USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 719 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 TYR OH : rot -50:sc= 0.0614 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.264 (180deg=-1.09) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0.0047) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 6 SER OG : rot 150:sc= -2.74! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -9.15! C(o=-9.1!,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0434 (180deg=-0.321) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= -2.27! (180deg=-4.32!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.033 USER MOD Single : A 23 HIS : no HD1:sc= -3.33 K(o=-3.3,f=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.949 (180deg=-1.34) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 125:sc= 0.152 USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.036 (180deg=-0.446) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 151:sc= -0.171 (180deg=-0.798) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= -0.109 (180deg=-0.45) USER MOD Single : A 51 SER OG : rot -63:sc= 1.05 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 120:sc= -1.72 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00783 USER MOD Single : A 62 CYS SG : rot 24:sc= 0.244 USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.0914 (180deg=-0.768) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0189) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= -0.0922 (180deg=-0.701) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 120:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.610 12.967 9.361 1.00 0.00 N ATOM 2 CA MET A 1 -9.342 12.192 9.321 1.00 0.00 C ATOM 3 C MET A 1 -9.238 11.242 10.511 1.00 0.00 C ATOM 4 O MET A 1 -9.014 11.670 11.643 1.00 0.00 O ATOM 5 CB MET A 1 -8.169 13.175 9.326 1.00 0.00 C ATOM 6 CG MET A 1 -8.195 14.147 10.495 1.00 0.00 C ATOM 7 SD MET A 1 -7.155 15.594 10.221 1.00 0.00 S ATOM 8 CE MET A 1 -8.174 16.882 10.933 1.00 0.00 C ATOM 0 H1 MET A 1 -10.430 13.944 9.053 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.306 12.527 8.726 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.983 12.973 10.332 1.00 0.00 H new ATOM 0 HA MET A 1 -9.321 11.587 8.415 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.235 12.613 9.352 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.175 13.740 8.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.221 14.470 10.670 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.864 13.633 11.397 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.665 17.841 10.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.127 16.924 10.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.351 16.665 11.987 1.00 0.00 H new ATOM 20 N VAL A 2 -9.401 9.950 10.244 1.00 0.00 N ATOM 21 CA VAL A 2 -9.326 8.933 11.289 1.00 0.00 C ATOM 22 C VAL A 2 -8.149 7.986 11.057 1.00 0.00 C ATOM 23 O VAL A 2 -8.108 6.887 11.610 1.00 0.00 O ATOM 24 CB VAL A 2 -10.633 8.113 11.388 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.610 7.222 12.621 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.843 9.038 11.415 1.00 0.00 C ATOM 0 H VAL A 2 -9.586 9.581 9.311 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.178 9.464 12.229 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.709 7.476 10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.537 6.652 12.675 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.765 6.536 12.558 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.511 7.839 13.514 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.754 8.444 11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.775 9.701 12.278 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.867 9.633 10.502 1.00 0.00 H new ATOM 36 N GLN A 3 -7.197 8.414 10.229 1.00 0.00 N ATOM 37 CA GLN A 3 -6.031 7.602 9.920 1.00 0.00 C ATOM 38 C GLN A 3 -5.050 8.400 9.081 1.00 0.00 C ATOM 39 O GLN A 3 -5.435 9.087 8.137 1.00 0.00 O ATOM 40 CB GLN A 3 -6.458 6.345 9.155 1.00 0.00 C ATOM 41 CG GLN A 3 -5.321 5.558 8.504 1.00 0.00 C ATOM 42 CD GLN A 3 -5.075 4.223 9.180 1.00 0.00 C ATOM 43 OE1 GLN A 3 -5.901 3.314 9.106 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.932 4.100 9.846 1.00 0.00 N ATOM 0 H GLN A 3 -7.215 9.321 9.762 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.549 7.309 10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.988 5.685 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.167 6.635 8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.555 5.391 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.407 6.152 8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.276 4.880 9.881 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.711 3.225 10.322 1.00 0.00 H new ATOM 53 N SER A 4 -3.785 8.297 9.429 1.00 0.00 N ATOM 54 CA SER A 4 -2.740 9.000 8.703 1.00 0.00 C ATOM 55 C SER A 4 -2.104 8.108 7.648 1.00 0.00 C ATOM 56 O SER A 4 -2.342 6.902 7.597 1.00 0.00 O ATOM 57 CB SER A 4 -1.659 9.525 9.645 1.00 0.00 C ATOM 58 OG SER A 4 -1.930 9.161 10.989 1.00 0.00 O ATOM 0 H SER A 4 -3.452 7.733 10.211 1.00 0.00 H new ATOM 0 HA SER A 4 -3.215 9.848 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.689 9.128 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.598 10.610 9.564 1.00 0.00 H new ATOM 0 HG SER A 4 -1.222 9.508 11.571 1.00 0.00 H new ATOM 64 N CYS A 5 -1.301 8.732 6.802 1.00 0.00 N ATOM 65 CA CYS A 5 -0.616 8.047 5.720 1.00 0.00 C ATOM 66 C CYS A 5 0.802 8.616 5.572 1.00 0.00 C ATOM 67 O CYS A 5 1.159 9.571 6.262 1.00 0.00 O ATOM 68 CB CYS A 5 -1.484 8.186 4.459 1.00 0.00 C ATOM 69 SG CYS A 5 -0.690 8.914 3.011 1.00 0.00 S ATOM 0 H CYS A 5 -1.106 9.732 6.847 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.488 6.982 5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.850 7.196 4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.356 8.790 4.710 1.00 0.00 H new ATOM 74 N SER A 6 1.620 8.024 4.703 1.00 0.00 N ATOM 75 CA SER A 6 2.995 8.486 4.527 1.00 0.00 C ATOM 76 C SER A 6 3.027 9.848 3.867 1.00 0.00 C ATOM 77 O SER A 6 3.746 10.747 4.300 1.00 0.00 O ATOM 78 CB SER A 6 3.793 7.488 3.690 1.00 0.00 C ATOM 79 OG SER A 6 5.158 7.862 3.629 1.00 0.00 O ATOM 0 H SER A 6 1.358 7.232 4.116 1.00 0.00 H new ATOM 0 HA SER A 6 3.450 8.566 5.514 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.703 6.491 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.379 7.438 2.683 1.00 0.00 H new ATOM 0 HG SER A 6 5.713 7.060 3.540 1.00 0.00 H new ATOM 85 N ALA A 7 2.240 9.985 2.813 1.00 0.00 N ATOM 86 CA ALA A 7 2.164 11.244 2.072 1.00 0.00 C ATOM 87 C ALA A 7 2.074 12.437 3.025 1.00 0.00 C ATOM 88 O ALA A 7 1.288 12.428 3.973 1.00 0.00 O ATOM 89 CB ALA A 7 0.980 11.229 1.116 1.00 0.00 C ATOM 0 H ALA A 7 1.643 9.243 2.447 1.00 0.00 H new ATOM 0 HA ALA A 7 3.078 11.349 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.939 12.173 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.094 10.408 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.058 11.095 1.681 1.00 0.00 H new ATOM 95 N TYR A 8 2.891 13.453 2.772 1.00 0.00 N ATOM 96 CA TYR A 8 2.910 14.649 3.617 1.00 0.00 C ATOM 97 C TYR A 8 1.662 15.497 3.384 1.00 0.00 C ATOM 98 O TYR A 8 1.339 15.842 2.247 1.00 0.00 O ATOM 99 CB TYR A 8 4.171 15.483 3.336 1.00 0.00 C ATOM 100 CG TYR A 8 5.147 15.570 4.500 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.702 15.564 5.821 1.00 0.00 C ATOM 102 CD2 TYR A 8 6.520 15.665 4.276 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.592 15.645 6.875 1.00 0.00 C ATOM 104 CE2 TYR A 8 7.412 15.747 5.329 1.00 0.00 C ATOM 105 CZ TYR A 8 6.943 15.737 6.623 1.00 0.00 C ATOM 106 OH TYR A 8 7.831 15.818 7.673 1.00 0.00 O ATOM 0 H TYR A 8 3.548 13.476 1.992 1.00 0.00 H new ATOM 0 HA TYR A 8 2.922 14.328 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.688 15.056 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.868 16.492 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.644 15.495 6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.893 15.675 3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.230 15.636 7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.472 15.819 5.137 1.00 0.00 H new ATOM 0 HH TYR A 8 8.745 15.876 7.325 1.00 0.00 H new ATOM 116 N GLY A 9 0.964 15.835 4.467 1.00 0.00 N ATOM 117 CA GLY A 9 -0.238 16.642 4.357 1.00 0.00 C ATOM 118 C GLY A 9 -1.266 16.022 3.439 1.00 0.00 C ATOM 119 O GLY A 9 -1.808 16.685 2.555 1.00 0.00 O ATOM 0 H GLY A 9 1.211 15.563 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.673 16.777 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.025 17.633 3.987 1.00 0.00 H new ATOM 123 N CYS A 10 -1.524 14.745 3.649 1.00 0.00 N ATOM 124 CA CYS A 10 -2.482 14.012 2.843 1.00 0.00 C ATOM 125 C CYS A 10 -3.919 14.340 3.261 1.00 0.00 C ATOM 126 O CYS A 10 -4.159 14.814 4.372 1.00 0.00 O ATOM 127 CB CYS A 10 -2.217 12.509 2.958 1.00 0.00 C ATOM 128 SG CYS A 10 -3.213 11.518 1.828 1.00 0.00 S ATOM 0 H CYS A 10 -1.078 14.189 4.379 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.362 14.314 1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.162 12.318 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.416 12.190 3.981 1.00 0.00 H new ATOM 133 N LYS A 11 -4.870 14.096 2.358 1.00 0.00 N ATOM 134 CA LYS A 11 -6.276 14.375 2.622 1.00 0.00 C ATOM 135 C LYS A 11 -7.064 13.093 2.883 1.00 0.00 C ATOM 136 O LYS A 11 -8.292 13.077 2.793 1.00 0.00 O ATOM 137 CB LYS A 11 -6.891 15.133 1.444 1.00 0.00 C ATOM 138 CG LYS A 11 -7.759 16.305 1.862 1.00 0.00 C ATOM 139 CD LYS A 11 -6.926 17.559 2.041 1.00 0.00 C ATOM 140 CE LYS A 11 -7.692 18.630 2.799 1.00 0.00 C ATOM 141 NZ LYS A 11 -8.732 19.274 1.949 1.00 0.00 N ATOM 0 H LYS A 11 -4.687 13.704 1.434 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.330 14.991 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.091 15.496 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.490 14.442 0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.528 16.479 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.272 16.068 2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.010 17.315 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.630 17.943 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.163 18.187 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.996 19.388 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.232 19.999 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.280 19.718 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.411 18.555 1.626 1.00 0.00 H new ATOM 155 N ASN A 12 -6.349 12.024 3.203 1.00 0.00 N ATOM 156 CA ASN A 12 -6.957 10.735 3.480 1.00 0.00 C ATOM 157 C ASN A 12 -7.859 10.788 4.707 1.00 0.00 C ATOM 158 O ASN A 12 -7.748 11.692 5.535 1.00 0.00 O ATOM 159 CB ASN A 12 -5.855 9.715 3.713 1.00 0.00 C ATOM 160 CG ASN A 12 -5.068 10.022 4.971 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.637 10.260 6.036 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.758 10.021 4.851 1.00 0.00 N ATOM 0 H ASN A 12 -5.332 12.028 3.277 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.572 10.455 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.291 8.719 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.182 9.703 2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.172 10.223 5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.329 9.818 3.948 1.00 0.00 H new ATOM 169 N ARG A 13 -8.734 9.798 4.825 1.00 0.00 N ATOM 170 CA ARG A 13 -9.640 9.718 5.971 1.00 0.00 C ATOM 171 C ARG A 13 -10.292 8.344 6.082 1.00 0.00 C ATOM 172 O ARG A 13 -11.103 7.961 5.239 1.00 0.00 O ATOM 173 CB ARG A 13 -10.724 10.799 5.898 1.00 0.00 C ATOM 174 CG ARG A 13 -11.036 11.286 4.489 1.00 0.00 C ATOM 175 CD ARG A 13 -10.685 12.755 4.316 1.00 0.00 C ATOM 176 NE ARG A 13 -11.493 13.614 5.178 1.00 0.00 N ATOM 177 CZ ARG A 13 -11.231 14.900 5.401 1.00 0.00 C ATOM 178 NH1 ARG A 13 -10.186 15.481 4.823 1.00 0.00 N ATOM 179 NH2 ARG A 13 -12.015 15.608 6.201 1.00 0.00 N ATOM 0 H ARG A 13 -8.838 9.042 4.148 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.034 9.884 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.639 10.409 6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.411 11.651 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.479 10.690 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.095 11.137 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.629 12.905 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.833 13.043 3.275 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.307 13.204 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.580 14.942 4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.990 16.467 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.820 15.168 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.813 16.593 6.371 1.00 0.00 H new ATOM 193 N TYR A 14 -9.943 7.610 7.138 1.00 0.00 N ATOM 194 CA TYR A 14 -10.508 6.287 7.365 1.00 0.00 C ATOM 195 C TYR A 14 -11.970 6.400 7.786 1.00 0.00 C ATOM 196 O TYR A 14 -12.287 6.369 8.974 1.00 0.00 O ATOM 197 CB TYR A 14 -9.704 5.558 8.442 1.00 0.00 C ATOM 198 CG TYR A 14 -10.100 4.109 8.625 1.00 0.00 C ATOM 199 CD1 TYR A 14 -11.175 3.753 9.431 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.393 3.096 7.990 1.00 0.00 C ATOM 201 CE1 TYR A 14 -11.534 2.429 9.596 1.00 0.00 C ATOM 202 CE2 TYR A 14 -9.747 1.770 8.151 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.818 1.442 8.955 1.00 0.00 C ATOM 204 OH TYR A 14 -11.173 0.122 9.118 1.00 0.00 O ATOM 0 H TYR A 14 -9.273 7.911 7.846 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.458 5.718 6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.645 5.606 8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.827 6.081 9.390 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.739 4.523 9.936 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.553 3.349 7.360 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.373 2.169 10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.187 0.994 7.649 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.568 -0.446 8.597 1.00 0.00 H new ATOM 214 N ASP A 15 -12.854 6.544 6.805 1.00 0.00 N ATOM 215 CA ASP A 15 -14.283 6.671 7.078 1.00 0.00 C ATOM 216 C ASP A 15 -15.060 5.485 6.521 1.00 0.00 C ATOM 217 O ASP A 15 -14.654 4.873 5.532 1.00 0.00 O ATOM 218 CB ASP A 15 -14.825 7.968 6.484 1.00 0.00 C ATOM 219 CG ASP A 15 -16.161 8.364 7.081 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.465 7.916 8.206 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.904 9.123 6.424 1.00 0.00 O ATOM 0 H ASP A 15 -12.608 6.576 5.816 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.413 6.689 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.105 8.769 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.932 7.853 5.405 1.00 0.00 H new ATOM 226 N LYS A 16 -16.183 5.170 7.156 1.00 0.00 N ATOM 227 CA LYS A 16 -17.025 4.060 6.718 1.00 0.00 C ATOM 228 C LYS A 16 -17.504 4.282 5.290 1.00 0.00 C ATOM 229 O LYS A 16 -17.744 3.331 4.544 1.00 0.00 O ATOM 230 CB LYS A 16 -18.230 3.904 7.652 1.00 0.00 C ATOM 231 CG LYS A 16 -19.206 2.813 7.231 1.00 0.00 C ATOM 232 CD LYS A 16 -20.361 3.384 6.423 1.00 0.00 C ATOM 233 CE LYS A 16 -21.259 2.287 5.873 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.503 1.212 6.874 1.00 0.00 N ATOM 0 H LYS A 16 -16.533 5.666 7.976 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.430 3.147 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.871 3.687 8.658 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.763 4.854 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.682 2.062 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.593 2.308 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.948 4.054 7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.969 3.981 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.211 2.718 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.801 1.856 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.315 0.636 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.659 0.609 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.705 1.640 7.800 1.00 0.00 H new ATOM 248 N ASP A 17 -17.639 5.547 4.923 1.00 0.00 N ATOM 249 CA ASP A 17 -18.086 5.921 3.592 1.00 0.00 C ATOM 250 C ASP A 17 -16.925 5.890 2.610 1.00 0.00 C ATOM 251 O ASP A 17 -16.986 5.226 1.577 1.00 0.00 O ATOM 252 CB ASP A 17 -18.692 7.321 3.632 1.00 0.00 C ATOM 253 CG ASP A 17 -20.181 7.315 3.343 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.604 6.580 2.426 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.923 8.044 4.034 1.00 0.00 O ATOM 0 H ASP A 17 -17.443 6.338 5.536 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.839 5.206 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.517 7.762 4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.186 7.954 2.903 1.00 0.00 H new ATOM 260 N LYS A 18 -15.867 6.620 2.946 1.00 0.00 N ATOM 261 CA LYS A 18 -14.682 6.691 2.105 1.00 0.00 C ATOM 262 C LYS A 18 -13.889 5.384 2.169 1.00 0.00 C ATOM 263 O LYS A 18 -13.285 5.071 3.196 1.00 0.00 O ATOM 264 CB LYS A 18 -13.800 7.853 2.557 1.00 0.00 C ATOM 265 CG LYS A 18 -12.654 8.157 1.604 1.00 0.00 C ATOM 266 CD LYS A 18 -12.936 9.382 0.732 1.00 0.00 C ATOM 267 CE LYS A 18 -14.247 9.271 -0.043 1.00 0.00 C ATOM 268 NZ LYS A 18 -15.428 9.595 0.805 1.00 0.00 N ATOM 0 H LYS A 18 -15.808 7.173 3.801 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.999 6.851 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.417 8.745 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.392 7.626 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.742 8.323 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.476 7.292 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.967 10.271 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.114 9.518 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.220 9.945 -0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.350 8.260 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.118 10.137 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.868 8.714 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.123 10.161 1.623 1.00 0.00 H new ATOM 282 N PRO A 19 -13.880 4.594 1.077 1.00 0.00 N ATOM 283 CA PRO A 19 -13.161 3.313 1.026 1.00 0.00 C ATOM 284 C PRO A 19 -11.652 3.463 0.892 1.00 0.00 C ATOM 285 O PRO A 19 -10.978 2.621 0.299 1.00 0.00 O ATOM 286 CB PRO A 19 -13.711 2.665 -0.229 1.00 0.00 C ATOM 287 CG PRO A 19 -14.052 3.825 -1.107 1.00 0.00 C ATOM 288 CD PRO A 19 -14.582 4.865 -0.189 1.00 0.00 C ATOM 0 HA PRO A 19 -13.306 2.747 1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.975 2.011 -0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.588 2.055 -0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.174 4.184 -1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.793 3.547 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.373 5.870 -0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.663 4.786 -0.074 1.00 0.00 H new ATOM 296 N VAL A 20 -11.144 4.537 1.439 1.00 0.00 N ATOM 297 CA VAL A 20 -9.722 4.834 1.394 1.00 0.00 C ATOM 298 C VAL A 20 -8.931 3.943 2.354 1.00 0.00 C ATOM 299 O VAL A 20 -8.582 4.357 3.459 1.00 0.00 O ATOM 300 CB VAL A 20 -9.468 6.317 1.731 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.883 6.631 3.162 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.010 6.681 1.493 1.00 0.00 C ATOM 0 H VAL A 20 -11.700 5.237 1.931 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.379 4.631 0.379 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.081 6.925 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.693 7.683 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.945 6.422 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.308 6.013 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.853 7.732 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.373 6.062 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.758 6.510 0.446 1.00 0.00 H new ATOM 312 N SER A 21 -8.649 2.717 1.923 1.00 0.00 N ATOM 313 CA SER A 21 -7.897 1.776 2.745 1.00 0.00 C ATOM 314 C SER A 21 -6.454 2.240 2.918 1.00 0.00 C ATOM 315 O SER A 21 -5.977 3.101 2.179 1.00 0.00 O ATOM 316 CB SER A 21 -7.921 0.382 2.119 1.00 0.00 C ATOM 317 OG SER A 21 -8.068 0.456 0.712 1.00 0.00 O ATOM 0 H SER A 21 -8.929 2.353 1.012 1.00 0.00 H new ATOM 0 HA SER A 21 -8.370 1.733 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.999 -0.146 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.742 -0.196 2.543 1.00 0.00 H new ATOM 0 HG SER A 21 -8.079 -0.449 0.336 1.00 0.00 H new ATOM 323 N PHE A 22 -5.764 1.666 3.898 1.00 0.00 N ATOM 324 CA PHE A 22 -4.377 2.023 4.165 1.00 0.00 C ATOM 325 C PHE A 22 -3.479 0.791 4.124 1.00 0.00 C ATOM 326 O PHE A 22 -3.902 -0.313 4.467 1.00 0.00 O ATOM 327 CB PHE A 22 -4.268 2.723 5.519 1.00 0.00 C ATOM 328 CG PHE A 22 -4.760 4.145 5.487 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.093 4.419 5.228 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.892 5.206 5.705 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.554 5.722 5.189 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.348 6.512 5.666 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.681 6.770 5.408 1.00 0.00 C ATOM 0 H PHE A 22 -6.143 0.952 4.520 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.041 2.708 3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.840 2.163 6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.228 2.711 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.781 3.605 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.849 5.010 5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.596 5.920 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.663 7.329 5.837 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.039 7.788 5.378 1.00 0.00 H new ATOM 343 N HIS A 23 -2.243 0.990 3.684 1.00 0.00 N ATOM 344 CA HIS A 23 -1.277 -0.097 3.570 1.00 0.00 C ATOM 345 C HIS A 23 0.054 0.284 4.209 1.00 0.00 C ATOM 346 O HIS A 23 0.390 1.459 4.284 1.00 0.00 O ATOM 347 CB HIS A 23 -1.065 -0.431 2.091 1.00 0.00 C ATOM 348 CG HIS A 23 -2.347 -0.511 1.324 1.00 0.00 C ATOM 349 ND1 HIS A 23 -2.859 -1.689 0.826 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.232 0.455 0.988 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.004 -1.444 0.215 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.255 -0.150 0.300 1.00 0.00 N ATOM 0 H HIS A 23 -1.883 1.901 3.398 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.668 -0.968 4.096 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.424 0.327 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.539 -1.382 2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.149 1.507 1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.629 -2.178 -0.272 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.074 0.322 -0.083 1.00 0.00 H new ATOM 361 N LYS A 24 0.822 -0.711 4.644 1.00 0.00 N ATOM 362 CA LYS A 24 2.124 -0.460 5.241 1.00 0.00 C ATOM 363 C LYS A 24 3.188 -0.578 4.174 1.00 0.00 C ATOM 364 O LYS A 24 2.880 -0.784 3.002 1.00 0.00 O ATOM 365 CB LYS A 24 2.425 -1.450 6.369 1.00 0.00 C ATOM 366 CG LYS A 24 1.299 -1.599 7.383 1.00 0.00 C ATOM 367 CD LYS A 24 0.252 -2.610 6.934 1.00 0.00 C ATOM 368 CE LYS A 24 0.816 -4.023 6.830 1.00 0.00 C ATOM 369 NZ LYS A 24 2.003 -4.233 7.708 1.00 0.00 N ATOM 0 H LYS A 24 0.563 -1.696 4.593 1.00 0.00 H new ATOM 0 HA LYS A 24 2.118 0.544 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.639 -2.426 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.327 -1.128 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.714 -1.910 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.823 -0.631 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.580 -2.605 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.148 -2.309 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.040 -4.740 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.094 -4.224 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.213 -5.250 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.823 -3.735 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.802 -3.861 8.658 1.00 0.00 H new ATOM 383 N PHE A 25 4.433 -0.471 4.579 1.00 0.00 N ATOM 384 CA PHE A 25 5.526 -0.593 3.626 1.00 0.00 C ATOM 385 C PHE A 25 5.846 -2.064 3.395 1.00 0.00 C ATOM 386 O PHE A 25 6.035 -2.827 4.341 1.00 0.00 O ATOM 387 CB PHE A 25 6.761 0.203 4.054 1.00 0.00 C ATOM 388 CG PHE A 25 7.054 1.331 3.099 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.486 2.582 3.286 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.867 1.128 1.993 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.724 3.611 2.387 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.113 2.154 1.095 1.00 0.00 C ATOM 393 CZ PHE A 25 7.540 3.396 1.291 1.00 0.00 C ATOM 0 H PHE A 25 4.717 -0.303 5.544 1.00 0.00 H new ATOM 0 HA PHE A 25 5.205 -0.156 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.606 0.605 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.623 -0.462 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.851 2.757 4.142 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.314 0.158 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.272 4.580 2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.753 1.983 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.729 4.196 0.591 1.00 0.00 H new ATOM 403 N PRO A 26 5.850 -2.488 2.120 1.00 0.00 N ATOM 404 CA PRO A 26 6.079 -3.882 1.742 1.00 0.00 C ATOM 405 C PRO A 26 7.552 -4.246 1.572 1.00 0.00 C ATOM 406 O PRO A 26 8.381 -3.402 1.230 1.00 0.00 O ATOM 407 CB PRO A 26 5.346 -3.942 0.409 1.00 0.00 C ATOM 408 CG PRO A 26 5.644 -2.626 -0.206 1.00 0.00 C ATOM 409 CD PRO A 26 5.579 -1.648 0.932 1.00 0.00 C ATOM 0 HA PRO A 26 5.738 -4.586 2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.704 -4.765 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.275 -4.088 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.628 -2.622 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.920 -2.379 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.319 -0.855 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.603 -1.167 0.994 1.00 0.00 H new ATOM 417 N LEU A 27 7.861 -5.519 1.812 1.00 0.00 N ATOM 418 CA LEU A 27 9.218 -6.024 1.688 1.00 0.00 C ATOM 419 C LEU A 27 9.346 -6.979 0.504 1.00 0.00 C ATOM 420 O LEU A 27 10.415 -7.101 -0.094 1.00 0.00 O ATOM 421 CB LEU A 27 9.649 -6.732 2.976 1.00 0.00 C ATOM 422 CG LEU A 27 8.977 -8.086 3.235 1.00 0.00 C ATOM 423 CD1 LEU A 27 10.016 -9.196 3.295 1.00 0.00 C ATOM 424 CD2 LEU A 27 8.166 -8.045 4.522 1.00 0.00 C ATOM 0 H LEU A 27 7.179 -6.222 2.096 1.00 0.00 H new ATOM 0 HA LEU A 27 9.873 -5.171 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.728 -6.880 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.441 -6.074 3.820 1.00 0.00 H new ATOM 0 HG LEU A 27 8.298 -8.294 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.520 -10.149 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.553 -9.244 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.721 -8.992 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.697 -9.015 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.824 -7.812 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.395 -7.278 4.442 1.00 0.00 H new ATOM 436 N THR A 28 8.247 -7.650 0.165 1.00 0.00 N ATOM 437 CA THR A 28 8.240 -8.588 -0.953 1.00 0.00 C ATOM 438 C THR A 28 8.516 -7.850 -2.255 1.00 0.00 C ATOM 439 O THR A 28 9.068 -8.412 -3.200 1.00 0.00 O ATOM 440 CB THR A 28 6.895 -9.313 -1.034 1.00 0.00 C ATOM 441 OG1 THR A 28 5.830 -8.383 -1.114 1.00 0.00 O ATOM 442 CG2 THR A 28 6.630 -10.216 0.151 1.00 0.00 C ATOM 0 H THR A 28 7.353 -7.561 0.648 1.00 0.00 H new ATOM 0 HA THR A 28 9.024 -9.328 -0.792 1.00 0.00 H new ATOM 0 HB THR A 28 6.950 -9.928 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.978 -8.865 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.660 -10.699 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.409 -10.976 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.629 -9.624 1.066 1.00 0.00 H new ATOM 450 N ARG A 29 8.131 -6.580 -2.281 1.00 0.00 N ATOM 451 CA ARG A 29 8.327 -5.723 -3.432 1.00 0.00 C ATOM 452 C ARG A 29 9.460 -4.740 -3.130 1.00 0.00 C ATOM 453 O ARG A 29 9.235 -3.737 -2.464 1.00 0.00 O ATOM 454 CB ARG A 29 7.017 -4.986 -3.707 1.00 0.00 C ATOM 455 CG ARG A 29 7.085 -4.039 -4.881 1.00 0.00 C ATOM 456 CD ARG A 29 6.966 -2.602 -4.413 1.00 0.00 C ATOM 457 NE ARG A 29 5.593 -2.104 -4.528 1.00 0.00 N ATOM 458 CZ ARG A 29 5.242 -0.924 -5.060 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.155 -0.036 -5.463 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.962 -0.625 -5.171 1.00 0.00 N ATOM 0 H ARG A 29 7.672 -6.118 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 29 8.601 -6.302 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.230 -5.718 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.732 -4.426 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.026 -4.177 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.284 -4.266 -5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.293 -2.529 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.632 -1.972 -5.002 1.00 0.00 H new ATOM 0 HE ARG A 29 4.845 -2.702 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.148 -0.248 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.859 0.854 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.254 -1.288 -4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.680 0.269 -5.574 1.00 0.00 H new ATOM 474 N PRO A 30 10.706 -5.050 -3.567 1.00 0.00 N ATOM 475 CA PRO A 30 11.884 -4.219 -3.297 1.00 0.00 C ATOM 476 C PRO A 30 12.239 -3.194 -4.383 1.00 0.00 C ATOM 477 O PRO A 30 12.080 -1.994 -4.174 1.00 0.00 O ATOM 478 CB PRO A 30 12.974 -5.260 -3.166 1.00 0.00 C ATOM 479 CG PRO A 30 12.573 -6.377 -4.085 1.00 0.00 C ATOM 480 CD PRO A 30 11.079 -6.265 -4.312 1.00 0.00 C ATOM 0 HA PRO A 30 11.723 -3.584 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.944 -4.850 -3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.061 -5.610 -2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.111 -6.308 -5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.823 -7.343 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.840 -6.175 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.550 -7.142 -3.939 1.00 0.00 H new ATOM 488 N SER A 31 12.730 -3.645 -5.537 1.00 0.00 N ATOM 489 CA SER A 31 13.096 -2.716 -6.609 1.00 0.00 C ATOM 490 C SER A 31 11.943 -1.771 -6.879 1.00 0.00 C ATOM 491 O SER A 31 12.087 -0.547 -6.834 1.00 0.00 O ATOM 492 CB SER A 31 13.473 -3.481 -7.882 1.00 0.00 C ATOM 493 OG SER A 31 13.263 -2.690 -9.039 1.00 0.00 O ATOM 0 H SER A 31 12.882 -4.630 -5.753 1.00 0.00 H new ATOM 0 HA SER A 31 13.964 -2.137 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.519 -3.784 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.880 -4.393 -7.950 1.00 0.00 H new ATOM 0 HG SER A 31 13.513 -3.203 -9.836 1.00 0.00 H new ATOM 499 N LEU A 32 10.790 -2.360 -7.098 1.00 0.00 N ATOM 500 CA LEU A 32 9.572 -1.611 -7.320 1.00 0.00 C ATOM 501 C LEU A 32 9.325 -0.723 -6.104 1.00 0.00 C ATOM 502 O LEU A 32 8.832 0.397 -6.215 1.00 0.00 O ATOM 503 CB LEU A 32 8.420 -2.587 -7.505 1.00 0.00 C ATOM 504 CG LEU A 32 7.029 -1.970 -7.697 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.108 -0.586 -8.316 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.170 -2.872 -8.561 1.00 0.00 C ATOM 0 H LEU A 32 10.669 -3.372 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 32 9.655 -0.990 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.638 -3.214 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.386 -3.244 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 32 6.575 -1.871 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.102 -0.183 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.687 0.071 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.591 -0.650 -9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.185 -2.423 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.641 -2.999 -9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.065 -3.844 -8.080 1.00 0.00 H new ATOM 518 N CYS A 33 9.684 -1.252 -4.931 1.00 0.00 N ATOM 519 CA CYS A 33 9.517 -0.535 -3.667 1.00 0.00 C ATOM 520 C CYS A 33 10.099 0.865 -3.747 1.00 0.00 C ATOM 521 O CYS A 33 9.593 1.794 -3.121 1.00 0.00 O ATOM 522 CB CYS A 33 10.202 -1.292 -2.538 1.00 0.00 C ATOM 523 SG CYS A 33 9.491 -0.986 -0.904 1.00 0.00 S ATOM 0 H CYS A 33 10.095 -2.180 -4.832 1.00 0.00 H new ATOM 0 HA CYS A 33 8.448 -0.461 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.153 -2.360 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.257 -1.019 -2.520 1.00 0.00 H new ATOM 0 HG CYS A 33 9.150 -2.117 -0.361 1.00 0.00 H new ATOM 529 N LYS A 34 11.156 1.019 -4.533 1.00 0.00 N ATOM 530 CA LYS A 34 11.782 2.314 -4.703 1.00 0.00 C ATOM 531 C LYS A 34 10.700 3.310 -5.086 1.00 0.00 C ATOM 532 O LYS A 34 10.689 4.456 -4.637 1.00 0.00 O ATOM 533 CB LYS A 34 12.874 2.233 -5.788 1.00 0.00 C ATOM 534 CG LYS A 34 13.290 3.587 -6.352 1.00 0.00 C ATOM 535 CD LYS A 34 14.294 3.445 -7.494 1.00 0.00 C ATOM 536 CE LYS A 34 13.842 2.439 -8.549 1.00 0.00 C ATOM 537 NZ LYS A 34 14.094 2.935 -9.931 1.00 0.00 N ATOM 0 H LYS A 34 11.594 0.263 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 34 12.262 2.635 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.752 1.740 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.515 1.606 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.408 4.118 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.727 4.192 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.444 4.417 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.257 3.134 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.367 1.496 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.779 2.235 -8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.033 2.142 -10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.382 3.652 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.043 3.358 -9.980 1.00 0.00 H new ATOM 551 N GLU A 35 9.766 2.830 -5.894 1.00 0.00 N ATOM 552 CA GLU A 35 8.648 3.619 -6.337 1.00 0.00 C ATOM 553 C GLU A 35 7.889 4.151 -5.144 1.00 0.00 C ATOM 554 O GLU A 35 7.469 5.308 -5.111 1.00 0.00 O ATOM 555 CB GLU A 35 7.720 2.770 -7.203 1.00 0.00 C ATOM 556 CG GLU A 35 8.417 2.213 -8.412 1.00 0.00 C ATOM 557 CD GLU A 35 7.472 1.947 -9.567 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.385 2.561 -9.597 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.820 1.127 -10.443 1.00 0.00 O ATOM 0 H GLU A 35 9.771 1.877 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 35 9.019 4.457 -6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.321 1.950 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.871 3.375 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.189 2.912 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.920 1.285 -8.140 1.00 0.00 H new ATOM 566 N TRP A 36 7.746 3.290 -4.151 1.00 0.00 N ATOM 567 CA TRP A 36 7.054 3.661 -2.926 1.00 0.00 C ATOM 568 C TRP A 36 7.755 4.835 -2.277 1.00 0.00 C ATOM 569 O TRP A 36 7.108 5.722 -1.721 1.00 0.00 O ATOM 570 CB TRP A 36 6.922 2.487 -1.982 1.00 0.00 C ATOM 571 CG TRP A 36 5.609 1.783 -2.108 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.975 1.404 -3.251 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.762 1.401 -1.033 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.786 0.783 -2.944 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.637 0.770 -1.577 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.855 1.526 0.342 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.613 0.267 -0.763 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.841 1.033 1.118 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.747 0.414 0.571 1.00 0.00 C ATOM 0 H TRP A 36 8.098 2.333 -4.167 1.00 0.00 H new ATOM 0 HA TRP A 36 6.038 3.966 -3.178 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.728 1.779 -2.176 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.044 2.836 -0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.350 1.567 -4.251 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.125 0.397 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.712 2.004 0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.748 -0.220 -1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.905 1.135 2.191 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.974 0.035 1.224 1.00 0.00 H new ATOM 590 N GLU A 37 9.077 4.879 -2.404 1.00 0.00 N ATOM 591 CA GLU A 37 9.831 6.001 -1.867 1.00 0.00 C ATOM 592 C GLU A 37 9.340 7.283 -2.514 1.00 0.00 C ATOM 593 O GLU A 37 9.262 8.334 -1.879 1.00 0.00 O ATOM 594 CB GLU A 37 11.311 5.816 -2.154 1.00 0.00 C ATOM 595 CG GLU A 37 11.866 4.515 -1.607 1.00 0.00 C ATOM 596 CD GLU A 37 13.184 4.699 -0.881 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.850 5.730 -1.114 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.551 3.814 -0.080 1.00 0.00 O ATOM 0 H GLU A 37 9.639 4.164 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 37 9.686 6.054 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.473 5.848 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.865 6.650 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.139 4.073 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.003 3.810 -2.427 1.00 0.00 H new ATOM 605 N ALA A 38 8.987 7.165 -3.787 1.00 0.00 N ATOM 606 CA ALA A 38 8.470 8.294 -4.546 1.00 0.00 C ATOM 607 C ALA A 38 7.183 8.788 -3.912 1.00 0.00 C ATOM 608 O ALA A 38 6.887 9.982 -3.912 1.00 0.00 O ATOM 609 CB ALA A 38 8.240 7.905 -5.998 1.00 0.00 C ATOM 0 H ALA A 38 9.050 6.295 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 38 9.205 9.099 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.853 8.763 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.182 7.584 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.519 7.089 -6.046 1.00 0.00 H new ATOM 615 N ALA A 39 6.437 7.850 -3.339 1.00 0.00 N ATOM 616 CA ALA A 39 5.191 8.166 -2.657 1.00 0.00 C ATOM 617 C ALA A 39 5.436 9.236 -1.605 1.00 0.00 C ATOM 618 O ALA A 39 4.537 9.996 -1.244 1.00 0.00 O ATOM 619 CB ALA A 39 4.614 6.912 -2.012 1.00 0.00 C ATOM 0 H ALA A 39 6.677 6.859 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 39 4.473 8.544 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.682 7.160 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.421 6.164 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.326 6.514 -1.289 1.00 0.00 H new ATOM 625 N VAL A 40 6.671 9.279 -1.114 1.00 0.00 N ATOM 626 CA VAL A 40 7.064 10.237 -0.099 1.00 0.00 C ATOM 627 C VAL A 40 7.904 11.362 -0.700 1.00 0.00 C ATOM 628 O VAL A 40 7.472 12.514 -0.745 1.00 0.00 O ATOM 629 CB VAL A 40 7.860 9.531 1.022 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.457 10.526 2.006 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.978 8.529 1.744 1.00 0.00 C ATOM 0 H VAL A 40 7.420 8.653 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 40 6.157 10.672 0.321 1.00 0.00 H new ATOM 0 HB VAL A 40 8.689 9.000 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.008 9.989 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.134 11.198 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.657 11.105 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.552 8.040 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.126 9.046 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.622 7.781 1.036 1.00 0.00 H new ATOM 641 N ARG A 41 9.108 11.024 -1.158 1.00 0.00 N ATOM 642 CA ARG A 41 10.006 12.013 -1.751 1.00 0.00 C ATOM 643 C ARG A 41 10.220 13.189 -0.802 1.00 0.00 C ATOM 644 O ARG A 41 10.499 14.308 -1.230 1.00 0.00 O ATOM 645 CB ARG A 41 9.433 12.512 -3.079 1.00 0.00 C ATOM 646 CG ARG A 41 10.367 13.441 -3.837 1.00 0.00 C ATOM 647 CD ARG A 41 11.165 12.691 -4.892 1.00 0.00 C ATOM 648 NE ARG A 41 12.443 13.340 -5.174 1.00 0.00 N ATOM 649 CZ ARG A 41 13.427 13.461 -4.285 1.00 0.00 C ATOM 650 NH1 ARG A 41 13.287 12.973 -3.058 1.00 0.00 N ATOM 651 NH2 ARG A 41 14.555 14.068 -4.624 1.00 0.00 N ATOM 0 H ARG A 41 9.483 10.076 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 41 10.969 11.536 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.199 11.654 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.495 13.032 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.788 14.232 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.050 13.922 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.343 11.670 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.581 12.626 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 41 12.590 13.723 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.422 12.502 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.044 13.069 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.669 14.443 -5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.309 14.161 -3.943 1.00 0.00 H new ATOM 665 N ARG A 42 10.069 12.933 0.490 1.00 0.00 N ATOM 666 CA ARG A 42 10.229 13.967 1.497 1.00 0.00 C ATOM 667 C ARG A 42 11.048 13.449 2.678 1.00 0.00 C ATOM 668 O ARG A 42 11.743 12.440 2.559 1.00 0.00 O ATOM 669 CB ARG A 42 8.842 14.422 1.950 1.00 0.00 C ATOM 670 CG ARG A 42 8.083 15.213 0.888 1.00 0.00 C ATOM 671 CD ARG A 42 6.583 14.973 0.969 1.00 0.00 C ATOM 672 NE ARG A 42 5.997 14.736 -0.348 1.00 0.00 N ATOM 673 CZ ARG A 42 5.905 15.666 -1.295 1.00 0.00 C ATOM 674 NH1 ARG A 42 6.358 16.894 -1.075 1.00 0.00 N ATOM 675 NH2 ARG A 42 5.358 15.369 -2.466 1.00 0.00 N ATOM 0 H ARG A 42 9.835 12.013 0.864 1.00 0.00 H new ATOM 0 HA ARG A 42 10.770 14.814 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.255 13.547 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.944 15.036 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.288 16.276 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.443 14.931 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.387 14.116 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.102 15.835 1.431 1.00 0.00 H new ATOM 0 HE ARG A 42 5.638 13.804 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.779 17.129 -0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.285 17.603 -1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.008 14.427 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.288 16.082 -3.192 1.00 0.00 H new ATOM 689 N LYS A 43 10.970 14.151 3.812 1.00 0.00 N ATOM 690 CA LYS A 43 11.710 13.774 5.022 1.00 0.00 C ATOM 691 C LYS A 43 11.846 12.257 5.151 1.00 0.00 C ATOM 692 O LYS A 43 10.964 11.509 4.730 1.00 0.00 O ATOM 693 CB LYS A 43 11.011 14.340 6.261 1.00 0.00 C ATOM 694 CG LYS A 43 11.762 14.082 7.557 1.00 0.00 C ATOM 695 CD LYS A 43 12.805 15.157 7.825 1.00 0.00 C ATOM 696 CE LYS A 43 14.188 14.558 8.029 1.00 0.00 C ATOM 697 NZ LYS A 43 14.303 13.855 9.337 1.00 0.00 N ATOM 0 H LYS A 43 10.398 14.989 3.918 1.00 0.00 H new ATOM 0 HA LYS A 43 12.712 14.195 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.881 15.415 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.015 13.905 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.055 14.045 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.248 13.107 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.831 15.856 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.521 15.728 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.403 13.859 7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.937 15.348 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.260 13.461 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.123 14.528 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.606 13.084 9.379 1.00 0.00 H new ATOM 711 N ASN A 44 12.963 11.816 5.729 1.00 0.00 N ATOM 712 CA ASN A 44 13.235 10.391 5.915 1.00 0.00 C ATOM 713 C ASN A 44 12.004 9.644 6.450 1.00 0.00 C ATOM 714 O ASN A 44 11.851 9.502 7.660 1.00 0.00 O ATOM 715 CB ASN A 44 14.399 10.207 6.890 1.00 0.00 C ATOM 716 CG ASN A 44 15.725 10.641 6.296 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.781 11.141 5.172 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.802 10.451 7.049 1.00 0.00 N ATOM 0 H ASN A 44 13.699 12.430 6.079 1.00 0.00 H new ATOM 0 HA ASN A 44 13.492 9.974 4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.205 10.781 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.461 9.159 7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.722 10.723 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.710 10.033 7.975 1.00 0.00 H new ATOM 725 N PHE A 45 11.129 9.176 5.544 1.00 0.00 N ATOM 726 CA PHE A 45 9.915 8.450 5.917 1.00 0.00 C ATOM 727 C PHE A 45 10.142 7.506 7.098 1.00 0.00 C ATOM 728 O PHE A 45 10.382 6.312 6.921 1.00 0.00 O ATOM 729 CB PHE A 45 9.396 7.657 4.706 1.00 0.00 C ATOM 730 CG PHE A 45 10.428 6.761 4.056 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.691 6.582 4.612 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.127 6.096 2.877 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.622 5.761 4.006 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.056 5.275 2.267 1.00 0.00 C ATOM 735 CZ PHE A 45 12.305 5.108 2.832 1.00 0.00 C ATOM 0 H PHE A 45 11.247 9.292 4.538 1.00 0.00 H new ATOM 0 HA PHE A 45 9.174 9.186 6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.550 7.046 5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.021 8.359 3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.947 7.092 5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.152 6.222 2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.598 5.630 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.806 4.764 1.349 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.033 4.467 2.356 1.00 0.00 H new ATOM 745 N LYS A 46 10.055 8.054 8.303 1.00 0.00 N ATOM 746 CA LYS A 46 10.243 7.267 9.517 1.00 0.00 C ATOM 747 C LYS A 46 9.195 6.157 9.602 1.00 0.00 C ATOM 748 O LYS A 46 8.005 6.430 9.755 1.00 0.00 O ATOM 749 CB LYS A 46 10.157 8.167 10.752 1.00 0.00 C ATOM 750 CG LYS A 46 10.746 7.538 12.006 1.00 0.00 C ATOM 751 CD LYS A 46 12.200 7.934 12.204 1.00 0.00 C ATOM 752 CE LYS A 46 12.329 9.157 13.098 1.00 0.00 C ATOM 753 NZ LYS A 46 11.803 8.901 14.467 1.00 0.00 N ATOM 0 H LYS A 46 9.855 9.041 8.467 1.00 0.00 H new ATOM 0 HA LYS A 46 11.232 6.811 9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.677 9.103 10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.112 8.417 10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.164 7.845 12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.670 6.453 11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.748 7.101 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.657 8.140 11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.376 9.452 13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.789 9.992 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.311 9.497 15.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.788 9.127 14.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.942 7.900 14.711 1.00 0.00 H new ATOM 767 N PRO A 47 9.620 4.885 9.484 1.00 0.00 N ATOM 768 CA PRO A 47 8.714 3.723 9.523 1.00 0.00 C ATOM 769 C PRO A 47 7.772 3.682 10.731 1.00 0.00 C ATOM 770 O PRO A 47 6.927 2.794 10.834 1.00 0.00 O ATOM 771 CB PRO A 47 9.682 2.545 9.563 1.00 0.00 C ATOM 772 CG PRO A 47 10.822 3.041 8.775 1.00 0.00 C ATOM 773 CD PRO A 47 11.015 4.456 9.266 1.00 0.00 C ATOM 0 HA PRO A 47 8.030 3.735 8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.973 2.293 10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.246 1.647 9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.714 2.436 8.939 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.610 3.014 7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.604 4.495 10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.526 5.079 8.532 1.00 0.00 H new ATOM 781 N THR A 48 7.916 4.636 11.641 1.00 0.00 N ATOM 782 CA THR A 48 7.074 4.695 12.832 1.00 0.00 C ATOM 783 C THR A 48 5.603 4.833 12.446 1.00 0.00 C ATOM 784 O THR A 48 4.766 4.019 12.838 1.00 0.00 O ATOM 785 CB THR A 48 7.496 5.877 13.712 1.00 0.00 C ATOM 786 OG1 THR A 48 6.602 6.040 14.801 1.00 0.00 O ATOM 787 CG2 THR A 48 7.539 7.186 12.954 1.00 0.00 C ATOM 0 H THR A 48 8.609 5.382 11.578 1.00 0.00 H new ATOM 0 HA THR A 48 7.200 3.768 13.391 1.00 0.00 H new ATOM 0 HB THR A 48 8.500 5.638 14.064 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.891 6.798 15.350 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.844 7.987 13.628 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.254 7.109 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.550 7.407 12.552 1.00 0.00 H new ATOM 795 N LYS A 49 5.302 5.867 11.671 1.00 0.00 N ATOM 796 CA LYS A 49 3.944 6.125 11.212 1.00 0.00 C ATOM 797 C LYS A 49 3.925 6.318 9.697 1.00 0.00 C ATOM 798 O LYS A 49 2.888 6.154 9.054 1.00 0.00 O ATOM 799 CB LYS A 49 3.377 7.370 11.899 1.00 0.00 C ATOM 800 CG LYS A 49 3.666 7.430 13.390 1.00 0.00 C ATOM 801 CD LYS A 49 2.743 8.409 14.097 1.00 0.00 C ATOM 802 CE LYS A 49 3.337 9.809 14.135 1.00 0.00 C ATOM 803 NZ LYS A 49 4.565 9.870 14.976 1.00 0.00 N ATOM 0 H LYS A 49 5.989 6.547 11.344 1.00 0.00 H new ATOM 0 HA LYS A 49 3.325 5.266 11.469 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.791 8.258 11.422 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.298 7.399 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.547 6.438 13.825 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.703 7.726 13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.780 8.435 13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.556 8.064 15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.576 10.130 13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.596 10.507 14.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.698 10.840 15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.466 9.222 15.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.390 9.591 14.407 1.00 0.00 H new ATOM 817 N TYR A 50 5.081 6.675 9.135 1.00 0.00 N ATOM 818 CA TYR A 50 5.199 6.898 7.706 1.00 0.00 C ATOM 819 C TYR A 50 5.264 5.582 6.937 1.00 0.00 C ATOM 820 O TYR A 50 4.945 5.547 5.749 1.00 0.00 O ATOM 821 CB TYR A 50 6.429 7.753 7.396 1.00 0.00 C ATOM 822 CG TYR A 50 6.321 9.171 7.915 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.295 10.008 7.496 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.246 9.671 8.824 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.194 11.304 7.967 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.151 10.966 9.299 1.00 0.00 C ATOM 827 CZ TYR A 50 6.124 11.777 8.868 1.00 0.00 C ATOM 828 OH TYR A 50 6.026 13.066 9.339 1.00 0.00 O ATOM 0 H TYR A 50 5.947 6.814 9.655 1.00 0.00 H new ATOM 0 HA TYR A 50 4.306 7.432 7.381 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.310 7.281 7.831 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.582 7.779 6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.564 9.641 6.791 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.052 9.038 9.165 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.391 11.943 7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.878 11.340 10.004 1.00 0.00 H new ATOM 0 HH TYR A 50 5.928 13.683 8.584 1.00 0.00 H new ATOM 838 N SER A 51 5.678 4.498 7.604 1.00 0.00 N ATOM 839 CA SER A 51 5.765 3.190 6.937 1.00 0.00 C ATOM 840 C SER A 51 4.381 2.677 6.525 1.00 0.00 C ATOM 841 O SER A 51 3.941 1.613 6.961 1.00 0.00 O ATOM 842 CB SER A 51 6.452 2.161 7.840 1.00 0.00 C ATOM 843 OG SER A 51 6.138 0.835 7.448 1.00 0.00 O ATOM 0 H SER A 51 5.954 4.497 8.586 1.00 0.00 H new ATOM 0 HA SER A 51 6.363 3.326 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.532 2.306 7.804 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.144 2.319 8.874 1.00 0.00 H new ATOM 0 HG SER A 51 5.174 0.686 7.542 1.00 0.00 H new ATOM 849 N SER A 52 3.704 3.440 5.676 1.00 0.00 N ATOM 850 CA SER A 52 2.381 3.074 5.188 1.00 0.00 C ATOM 851 C SER A 52 1.897 4.088 4.166 1.00 0.00 C ATOM 852 O SER A 52 2.175 5.278 4.278 1.00 0.00 O ATOM 853 CB SER A 52 1.382 2.974 6.340 1.00 0.00 C ATOM 854 OG SER A 52 1.382 4.157 7.121 1.00 0.00 O ATOM 0 H SER A 52 4.054 4.325 5.308 1.00 0.00 H new ATOM 0 HA SER A 52 2.455 2.096 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.382 2.796 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.632 2.120 6.969 1.00 0.00 H new ATOM 0 HG SER A 52 0.733 4.068 7.850 1.00 0.00 H new ATOM 860 N ILE A 53 1.170 3.611 3.173 1.00 0.00 N ATOM 861 CA ILE A 53 0.649 4.474 2.133 1.00 0.00 C ATOM 862 C ILE A 53 -0.867 4.327 2.076 1.00 0.00 C ATOM 863 O ILE A 53 -1.405 3.301 2.496 1.00 0.00 O ATOM 864 CB ILE A 53 1.256 4.081 0.765 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.783 3.876 0.872 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.908 5.084 -0.339 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.616 5.143 0.892 1.00 0.00 C ATOM 0 H ILE A 53 0.927 2.626 3.066 1.00 0.00 H new ATOM 0 HA ILE A 53 0.914 5.508 2.355 1.00 0.00 H new ATOM 0 HB ILE A 53 0.804 3.131 0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.993 3.311 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.109 3.262 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.358 4.762 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.175 5.137 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.293 6.068 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.672 4.883 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.447 5.704 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.329 5.754 1.748 1.00 0.00 H new ATOM 879 N CYS A 54 -1.563 5.338 1.572 1.00 0.00 N ATOM 880 CA CYS A 54 -3.010 5.272 1.495 1.00 0.00 C ATOM 881 C CYS A 54 -3.459 5.123 0.032 1.00 0.00 C ATOM 882 O CYS A 54 -2.702 5.435 -0.886 1.00 0.00 O ATOM 883 CB CYS A 54 -3.625 6.489 2.192 1.00 0.00 C ATOM 884 SG CYS A 54 -3.893 7.923 1.141 1.00 0.00 S ATOM 0 H CYS A 54 -1.153 6.201 1.216 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.371 4.389 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.580 6.194 2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.976 6.781 3.018 1.00 0.00 H new ATOM 889 N SER A 55 -4.666 4.595 -0.182 1.00 0.00 N ATOM 890 CA SER A 55 -5.177 4.346 -1.531 1.00 0.00 C ATOM 891 C SER A 55 -5.181 5.588 -2.429 1.00 0.00 C ATOM 892 O SER A 55 -4.925 5.487 -3.630 1.00 0.00 O ATOM 893 CB SER A 55 -6.591 3.772 -1.453 1.00 0.00 C ATOM 894 OG SER A 55 -7.484 4.692 -0.850 1.00 0.00 O ATOM 0 H SER A 55 -5.309 4.331 0.564 1.00 0.00 H new ATOM 0 HA SER A 55 -4.493 3.631 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.942 3.524 -2.455 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.579 2.844 -0.881 1.00 0.00 H new ATOM 0 HG SER A 55 -8.200 4.914 -1.481 1.00 0.00 H new ATOM 900 N GLU A 56 -5.506 6.744 -1.862 1.00 0.00 N ATOM 901 CA GLU A 56 -5.588 7.986 -2.599 1.00 0.00 C ATOM 902 C GLU A 56 -4.480 8.165 -3.647 1.00 0.00 C ATOM 903 O GLU A 56 -4.669 8.883 -4.629 1.00 0.00 O ATOM 904 CB GLU A 56 -5.563 9.133 -1.605 1.00 0.00 C ATOM 905 CG GLU A 56 -6.672 9.049 -0.579 1.00 0.00 C ATOM 906 CD GLU A 56 -7.096 10.412 -0.063 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.296 11.051 0.652 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.228 10.837 -0.373 1.00 0.00 O ATOM 0 H GLU A 56 -5.721 6.840 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.520 7.970 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.601 9.142 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.645 10.076 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.533 8.548 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.341 8.435 0.258 1.00 0.00 H new ATOM 915 N HIS A 57 -3.326 7.542 -3.433 1.00 0.00 N ATOM 916 CA HIS A 57 -2.203 7.679 -4.367 1.00 0.00 C ATOM 917 C HIS A 57 -2.086 6.477 -5.300 1.00 0.00 C ATOM 918 O HIS A 57 -1.479 6.571 -6.366 1.00 0.00 O ATOM 919 CB HIS A 57 -0.898 7.865 -3.579 1.00 0.00 C ATOM 920 CG HIS A 57 -1.072 8.744 -2.394 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.591 10.019 -2.461 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.855 8.486 -1.095 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.692 10.505 -1.231 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.251 9.589 -0.377 1.00 0.00 N ATOM 0 H HIS A 57 -3.140 6.941 -2.630 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.389 8.555 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.531 6.891 -3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.138 8.290 -4.235 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.854 10.509 -3.316 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.443 7.575 -0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.070 11.482 -0.968 1.00 0.00 H new ATOM 932 N PHE A 58 -2.665 5.354 -4.901 1.00 0.00 N ATOM 933 CA PHE A 58 -2.613 4.148 -5.716 1.00 0.00 C ATOM 934 C PHE A 58 -3.696 4.174 -6.793 1.00 0.00 C ATOM 935 O PHE A 58 -4.731 4.819 -6.624 1.00 0.00 O ATOM 936 CB PHE A 58 -2.784 2.912 -4.837 1.00 0.00 C ATOM 937 CG PHE A 58 -1.525 2.542 -4.116 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.489 1.923 -4.791 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.372 2.826 -2.770 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.679 1.592 -4.137 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.206 2.500 -2.113 1.00 0.00 C ATOM 942 CZ PHE A 58 0.820 1.883 -2.796 1.00 0.00 C ATOM 0 H PHE A 58 -3.174 5.252 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.640 4.108 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.575 3.094 -4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.105 2.073 -5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.596 1.696 -5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.174 3.307 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.481 1.106 -4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.096 2.728 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.734 1.627 -2.281 1.00 0.00 H new ATOM 952 N THR A 59 -3.463 3.465 -7.896 1.00 0.00 N ATOM 953 CA THR A 59 -4.439 3.413 -8.983 1.00 0.00 C ATOM 954 C THR A 59 -5.509 2.362 -8.699 1.00 0.00 C ATOM 955 O THR A 59 -5.224 1.294 -8.159 1.00 0.00 O ATOM 956 CB THR A 59 -3.766 3.095 -10.326 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.863 2.012 -10.189 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.000 4.257 -10.938 1.00 0.00 C ATOM 0 H THR A 59 -2.615 2.923 -8.060 1.00 0.00 H new ATOM 0 HA THR A 59 -4.903 4.397 -9.046 1.00 0.00 H new ATOM 0 HB THR A 59 -4.592 2.852 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.445 1.823 -11.055 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.558 3.943 -11.884 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.681 5.089 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.211 4.573 -10.255 1.00 0.00 H new ATOM 966 N PRO A 60 -6.761 2.661 -9.075 1.00 0.00 N ATOM 967 CA PRO A 60 -7.900 1.753 -8.882 1.00 0.00 C ATOM 968 C PRO A 60 -7.629 0.363 -9.444 1.00 0.00 C ATOM 969 O PRO A 60 -8.023 -0.646 -8.858 1.00 0.00 O ATOM 970 CB PRO A 60 -9.018 2.429 -9.679 1.00 0.00 C ATOM 971 CG PRO A 60 -8.658 3.860 -9.673 1.00 0.00 C ATOM 972 CD PRO A 60 -7.164 3.913 -9.733 1.00 0.00 C ATOM 0 HA PRO A 60 -8.130 1.601 -7.827 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.075 2.038 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.992 2.262 -9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.101 4.377 -10.525 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.029 4.351 -8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.803 3.963 -10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.770 4.787 -9.214 1.00 0.00 H new ATOM 980 N ASP A 61 -6.962 0.322 -10.592 1.00 0.00 N ATOM 981 CA ASP A 61 -6.643 -0.940 -11.252 1.00 0.00 C ATOM 982 C ASP A 61 -5.866 -1.870 -10.330 1.00 0.00 C ATOM 983 O ASP A 61 -5.982 -3.093 -10.421 1.00 0.00 O ATOM 984 CB ASP A 61 -5.842 -0.682 -12.530 1.00 0.00 C ATOM 985 CG ASP A 61 -5.560 -1.956 -13.302 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.273 -2.956 -13.077 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.627 -1.953 -14.132 1.00 0.00 O ATOM 0 H ASP A 61 -6.631 1.150 -11.087 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.583 -1.428 -11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.392 0.011 -13.167 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.899 -0.199 -12.273 1.00 0.00 H new ATOM 992 N CYS A 62 -5.074 -1.285 -9.447 1.00 0.00 N ATOM 993 CA CYS A 62 -4.272 -2.058 -8.508 1.00 0.00 C ATOM 994 C CYS A 62 -5.071 -2.392 -7.239 1.00 0.00 C ATOM 995 O CYS A 62 -4.550 -3.019 -6.316 1.00 0.00 O ATOM 996 CB CYS A 62 -2.970 -1.293 -8.192 1.00 0.00 C ATOM 997 SG CYS A 62 -2.670 -0.925 -6.442 1.00 0.00 S ATOM 0 H CYS A 62 -4.968 -0.274 -9.359 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.005 -3.012 -8.963 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.129 -1.875 -8.570 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.981 -0.353 -8.744 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.310 -1.782 -5.703 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.341 -1.986 -7.205 1.00 0.00 N ATOM 1004 CA PHE A 63 -7.200 -2.256 -6.056 1.00 0.00 C ATOM 1005 C PHE A 63 -8.358 -3.172 -6.448 1.00 0.00 C ATOM 1006 O PHE A 63 -9.511 -2.916 -6.099 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.747 -0.945 -5.482 1.00 0.00 C ATOM 1008 CG PHE A 63 -6.895 -0.361 -4.391 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.520 -0.292 -4.535 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.468 0.122 -3.227 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -4.730 0.248 -3.537 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.684 0.662 -2.224 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.313 0.725 -2.380 1.00 0.00 C ATOM 0 H PHE A 63 -6.795 -1.470 -7.959 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.601 -2.757 -5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.840 -0.217 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.750 -1.120 -5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.059 -0.664 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.540 0.077 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.658 0.297 -3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.143 1.034 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.698 1.147 -1.598 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.046 -4.238 -7.178 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.067 -5.183 -7.618 1.00 0.00 C ATOM 1025 C LYS A 64 -8.974 -6.503 -6.854 1.00 0.00 C ATOM 1026 O LYS A 64 -9.502 -7.522 -7.298 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.941 -5.439 -9.123 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.814 -6.393 -9.494 1.00 0.00 C ATOM 1029 CD LYS A 64 -7.261 -6.093 -10.878 1.00 0.00 C ATOM 1030 CE LYS A 64 -8.302 -6.340 -11.959 1.00 0.00 C ATOM 1031 NZ LYS A 64 -9.099 -5.116 -12.257 1.00 0.00 N ATOM 0 H LYS A 64 -7.098 -4.469 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.041 -4.740 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.883 -5.844 -9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.781 -4.488 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.014 -6.317 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.180 -7.419 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.929 -5.056 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.386 -6.716 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.807 -6.680 -12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.971 -7.140 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.459 -5.165 -13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.899 -5.053 -11.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.496 -4.275 -12.153 1.00 0.00 H new ATOM 1045 N ARG A 65 -8.304 -6.484 -5.706 1.00 0.00 N ATOM 1046 CA ARG A 65 -8.156 -7.688 -4.899 1.00 0.00 C ATOM 1047 C ARG A 65 -9.071 -7.637 -3.680 1.00 0.00 C ATOM 1048 O ARG A 65 -9.398 -6.560 -3.179 1.00 0.00 O ATOM 1049 CB ARG A 65 -6.700 -7.859 -4.462 1.00 0.00 C ATOM 1050 CG ARG A 65 -5.709 -7.796 -5.617 1.00 0.00 C ATOM 1051 CD ARG A 65 -5.954 -8.904 -6.630 1.00 0.00 C ATOM 1052 NE ARG A 65 -5.598 -8.497 -7.987 1.00 0.00 N ATOM 1053 CZ ARG A 65 -4.352 -8.473 -8.452 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -3.339 -8.831 -7.673 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -4.117 -8.092 -9.700 1.00 0.00 N ATOM 0 H ARG A 65 -7.858 -5.654 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.443 -8.545 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.452 -7.083 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.592 -8.816 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.787 -6.828 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.693 -7.875 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.373 -9.784 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.004 -9.194 -6.603 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.350 -8.214 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.514 -9.126 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.386 -8.811 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.892 -7.817 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.161 -8.074 -10.056 1.00 0.00 H new ATOM 1069 N GLU A 66 -9.488 -8.808 -3.210 1.00 0.00 N ATOM 1070 CA GLU A 66 -10.370 -8.896 -2.052 1.00 0.00 C ATOM 1071 C GLU A 66 -9.896 -9.980 -1.090 1.00 0.00 C ATOM 1072 O GLU A 66 -10.436 -11.085 -1.070 1.00 0.00 O ATOM 1073 CB GLU A 66 -11.804 -9.185 -2.497 1.00 0.00 C ATOM 1074 CG GLU A 66 -11.948 -10.474 -3.291 1.00 0.00 C ATOM 1075 CD GLU A 66 -12.845 -11.487 -2.606 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -12.903 -11.481 -1.359 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -13.489 -12.286 -3.318 1.00 0.00 O ATOM 0 H GLU A 66 -9.230 -9.709 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.345 -7.938 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.445 -9.237 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.162 -8.353 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.352 -10.245 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.962 -10.913 -3.445 1.00 0.00 H new ATOM 1084 N CYS A 67 -8.885 -9.654 -0.290 1.00 0.00 N ATOM 1085 CA CYS A 67 -8.343 -10.602 0.676 1.00 0.00 C ATOM 1086 C CYS A 67 -8.182 -9.948 2.047 1.00 0.00 C ATOM 1087 O CYS A 67 -8.396 -8.745 2.198 1.00 0.00 O ATOM 1088 CB CYS A 67 -6.995 -11.144 0.192 1.00 0.00 C ATOM 1089 SG CYS A 67 -6.935 -12.945 0.044 1.00 0.00 S ATOM 0 H CYS A 67 -8.426 -8.743 -0.292 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.045 -11.431 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.765 -10.702 -0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.216 -10.821 0.883 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.758 -13.307 -0.373 1.00 0.00 H new ATOM 1095 N ASN A 68 -7.808 -10.746 3.044 1.00 0.00 N ATOM 1096 CA ASN A 68 -7.623 -10.246 4.397 1.00 0.00 C ATOM 1097 C ASN A 68 -6.251 -9.599 4.561 1.00 0.00 C ATOM 1098 O ASN A 68 -6.061 -8.730 5.412 1.00 0.00 O ATOM 1099 CB ASN A 68 -7.781 -11.395 5.388 1.00 0.00 C ATOM 1100 CG ASN A 68 -7.827 -10.920 6.828 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -8.877 -10.517 7.327 1.00 0.00 O ATOM 1102 ND2 ASN A 68 -6.684 -10.968 7.503 1.00 0.00 N ATOM 0 H ASN A 68 -7.627 -11.744 2.936 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.379 -9.485 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.695 -11.943 5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.952 -12.092 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.653 -10.663 8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.837 -11.310 7.048 1.00 0.00 H new ATOM 1109 N ASN A 69 -5.294 -10.033 3.746 1.00 0.00 N ATOM 1110 CA ASN A 69 -3.937 -9.501 3.804 1.00 0.00 C ATOM 1111 C ASN A 69 -3.918 -8.000 3.519 1.00 0.00 C ATOM 1112 O ASN A 69 -3.858 -7.186 4.441 1.00 0.00 O ATOM 1113 CB ASN A 69 -3.038 -10.235 2.807 1.00 0.00 C ATOM 1114 CG ASN A 69 -2.786 -11.676 3.207 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -2.479 -11.968 4.363 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -2.912 -12.586 2.248 1.00 0.00 N ATOM 0 H ASN A 69 -5.434 -10.753 3.037 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.557 -9.660 4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.499 -10.210 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.085 -9.711 2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.753 -13.572 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.168 -12.299 1.303 1.00 0.00 H new ATOM 1123 N LYS A 70 -3.965 -7.641 2.238 1.00 0.00 N ATOM 1124 CA LYS A 70 -3.948 -6.245 1.831 1.00 0.00 C ATOM 1125 C LYS A 70 -4.064 -6.130 0.312 1.00 0.00 C ATOM 1126 O LYS A 70 -4.170 -7.139 -0.385 1.00 0.00 O ATOM 1127 CB LYS A 70 -2.657 -5.563 2.331 1.00 0.00 C ATOM 1128 CG LYS A 70 -1.430 -5.796 1.455 1.00 0.00 C ATOM 1129 CD LYS A 70 -0.876 -7.207 1.597 1.00 0.00 C ATOM 1130 CE LYS A 70 -0.547 -7.541 3.044 1.00 0.00 C ATOM 1131 NZ LYS A 70 0.425 -8.664 3.146 1.00 0.00 N ATOM 0 H LYS A 70 -4.015 -8.303 1.464 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.804 -5.739 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.835 -4.490 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.440 -5.920 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.691 -5.614 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.656 -5.076 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.603 -7.923 1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.022 -7.308 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.136 -6.659 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.463 -7.804 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.546 -8.929 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.068 -9.482 2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.341 -8.367 2.753 1.00 0.00 H new ATOM 1145 N LEU A 71 -4.042 -4.901 -0.199 1.00 0.00 N ATOM 1146 CA LEU A 71 -4.144 -4.679 -1.638 1.00 0.00 C ATOM 1147 C LEU A 71 -3.009 -3.792 -2.148 1.00 0.00 C ATOM 1148 O LEU A 71 -3.117 -2.565 -2.152 1.00 0.00 O ATOM 1149 CB LEU A 71 -5.492 -4.041 -1.985 1.00 0.00 C ATOM 1150 CG LEU A 71 -6.667 -4.500 -1.118 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -7.896 -3.645 -1.388 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -6.969 -5.968 -1.368 1.00 0.00 C ATOM 0 H LEU A 71 -3.955 -4.050 0.357 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.066 -5.650 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.398 -2.959 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.722 -4.259 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.391 -4.380 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.721 -3.986 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.672 -2.603 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.176 -3.732 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.807 -6.279 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.225 -6.113 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.092 -6.567 -1.122 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.931 -4.427 -2.596 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.779 -3.719 -3.135 1.00 0.00 C ATOM 1166 C LEU A 72 0.207 -4.707 -3.753 1.00 0.00 C ATOM 1167 O LEU A 72 1.420 -4.589 -3.575 1.00 0.00 O ATOM 1168 CB LEU A 72 -0.086 -2.887 -2.055 1.00 0.00 C ATOM 1169 CG LEU A 72 0.662 -3.695 -0.991 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.169 -3.558 -1.169 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.246 -3.250 0.400 1.00 0.00 C ATOM 0 H LEU A 72 -1.833 -5.442 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.134 -3.039 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.619 -2.210 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.834 -2.268 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 72 0.400 -4.746 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.680 -4.140 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.454 -3.926 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.452 -2.509 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.786 -3.834 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.478 -2.193 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.826 -3.404 0.526 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.330 -5.690 -4.470 1.00 0.00 N ATOM 1184 CA LYS A 73 0.484 -6.721 -5.115 1.00 0.00 C ATOM 1185 C LYS A 73 1.667 -6.123 -5.872 1.00 0.00 C ATOM 1186 O LYS A 73 1.818 -4.904 -5.959 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.375 -7.550 -6.070 1.00 0.00 C ATOM 1188 CG LYS A 73 0.041 -9.013 -6.140 1.00 0.00 C ATOM 1189 CD LYS A 73 -1.108 -9.945 -5.782 1.00 0.00 C ATOM 1190 CE LYS A 73 -0.745 -10.865 -4.627 1.00 0.00 C ATOM 1191 NZ LYS A 73 0.512 -11.618 -4.891 1.00 0.00 N ATOM 0 H LYS A 73 -1.333 -5.796 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 73 0.881 -7.362 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.417 -7.491 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.319 -7.115 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.396 -9.242 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.875 -9.187 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.986 -9.356 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.377 -10.543 -6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.631 -10.277 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.560 -11.568 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.483 -12.529 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.607 -11.788 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.326 -11.064 -4.556 1.00 0.00 H new ATOM 1205 N GLU A 74 2.506 -7.001 -6.417 1.00 0.00 N ATOM 1206 CA GLU A 74 3.689 -6.585 -7.169 1.00 0.00 C ATOM 1207 C GLU A 74 3.365 -5.477 -8.165 1.00 0.00 C ATOM 1208 O GLU A 74 4.224 -4.668 -8.507 1.00 0.00 O ATOM 1209 CB GLU A 74 4.296 -7.780 -7.903 1.00 0.00 C ATOM 1210 CG GLU A 74 5.565 -7.443 -8.668 1.00 0.00 C ATOM 1211 CD GLU A 74 5.862 -8.437 -9.773 1.00 0.00 C ATOM 1212 OE1 GLU A 74 5.800 -9.656 -9.507 1.00 0.00 O ATOM 1213 OE2 GLU A 74 6.158 -7.996 -10.904 1.00 0.00 O ATOM 0 H GLU A 74 2.388 -8.012 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 74 4.411 -6.192 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.515 -8.566 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.559 -8.182 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.472 -6.445 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.406 -7.414 -7.975 1.00 0.00 H new ATOM 1220 N ASN A 75 2.124 -5.444 -8.623 1.00 0.00 N ATOM 1221 CA ASN A 75 1.688 -4.430 -9.576 1.00 0.00 C ATOM 1222 C ASN A 75 1.647 -3.060 -8.918 1.00 0.00 C ATOM 1223 O ASN A 75 2.024 -2.051 -9.514 1.00 0.00 O ATOM 1224 CB ASN A 75 0.301 -4.778 -10.111 1.00 0.00 C ATOM 1225 CG ASN A 75 0.312 -6.018 -10.984 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.839 -6.003 -12.096 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.272 -7.100 -10.484 1.00 0.00 N ATOM 0 H ASN A 75 1.398 -6.107 -8.351 1.00 0.00 H new ATOM 0 HA ASN A 75 2.401 -4.405 -10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.380 -4.932 -9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.086 -3.936 -10.685 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.296 -7.963 -11.027 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.697 -7.068 -9.557 1.00 0.00 H new ATOM 1234 N ALA A 76 1.163 -3.055 -7.685 1.00 0.00 N ATOM 1235 CA ALA A 76 1.018 -1.846 -6.882 1.00 0.00 C ATOM 1236 C ALA A 76 2.045 -0.775 -7.204 1.00 0.00 C ATOM 1237 O ALA A 76 3.194 -1.070 -7.529 1.00 0.00 O ATOM 1238 CB ALA A 76 1.073 -2.194 -5.406 1.00 0.00 C ATOM 0 H ALA A 76 0.855 -3.901 -7.206 1.00 0.00 H new ATOM 0 HA ALA A 76 0.045 -1.423 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.964 -1.286 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.264 -2.884 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.030 -2.663 -5.178 1.00 0.00 H new ATOM 1244 N VAL A 77 1.597 0.473 -7.107 1.00 0.00 N ATOM 1245 CA VAL A 77 2.430 1.631 -7.383 1.00 0.00 C ATOM 1246 C VAL A 77 1.677 2.918 -7.006 1.00 0.00 C ATOM 1247 O VAL A 77 0.483 3.041 -7.281 1.00 0.00 O ATOM 1248 CB VAL A 77 2.808 1.665 -8.884 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.108 3.081 -9.365 1.00 0.00 C ATOM 1250 CG2 VAL A 77 3.988 0.749 -9.164 1.00 0.00 C ATOM 0 H VAL A 77 0.643 0.707 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 77 3.341 1.562 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 77 1.943 1.305 -9.441 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.369 3.058 -10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.228 3.708 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.942 3.490 -8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.236 0.789 -10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.848 1.074 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.728 -0.274 -8.891 1.00 0.00 H new ATOM 1260 N PRO A 78 2.358 3.895 -6.377 1.00 0.00 N ATOM 1261 CA PRO A 78 1.746 5.160 -5.973 1.00 0.00 C ATOM 1262 C PRO A 78 1.805 6.226 -7.069 1.00 0.00 C ATOM 1263 O PRO A 78 1.958 7.412 -6.779 1.00 0.00 O ATOM 1264 CB PRO A 78 2.605 5.571 -4.794 1.00 0.00 C ATOM 1265 CG PRO A 78 3.970 5.078 -5.141 1.00 0.00 C ATOM 1266 CD PRO A 78 3.782 3.847 -5.999 1.00 0.00 C ATOM 0 HA PRO A 78 0.684 5.053 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.596 6.652 -4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.246 5.126 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.532 5.842 -5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.536 4.839 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.429 3.868 -6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.019 2.936 -5.449 1.00 0.00 H new ATOM 1274 N THR A 79 1.701 5.774 -8.320 1.00 0.00 N ATOM 1275 CA THR A 79 1.747 6.629 -9.519 1.00 0.00 C ATOM 1276 C THR A 79 1.722 8.138 -9.231 1.00 0.00 C ATOM 1277 O THR A 79 2.572 8.875 -9.729 1.00 0.00 O ATOM 1278 CB THR A 79 0.583 6.274 -10.445 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.556 5.894 -9.696 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.902 5.145 -11.400 1.00 0.00 C ATOM 0 H THR A 79 1.580 4.785 -8.538 1.00 0.00 H new ATOM 0 HA THR A 79 2.709 6.427 -9.990 1.00 0.00 H new ATOM 0 HB THR A 79 0.390 7.176 -11.025 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.298 6.501 -9.898 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.034 4.944 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.747 5.428 -12.028 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.155 4.249 -10.833 1.00 0.00 H new ATOM 1288 N ILE A 80 0.729 8.598 -8.469 1.00 0.00 N ATOM 1289 CA ILE A 80 0.582 10.015 -8.170 1.00 0.00 C ATOM 1290 C ILE A 80 1.917 10.717 -7.892 1.00 0.00 C ATOM 1291 O ILE A 80 2.071 11.899 -8.197 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.392 10.243 -7.009 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.801 10.207 -7.576 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.138 11.578 -6.310 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.869 10.393 -6.541 1.00 0.00 C ATOM 0 H ILE A 80 0.014 8.004 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 80 0.169 10.466 -9.072 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.252 9.463 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.900 10.986 -8.332 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.957 9.253 -8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.849 11.702 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.877 11.594 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.261 12.392 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.848 10.356 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.797 9.599 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.739 11.359 -6.054 1.00 0.00 H new ATOM 1307 N PHE A 81 2.878 9.997 -7.317 1.00 0.00 N ATOM 1308 CA PHE A 81 4.176 10.574 -7.016 1.00 0.00 C ATOM 1309 C PHE A 81 5.244 10.062 -7.977 1.00 0.00 C ATOM 1310 O PHE A 81 6.241 10.739 -8.226 1.00 0.00 O ATOM 1311 CB PHE A 81 4.593 10.298 -5.564 1.00 0.00 C ATOM 1312 CG PHE A 81 3.569 10.710 -4.544 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.288 10.185 -4.576 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.894 11.616 -3.547 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.352 10.553 -3.634 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.957 11.990 -2.603 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.685 11.457 -2.647 1.00 0.00 C ATOM 0 H PHE A 81 2.778 9.017 -7.053 1.00 0.00 H new ATOM 0 HA PHE A 81 4.084 11.653 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.795 9.233 -5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.526 10.823 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.019 9.479 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.889 12.034 -3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.357 10.133 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.220 12.699 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.951 11.747 -1.910 1.00 0.00 H new ATOM 1327 N LEU A 82 5.030 8.866 -8.518 1.00 0.00 N ATOM 1328 CA LEU A 82 5.979 8.275 -9.456 1.00 0.00 C ATOM 1329 C LEU A 82 6.076 9.115 -10.725 1.00 0.00 C ATOM 1330 O LEU A 82 5.278 8.958 -11.649 1.00 0.00 O ATOM 1331 CB LEU A 82 5.561 6.845 -9.806 1.00 0.00 C ATOM 1332 CG LEU A 82 6.452 6.145 -10.835 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.639 5.484 -10.151 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.649 5.121 -11.625 1.00 0.00 C ATOM 0 H LEU A 82 4.211 8.289 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 82 6.959 8.251 -8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.551 6.251 -8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.539 6.863 -10.185 1.00 0.00 H new ATOM 0 HG LEU A 82 6.831 6.894 -11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.261 4.991 -10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.227 6.240 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.281 4.746 -9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.298 4.633 -12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.241 4.374 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.833 5.622 -12.146 1.00 0.00 H new ATOM 1346 N GLU A 83 7.058 10.010 -10.762 1.00 0.00 N ATOM 1347 CA GLU A 83 7.258 10.881 -11.916 1.00 0.00 C ATOM 1348 C GLU A 83 7.739 10.087 -13.127 1.00 0.00 C ATOM 1349 O GLU A 83 7.278 10.307 -14.247 1.00 0.00 O ATOM 1350 CB GLU A 83 8.262 11.984 -11.580 1.00 0.00 C ATOM 1351 CG GLU A 83 8.503 12.958 -12.722 1.00 0.00 C ATOM 1352 CD GLU A 83 7.296 13.829 -13.010 1.00 0.00 C ATOM 1353 OE1 GLU A 83 6.415 13.933 -12.130 1.00 0.00 O ATOM 1354 OE2 GLU A 83 7.230 14.407 -14.115 1.00 0.00 O ATOM 0 H GLU A 83 7.728 10.152 -10.006 1.00 0.00 H new ATOM 0 HA GLU A 83 6.299 11.335 -12.165 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.904 12.537 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.210 11.527 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.355 13.593 -12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.767 12.400 -13.621 1.00 0.00 H new ATOM 1361 N LEU A 84 8.665 9.160 -12.896 1.00 0.00 N ATOM 1362 CA LEU A 84 9.200 8.335 -13.974 1.00 0.00 C ATOM 1363 C LEU A 84 9.157 6.856 -13.607 1.00 0.00 C ATOM 1364 O LEU A 84 8.993 6.499 -12.440 1.00 0.00 O ATOM 1365 CB LEU A 84 10.637 8.746 -14.323 1.00 0.00 C ATOM 1366 CG LEU A 84 11.484 9.290 -13.164 1.00 0.00 C ATOM 1367 CD1 LEU A 84 11.044 10.696 -12.784 1.00 0.00 C ATOM 1368 CD2 LEU A 84 11.421 8.359 -11.960 1.00 0.00 C ATOM 0 H LEU A 84 9.059 8.962 -11.976 1.00 0.00 H new ATOM 0 HA LEU A 84 8.570 8.494 -14.849 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.148 7.881 -14.745 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.597 9.505 -15.104 1.00 0.00 H new ATOM 0 HG LEU A 84 12.520 9.339 -13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.659 11.060 -11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.159 11.358 -13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.999 10.679 -12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.029 8.767 -11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.388 8.267 -11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.801 7.376 -12.240 1.00 0.00 H new ATOM 1380 N VAL A 85 9.304 5.999 -14.612 1.00 0.00 N ATOM 1381 CA VAL A 85 9.282 4.557 -14.399 1.00 0.00 C ATOM 1382 C VAL A 85 10.604 3.921 -14.821 1.00 0.00 C ATOM 1383 O VAL A 85 11.219 4.346 -15.800 1.00 0.00 O ATOM 1384 CB VAL A 85 8.134 3.893 -15.184 1.00 0.00 C ATOM 1385 CG1 VAL A 85 8.014 2.422 -14.815 1.00 0.00 C ATOM 1386 CG2 VAL A 85 6.821 4.621 -14.937 1.00 0.00 C ATOM 0 H VAL A 85 9.440 6.279 -15.583 1.00 0.00 H new ATOM 0 HA VAL A 85 9.126 4.395 -13.332 1.00 0.00 H new ATOM 0 HB VAL A 85 8.363 3.960 -16.248 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.198 1.971 -15.380 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.946 1.910 -15.053 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.811 2.330 -13.748 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.024 4.136 -15.501 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.583 4.592 -13.874 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.914 5.658 -15.259 1.00 0.00 H new ATOM 1396 N PRO A 86 11.062 2.889 -14.091 1.00 0.00 N ATOM 1397 CA PRO A 86 12.317 2.188 -14.393 1.00 0.00 C ATOM 1398 C PRO A 86 12.331 1.597 -15.800 1.00 0.00 C ATOM 1399 O PRO A 86 13.245 1.853 -16.583 1.00 0.00 O ATOM 1400 CB PRO A 86 12.334 1.077 -13.339 1.00 0.00 C ATOM 1401 CG PRO A 86 11.561 1.654 -12.219 1.00 0.00 C ATOM 1402 CD PRO A 86 10.406 2.299 -12.908 1.00 0.00 C ATOM 0 HA PRO A 86 13.184 2.848 -14.364 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.876 0.161 -13.713 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.351 0.825 -13.038 1.00 0.00 H new ATOM 0 HG2 PRO A 86 11.235 0.887 -11.516 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.148 2.377 -11.653 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.637 1.577 -13.183 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.926 3.054 -12.285 1.00 0.00 H new ATOM 1410 N ARG A 87 11.309 0.807 -16.113 1.00 0.00 N ATOM 1411 CA ARG A 87 11.202 0.180 -17.425 1.00 0.00 C ATOM 1412 C ARG A 87 10.258 0.967 -18.329 1.00 0.00 C ATOM 1413 O ARG A 87 10.639 1.236 -19.488 1.00 0.00 O ATOM 1414 CB ARG A 87 10.711 -1.264 -17.283 1.00 0.00 C ATOM 1415 CG ARG A 87 11.750 -2.301 -17.675 1.00 0.00 C ATOM 1416 CD ARG A 87 12.184 -2.135 -19.122 1.00 0.00 C ATOM 1417 NE ARG A 87 13.597 -2.455 -19.311 1.00 0.00 N ATOM 1418 CZ ARG A 87 14.166 -2.621 -20.504 1.00 0.00 C ATOM 1419 NH1 ARG A 87 13.447 -2.501 -21.612 1.00 0.00 N ATOM 1420 NH2 ARG A 87 15.457 -2.910 -20.586 1.00 0.00 N ATOM 1421 OXT ARG A 87 9.148 1.308 -17.871 1.00 0.00 O ATOM 0 H ARG A 87 10.544 0.586 -15.476 1.00 0.00 H new ATOM 0 HA ARG A 87 12.192 0.176 -17.882 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.410 -1.436 -16.250 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.823 -1.400 -17.901 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.618 -2.213 -17.021 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.341 -3.301 -17.529 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.578 -2.780 -19.758 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.999 -1.109 -19.440 1.00 0.00 H new ATOM 0 HE ARG A 87 14.182 -2.557 -18.481 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.453 -2.280 -21.553 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.888 -2.629 -22.523 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.013 -3.005 -19.736 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.894 -3.037 -21.499 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -2.220 9.488 1.377 1.00 0.00 ZN