CB LEU A 56 -14.389 -23.958 -3.744 1.00 0.00 C ATOM 819 CG LEU A 56 -12.920 -23.583 -3.544 1.00 0.00 C ATOM 820 CD1 LEU A 56 -12.535 -23.697 -2.077 1.00 0.00 C ATOM 821 CD2 LEU A 56 -12.024 -24.464 -4.402 1.00 0.00 C ATOM 0 H LEU A 56 -14.334 -21.513 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.628 -23.597 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.932 -23.718 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.453 -25.038 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.783 -22.547 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.486 -23.426 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.155 -23.024 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.687 -24.722 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.982 -24.183 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.164 -25.508 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.283 -24.333 -5.453 1.00 0.00 H new ATOM 833 N ARG A 57 -17.444 -22.816 -4.505 1.00 0.00 N ATOM 834 CA ARG A 57 -18.874 -23.097 -4.485 1.00 0.00 C ATOM 835 C ARG A 57 -19.361 -23.537 -5.862 1.00 0.00 C ATOM 836 O ARG A 57 -20.273 -24.356 -5.976 1.00 0.00 O ATOM 837 CB ARG A 57 -19.652 -21.861 -4.027 1.00 0.00 C ATOM 838 CG ARG A 57 -19.803 -21.760 -2.518 1.00 0.00 C ATOM 839 CD ARG A 57 -20.656 -20.565 -2.123 1.00 0.00 C ATOM 840 NE ARG A 57 -22.018 -20.670 -2.637 1.00 0.00 N ATOM 841 CZ ARG A 57 -23.036 -19.952 -2.175 1.00 0.00 C ATOM 842 NH1 ARG A 57 -22.845 -19.081 -1.194 1.00 0.00 N ATOM 843 NH2 ARG A 57 -24.247 -20.104 -2.695 1.00 0.00 N ATOM 0 H ARG A 57 -17.191 -21.893 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.049 -23.910 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.146 -20.968 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -20.642 -21.876 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -20.256 -22.674 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.819 -21.674 -2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.684 -20.483 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.196 -19.651 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 57 -22.198 -21.331 -3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.915 -18.961 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -23.628 -18.531 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.397 -20.773 -3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.028 -19.552 -2.339 1.00 0.00 H new ATOM 857 N ILE A 58 -18.748 -22.987 -6.904 1.00 0.00 N ATOM 858 CA ILE A 58 -19.119 -23.323 -8.273 1.00 0.00 C ATOM 859 C ILE A 58 -18.793 -24.779 -8.589 1.00 0.00 C ATOM 860 O ILE A 58 -19.337 -25.358 -9.530 1.00 0.00 O ATOM 861 CB ILE A 58 -18.401 -22.416 -9.290 1.00 0.00 C ATOM 862 CG1 ILE A 58 -17.053 -23.023 -9.685 1.00 0.00 C ATOM 863 CG2 ILE A 58 -18.212 -21.021 -8.714 1.00 0.00 C ATOM 864 CD1 ILE A 58 -16.081 -23.139 -8.531 1.00 0.00 C ATOM 0 H ILE A 58 -17.992 -22.307 -6.827 1.00 0.00 H new ATOM 0 HA ILE A 58 -20.195 -23.167 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 58 -19.019 -22.338 -10.185 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -17.220 -24.013 -10.110 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -16.604 -22.412 -10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -17.703 -20.392 -9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -19.185 -20.590 -8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -17.612 -21.081 -7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.148 -23.577 -8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -15.884 -22.149 -8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -16.510 -23.775 -7.756 1.00 0.00 H new ATOM 876 N HIS A 59 -17.904 -25.367 -7.795 1.00 0.00 N ATOM 877 CA HIS A 59 -17.507 -26.757 -7.988 1.00 0.00 C ATOM 878 C HIS A 59 -18.587 -27.706 -7.477 1.00 0.00 C ATOM 879 O HIS A 59 -18.302 -28.640 -6.727 1.00 0.00 O ATOM 880 CB HIS A 59 -16.185 -27.036 -7.272 1.00 0.00 C ATOM 881 CG HIS A 59 -15.022 -26.289 -7.849 1.00 0.00 C ATOM 882 ND1 HIS A 59 -14.032 -25.591 -7.246 1.00 0.00 N flip ATOM 883 CD2 HIS A 59 -14.781 -26.202 -9.204 1.00 0.00 C flip ATOM 884 CE1 HIS A 59 -13.218 -25.100 -8.237 1.00 0.00 C flip ATOM 885 NE2 HIS A 59 -13.691 -25.484 -9.409 1.00 0.00 N flip ATOM 0 H HIS A 59 -17.445 -24.902 -7.012 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.375 -26.927 -9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.289 -26.773 -6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -15.977 -28.105 -7.315 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.388 -26.650 -9.977 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.335 -24.498 -8.083 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.284 -25.264 -10.318 1.00 0.00 H new ATOM 955 N PRO A 64 -31.080 -23.642 -9.903 1.00 0.00 N ATOM 956 CA PRO A 64 -32.277 -23.293 -10.673 1.00 0.00 C ATOM 957 C PRO A 64 -32.341 -21.805 -11.002 1.00 0.00 C ATOM 958 O PRO A 64 -33.015 -21.397 -11.948 1.00 0.00 O ATOM 959 CB PRO A 64 -33.426 -23.684 -9.740 1.00 0.00 C ATOM 960 CG PRO A 64 -32.843 -23.613 -8.371 1.00 0.00 C ATOM 961 CD PRO A 64 -31.400 -24.012 -8.514 1.00 0.00 C ATOM 0 HA PRO A 64 -32.303 -23.799 -11.638 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -34.271 -23.004 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -33.793 -24.686 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -32.931 -22.607 -7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -33.367 -24.282 -7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -30.765 -23.486 -7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -31.259 -25.079 -8.340 1.00 0.00 H new ATOM 969 N PHE A 65 -31.635 -20.999 -10.216 1.00 0.00 N ATOM 970 CA PHE A 65 -31.612 -19.556 -10.424 1.00 0.00 C ATOM 971 C PHE A 65 -30.327 -19.128 -11.127 1.00 0.00 C ATOM 972 O PHE A 65 -29.290 -19.780 -11.002 1.00 0.00 O ATOM 973 CB PHE A 65 -31.743 -18.824 -9.087 1.00 0.00 C ATOM 974 CG PHE A 65 -33.163 -18.683 -8.617 1.00 0.00 C ATOM 975 CD1 PHE A 65 -34.045 -17.844 -9.278 1.00 0.00 C ATOM 976 CD2 PHE A 65 -33.615 -19.391 -7.515 1.00 0.00 C ATOM 977 CE1 PHE A 65 -35.351 -17.711 -8.847 1.00 0.00 C ATOM 978 CE2 PHE A 65 -34.921 -19.263 -7.080 1.00 0.00 C ATOM 979 CZ PHE A 65 -35.790 -18.423 -7.748 1.00 0.00 C ATOM 0 H PHE A 65 -31.071 -21.321 -9.429 1.00 0.00 H new ATOM 0 HA PHE A 65 -32.458 -19.293 -11.059 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -31.170 -19.360 -8.331 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -31.299 -17.833 -9.180 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.708 -17.287 -10.140 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -32.940 -20.050 -6.990 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -36.028 -17.051 -9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -35.261 -19.819 -6.219 1.00 0.00 H new ATOM 0 HZ PHE A 65 -36.811 -18.323 -7.412 1.00 0.00 H new ATOM 989 N LYS A 66 -30.403 -18.027 -11.867 1.00 0.00 N ATOM 990 CA LYS A 66 -29.248 -17.510 -12.591 1.00 0.00 C ATOM 991 C LYS A 66 -29.283 -15.986 -12.653 1.00 0.00 C ATOM 992 O LYS A 66 -30.355 -15.380 -12.671 1.00 0.00 O ATOM 993 CB LYS A 66 -29.206 -18.088 -14.007 1.00 0.00 C ATOM 994 CG LYS A 66 -29.065 -19.600 -14.043 1.00 0.00 C ATOM 995 CD LYS A 66 -29.695 -20.189 -15.294 1.00 0.00 C ATOM 996 CE LYS A 66 -29.984 -21.673 -15.126 1.00 0.00 C ATOM 997 NZ LYS A 66 -28.739 -22.489 -15.170 1.00 0.00 N ATOM 0 H LYS A 66 -31.253 -17.475 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 66 -28.349 -17.814 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -30.117 -17.804 -14.534 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -28.372 -17.641 -14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -28.009 -19.869 -14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -29.536 -20.031 -13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -30.621 -19.660 -15.520 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -29.028 -20.041 -16.143 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -30.493 -21.839 -14.177 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -30.662 -22.002 -15.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -28.978 -23.494 -15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -28.266 -22.351 -16.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -28.102 -22.192 -14.403 1.00 0.00 H new ATOM 1011 N CYS A 67 -28.105 -15.373 -12.688 1.00 0.00 N ATOM 1012 CA CYS A 67 -28.000 -13.920 -12.750 1.00 0.00 C ATOM 1013 C CYS A 67 -27.869 -13.445 -14.194 1.00 0.00 C ATOM 1014 O CYS A 67 -27.359 -14.166 -15.051 1.00 0.00 O ATOM 1015 CB CYS A 67 -26.799 -13.439 -11.933 1.00 0.00 C ATOM 1016 SG CYS A 67 -26.493 -11.647 -12.045 1.00 0.00 S ATOM 0 H CYS A 67 -27.209 -15.860 -12.674 1.00 0.00 H new ATOM 0 HA CYS A 67 -28.911 -13.497 -12.328 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -26.954 -13.706 -10.888 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -25.909 -13.970 -12.269 1.00 0.00 H new ATOM 0 HG CYS A 67 -25.830 -11.254 -10.998 1.00 0.00 H new ATOM 1021 N GLN A 68 -28.333 -12.227 -14.455 1.00 0.00 N ATOM 1022 CA GLN A 68 -28.268 -11.656 -15.796 1.00 0.00 C ATOM 1023 C GLN A 68 -26.858 -11.167 -16.111 1.00 0.00 C ATOM 1024 O GLN A 68 -26.211 -11.663 -17.034 1.00 0.00 O ATOM 1025 CB GLN A 68 -29.263 -10.503 -15.930 1.00 0.00 C ATOM 1026 CG GLN A 68 -30.655 -10.945 -16.354 1.00 0.00 C ATOM 1027 CD GLN A 68 -31.316 -11.848 -15.331 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -31.438 -11.492 -14.158 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -31.748 -13.024 -15.771 1.00 0.00 N ATOM 0 H GLN A 68 -28.758 -11.617 -13.757 1.00 0.00 H new ATOM 0 HA GLN A 68 -28.530 -12.437 -16.510 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -29.332 -9.981 -14.976 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -28.881 -9.787 -16.658 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.279 -10.065 -16.514 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -30.591 -11.468 -17.308 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -31.626 -13.278 -16.751 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -32.202 -13.673 -15.129 1.00 0.00 H new ATOM 1038 N ILE A 69 -26.389 -10.192 -15.340 1.00 0.00 N ATOM 1039 CA ILE A 69 -25.056 -9.637 -15.537 1.00 0.00 C ATOM 1040 C ILE A 69 -24.003 -10.739 -15.582 1.00 0.00 C ATOM 1041 O ILE A 69 -23.470 -11.062 -16.644 1.00 0.00 O ATOM 1042 CB ILE A 69 -24.691 -8.639 -14.423 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -25.762 -7.551 -14.312 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -23.327 -8.021 -14.691 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -26.879 -7.899 -13.354 1.00 0.00 C ATOM 0 H ILE A 69 -26.913 -9.770 -14.573 1.00 0.00 H new ATOM 0 HA ILE A 69 -25.071 -9.112 -16.492 1.00 0.00 H new ATOM 0 HB ILE A 69 -24.645 -9.176 -13.476 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.293 -6.622 -13.988 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.185 -7.367 -15.299 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -23.083 -7.318 -13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.572 -8.806 -14.725 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -23.347 -7.495 -15.646 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -27.601 -7.083 -13.326 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.374 -8.811 -13.688 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -26.468 -8.054 -12.357 1.00 0.00 H new ATOM 1057 N CYS A 70 -23.708 -11.315 -14.421 1.00 0.00 N ATOM 1058 CA CYS A 70 -22.719 -12.382 -14.326 1.00 0.00 C ATOM 1059 C CYS A 70 -23.390 -13.752 -14.385 1.00 0.00 C ATOM 1060 O CYS A 70 -24.550 -13.920 -14.007 1.00 0.00 O ATOM 1061 CB CYS A 70 -21.918 -12.250 -13.030 1.00 0.00 C ATOM 1062 SG CYS A 70 -22.872 -12.624 -11.524 1.00 0.00 S ATOM 0 H CYS A 70 -24.140 -11.060 -13.533 1.00 0.00 H new ATOM 0 HA CYS A 70 -22.041 -12.292 -15.175 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -21.058 -12.918 -13.078 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -21.529 -11.234 -12.958 1.00 0.00 H new ATOM 0 HG CYS A 70 -24.119 -12.307 -11.710 1.00 0.00 H new ATOM 1067 N PRO A 71 -22.644 -14.756 -14.870 1.00 0.00 N ATOM 1068 CA PRO A 71 -23.145 -16.128 -14.989 1.00 0.00 C ATOM 1069 C PRO A 71 -23.336 -16.796 -13.632 1.00 0.00 C ATOM 1070 O PRO A 71 -23.685 -17.973 -13.552 1.00 0.00 O ATOM 1071 CB PRO A 71 -22.048 -16.839 -15.786 1.00 0.00 C ATOM 1072 CG PRO A 71 -20.812 -16.055 -15.508 1.00 0.00 C ATOM 1073 CD PRO A 71 -21.255 -14.628 -15.340 1.00 0.00 C ATOM 0 HA PRO A 71 -24.126 -16.163 -15.463 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -21.938 -17.877 -15.471 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -22.278 -16.852 -16.851 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -20.314 -16.417 -14.609 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -20.098 -16.148 -16.327 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.634 -14.097 -14.619 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -21.197 -14.076 -16.278 1.00 0.00 H new ATOM 1081 N TYR A 72 -23.104 -16.036 -12.567 1.00 0.00 N ATOM 1082 CA TYR A 72 -23.248 -16.555 -11.212 1.00 0.00 C ATOM 1083 C TYR A 72 -24.544 -17.347 -11.067 1.00 0.00 C ATOM 1084 O TYR A 72 -25.416 -17.295 -11.933 1.00 0.00 O ATOM 1085 CB TYR A 72 -23.222 -15.409 -10.199 1.00 0.00 C ATOM 1086 CG TYR A 72 -23.439 -15.858 -8.771 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -22.448 -16.545 -8.080 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -24.635 -15.596 -8.115 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -22.643 -16.957 -6.776 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -24.837 -16.004 -6.810 1.00 0.00 C ATOM 1091 CZ TYR A 72 -23.839 -16.684 -6.145 1.00 0.00 C ATOM 1092 OH TYR A 72 -24.037 -17.093 -4.846 1.00 0.00 O ATOM 0 H TYR A 72 -22.816 -15.059 -12.616 1.00 0.00 H new ATOM 0 HA TYR A 72 -22.410 -17.224 -11.016 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -22.263 -14.896 -10.268 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -23.991 -14.684 -10.464 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -21.510 -16.760 -8.571 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -25.420 -15.065 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -21.863 -17.490 -6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -25.772 -15.791 -6.314 1.00 0.00 H new ATOM 0 HH TYR A 72 -24.931 -16.821 -4.550 1.00 0.00 H new ATOM 1102 N ALA A 73 -24.661 -18.080 -9.964 1.00 0.00 N ATOM 1103 CA ALA A 73 -25.850 -18.881 -9.703 1.00 0.00 C ATOM 1104 C ALA A 73 -25.922 -19.296 -8.237 1.00 0.00 C ATOM 1105 O ALA A 73 -24.896 -19.535 -7.599 1.00 0.00 O ATOM 1106 CB ALA A 73 -25.868 -20.109 -10.602 1.00 0.00 C ATOM 0 H ALA A 73 -23.947 -18.135 -9.238 1.00 0.00 H new ATOM 0 HA ALA A 73 -26.725 -18.269 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -26.762 -20.698 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -25.873 -19.796 -11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -24.982 -20.714 -10.409 1.00 0.00 H new ATOM 1112 N SER A 74 -27.139 -19.379 -7.709 1.00 0.00 N ATOM 1113 CA SER A 74 -27.343 -19.760 -6.316 1.00 0.00 C ATOM 1114 C SER A 74 -28.594 -20.621 -6.167 1.00 0.00 C ATOM 1115 O SER A 74 -29.544 -20.494 -6.939 1.00 0.00 O ATOM 1116 CB SER A 74 -27.460 -18.514 -5.436 1.00 0.00 C ATOM 1117 OG SER A 74 -27.687 -18.865 -4.082 1.00 0.00 O ATOM 0 H SER A 74 -27.998 -19.188 -8.224 1.00 0.00 H new ATOM 0 HA SER A 74 -26.480 -20.343 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 74 -26.547 -17.923 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A 74 -28.277 -17.887 -5.794 1.00 0.00 H new ATOM 0 HG SER A 74 -27.756 -18.051 -3.540 1.00 0.00 H new ATOM 1123 N ARG A 75 -28.585 -21.497 -5.168 1.00 0.00 N ATOM 1124 CA ARG A 75 -29.717 -22.381 -4.917 1.00 0.00 C ATOM 1125 C ARG A 75 -30.751 -21.700 -4.024 1.00 0.00 C ATOM 1126 O ARG A 75 -31.304 -22.318 -3.116 1.00 0.00 O ATOM 1127 CB ARG A 75 -29.242 -23.681 -4.265 1.00 0.00 C ATOM 1128 CG ARG A 75 -28.362 -24.529 -5.169 1.00 0.00 C ATOM 1129 CD ARG A 75 -28.178 -25.931 -4.611 1.00 0.00 C ATOM 1130 NE ARG A 75 -27.161 -25.975 -3.563 1.00 0.00 N ATOM 1131 CZ ARG A 75 -27.072 -26.950 -2.665 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -27.934 -27.957 -2.688 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -26.119 -26.919 -1.743 1.00 0.00 N ATOM 0 H ARG A 75 -27.807 -21.614 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 75 -30.184 -22.612 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -28.690 -23.441 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -30.111 -24.266 -3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -28.808 -24.587 -6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -27.389 -24.051 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -29.127 -26.289 -4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -27.897 -26.608 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 75 -26.482 -25.215 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -28.668 -27.984 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.864 -28.704 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.454 -26.146 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.051 -27.668 -1.054 1.00 0.00 H new ATOM 1147 N ASN A 76 -31.005 -20.423 -4.290 1.00 0.00 N ATOM 1148 CA ASN A 76 -31.971 -19.657 -3.510 1.00 0.00 C ATOM 1149 C ASN A 76 -32.395 -18.396 -4.256 1.00 0.00 C ATOM 1150 O ASN A 76 -31.712 -17.948 -5.176 1.00 0.00 O ATOM 1151 CB ASN A 76 -31.378 -19.284 -2.150 1.00 0.00 C ATOM 1152 CG ASN A 76 -31.439 -20.430 -1.158 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -30.474 -21.178 -0.997 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -32.576 -20.572 -0.488 1.00 0.00 N ATOM 0 H ASN A 76 -30.556 -19.897 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 76 -32.852 -20.280 -3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -30.341 -18.976 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -31.916 -18.427 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -32.676 -21.325 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -33.350 -19.928 -0.654 1.00 0.00 H new ATOM 1161 N SER A 77 -33.527 -17.829 -3.852 1.00 0.00 N ATOM 1162 CA SER A 77 -34.045 -16.621 -4.484 1.00 0.00 C ATOM 1163 C SER A 77 -33.545 -15.373 -3.762 1.00 0.00 C ATOM 1164 O SER A 77 -33.053 -14.435 -4.389 1.00 0.00 O ATOM 1165 CB SER A 77 -35.575 -16.640 -4.492 1.00 0.00 C ATOM 1166 OG SER A 77 -36.089 -16.868 -3.192 1.00 0.00 O ATOM 0 H SER A 77 -34.103 -18.187 -3.090 1.00 0.00 H new ATOM 0 HA SER A 77 -33.683 -16.595 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 77 -35.952 -15.691 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 77 -35.929 -17.419 -5.168 1.00 0.00 H new ATOM 0 HG SER A 77 -37.068 -16.874 -3.224 1.00 0.00 H new ATOM 1172 N SER A 78 -33.674 -15.370 -2.439 1.00 0.00 N ATOM 1173 CA SER A 78 -33.240 -14.237 -1.631 1.00 0.00 C ATOM 1174 C SER A 78 -31.751 -13.970 -1.827 1.00 0.00 C ATOM 1175 O SER A 78 -31.352 -12.866 -2.199 1.00 0.00 O ATOM 1176 CB SER A 78 -33.533 -14.496 -0.152 1.00 0.00 C ATOM 1177 OG SER A 78 -34.841 -14.073 0.191 1.00 0.00 O ATOM 0 H SER A 78 -34.076 -16.140 -1.904 1.00 0.00 H new ATOM 0 HA SER A 78 -33.795 -13.357 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 78 -33.423 -15.559 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 78 -32.804 -13.969 0.464 1.00 0.00 H new ATOM 0 HG SER A 78 -35.004 -14.251 1.141 1.00 0.00 H new ATOM 1183 N GLN A 79 -30.935 -14.988 -1.574 1.00 0.00 N ATOM 1184 CA GLN A 79 -29.489 -14.863 -1.722 1.00 0.00 C ATOM 1185 C GLN A 79 -29.136 -14.120 -3.006 1.00 0.00 C ATOM 1186 O GLN A 79 -28.275 -13.238 -3.008 1.00 0.00 O ATOM 1187 CB GLN A 79 -28.834 -16.245 -1.721 1.00 0.00 C ATOM 1188 CG GLN A 79 -28.458 -16.740 -0.334 1.00 0.00 C ATOM 1189 CD GLN A 79 -28.300 -18.246 -0.275 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -29.349 -18.936 0.156 1.00 0.00 O flip ATOM 1191 NE2 GLN A 79 -27.245 -18.785 -0.612 1.00 0.00 N flip ATOM 0 H GLN A 79 -31.250 -15.908 -1.266 1.00 0.00 H new ATOM 0 HA GLN A 79 -29.110 -14.289 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -29.515 -16.961 -2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -27.938 -16.214 -2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -27.525 -16.268 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.223 -16.431 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -26.463 -18.217 -0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -27.153 -19.800 -0.566 1.00 0.00 H new ATOM 1200 N LEU A 80 -29.804 -14.481 -4.095 1.00 0.00 N ATOM 1201 CA LEU A 80 -29.560 -13.848 -5.387 1.00 0.00 C ATOM 1202 C LEU A 80 -29.944 -12.372 -5.352 1.00 0.00 C ATOM 1203 O LEU A 80 -29.197 -11.513 -5.822 1.00 0.00 O ATOM 1204 CB LEU A 80 -30.347 -14.566 -6.485 1.00 0.00 C ATOM 1205 CG LEU A 80 -30.359 -13.887 -7.855 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -29.162 -14.333 -8.682 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -31.658 -14.188 -8.589 1.00 0.00 C ATOM 0 H LEU A 80 -30.519 -15.208 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 80 -28.494 -13.922 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -29.936 -15.569 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -31.378 -14.681 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 80 -30.291 -12.809 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -29.187 -13.840 -9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -28.241 -14.066 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -29.199 -15.413 -8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -31.648 -13.697 -9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -31.757 -15.265 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -32.500 -13.819 -8.004 1.00 0.00 H new ATOM 1219 N THR A 81 -31.114 -12.084 -4.790 1.00 0.00 N ATOM 1220 CA THR A 81 -31.597 -10.712 -4.692 1.00 0.00 C ATOM 1221 C THR A 81 -30.490 -9.771 -4.230 1.00 0.00 C ATOM 1222 O THR A 81 -30.209 -8.763 -4.878 1.00 0.00 O ATOM 1223 CB THR A 81 -32.787 -10.604 -3.719 1.00 0.00 C ATOM 1224 OG1 THR A 81 -33.840 -11.481 -4.133 1.00 0.00 O ATOM 1225 CG2 THR A 81 -33.305 -9.175 -3.656 1.00 0.00 C ATOM 0 H THR A 81 -31.744 -12.782 -4.396 1.00 0.00 H new ATOM 0 HA THR A 81 -31.925 -10.420 -5.690 1.00 0.00 H new ATOM 0 HB THR A 81 -32.444 -10.894 -2.726 1.00 0.00 H new ATOM 0 HG1 THR A 81 -33.548 -12.411 -4.036 1.00 0.00 H new ATOM 0 HG21 THR A 81 -34.145 -9.123 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 81 -32.509 -8.514 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 81 -33.633 -8.863 -4.648 1.00 0.00 H new ATOM 1233 N VAL A 82 -29.864 -10.107 -3.107 1.00 0.00 N ATOM 1234 CA VAL A 82 -28.786 -9.292 -2.560 1.00 0.00 C ATOM 1235 C VAL A 82 -27.566 -9.310 -3.473 1.00 0.00 C ATOM 1236 O VAL A 82 -26.967 -8.270 -3.747 1.00 0.00 O ATOM 1237 CB VAL A 82 -28.372 -9.777 -1.158 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -27.135 -9.034 -0.679 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -29.520 -9.607 -0.175 1.00 0.00 C ATOM 0 H VAL A 82 -30.085 -10.938 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.166 -8.273 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 82 -28.129 -10.838 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -26.858 -9.390 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -26.312 -9.213 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -27.347 -7.966 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -29.210 -9.955 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -29.797 -8.554 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -30.377 -10.190 -0.512 1.00 0.00 H new ATOM 1249 N HIS A 83 -27.202 -10.499 -3.942 1.00 0.00 N ATOM 1250 CA HIS A 83 -26.053 -10.653 -4.827 1.00 0.00 C ATOM 1251 C HIS A 83 -26.075 -9.604 -5.934 1.00 0.00 C ATOM 1252 O HIS A 83 -25.041 -9.035 -6.285 1.00 0.00 O ATOM 1253 CB HIS A 83 -26.036 -12.055 -5.436 1.00 0.00 C ATOM 1254 CG HIS A 83 -25.372 -12.117 -6.778 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -24.132 -12.686 -6.978 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -25.784 -11.679 -7.990 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -23.809 -12.593 -8.256 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -24.795 -11.987 -8.892 1.00 0.00 N ATOM 0 H HIS A 83 -27.686 -11.370 -3.724 1.00 0.00 H new ATOM 0 HA HIS A 83 -25.148 -10.511 -4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.522 -12.732 -4.754 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -27.061 -12.414 -5.530 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -23.555 -13.112 -6.253 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -26.717 -11.180 -8.208 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -22.894 -12.952 -8.704 1.00 0.00 H new ATOM 1266 N LEU A 84 -27.259 -9.354 -6.482 1.00 0.00 N ATOM 1267 CA LEU A 84 -27.416 -8.374 -7.550 1.00 0.00 C ATOM 1268 C LEU A 84 -27.061 -6.974 -7.061 1.00 0.00 C ATOM 1269 O LEU A 84 -26.438 -6.193 -7.782 1.00 0.00 O ATOM 1270 CB LEU A 84 -28.851 -8.393 -8.079 1.00 0.00 C ATOM 1271 CG LEU A 84 -29.386 -9.755 -8.523 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -30.906 -9.762 -8.509 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -28.861 -10.110 -9.906 1.00 0.00 C ATOM 0 H LEU A 84 -28.124 -9.817 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 84 -26.734 -8.641 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -29.508 -8.003 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -28.914 -7.707 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 84 -29.034 -10.509 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -31.268 -10.739 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -31.262 -9.555 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -31.280 -8.997 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -29.252 -11.082 -10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -29.182 -9.354 -10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -27.772 -10.149 -9.883 1.00 0.00 H new ATOM 1285 N ARG A 85 -27.459 -6.663 -5.832 1.00 0.00 N ATOM 1286 CA ARG A 85 -27.181 -5.357 -5.247 1.00 0.00 C ATOM 1287 C ARG A 85 -25.801 -4.857 -5.662 1.00 0.00 C ATOM 1288 O ARG A 85 -25.649 -3.718 -6.104 1.00 0.00 O ATOM 1289 CB ARG A 85 -27.271 -5.429 -3.721 1.00 0.00 C ATOM 1290 CG ARG A 85 -28.641 -5.844 -3.211 1.00 0.00 C ATOM 1291 CD ARG A 85 -29.662 -4.731 -3.387 1.00 0.00 C ATOM 1292 NE ARG A 85 -31.016 -5.252 -3.558 1.00 0.00 N ATOM 1293 CZ ARG A 85 -31.793 -5.625 -2.547 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -31.352 -5.535 -1.300 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -33.013 -6.089 -2.782 1.00 0.00 N ATOM 0 H ARG A 85 -27.975 -7.297 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 85 -27.929 -4.655 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -26.527 -6.136 -3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -27.017 -4.454 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -28.975 -6.733 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -28.572 -6.112 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -29.634 -4.073 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -29.394 -4.127 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 85 -31.385 -5.334 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -30.414 -5.179 -1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -31.950 -5.822 -0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -33.356 -6.160 -3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -33.608 -6.375 -2.005 1.00 0.00 H new ATOM 1309 N SER A 86 -24.797 -5.716 -5.518 1.00 0.00 N ATOM 1310 CA SER A 86 -23.429 -5.361 -5.874 1.00 0.00 C ATOM 1311 C SER A 86 -23.376 -4.727 -7.261 1.00 0.00 C ATOM 1312 O SER A 86 -22.803 -3.653 -7.444 1.00 0.00 O ATOM 1313 CB SER A 86 -22.530 -6.598 -5.832 1.00 0.00 C ATOM 1314 OG SER A 86 -22.302 -7.017 -4.497 1.00 0.00 O ATOM 0 H SER A 86 -24.906 -6.664 -5.157 1.00 0.00 H new ATOM 0 HA SER A 86 -23.068 -4.634 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 86 -22.993 -7.407 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.578 -6.376 -6.315 1.00 0.00 H new ATOM 0 HG SER A 86 -21.726 -7.810 -4.497 1.00 0.00 H new ATOM 1320 N HIS A 87 -23.978 -5.401 -8.236 1.00 0.00 N ATOM 1321 CA HIS A 87 -24.000 -4.905 -9.608 1.00 0.00 C ATOM 1322 C HIS A 87 -24.580 -3.495 -9.666 1.00 0.00 C ATOM 1323 O HIS A 87 -23.876 -2.535 -9.980 1.00 0.00 O ATOM 1324 CB HIS A 87 -24.817 -5.842 -10.498 1.00 0.00 C ATOM 1325 CG HIS A 87 -24.253 -7.227 -10.587 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -22.910 -7.482 -10.764 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -24.859 -8.435 -10.521 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -22.714 -8.788 -10.805 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -23.881 -9.389 -10.659 1.00 0.00 N ATOM 0 H HIS A 87 -24.457 -6.292 -8.102 1.00 0.00 H new ATOM 0 HA HIS A 87 -22.974 -4.872 -9.973 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -25.836 -5.897 -10.114 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -24.876 -5.418 -11.500 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -25.915 -8.615 -10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -21.762 -9.280 -10.936 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -24.031 -10.398 -10.650 1.00 0.00 H new