USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 875 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 82 GLN :FLIP amide:sc= -0.744 F(o=-6.2!,f=0.093) USER MOD Set 1.2: A 87 SER OG : rot 90:sc= 0.838 USER MOD Set 2.1: A 41 TYR OH : rot 96:sc= 0.00443 USER MOD Set 2.2: A 76 TYR OH : rot 91:sc= 2.03 USER MOD Set 3.1: A 19 MET CE :methyl -104:sc= -2.54! (180deg=-1.15) USER MOD Set 3.2: A 62 THR OG1 : rot 47:sc= 0.241 USER MOD Set 4.1: A 13 GLN : amide:sc= -1.24 K(o=-4.5,f=-5.1) USER MOD Set 4.2: A 17 HIS : no HE2:sc= -2.22! K(o=-4.5!,f=-5.1) USER MOD Set 4.3: A 21 ASN : amide:sc= -1.08 K(o=-4.5,f=-6.2) USER MOD Set 5.1: A 1 MET N :NH3+ -137:sc= -1.81! (180deg=-7.34!) USER MOD Set 5.2: A 60 ASN : amide:sc= 0.812 K(o=-1,f=-14!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.575 (180deg=-1.75!) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.874 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.0016) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 112:sc= -0.696 USER MOD Single : A 20 THR OG1 : rot -106:sc= 0.171 USER MOD Single : A 23 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.4) USER MOD Single : A 29 SER OG : rot 28:sc= 0.0948 USER MOD Single : A 32 ASN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.59! C(o=-2.6!,f=-5.5!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0276 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -24:sc= 0.435 USER MOD Single : A 52 HIS : no HD1:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 56 TYR OH : rot 90:sc= 0.538 USER MOD Single : A 71 THR OG1 : rot 168:sc= 0.782 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 85 TYR OH : rot -147:sc= 1.23 USER MOD Single : A 90 MET CE :methyl -177:sc= -0.945 (180deg=-1.15) USER MOD Single : A 91 TYR OH : rot -162:sc= 1.29 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.64 F(o=-4.4!,f=-1.6) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -4:sc= 1.05 USER MOD Single : A 113 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.177 2.741 -12.374 1.00 0.00 N ATOM 2 CA MET A 1 4.206 2.742 -11.322 1.00 0.00 C ATOM 3 C MET A 1 3.925 1.603 -10.355 1.00 0.00 C ATOM 4 O MET A 1 2.927 0.896 -10.508 1.00 0.00 O ATOM 5 CB MET A 1 4.203 4.097 -10.610 1.00 0.00 C ATOM 6 CG MET A 1 5.524 4.462 -9.954 1.00 0.00 C ATOM 7 SD MET A 1 5.602 6.206 -9.498 1.00 0.00 S ATOM 8 CE MET A 1 5.312 6.983 -11.090 1.00 0.00 C ATOM 0 H1 MET A 1 3.626 2.901 -13.299 1.00 0.00 H new ATOM 0 H2 MET A 1 2.688 1.823 -12.381 1.00 0.00 H new ATOM 0 H3 MET A 1 2.489 3.498 -12.187 1.00 0.00 H new ATOM 0 HA MET A 1 5.196 2.591 -11.753 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.942 4.872 -11.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.422 4.093 -9.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.667 3.849 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.342 4.230 -10.636 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.735 7.988 -11.087 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.785 6.393 -11.875 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.240 7.041 -11.277 1.00 0.00 H new ATOM 20 N ARG A 2 4.797 1.408 -9.384 1.00 0.00 N ATOM 21 CA ARG A 2 4.655 0.310 -8.450 1.00 0.00 C ATOM 22 C ARG A 2 3.873 0.745 -7.217 1.00 0.00 C ATOM 23 O ARG A 2 4.239 1.711 -6.546 1.00 0.00 O ATOM 24 CB ARG A 2 6.032 -0.192 -8.048 1.00 0.00 C ATOM 25 CG ARG A 2 6.873 -0.646 -9.223 1.00 0.00 C ATOM 26 CD ARG A 2 8.302 -0.948 -8.808 1.00 0.00 C ATOM 27 NE ARG A 2 9.121 -1.329 -9.956 1.00 0.00 N ATOM 28 CZ ARG A 2 10.423 -1.602 -9.903 1.00 0.00 C ATOM 29 NH1 ARG A 2 11.083 -1.509 -8.758 1.00 0.00 N ATOM 30 NH2 ARG A 2 11.067 -1.950 -11.008 1.00 0.00 N ATOM 0 H ARG A 2 5.613 1.998 -9.222 1.00 0.00 H new ATOM 0 HA ARG A 2 4.101 -0.495 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.559 0.601 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.919 -1.021 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.427 -1.536 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.873 0.128 -9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.735 -0.072 -8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.307 -1.753 -8.073 1.00 0.00 H new ATOM 0 HE ARG A 2 8.662 -1.390 -10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.594 -1.227 -7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.080 -1.720 -8.726 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.565 -2.008 -11.894 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.064 -2.160 -10.972 1.00 0.00 H new ATOM 44 N ILE A 3 2.797 0.034 -6.927 1.00 0.00 N ATOM 45 CA ILE A 3 1.959 0.359 -5.780 1.00 0.00 C ATOM 46 C ILE A 3 1.881 -0.822 -4.823 1.00 0.00 C ATOM 47 O ILE A 3 1.931 -1.983 -5.242 1.00 0.00 O ATOM 48 CB ILE A 3 0.519 0.743 -6.199 1.00 0.00 C ATOM 49 CG1 ILE A 3 0.530 1.784 -7.313 1.00 0.00 C ATOM 50 CG2 ILE A 3 -0.259 1.284 -5.002 1.00 0.00 C ATOM 51 CD1 ILE A 3 -0.858 2.154 -7.798 1.00 0.00 C ATOM 0 H ILE A 3 2.481 -0.771 -7.467 1.00 0.00 H new ATOM 0 HA ILE A 3 2.423 1.216 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 3 0.030 -0.158 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.035 2.682 -6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.112 1.403 -8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.269 1.549 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.308 0.521 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.244 2.169 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.780 2.899 -8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.358 1.265 -8.183 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.435 2.565 -6.970 1.00 0.00 H new ATOM 63 N PHE A 4 1.774 -0.519 -3.542 1.00 0.00 N ATOM 64 CA PHE A 4 1.531 -1.532 -2.535 1.00 0.00 C ATOM 65 C PHE A 4 0.030 -1.677 -2.335 1.00 0.00 C ATOM 66 O PHE A 4 -0.626 -0.767 -1.831 1.00 0.00 O ATOM 67 CB PHE A 4 2.215 -1.144 -1.220 1.00 0.00 C ATOM 68 CG PHE A 4 1.977 -2.118 -0.102 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.697 -3.299 -0.030 1.00 0.00 C ATOM 70 CD2 PHE A 4 1.031 -1.854 0.875 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.479 -4.194 0.995 1.00 0.00 C ATOM 72 CE2 PHE A 4 0.810 -2.748 1.905 1.00 0.00 C ATOM 73 CZ PHE A 4 1.535 -3.921 1.963 1.00 0.00 C ATOM 0 H PHE A 4 1.853 0.429 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 4 1.945 -2.485 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.288 -1.057 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.860 -0.160 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.437 -3.521 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.460 -0.939 0.831 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.048 -5.111 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.072 -2.530 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.364 -4.624 2.765 1.00 0.00 H new ATOM 83 N VAL A 5 -0.518 -2.808 -2.749 1.00 0.00 N ATOM 84 CA VAL A 5 -1.950 -3.027 -2.641 1.00 0.00 C ATOM 85 C VAL A 5 -2.288 -3.686 -1.317 1.00 0.00 C ATOM 86 O VAL A 5 -2.081 -4.883 -1.128 1.00 0.00 O ATOM 87 CB VAL A 5 -2.498 -3.884 -3.801 1.00 0.00 C ATOM 88 CG1 VAL A 5 -3.991 -4.140 -3.630 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.223 -3.201 -5.132 1.00 0.00 C ATOM 0 H VAL A 5 0.003 -3.583 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.426 -2.048 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.988 -4.847 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.354 -4.746 -4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.165 -4.668 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.524 -3.189 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.614 -3.815 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.709 -2.226 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.148 -3.072 -5.260 1.00 0.00 H new ATOM 99 N TYR A 6 -2.780 -2.877 -0.398 1.00 0.00 N ATOM 100 CA TYR A 6 -3.196 -3.349 0.907 1.00 0.00 C ATOM 101 C TYR A 6 -4.694 -3.633 0.911 1.00 0.00 C ATOM 102 O TYR A 6 -5.517 -2.739 1.105 1.00 0.00 O ATOM 103 CB TYR A 6 -2.811 -2.334 1.998 1.00 0.00 C ATOM 104 CG TYR A 6 -3.128 -0.886 1.658 1.00 0.00 C ATOM 105 CD1 TYR A 6 -2.343 -0.171 0.756 1.00 0.00 C ATOM 106 CD2 TYR A 6 -4.204 -0.232 2.243 1.00 0.00 C ATOM 107 CE1 TYR A 6 -2.626 1.144 0.447 1.00 0.00 C ATOM 108 CE2 TYR A 6 -4.491 1.084 1.936 1.00 0.00 C ATOM 109 CZ TYR A 6 -3.702 1.765 1.040 1.00 0.00 C ATOM 110 OH TYR A 6 -3.991 3.073 0.733 1.00 0.00 O ATOM 0 H TYR A 6 -2.902 -1.874 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.676 -4.281 1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.329 -2.598 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.743 -2.421 2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.497 -0.655 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.827 -0.761 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.007 1.682 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.333 1.577 2.399 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.781 3.360 1.236 1.00 0.00 H new ATOM 120 N GLY A 7 -5.038 -4.883 0.657 1.00 0.00 N ATOM 121 CA GLY A 7 -6.429 -5.272 0.586 1.00 0.00 C ATOM 122 C GLY A 7 -6.747 -5.977 -0.712 1.00 0.00 C ATOM 123 O GLY A 7 -5.852 -6.229 -1.520 1.00 0.00 O ATOM 0 H GLY A 7 -4.374 -5.641 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.667 -5.928 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.059 -4.388 0.684 1.00 0.00 H new ATOM 127 N SER A 8 -8.012 -6.305 -0.916 1.00 0.00 N ATOM 128 CA SER A 8 -8.429 -6.993 -2.127 1.00 0.00 C ATOM 129 C SER A 8 -8.477 -6.031 -3.313 1.00 0.00 C ATOM 130 O SER A 8 -9.203 -5.038 -3.293 1.00 0.00 O ATOM 131 CB SER A 8 -9.797 -7.646 -1.926 1.00 0.00 C ATOM 132 OG SER A 8 -10.102 -8.531 -2.988 1.00 0.00 O ATOM 0 H SER A 8 -8.767 -6.106 -0.260 1.00 0.00 H new ATOM 0 HA SER A 8 -7.695 -7.769 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.808 -8.190 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.565 -6.875 -1.859 1.00 0.00 H new ATOM 0 HG SER A 8 -10.981 -8.936 -2.834 1.00 0.00 H new ATOM 138 N LEU A 9 -7.700 -6.336 -4.347 1.00 0.00 N ATOM 139 CA LEU A 9 -7.713 -5.556 -5.582 1.00 0.00 C ATOM 140 C LEU A 9 -8.676 -6.178 -6.583 1.00 0.00 C ATOM 141 O LEU A 9 -8.765 -5.759 -7.735 1.00 0.00 O ATOM 142 CB LEU A 9 -6.316 -5.483 -6.204 1.00 0.00 C ATOM 143 CG LEU A 9 -5.683 -6.832 -6.563 1.00 0.00 C ATOM 144 CD1 LEU A 9 -4.860 -6.705 -7.833 1.00 0.00 C ATOM 145 CD2 LEU A 9 -4.810 -7.340 -5.421 1.00 0.00 C ATOM 0 H LEU A 9 -7.050 -7.122 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.039 -4.546 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.371 -4.875 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.655 -4.964 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.484 -7.552 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.416 -7.670 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.503 -6.384 -8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.070 -5.970 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.371 -8.299 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.016 -6.621 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.419 -7.465 -4.525 1.00 0.00 H new ATOM 157 N ARG A 10 -9.411 -7.174 -6.118 1.00 0.00 N ATOM 158 CA ARG A 10 -10.296 -7.955 -6.975 1.00 0.00 C ATOM 159 C ARG A 10 -11.628 -7.242 -7.234 1.00 0.00 C ATOM 160 O ARG A 10 -12.603 -7.864 -7.653 1.00 0.00 O ATOM 161 CB ARG A 10 -10.521 -9.337 -6.354 1.00 0.00 C ATOM 162 CG ARG A 10 -9.259 -10.186 -6.346 1.00 0.00 C ATOM 163 CD ARG A 10 -9.446 -11.496 -5.599 1.00 0.00 C ATOM 164 NE ARG A 10 -8.284 -12.375 -5.756 1.00 0.00 N ATOM 165 CZ ARG A 10 -7.721 -13.072 -4.769 1.00 0.00 C ATOM 166 NH1 ARG A 10 -8.189 -12.993 -3.530 1.00 0.00 N ATOM 167 NH2 ARG A 10 -6.679 -13.851 -5.029 1.00 0.00 N ATOM 0 H ARG A 10 -9.414 -7.466 -5.141 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.814 -8.071 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.881 -9.218 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.302 -9.858 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.959 -10.396 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.448 -9.622 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.609 -11.292 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.338 -12.002 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.877 -12.460 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.988 -12.394 -3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.749 -13.531 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.314 -13.914 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.243 -14.387 -4.279 1.00 0.00 H new ATOM 181 N HIS A 11 -11.664 -5.938 -6.989 1.00 0.00 N ATOM 182 CA HIS A 11 -12.864 -5.140 -7.239 1.00 0.00 C ATOM 183 C HIS A 11 -12.746 -4.353 -8.539 1.00 0.00 C ATOM 184 O HIS A 11 -11.664 -4.250 -9.120 1.00 0.00 O ATOM 185 CB HIS A 11 -13.129 -4.174 -6.086 1.00 0.00 C ATOM 186 CG HIS A 11 -13.748 -4.824 -4.891 1.00 0.00 C ATOM 187 ND1 HIS A 11 -13.296 -4.628 -3.606 1.00 0.00 N ATOM 188 CD2 HIS A 11 -14.807 -5.662 -4.793 1.00 0.00 C ATOM 189 CE1 HIS A 11 -14.047 -5.318 -2.769 1.00 0.00 C ATOM 190 NE2 HIS A 11 -14.972 -5.954 -3.465 1.00 0.00 N ATOM 0 H HIS A 11 -10.876 -5.407 -6.617 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.699 -5.835 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.189 -3.708 -5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.784 -3.376 -6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.409 -6.031 -5.610 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.926 -5.356 -1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.692 -6.563 -3.077 1.00 0.00 H new ATOM 199 N LYS A 12 -13.867 -3.789 -8.982 1.00 0.00 N ATOM 200 CA LYS A 12 -13.896 -2.988 -10.200 1.00 0.00 C ATOM 201 C LYS A 12 -13.054 -1.733 -10.018 1.00 0.00 C ATOM 202 O LYS A 12 -13.381 -0.868 -9.203 1.00 0.00 O ATOM 203 CB LYS A 12 -15.333 -2.617 -10.572 1.00 0.00 C ATOM 204 CG LYS A 12 -16.227 -3.825 -10.811 1.00 0.00 C ATOM 205 CD LYS A 12 -17.646 -3.416 -11.173 1.00 0.00 C ATOM 206 CE LYS A 12 -17.717 -2.759 -12.542 1.00 0.00 C ATOM 207 NZ LYS A 12 -19.107 -2.365 -12.894 1.00 0.00 N ATOM 0 H LYS A 12 -14.769 -3.873 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.477 -3.580 -11.014 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.761 -2.009 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.320 -2.000 -11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.809 -4.434 -11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.245 -4.446 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.291 -4.294 -11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.028 -2.727 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.075 -1.878 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.332 -3.446 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.114 -1.921 -13.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.715 -3.209 -12.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.465 -1.690 -12.189 1.00 0.00 H new ATOM 221 N GLN A 13 -11.963 -1.665 -10.777 1.00 0.00 N ATOM 222 CA GLN A 13 -10.975 -0.593 -10.671 1.00 0.00 C ATOM 223 C GLN A 13 -10.390 -0.550 -9.260 1.00 0.00 C ATOM 224 O GLN A 13 -9.866 0.472 -8.820 1.00 0.00 O ATOM 225 CB GLN A 13 -11.562 0.779 -11.043 1.00 0.00 C ATOM 226 CG GLN A 13 -11.949 0.929 -12.512 1.00 0.00 C ATOM 227 CD GLN A 13 -13.081 0.015 -12.922 1.00 0.00 C ATOM 228 OE1 GLN A 13 -12.865 -1.098 -13.397 1.00 0.00 O ATOM 229 NE2 GLN A 13 -14.296 0.467 -12.715 1.00 0.00 N ATOM 0 H GLN A 13 -11.737 -2.359 -11.490 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.182 -0.812 -11.386 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.444 0.961 -10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.834 1.551 -10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.237 1.963 -12.702 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.078 0.721 -13.134 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.434 1.397 -12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.102 -0.112 -12.950 1.00 0.00 H new ATOM 238 N GLY A 14 -10.444 -1.683 -8.575 1.00 0.00 N ATOM 239 CA GLY A 14 -10.073 -1.727 -7.178 1.00 0.00 C ATOM 240 C GLY A 14 -8.577 -1.740 -6.948 1.00 0.00 C ATOM 241 O GLY A 14 -7.960 -2.801 -6.936 1.00 0.00 O ATOM 0 H GLY A 14 -10.740 -2.577 -8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.503 -0.864 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.510 -2.616 -6.723 1.00 0.00 H new ATOM 245 N ASN A 15 -7.992 -0.550 -6.819 1.00 0.00 N ATOM 246 CA ASN A 15 -6.632 -0.395 -6.291 1.00 0.00 C ATOM 247 C ASN A 15 -5.574 -0.842 -7.288 1.00 0.00 C ATOM 248 O ASN A 15 -4.414 -1.019 -6.923 1.00 0.00 O ATOM 249 CB ASN A 15 -6.461 -1.165 -4.972 1.00 0.00 C ATOM 250 CG ASN A 15 -7.268 -0.568 -3.834 1.00 0.00 C ATOM 251 OD1 ASN A 15 -8.433 -0.916 -3.630 1.00 0.00 O ATOM 252 ND2 ASN A 15 -6.652 0.330 -3.077 1.00 0.00 N ATOM 0 H ASN A 15 -8.441 0.329 -7.075 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.490 0.670 -6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.762 -2.202 -5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.406 -1.176 -4.697 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.143 0.759 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.687 0.591 -3.279 1.00 0.00 H new ATOM 259 N SER A 16 -5.966 -0.982 -8.547 1.00 0.00 N ATOM 260 CA SER A 16 -5.046 -1.423 -9.586 1.00 0.00 C ATOM 261 C SER A 16 -5.722 -1.396 -10.957 1.00 0.00 C ATOM 262 O SER A 16 -5.244 -0.761 -11.898 1.00 0.00 O ATOM 263 CB SER A 16 -4.561 -2.837 -9.262 1.00 0.00 C ATOM 264 OG SER A 16 -5.657 -3.678 -8.929 1.00 0.00 O ATOM 0 H SER A 16 -6.914 -0.797 -8.873 1.00 0.00 H new ATOM 0 HA SER A 16 -4.194 -0.743 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.027 -3.249 -10.118 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.856 -2.804 -8.432 1.00 0.00 H new ATOM 0 HG SER A 16 -5.773 -4.356 -9.627 1.00 0.00 H new ATOM 270 N HIS A 17 -6.856 -2.071 -11.030 1.00 0.00 N ATOM 271 CA HIS A 17 -7.646 -2.209 -12.256 1.00 0.00 C ATOM 272 C HIS A 17 -8.313 -0.878 -12.670 1.00 0.00 C ATOM 273 O HIS A 17 -9.179 -0.869 -13.543 1.00 0.00 O ATOM 274 CB HIS A 17 -8.697 -3.301 -12.011 1.00 0.00 C ATOM 275 CG HIS A 17 -9.523 -3.688 -13.208 1.00 0.00 C ATOM 276 ND1 HIS A 17 -9.077 -4.533 -14.200 1.00 0.00 N ATOM 277 CD2 HIS A 17 -10.790 -3.354 -13.548 1.00 0.00 C ATOM 278 CE1 HIS A 17 -10.033 -4.697 -15.096 1.00 0.00 C ATOM 279 NE2 HIS A 17 -11.080 -3.993 -14.724 1.00 0.00 N ATOM 0 H HIS A 17 -7.267 -2.550 -10.228 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.992 -2.486 -13.082 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.190 -4.191 -11.639 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.369 -2.963 -11.222 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -8.153 -4.964 -14.237 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.450 -2.703 -12.994 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -9.966 -5.307 -15.985 1.00 0.00 H new ATOM 288 N TRP A 18 -7.928 0.233 -12.026 1.00 0.00 N ATOM 289 CA TRP A 18 -8.460 1.563 -12.367 1.00 0.00 C ATOM 290 C TRP A 18 -8.487 1.772 -13.879 1.00 0.00 C ATOM 291 O TRP A 18 -9.509 2.144 -14.454 1.00 0.00 O ATOM 292 CB TRP A 18 -7.617 2.666 -11.723 1.00 0.00 C ATOM 293 CG TRP A 18 -7.907 2.910 -10.275 1.00 0.00 C ATOM 294 CD1 TRP A 18 -9.075 3.358 -9.730 1.00 0.00 C ATOM 295 CD2 TRP A 18 -6.988 2.762 -9.193 1.00 0.00 C ATOM 296 NE1 TRP A 18 -8.940 3.482 -8.368 1.00 0.00 N ATOM 297 CE2 TRP A 18 -7.666 3.125 -8.015 1.00 0.00 C ATOM 298 CE3 TRP A 18 -5.658 2.351 -9.108 1.00 0.00 C ATOM 299 CZ2 TRP A 18 -7.053 3.093 -6.765 1.00 0.00 C ATOM 300 CZ3 TRP A 18 -5.049 2.319 -7.869 1.00 0.00 C ATOM 301 CH2 TRP A 18 -5.746 2.691 -6.710 1.00 0.00 C ATOM 0 H TRP A 18 -7.249 0.238 -11.265 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.478 1.615 -11.982 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.563 2.408 -11.830 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.776 3.594 -12.273 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -9.973 3.582 -10.287 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.670 3.790 -7.725 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.114 2.063 -9.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.590 3.375 -5.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.019 2.002 -7.791 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.241 2.660 -5.756 1.00 0.00 H new ATOM 312 N MET A 19 -7.347 1.543 -14.502 1.00 0.00 N ATOM 313 CA MET A 19 -7.247 1.518 -15.955 1.00 0.00 C ATOM 314 C MET A 19 -6.529 0.254 -16.387 1.00 0.00 C ATOM 315 O MET A 19 -6.968 -0.451 -17.299 1.00 0.00 O ATOM 316 CB MET A 19 -6.498 2.729 -16.508 1.00 0.00 C ATOM 317 CG MET A 19 -7.210 4.058 -16.314 1.00 0.00 C ATOM 318 SD MET A 19 -6.861 5.213 -17.655 1.00 0.00 S ATOM 319 CE MET A 19 -5.100 4.956 -17.856 1.00 0.00 C ATOM 0 H MET A 19 -6.465 1.369 -14.020 1.00 0.00 H new ATOM 0 HA MET A 19 -8.262 1.545 -16.352 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.520 2.783 -16.031 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.325 2.577 -17.573 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.285 3.888 -16.252 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.902 4.499 -15.366 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.558 5.791 -17.413 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.808 4.030 -17.360 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.861 4.890 -18.917 1.00 0.00 H new ATOM 329 N THR A 20 -5.407 -0.016 -15.734 1.00 0.00 N ATOM 330 CA THR A 20 -4.677 -1.250 -15.946 1.00 0.00 C ATOM 331 C THR A 20 -5.317 -2.364 -15.134 1.00 0.00 C ATOM 332 O THR A 20 -6.523 -2.353 -14.892 1.00 0.00 O ATOM 333 CB THR A 20 -3.209 -1.103 -15.533 1.00 0.00 C ATOM 334 OG1 THR A 20 -2.842 0.282 -15.510 1.00 0.00 O ATOM 335 CG2 THR A 20 -2.303 -1.847 -16.499 1.00 0.00 C ATOM 0 H THR A 20 -4.983 0.610 -15.049 1.00 0.00 H new ATOM 0 HA THR A 20 -4.714 -1.490 -17.009 1.00 0.00 H new ATOM 0 HB THR A 20 -3.091 -1.529 -14.537 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.276 0.483 -16.284 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.265 -1.730 -16.188 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.564 -2.905 -16.501 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.429 -1.440 -17.502 1.00 0.00 H new ATOM 343 N ASN A 21 -4.517 -3.333 -14.728 1.00 0.00 N ATOM 344 CA ASN A 21 -5.015 -4.454 -13.954 1.00 0.00 C ATOM 345 C ASN A 21 -4.013 -4.803 -12.889 1.00 0.00 C ATOM 346 O ASN A 21 -4.173 -4.436 -11.734 1.00 0.00 O ATOM 347 CB ASN A 21 -5.254 -5.670 -14.853 1.00 0.00 C ATOM 348 CG ASN A 21 -6.095 -5.317 -16.050 1.00 0.00 C ATOM 349 OD1 ASN A 21 -7.302 -5.544 -16.073 1.00 0.00 O ATOM 350 ND2 ASN A 21 -5.460 -4.726 -17.043 1.00 0.00 N ATOM 0 H ASN A 21 -3.516 -3.366 -14.923 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.963 -4.172 -13.496 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.297 -6.071 -15.186 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.747 -6.456 -14.280 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.973 -4.436 -17.876 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.456 -4.558 -16.978 1.00 0.00 H new ATOM 357 N ALA A 22 -2.951 -5.464 -13.311 1.00 0.00 N ATOM 358 CA ALA A 22 -1.940 -5.955 -12.388 1.00 0.00 C ATOM 359 C ALA A 22 -0.853 -6.730 -13.102 1.00 0.00 C ATOM 360 O ALA A 22 -1.119 -7.728 -13.770 1.00 0.00 O ATOM 361 CB ALA A 22 -2.568 -6.842 -11.321 1.00 0.00 C ATOM 0 H ALA A 22 -2.764 -5.675 -14.291 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.490 -5.080 -11.919 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.793 -7.198 -10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.307 -6.269 -10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.054 -7.694 -11.796 1.00 0.00 H new ATOM 367 N GLN A 23 0.365 -6.256 -12.971 1.00 0.00 N ATOM 368 CA GLN A 23 1.525 -7.052 -13.302 1.00 0.00 C ATOM 369 C GLN A 23 2.209 -7.418 -11.996 1.00 0.00 C ATOM 370 O GLN A 23 2.905 -6.591 -11.401 1.00 0.00 O ATOM 371 CB GLN A 23 2.476 -6.290 -14.228 1.00 0.00 C ATOM 372 CG GLN A 23 3.748 -7.053 -14.558 1.00 0.00 C ATOM 373 CD GLN A 23 4.720 -6.247 -15.398 1.00 0.00 C ATOM 374 OE1 GLN A 23 4.321 -5.406 -16.204 1.00 0.00 O ATOM 375 NE2 GLN A 23 6.007 -6.495 -15.208 1.00 0.00 N ATOM 0 H GLN A 23 0.579 -5.317 -12.635 1.00 0.00 H new ATOM 0 HA GLN A 23 1.226 -7.951 -13.841 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.954 -6.053 -15.155 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.742 -5.342 -13.761 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.238 -7.351 -13.631 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.489 -7.968 -15.090 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.296 -7.200 -14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.709 -5.981 -15.740 1.00 0.00 H new ATOM 384 N LEU A 24 1.943 -8.627 -11.516 1.00 0.00 N ATOM 385 CA LEU A 24 2.399 -9.045 -10.200 1.00 0.00 C ATOM 386 C LEU A 24 3.915 -9.036 -10.106 1.00 0.00 C ATOM 387 O LEU A 24 4.601 -9.764 -10.823 1.00 0.00 O ATOM 388 CB LEU A 24 1.862 -10.436 -9.853 1.00 0.00 C ATOM 389 CG LEU A 24 2.272 -10.962 -8.471 1.00 0.00 C ATOM 390 CD1 LEU A 24 1.845 -10.000 -7.378 1.00 0.00 C ATOM 391 CD2 LEU A 24 1.671 -12.330 -8.220 1.00 0.00 C ATOM 0 H LEU A 24 1.412 -9.336 -12.022 1.00 0.00 H new ATOM 0 HA LEU A 24 2.009 -8.326 -9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.774 -10.413 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.205 -11.141 -10.610 1.00 0.00 H new ATOM 0 HG LEU A 24 3.359 -11.047 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.147 -10.395 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.319 -9.032 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.762 -9.881 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.974 -12.685 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.584 -12.263 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.022 -13.027 -8.981 1.00 0.00 H new ATOM 403 N LEU A 25 4.422 -8.180 -9.238 1.00 0.00 N ATOM 404 CA LEU A 25 5.835 -8.155 -8.928 1.00 0.00 C ATOM 405 C LEU A 25 6.110 -9.173 -7.839 1.00 0.00 C ATOM 406 O LEU A 25 7.088 -9.917 -7.891 1.00 0.00 O ATOM 407 CB LEU A 25 6.244 -6.758 -8.468 1.00 0.00 C ATOM 408 CG LEU A 25 6.122 -5.668 -9.533 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.514 -4.319 -8.956 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.988 -5.996 -10.739 1.00 0.00 C ATOM 0 H LEU A 25 3.869 -7.488 -8.733 1.00 0.00 H new ATOM 0 HA LEU A 25 6.416 -8.404 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.630 -6.479 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.277 -6.793 -8.122 1.00 0.00 H new ATOM 0 HG LEU A 25 5.083 -5.622 -9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.422 -3.553 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.856 -4.075 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.545 -4.359 -8.606 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.887 -5.208 -11.485 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.030 -6.070 -10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.669 -6.945 -11.169 1.00 0.00 H new ATOM 422 N GLY A 26 5.220 -9.203 -6.859 1.00 0.00 N ATOM 423 CA GLY A 26 5.306 -10.178 -5.801 1.00 0.00 C ATOM 424 C GLY A 26 4.572 -9.712 -4.565 1.00 0.00 C ATOM 425 O GLY A 26 4.530 -8.511 -4.290 1.00 0.00 O ATOM 0 H GLY A 26 4.432 -8.560 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.886 -11.125 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.352 -10.362 -5.558 1.00 0.00 H new ATOM 429 N ASP A 27 3.980 -10.636 -3.822 1.00 0.00 N ATOM 430 CA ASP A 27 3.291 -10.258 -2.598 1.00 0.00 C ATOM 431 C ASP A 27 4.286 -9.934 -1.512 1.00 0.00 C ATOM 432 O ASP A 27 5.407 -10.458 -1.485 1.00 0.00 O ATOM 433 CB ASP A 27 2.312 -11.323 -2.106 1.00 0.00 C ATOM 434 CG ASP A 27 2.963 -12.656 -1.815 1.00 0.00 C ATOM 435 OD1 ASP A 27 3.428 -12.859 -0.677 1.00 0.00 O ATOM 436 OD2 ASP A 27 3.004 -13.514 -2.719 1.00 0.00 O ATOM 0 H ASP A 27 3.962 -11.632 -4.039 1.00 0.00 H new ATOM 0 HA ASP A 27 2.703 -9.372 -2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.821 -10.963 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.534 -11.464 -2.857 1.00 0.00 H new ATOM 441 N PHE A 28 3.863 -9.068 -0.626 1.00 0.00 N ATOM 442 CA PHE A 28 4.725 -8.554 0.422 1.00 0.00 C ATOM 443 C PHE A 28 3.888 -8.048 1.593 1.00 0.00 C ATOM 444 O PHE A 28 3.272 -6.989 1.518 1.00 0.00 O ATOM 445 CB PHE A 28 5.612 -7.439 -0.153 1.00 0.00 C ATOM 446 CG PHE A 28 6.525 -6.772 0.840 1.00 0.00 C ATOM 447 CD1 PHE A 28 7.143 -7.499 1.846 1.00 0.00 C ATOM 448 CD2 PHE A 28 6.763 -5.412 0.758 1.00 0.00 C ATOM 449 CE1 PHE A 28 7.980 -6.876 2.753 1.00 0.00 C ATOM 450 CE2 PHE A 28 7.597 -4.784 1.660 1.00 0.00 C ATOM 451 CZ PHE A 28 8.207 -5.515 2.658 1.00 0.00 C ATOM 0 H PHE A 28 2.913 -8.696 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 28 5.367 -9.352 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.218 -7.857 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.970 -6.680 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.969 -8.562 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.290 -4.834 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.456 -7.451 3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.772 -3.721 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.861 -5.025 3.364 1.00 0.00 H new ATOM 461 N SER A 29 3.846 -8.830 2.655 1.00 0.00 N ATOM 462 CA SER A 29 3.132 -8.444 3.855 1.00 0.00 C ATOM 463 C SER A 29 4.074 -7.704 4.796 1.00 0.00 C ATOM 464 O SER A 29 5.118 -8.233 5.181 1.00 0.00 O ATOM 465 CB SER A 29 2.526 -9.679 4.533 1.00 0.00 C ATOM 466 OG SER A 29 3.491 -10.707 4.713 1.00 0.00 O ATOM 0 H SER A 29 4.301 -9.741 2.710 1.00 0.00 H new ATOM 0 HA SER A 29 2.314 -7.774 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.111 -9.396 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.700 -10.057 3.930 1.00 0.00 H new ATOM 0 HG SER A 29 4.382 -10.308 4.798 1.00 0.00 H new ATOM 472 N ILE A 30 3.716 -6.483 5.164 1.00 0.00 N ATOM 473 CA ILE A 30 4.612 -5.650 5.944 1.00 0.00 C ATOM 474 C ILE A 30 4.193 -5.599 7.399 1.00 0.00 C ATOM 475 O ILE A 30 3.047 -5.290 7.724 1.00 0.00 O ATOM 476 CB ILE A 30 4.719 -4.223 5.373 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.346 -3.571 5.233 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.420 -4.258 4.030 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.400 -2.214 4.567 1.00 0.00 C ATOM 0 H ILE A 30 2.820 -6.052 4.937 1.00 0.00 H new ATOM 0 HA ILE A 30 5.598 -6.111 5.882 1.00 0.00 H new ATOM 0 HB ILE A 30 5.301 -3.622 6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.696 -4.227 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.897 -3.467 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.493 -3.246 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.421 -4.673 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.852 -4.880 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.393 -1.803 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.025 -1.544 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.821 -2.316 3.567 1.00 0.00 H new ATOM 491 N ASP A 31 5.131 -5.930 8.265 1.00 0.00 N ATOM 492 CA ASP A 31 4.895 -5.940 9.698 1.00 0.00 C ATOM 493 C ASP A 31 5.094 -4.543 10.271 1.00 0.00 C ATOM 494 O ASP A 31 5.728 -3.699 9.638 1.00 0.00 O ATOM 495 CB ASP A 31 5.838 -6.941 10.372 1.00 0.00 C ATOM 496 CG ASP A 31 5.548 -7.125 11.849 1.00 0.00 C ATOM 497 OD1 ASP A 31 4.359 -7.100 12.232 1.00 0.00 O ATOM 498 OD2 ASP A 31 6.510 -7.317 12.626 1.00 0.00 O ATOM 0 H ASP A 31 6.077 -6.199 7.997 1.00 0.00 H new ATOM 0 HA ASP A 31 3.867 -6.246 9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.757 -7.904 9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.867 -6.603 10.249 1.00 0.00 H new ATOM 503 N ASN A 32 4.549 -4.318 11.466 1.00 0.00 N ATOM 504 CA ASN A 32 4.589 -3.018 12.141 1.00 0.00 C ATOM 505 C ASN A 32 3.626 -2.025 11.494 1.00 0.00 C ATOM 506 O ASN A 32 3.827 -0.815 11.573 1.00 0.00 O ATOM 507 CB ASN A 32 6.009 -2.433 12.162 1.00 0.00 C ATOM 508 CG ASN A 32 6.973 -3.255 12.997 1.00 0.00 C ATOM 509 OD1 ASN A 32 7.124 -3.024 14.198 1.00 0.00 O ATOM 510 ND2 ASN A 32 7.639 -4.210 12.367 1.00 0.00 N ATOM 0 H ASN A 32 4.062 -5.039 11.999 1.00 0.00 H new ATOM 0 HA ASN A 32 4.274 -3.188 13.170 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.385 -2.368 11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.972 -1.417 12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.307 -4.788 12.877 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.484 -4.368 11.371 1.00 0.00 H new ATOM 517 N TYR A 33 2.569 -2.533 10.865 1.00 0.00 N ATOM 518 CA TYR A 33 1.528 -1.672 10.301 1.00 0.00 C ATOM 519 C TYR A 33 0.143 -2.253 10.573 1.00 0.00 C ATOM 520 O TYR A 33 -0.030 -3.465 10.630 1.00 0.00 O ATOM 521 CB TYR A 33 1.712 -1.483 8.788 1.00 0.00 C ATOM 522 CG TYR A 33 3.014 -0.824 8.393 1.00 0.00 C ATOM 523 CD1 TYR A 33 3.142 0.559 8.391 1.00 0.00 C ATOM 524 CD2 TYR A 33 4.111 -1.585 8.023 1.00 0.00 C ATOM 525 CE1 TYR A 33 4.329 1.164 8.029 1.00 0.00 C ATOM 526 CE2 TYR A 33 5.302 -0.991 7.660 1.00 0.00 C ATOM 527 CZ TYR A 33 5.407 0.385 7.665 1.00 0.00 C ATOM 528 OH TYR A 33 6.591 0.982 7.304 1.00 0.00 O ATOM 0 H TYR A 33 2.409 -3.532 10.732 1.00 0.00 H new ATOM 0 HA TYR A 33 1.616 -0.700 10.786 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.650 -2.457 8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.885 -0.884 8.406 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.299 1.171 8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.032 -2.662 8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.413 2.241 8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.147 -1.599 7.374 1.00 0.00 H new ATOM 0 HH TYR A 33 7.249 0.292 7.077 1.00 0.00 H new ATOM 538 N GLN A 34 -0.841 -1.384 10.744 1.00 0.00 N ATOM 539 CA GLN A 34 -2.214 -1.817 10.968 1.00 0.00 C ATOM 540 C GLN A 34 -3.134 -1.224 9.910 1.00 0.00 C ATOM 541 O GLN A 34 -2.823 -0.188 9.321 1.00 0.00 O ATOM 542 CB GLN A 34 -2.675 -1.438 12.378 1.00 0.00 C ATOM 543 CG GLN A 34 -2.013 -2.272 13.461 1.00 0.00 C ATOM 544 CD GLN A 34 -2.159 -1.677 14.845 1.00 0.00 C ATOM 545 OE1 GLN A 34 -1.307 -0.910 15.289 1.00 0.00 O ATOM 546 NE2 GLN A 34 -3.233 -2.022 15.535 1.00 0.00 N ATOM 0 H GLN A 34 -0.715 -0.372 10.732 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.257 -2.903 10.884 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.458 -0.384 12.555 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.756 -1.557 12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.445 -3.273 13.455 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.953 -2.381 13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.916 -2.662 15.129 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.378 -1.648 16.473 1.00 0.00 H new ATOM 555 N LEU A 35 -4.264 -1.878 9.673 1.00 0.00 N ATOM 556 CA LEU A 35 -5.128 -1.522 8.556 1.00 0.00 C ATOM 557 C LEU A 35 -6.500 -1.065 9.048 1.00 0.00 C ATOM 558 O LEU A 35 -7.078 -1.676 9.939 1.00 0.00 O ATOM 559 CB LEU A 35 -5.269 -2.732 7.628 1.00 0.00 C ATOM 560 CG LEU A 35 -6.048 -2.492 6.334 1.00 0.00 C ATOM 561 CD1 LEU A 35 -5.340 -1.468 5.463 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.220 -3.799 5.579 1.00 0.00 C ATOM 0 H LEU A 35 -4.603 -2.656 10.239 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.680 -0.692 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.271 -3.085 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.758 -3.535 8.180 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.032 -2.100 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.911 -1.312 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.257 -0.525 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.343 -1.831 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.776 -3.617 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.240 -4.210 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.767 -4.508 6.200 1.00 0.00 H new ATOM 574 N TYR A 36 -7.005 0.017 8.476 1.00 0.00 N ATOM 575 CA TYR A 36 -8.321 0.536 8.831 1.00 0.00 C ATOM 576 C TYR A 36 -9.365 0.158 7.797 1.00 0.00 C ATOM 577 O TYR A 36 -9.082 0.091 6.598 1.00 0.00 O ATOM 578 CB TYR A 36 -8.293 2.059 8.952 1.00 0.00 C ATOM 579 CG TYR A 36 -7.376 2.565 10.034 1.00 0.00 C ATOM 580 CD1 TYR A 36 -6.032 2.783 9.776 1.00 0.00 C ATOM 581 CD2 TYR A 36 -7.851 2.816 11.314 1.00 0.00 C ATOM 582 CE1 TYR A 36 -5.183 3.239 10.757 1.00 0.00 C ATOM 583 CE2 TYR A 36 -7.008 3.274 12.308 1.00 0.00 C ATOM 584 CZ TYR A 36 -5.673 3.484 12.025 1.00 0.00 C ATOM 585 OH TYR A 36 -4.829 3.937 13.013 1.00 0.00 O ATOM 0 H TYR A 36 -6.521 0.557 7.759 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.585 0.092 9.791 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.983 2.485 7.997 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.304 2.417 9.148 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.644 2.591 8.786 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.895 2.651 11.536 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.139 3.405 10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.391 3.466 13.299 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.334 4.059 13.844 1.00 0.00 H new ATOM 595 N SER A 37 -10.573 -0.084 8.272 1.00 0.00 N ATOM 596 CA SER A 37 -11.711 -0.298 7.405 1.00 0.00 C ATOM 597 C SER A 37 -12.643 0.908 7.480 1.00 0.00 C ATOM 598 O SER A 37 -13.319 1.124 8.492 1.00 0.00 O ATOM 599 CB SER A 37 -12.453 -1.566 7.819 1.00 0.00 C ATOM 600 OG SER A 37 -11.569 -2.669 7.874 1.00 0.00 O ATOM 0 H SER A 37 -10.790 -0.137 9.267 1.00 0.00 H new ATOM 0 HA SER A 37 -11.365 -0.418 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.919 -1.419 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 37 -13.255 -1.772 7.110 1.00 0.00 H new ATOM 0 HG SER A 37 -12.063 -3.471 8.143 1.00 0.00 H new ATOM 606 N LEU A 38 -12.639 1.718 6.426 1.00 0.00 N ATOM 607 CA LEU A 38 -13.504 2.889 6.358 1.00 0.00 C ATOM 608 C LEU A 38 -14.496 2.772 5.201 1.00 0.00 C ATOM 609 O LEU A 38 -15.072 3.767 4.749 1.00 0.00 O ATOM 610 CB LEU A 38 -12.685 4.191 6.256 1.00 0.00 C ATOM 611 CG LEU A 38 -11.542 4.222 5.237 1.00 0.00 C ATOM 612 CD1 LEU A 38 -11.214 5.661 4.880 1.00 0.00 C ATOM 613 CD2 LEU A 38 -10.299 3.538 5.793 1.00 0.00 C ATOM 0 H LEU A 38 -12.046 1.584 5.607 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.073 2.931 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.371 5.004 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.266 4.404 7.240 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.862 3.685 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.400 5.680 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.094 6.139 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.912 6.199 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.502 3.573 5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.975 4.052 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.530 2.499 6.028 1.00 0.00 H new ATOM 625 N GLY A 39 -14.684 1.545 4.727 1.00 0.00 N ATOM 626 CA GLY A 39 -15.724 1.258 3.752 1.00 0.00 C ATOM 627 C GLY A 39 -15.354 1.655 2.339 1.00 0.00 C ATOM 628 O GLY A 39 -15.135 0.794 1.488 1.00 0.00 O ATOM 0 H GLY A 39 -14.129 0.735 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.947 0.191 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.636 1.781 4.041 1.00 0.00 H new ATOM 632 N HIS A 40 -15.292 2.966 2.104 1.00 0.00 N ATOM 633 CA HIS A 40 -14.990 3.526 0.782 1.00 0.00 C ATOM 634 C HIS A 40 -13.732 2.898 0.199 1.00 0.00 C ATOM 635 O HIS A 40 -13.705 2.470 -0.955 1.00 0.00 O ATOM 636 CB HIS A 40 -14.791 5.049 0.871 1.00 0.00 C ATOM 637 CG HIS A 40 -16.011 5.814 1.278 1.00 0.00 C ATOM 638 ND1 HIS A 40 -16.321 6.094 2.591 1.00 0.00 N ATOM 639 CD2 HIS A 40 -16.985 6.385 0.534 1.00 0.00 C ATOM 640 CE1 HIS A 40 -17.434 6.800 2.634 1.00 0.00 C ATOM 641 NE2 HIS A 40 -17.858 6.990 1.400 1.00 0.00 N ATOM 0 H HIS A 40 -15.449 3.672 2.824 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.837 3.305 0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.993 5.257 1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.455 5.416 -0.099 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -17.061 6.368 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -17.917 7.162 3.530 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -18.698 7.503 1.134 1.00 0.00 H new ATOM 650 N TYR A 41 -12.698 2.848 1.018 1.00 0.00 N ATOM 651 CA TYR A 41 -11.402 2.324 0.620 1.00 0.00 C ATOM 652 C TYR A 41 -10.615 1.946 1.866 1.00 0.00 C ATOM 653 O TYR A 41 -11.017 2.304 2.973 1.00 0.00 O ATOM 654 CB TYR A 41 -10.637 3.363 -0.221 1.00 0.00 C ATOM 655 CG TYR A 41 -10.761 4.788 0.283 1.00 0.00 C ATOM 656 CD1 TYR A 41 -10.047 5.228 1.391 1.00 0.00 C ATOM 657 CD2 TYR A 41 -11.597 5.694 -0.358 1.00 0.00 C ATOM 658 CE1 TYR A 41 -10.166 6.527 1.846 1.00 0.00 C ATOM 659 CE2 TYR A 41 -11.720 6.994 0.092 1.00 0.00 C ATOM 660 CZ TYR A 41 -11.003 7.405 1.193 1.00 0.00 C ATOM 661 OH TYR A 41 -11.126 8.700 1.643 1.00 0.00 O ATOM 0 H TYR A 41 -12.733 3.172 1.985 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.540 1.436 0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.582 3.089 -0.244 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.000 3.320 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.388 4.543 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.160 5.376 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.605 6.853 2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.376 7.685 -0.417 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.520 9.281 1.137 1.00 0.00 H new ATOM 671 N PRO A 42 -9.526 1.182 1.725 1.00 0.00 N ATOM 672 CA PRO A 42 -8.676 0.819 2.848 1.00 0.00 C ATOM 673 C PRO A 42 -7.637 1.895 3.159 1.00 0.00 C ATOM 674 O PRO A 42 -7.328 2.742 2.319 1.00 0.00 O ATOM 675 CB PRO A 42 -7.984 -0.471 2.378 1.00 0.00 C ATOM 676 CG PRO A 42 -8.440 -0.708 0.968 1.00 0.00 C ATOM 677 CD PRO A 42 -9.044 0.578 0.483 1.00 0.00 C ATOM 0 HA PRO A 42 -9.250 0.698 3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.900 -0.369 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.252 -1.311 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.603 -1.004 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.170 -1.516 0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.310 1.209 -0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.853 0.405 -0.226 1.00 0.00 H new ATOM 685 N GLY A 43 -7.111 1.860 4.373 1.00 0.00 N ATOM 686 CA GLY A 43 -6.058 2.776 4.765 1.00 0.00 C ATOM 687 C GLY A 43 -5.216 2.179 5.867 1.00 0.00 C ATOM 688 O GLY A 43 -5.752 1.564 6.778 1.00 0.00 O ATOM 0 H GLY A 43 -7.398 1.207 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.430 3.006 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.494 3.717 5.102 1.00 0.00 H new ATOM 692 N ALA A 44 -3.905 2.335 5.795 1.00 0.00 N ATOM 693 CA ALA A 44 -3.023 1.694 6.762 1.00 0.00 C ATOM 694 C ALA A 44 -2.141 2.717 7.459 1.00 0.00 C ATOM 695 O ALA A 44 -2.051 3.860 7.014 1.00 0.00 O ATOM 696 CB ALA A 44 -2.178 0.632 6.076 1.00 0.00 C ATOM 0 H ALA A 44 -3.429 2.893 5.086 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.638 1.213 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.523 0.160 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.830 -0.121 5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.575 1.095 5.295 1.00 0.00 H new ATOM 702 N VAL A 45 -1.511 2.304 8.562 1.00 0.00 N ATOM 703 CA VAL A 45 -0.604 3.170 9.321 1.00 0.00 C ATOM 704 C VAL A 45 0.461 2.335 10.016 1.00 0.00 C ATOM 705 O VAL A 45 0.282 1.130 10.193 1.00 0.00 O ATOM 706 CB VAL A 45 -1.326 3.996 10.413 1.00 0.00 C ATOM 707 CG1 VAL A 45 -2.356 4.934 9.817 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.955 3.076 11.454 1.00 0.00 C ATOM 0 H VAL A 45 -1.614 1.367 8.952 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.169 3.855 8.593 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.579 4.614 10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.841 5.496 10.615 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.865 5.626 9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.104 4.356 9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.458 3.675 12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.680 2.421 10.970 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.178 2.473 11.924 1.00 0.00 H new ATOM 718 N PRO A 46 1.582 2.957 10.409 1.00 0.00 N ATOM 719 CA PRO A 46 2.591 2.291 11.232 1.00 0.00 C ATOM 720 C PRO A 46 2.056 1.980 12.631 1.00 0.00 C ATOM 721 O PRO A 46 1.514 2.854 13.311 1.00 0.00 O ATOM 722 CB PRO A 46 3.745 3.297 11.297 1.00 0.00 C ATOM 723 CG PRO A 46 3.134 4.616 10.969 1.00 0.00 C ATOM 724 CD PRO A 46 1.967 4.336 10.063 1.00 0.00 C ATOM 0 HA PRO A 46 2.894 1.330 10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.201 3.310 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.531 3.040 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.807 5.128 11.874 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.858 5.267 10.479 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.149 5.036 10.235 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.245 4.423 9.013 1.00 0.00 H new ATOM 732 N GLY A 47 2.211 0.735 13.045 1.00 0.00 N ATOM 733 CA GLY A 47 1.717 0.302 14.335 1.00 0.00 C ATOM 734 C GLY A 47 2.287 -1.049 14.712 1.00 0.00 C ATOM 735 O GLY A 47 3.504 -1.207 14.797 1.00 0.00 O ATOM 0 H GLY A 47 2.676 0.007 12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.983 1.037 15.095 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.629 0.247 14.311 1.00 0.00 H new ATOM 739 N ASN A 48 1.420 -2.031 14.918 1.00 0.00 N ATOM 740 CA ASN A 48 1.866 -3.384 15.226 1.00 0.00 C ATOM 741 C ASN A 48 0.961 -4.413 14.563 1.00 0.00 C ATOM 742 O ASN A 48 -0.081 -4.797 15.098 1.00 0.00 O ATOM 743 CB ASN A 48 1.927 -3.617 16.739 1.00 0.00 C ATOM 744 CG ASN A 48 2.488 -4.986 17.091 1.00 0.00 C ATOM 745 OD1 ASN A 48 1.743 -5.937 17.332 1.00 0.00 O ATOM 746 ND2 ASN A 48 3.808 -5.098 17.111 1.00 0.00 N ATOM 0 H ASN A 48 0.407 -1.917 14.878 1.00 0.00 H new ATOM 0 HA ASN A 48 2.874 -3.501 14.827 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.544 -2.845 17.198 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.927 -3.518 17.160 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.240 -5.995 17.332 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.392 -4.287 16.906 1.00 0.00 H new ATOM 753 N GLY A 49 1.352 -4.811 13.365 1.00 0.00 N ATOM 754 CA GLY A 49 0.642 -5.836 12.630 1.00 0.00 C ATOM 755 C GLY A 49 1.298 -6.087 11.293 1.00 0.00 C ATOM 756 O GLY A 49 2.109 -5.282 10.847 1.00 0.00 O ATOM 0 H GLY A 49 2.166 -4.434 12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.623 -6.759 13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.394 -5.532 12.481 1.00 0.00 H new ATOM 760 N THR A 50 0.960 -7.185 10.649 1.00 0.00 N ATOM 761 CA THR A 50 1.547 -7.517 9.365 1.00 0.00 C ATOM 762 C THR A 50 0.495 -7.435 8.260 1.00 0.00 C ATOM 763 O THR A 50 -0.355 -8.316 8.124 1.00 0.00 O ATOM 764 CB THR A 50 2.169 -8.923 9.404 1.00 0.00 C ATOM 765 OG1 THR A 50 3.008 -9.042 10.561 1.00 0.00 O ATOM 766 CG2 THR A 50 2.993 -9.189 8.154 1.00 0.00 C ATOM 0 H THR A 50 0.281 -7.864 10.993 1.00 0.00 H new ATOM 0 HA THR A 50 2.335 -6.795 9.151 1.00 0.00 H new ATOM 0 HB THR A 50 1.363 -9.655 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.311 -8.152 10.838 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.422 -10.190 8.207 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.354 -9.114 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.795 -8.454 8.084 1.00 0.00 H new ATOM 774 N VAL A 51 0.575 -6.385 7.451 1.00 0.00 N ATOM 775 CA VAL A 51 -0.458 -6.105 6.469 1.00 0.00 C ATOM 776 C VAL A 51 -0.243 -6.937 5.219 1.00 0.00 C ATOM 777 O VAL A 51 0.781 -6.816 4.548 1.00 0.00 O ATOM 778 CB VAL A 51 -0.491 -4.610 6.081 1.00 0.00 C ATOM 779 CG1 VAL A 51 -1.577 -4.339 5.047 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.706 -3.744 7.313 1.00 0.00 C ATOM 0 H VAL A 51 1.345 -5.716 7.458 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.412 -6.365 6.927 1.00 0.00 H new ATOM 0 HB VAL A 51 0.472 -4.355 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.579 -3.280 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.382 -4.928 4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.548 -4.615 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.726 -2.694 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.653 -4.008 7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.108 -3.908 8.020 1.00 0.00 H new ATOM 790 N HIS A 52 -1.213 -7.792 4.928 1.00 0.00 N ATOM 791 CA HIS A 52 -1.151 -8.653 3.764 1.00 0.00 C ATOM 792 C HIS A 52 -1.407 -7.844 2.505 1.00 0.00 C ATOM 793 O HIS A 52 -2.550 -7.507 2.190 1.00 0.00 O ATOM 794 CB HIS A 52 -2.171 -9.786 3.873 1.00 0.00 C ATOM 795 CG HIS A 52 -1.909 -10.746 4.995 1.00 0.00 C ATOM 796 ND1 HIS A 52 -1.183 -11.905 4.839 1.00 0.00 N ATOM 797 CD2 HIS A 52 -2.302 -10.725 6.289 1.00 0.00 C ATOM 798 CE1 HIS A 52 -1.142 -12.553 5.987 1.00 0.00 C ATOM 799 NE2 HIS A 52 -1.818 -11.863 6.889 1.00 0.00 N ATOM 0 H HIS A 52 -2.057 -7.905 5.489 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.154 -9.091 3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.163 -9.354 4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.185 -10.338 2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.890 -9.954 6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.639 -13.493 6.161 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -1.957 -12.129 7.864 1.00 0.00 H new ATOM 808 N GLY A 53 -0.338 -7.505 1.810 1.00 0.00 N ATOM 809 CA GLY A 53 -0.465 -6.758 0.583 1.00 0.00 C ATOM 810 C GLY A 53 0.363 -7.359 -0.528 1.00 0.00 C ATOM 811 O GLY A 53 1.221 -8.213 -0.281 1.00 0.00 O ATOM 0 H GLY A 53 0.620 -7.735 2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.512 -6.730 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.154 -5.727 0.751 1.00 0.00 H new ATOM 815 N GLU A 54 0.100 -6.937 -1.751 1.00 0.00 N ATOM 816 CA GLU A 54 0.859 -7.400 -2.898 1.00 0.00 C ATOM 817 C GLU A 54 1.427 -6.207 -3.659 1.00 0.00 C ATOM 818 O GLU A 54 0.741 -5.201 -3.853 1.00 0.00 O ATOM 819 CB GLU A 54 -0.013 -8.261 -3.822 1.00 0.00 C ATOM 820 CG GLU A 54 -0.491 -9.559 -3.181 1.00 0.00 C ATOM 821 CD GLU A 54 -1.262 -10.446 -4.143 1.00 0.00 C ATOM 822 OE1 GLU A 54 -0.666 -10.911 -5.140 1.00 0.00 O ATOM 823 OE2 GLU A 54 -2.461 -10.703 -3.900 1.00 0.00 O ATOM 0 H GLU A 54 -0.638 -6.270 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 54 1.682 -8.019 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.881 -7.679 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.552 -8.498 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.370 -10.108 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.124 -9.324 -2.325 1.00 0.00 H new ATOM 830 N VAL A 55 2.687 -6.310 -4.060 1.00 0.00 N ATOM 831 CA VAL A 55 3.332 -5.244 -4.815 1.00 0.00 C ATOM 832 C VAL A 55 3.051 -5.424 -6.301 1.00 0.00 C ATOM 833 O VAL A 55 3.393 -6.454 -6.889 1.00 0.00 O ATOM 834 CB VAL A 55 4.860 -5.211 -4.568 1.00 0.00 C ATOM 835 CG1 VAL A 55 5.501 -4.026 -5.277 1.00 0.00 C ATOM 836 CG2 VAL A 55 5.160 -5.165 -3.078 1.00 0.00 C ATOM 0 H VAL A 55 3.281 -7.118 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 55 2.920 -4.294 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 55 5.288 -6.125 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.574 -4.026 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.322 -4.103 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.066 -3.099 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.239 -5.142 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.713 -4.271 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.743 -6.049 -2.596 1.00 0.00 H new ATOM 846 N TYR A 56 2.410 -4.431 -6.902 1.00 0.00 N ATOM 847 CA TYR A 56 2.000 -4.536 -8.291 1.00 0.00 C ATOM 848 C TYR A 56 2.580 -3.433 -9.157 1.00 0.00 C ATOM 849 O TYR A 56 2.984 -2.372 -8.677 1.00 0.00 O ATOM 850 CB TYR A 56 0.477 -4.506 -8.415 1.00 0.00 C ATOM 851 CG TYR A 56 -0.198 -5.802 -8.044 1.00 0.00 C ATOM 852 CD1 TYR A 56 -0.083 -6.918 -8.858 1.00 0.00 C ATOM 853 CD2 TYR A 56 -0.958 -5.908 -6.892 1.00 0.00 C ATOM 854 CE1 TYR A 56 -0.706 -8.105 -8.532 1.00 0.00 C ATOM 855 CE2 TYR A 56 -1.584 -7.090 -6.557 1.00 0.00 C ATOM 856 CZ TYR A 56 -1.457 -8.186 -7.381 1.00 0.00 C ATOM 857 OH TYR A 56 -2.077 -9.367 -7.045 1.00 0.00 O ATOM 0 H TYR A 56 2.165 -3.550 -6.451 1.00 0.00 H new ATOM 0 HA TYR A 56 2.387 -5.491 -8.646 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.087 -3.711 -7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.212 -4.252 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.504 -6.857 -9.762 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.062 -5.050 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.605 -8.966 -9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.171 -7.156 -5.653 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.471 -9.911 -6.499 1.00 0.00 H new ATOM 867 N ARG A 57 2.600 -3.714 -10.449 1.00 0.00 N ATOM 868 CA ARG A 57 3.037 -2.774 -11.461 1.00 0.00 C ATOM 869 C ARG A 57 1.849 -2.375 -12.334 1.00 0.00 C ATOM 870 O ARG A 57 1.272 -3.211 -13.034 1.00 0.00 O ATOM 871 CB ARG A 57 4.143 -3.434 -12.299 1.00 0.00 C ATOM 872 CG ARG A 57 4.719 -2.587 -13.435 1.00 0.00 C ATOM 873 CD ARG A 57 3.837 -2.622 -14.675 1.00 0.00 C ATOM 874 NE ARG A 57 4.536 -2.174 -15.877 1.00 0.00 N ATOM 875 CZ ARG A 57 3.934 -1.590 -16.913 1.00 0.00 C ATOM 876 NH1 ARG A 57 2.644 -1.274 -16.845 1.00 0.00 N ATOM 877 NH2 ARG A 57 4.623 -1.318 -18.013 1.00 0.00 N ATOM 0 H ARG A 57 2.308 -4.615 -10.827 1.00 0.00 H new ATOM 0 HA ARG A 57 3.435 -1.871 -10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.958 -3.714 -11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.748 -4.356 -12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.831 -1.556 -13.098 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.715 -2.949 -13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.473 -3.638 -14.829 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.963 -1.992 -14.512 1.00 0.00 H new ATOM 0 HE ARG A 57 5.545 -2.317 -15.926 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.113 -1.478 -15.999 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.186 -0.827 -17.639 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.613 -1.556 -18.066 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.162 -0.871 -18.806 1.00 0.00 H new ATOM 891 N ILE A 58 1.465 -1.111 -12.261 1.00 0.00 N ATOM 892 CA ILE A 58 0.433 -0.571 -13.139 1.00 0.00 C ATOM 893 C ILE A 58 1.002 0.565 -13.976 1.00 0.00 C ATOM 894 O ILE A 58 2.180 0.896 -13.841 1.00 0.00 O ATOM 895 CB ILE A 58 -0.820 -0.085 -12.360 1.00 0.00 C ATOM 896 CG1 ILE A 58 -0.447 0.654 -11.067 1.00 0.00 C ATOM 897 CG2 ILE A 58 -1.739 -1.253 -12.051 1.00 0.00 C ATOM 898 CD1 ILE A 58 0.004 2.082 -11.277 1.00 0.00 C ATOM 0 H ILE A 58 1.852 -0.436 -11.602 1.00 0.00 H new ATOM 0 HA ILE A 58 0.109 -1.383 -13.791 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.344 0.624 -13.002 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.308 0.651 -10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.348 0.104 -10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.612 -0.895 -11.505 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.060 -1.720 -12.982 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.206 -1.984 -11.444 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.248 2.532 -10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.886 2.095 -11.918 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.797 2.651 -11.750 1.00 0.00 H new ATOM 910 N ASP A 59 0.192 1.119 -14.869 1.00 0.00 N ATOM 911 CA ASP A 59 0.600 2.269 -15.682 1.00 0.00 C ATOM 912 C ASP A 59 1.111 3.428 -14.815 1.00 0.00 C ATOM 913 O ASP A 59 0.481 3.804 -13.825 1.00 0.00 O ATOM 914 CB ASP A 59 -0.556 2.735 -16.562 1.00 0.00 C ATOM 915 CG ASP A 59 -0.202 3.979 -17.339 1.00 0.00 C ATOM 916 OD1 ASP A 59 0.654 3.897 -18.244 1.00 0.00 O ATOM 917 OD2 ASP A 59 -0.756 5.044 -17.027 1.00 0.00 O ATOM 0 H ASP A 59 -0.757 0.792 -15.053 1.00 0.00 H new ATOM 0 HA ASP A 59 1.424 1.945 -16.318 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.829 1.939 -17.255 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.430 2.931 -15.941 1.00 0.00 H new ATOM 922 N ASN A 60 2.270 3.971 -15.173 1.00 0.00 N ATOM 923 CA ASN A 60 2.884 5.063 -14.416 1.00 0.00 C ATOM 924 C ASN A 60 2.057 6.346 -14.498 1.00 0.00 C ATOM 925 O ASN A 60 1.888 7.038 -13.494 1.00 0.00 O ATOM 926 CB ASN A 60 4.318 5.323 -14.897 1.00 0.00 C ATOM 927 CG ASN A 60 5.254 4.164 -14.599 1.00 0.00 C ATOM 928 OD1 ASN A 60 4.839 3.005 -14.567 1.00 0.00 O ATOM 929 ND2 ASN A 60 6.519 4.462 -14.360 1.00 0.00 N ATOM 0 H ASN A 60 2.808 3.673 -15.987 1.00 0.00 H new ATOM 0 HA ASN A 60 2.915 4.753 -13.372 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.309 5.511 -15.971 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.700 6.225 -14.419 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.185 3.721 -14.141 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.830 5.433 -14.395 1.00 0.00 H new ATOM 936 N ALA A 61 1.538 6.652 -15.685 1.00 0.00 N ATOM 937 CA ALA A 61 0.735 7.856 -15.885 1.00 0.00 C ATOM 938 C ALA A 61 -0.528 7.812 -15.033 1.00 0.00 C ATOM 939 O ALA A 61 -0.903 8.807 -14.420 1.00 0.00 O ATOM 940 CB ALA A 61 0.383 8.029 -17.357 1.00 0.00 C ATOM 0 H ALA A 61 1.659 6.083 -16.523 1.00 0.00 H new ATOM 0 HA ALA A 61 1.328 8.715 -15.571 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.215 8.931 -17.484 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.298 8.115 -17.942 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.187 7.165 -17.699 1.00 0.00 H new ATOM 946 N THR A 62 -1.173 6.648 -14.997 1.00 0.00 N ATOM 947 CA THR A 62 -2.340 6.425 -14.147 1.00 0.00 C ATOM 948 C THR A 62 -2.013 6.754 -12.693 1.00 0.00 C ATOM 949 O THR A 62 -2.811 7.365 -11.981 1.00 0.00 O ATOM 950 CB THR A 62 -2.823 4.957 -14.245 1.00 0.00 C ATOM 951 OG1 THR A 62 -3.016 4.598 -15.618 1.00 0.00 O ATOM 952 CG2 THR A 62 -4.128 4.749 -13.487 1.00 0.00 C ATOM 0 H THR A 62 -0.903 5.837 -15.553 1.00 0.00 H new ATOM 0 HA THR A 62 -3.136 7.083 -14.496 1.00 0.00 H new ATOM 0 HB THR A 62 -2.057 4.325 -13.796 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.239 4.883 -16.143 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.439 3.708 -13.576 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.981 4.995 -12.435 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.899 5.395 -13.906 1.00 0.00 H new ATOM 960 N LEU A 63 -0.816 6.365 -12.279 1.00 0.00 N ATOM 961 CA LEU A 63 -0.356 6.576 -10.917 1.00 0.00 C ATOM 962 C LEU A 63 -0.169 8.063 -10.674 1.00 0.00 C ATOM 963 O LEU A 63 -0.736 8.624 -9.741 1.00 0.00 O ATOM 964 CB LEU A 63 0.953 5.803 -10.676 1.00 0.00 C ATOM 965 CG LEU A 63 1.417 5.683 -9.214 1.00 0.00 C ATOM 966 CD1 LEU A 63 2.135 6.941 -8.753 1.00 0.00 C ATOM 967 CD2 LEU A 63 0.235 5.389 -8.306 1.00 0.00 C ATOM 0 H LEU A 63 -0.138 5.895 -12.878 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.100 6.200 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.836 4.798 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.745 6.286 -11.247 1.00 0.00 H new ATOM 0 HG LEU A 63 2.123 4.855 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.449 6.821 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.010 7.111 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.461 7.794 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.580 5.307 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.492 6.197 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.232 4.451 -8.608 1.00 0.00 H new ATOM 979 N ALA A 64 0.606 8.693 -11.548 1.00 0.00 N ATOM 980 CA ALA A 64 0.881 10.117 -11.448 1.00 0.00 C ATOM 981 C ALA A 64 -0.402 10.928 -11.532 1.00 0.00 C ATOM 982 O ALA A 64 -0.508 11.999 -10.939 1.00 0.00 O ATOM 983 CB ALA A 64 1.851 10.543 -12.538 1.00 0.00 C ATOM 0 H ALA A 64 1.057 8.234 -12.339 1.00 0.00 H new ATOM 0 HA ALA A 64 1.337 10.308 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.049 11.611 -12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.785 9.991 -12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.416 10.332 -13.515 1.00 0.00 H new ATOM 989 N GLU A 65 -1.386 10.409 -12.257 1.00 0.00 N ATOM 990 CA GLU A 65 -2.652 11.113 -12.398 1.00 0.00 C ATOM 991 C GLU A 65 -3.471 10.995 -11.119 1.00 0.00 C ATOM 992 O GLU A 65 -3.999 11.987 -10.613 1.00 0.00 O ATOM 993 CB GLU A 65 -3.444 10.577 -13.587 1.00 0.00 C ATOM 994 CG GLU A 65 -4.765 11.290 -13.795 1.00 0.00 C ATOM 995 CD GLU A 65 -5.476 10.838 -15.046 1.00 0.00 C ATOM 996 OE1 GLU A 65 -6.105 9.762 -15.026 1.00 0.00 O ATOM 997 OE2 GLU A 65 -5.410 11.557 -16.056 1.00 0.00 O ATOM 0 H GLU A 65 -1.333 9.517 -12.749 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.436 12.166 -12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.841 10.673 -14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.632 9.513 -13.440 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.408 11.115 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.589 12.364 -13.849 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.560 9.779 -10.600 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.281 9.520 -9.363 1.00 0.00 C ATOM 1006 C LEU A 66 -3.635 10.288 -8.220 1.00 0.00 C ATOM 1007 O LEU A 66 -4.315 10.962 -7.449 1.00 0.00 O ATOM 1008 CB LEU A 66 -4.281 8.010 -9.074 1.00 0.00 C ATOM 1009 CG LEU A 66 -5.183 7.526 -7.925 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -5.403 6.029 -8.040 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -4.581 7.844 -6.561 1.00 0.00 C ATOM 0 H LEU A 66 -3.138 8.951 -11.020 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.313 9.856 -9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.580 7.490 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.258 7.706 -8.855 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.134 8.053 -8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.042 5.691 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.882 5.804 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.443 5.515 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.248 7.486 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.613 7.352 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.451 8.922 -6.463 1.00 0.00 H new ATOM 1023 N ASP A 67 -2.316 10.198 -8.140 1.00 0.00 N ATOM 1024 CA ASP A 67 -1.562 10.791 -7.045 1.00 0.00 C ATOM 1025 C ASP A 67 -1.696 12.309 -7.032 1.00 0.00 C ATOM 1026 O ASP A 67 -1.882 12.921 -5.981 1.00 0.00 O ATOM 1027 CB ASP A 67 -0.093 10.402 -7.161 1.00 0.00 C ATOM 1028 CG ASP A 67 0.661 10.619 -5.870 1.00 0.00 C ATOM 1029 OD1 ASP A 67 0.227 10.077 -4.829 1.00 0.00 O ATOM 1030 OD2 ASP A 67 1.691 11.321 -5.888 1.00 0.00 O ATOM 0 H ASP A 67 -1.740 9.714 -8.829 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.971 10.410 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.019 9.354 -7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.374 10.986 -7.954 1.00 0.00 H new ATOM 1035 N ALA A 68 -1.616 12.916 -8.205 1.00 0.00 N ATOM 1036 CA ALA A 68 -1.718 14.364 -8.320 1.00 0.00 C ATOM 1037 C ALA A 68 -3.122 14.851 -7.967 1.00 0.00 C ATOM 1038 O ALA A 68 -3.304 15.966 -7.474 1.00 0.00 O ATOM 1039 CB ALA A 68 -1.340 14.794 -9.725 1.00 0.00 C ATOM 0 H ALA A 68 -1.481 12.430 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.026 14.816 -7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.418 15.878 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.316 14.486 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.015 14.327 -10.442 1.00 0.00 H new ATOM 1045 N LEU A 69 -4.113 14.013 -8.229 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.498 14.363 -7.963 1.00 0.00 C ATOM 1047 C LEU A 69 -5.910 14.049 -6.529 1.00 0.00 C ATOM 1048 O LEU A 69 -6.460 14.907 -5.832 1.00 0.00 O ATOM 1049 CB LEU A 69 -6.427 13.636 -8.936 1.00 0.00 C ATOM 1050 CG LEU A 69 -6.575 14.298 -10.304 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -7.456 13.456 -11.216 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -7.156 15.693 -10.140 1.00 0.00 C ATOM 0 H LEU A 69 -3.982 13.083 -8.627 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.586 15.440 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.057 12.621 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.414 13.554 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.590 14.377 -10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.549 13.945 -12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.007 12.471 -11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.444 13.347 -10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.260 16.161 -11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.134 15.626 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.491 16.293 -9.519 1.00 0.00 H new ATOM 1064 N ARG A 70 -5.641 12.832 -6.085 1.00 0.00 N ATOM 1065 CA ARG A 70 -6.196 12.348 -4.837 1.00 0.00 C ATOM 1066 C ARG A 70 -5.333 12.750 -3.651 1.00 0.00 C ATOM 1067 O ARG A 70 -5.844 13.148 -2.605 1.00 0.00 O ATOM 1068 CB ARG A 70 -6.363 10.829 -4.888 1.00 0.00 C ATOM 1069 CG ARG A 70 -7.064 10.255 -3.671 1.00 0.00 C ATOM 1070 CD ARG A 70 -7.765 8.950 -4.002 1.00 0.00 C ATOM 1071 NE ARG A 70 -8.935 8.738 -3.154 1.00 0.00 N ATOM 1072 CZ ARG A 70 -10.184 8.682 -3.622 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -10.411 8.725 -4.932 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -11.201 8.570 -2.779 1.00 0.00 N ATOM 0 H ARG A 70 -5.043 12.164 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.175 12.808 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.928 10.564 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.381 10.367 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.338 10.088 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.790 10.975 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.070 8.955 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.069 8.121 -3.877 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.790 8.627 -2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.629 8.801 -5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.367 8.682 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.028 8.527 -1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.156 8.527 -3.135 1.00 0.00 H new ATOM 1088 N THR A 71 -4.030 12.645 -3.813 1.00 0.00 N ATOM 1089 CA THR A 71 -3.120 12.955 -2.736 1.00 0.00 C ATOM 1090 C THR A 71 -2.607 14.387 -2.836 1.00 0.00 C ATOM 1091 O THR A 71 -3.182 15.284 -2.221 1.00 0.00 O ATOM 1092 CB THR A 71 -1.960 11.952 -2.708 1.00 0.00 C ATOM 1093 OG1 THR A 71 -1.997 11.147 -3.895 1.00 0.00 O ATOM 1094 CG2 THR A 71 -2.082 11.060 -1.494 1.00 0.00 C ATOM 0 H THR A 71 -3.581 12.348 -4.679 1.00 0.00 H new ATOM 0 HA THR A 71 -3.667 12.871 -1.797 1.00 0.00 H new ATOM 0 HB THR A 71 -1.016 12.496 -2.662 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.162 10.640 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.255 10.350 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.053 11.669 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.026 10.517 -1.535 1.00 0.00 H new ATOM 1102 N ARG A 72 -1.567 14.589 -3.651 1.00 0.00 N ATOM 1103 CA ARG A 72 -0.929 15.893 -3.847 1.00 0.00 C ATOM 1104 C ARG A 72 -0.452 16.525 -2.533 1.00 0.00 C ATOM 1105 O ARG A 72 0.742 16.540 -2.234 1.00 0.00 O ATOM 1106 CB ARG A 72 -1.888 16.831 -4.559 1.00 0.00 C ATOM 1107 CG ARG A 72 -1.236 18.103 -5.054 1.00 0.00 C ATOM 1108 CD ARG A 72 -2.283 19.100 -5.495 1.00 0.00 C ATOM 1109 NE ARG A 72 -2.969 19.706 -4.355 1.00 0.00 N ATOM 1110 CZ ARG A 72 -4.176 20.265 -4.418 1.00 0.00 C ATOM 1111 NH1 ARG A 72 -4.852 20.267 -5.559 1.00 0.00 N ATOM 1112 NH2 ARG A 72 -4.706 20.812 -3.334 1.00 0.00 N ATOM 0 H ARG A 72 -1.140 13.842 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.042 15.729 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.333 16.308 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.701 17.090 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.624 18.536 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.569 17.876 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.813 19.880 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.012 18.603 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.492 19.700 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.448 19.839 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.776 20.696 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.190 20.804 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.630 21.241 -3.379 1.00 0.00 H new ATOM 1126 N GLY A 73 -1.392 17.052 -1.763 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.064 17.698 -0.512 1.00 0.00 C ATOM 1128 C GLY A 73 -0.924 16.698 0.610 1.00 0.00 C ATOM 1129 O GLY A 73 0.126 16.616 1.254 1.00 0.00 O ATOM 0 H GLY A 73 -2.387 17.042 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.133 18.255 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.840 18.421 -0.261 1.00 0.00 H new ATOM 1133 N GLY A 74 -1.978 15.928 0.850 1.00 0.00 N ATOM 1134 CA GLY A 74 -1.894 14.886 1.846 1.00 0.00 C ATOM 1135 C GLY A 74 -3.235 14.456 2.406 1.00 0.00 C ATOM 1136 O GLY A 74 -3.497 14.640 3.597 1.00 0.00 O ATOM 0 H GLY A 74 -2.878 16.007 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.400 14.019 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.264 15.231 2.666 1.00 0.00 H new ATOM 1140 N GLU A 75 -4.098 13.897 1.561 1.00 0.00 N ATOM 1141 CA GLU A 75 -5.270 13.191 2.069 1.00 0.00 C ATOM 1142 C GLU A 75 -4.798 11.854 2.625 1.00 0.00 C ATOM 1143 O GLU A 75 -5.382 11.290 3.554 1.00 0.00 O ATOM 1144 CB GLU A 75 -6.331 12.980 0.979 1.00 0.00 C ATOM 1145 CG GLU A 75 -7.640 12.425 1.528 1.00 0.00 C ATOM 1146 CD GLU A 75 -8.713 12.234 0.475 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -9.067 13.217 -0.207 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -9.233 11.103 0.352 1.00 0.00 O ATOM 0 H GLU A 75 -4.012 13.917 0.545 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.744 13.788 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.525 13.929 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.940 12.297 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.444 11.468 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.015 13.099 2.298 1.00 0.00 H new ATOM 1155 N TYR A 76 -3.710 11.368 2.034 1.00 0.00 N ATOM 1156 CA TYR A 76 -2.986 10.210 2.534 1.00 0.00 C ATOM 1157 C TYR A 76 -1.500 10.526 2.476 1.00 0.00 C ATOM 1158 O TYR A 76 -1.067 11.308 1.630 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.262 8.956 1.696 1.00 0.00 C ATOM 1160 CG TYR A 76 -4.677 8.854 1.180 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -5.728 8.515 2.022 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -4.957 9.106 -0.156 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -7.023 8.439 1.548 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -6.244 9.026 -0.639 1.00 0.00 C ATOM 1165 CZ TYR A 76 -7.275 8.696 0.210 1.00 0.00 C ATOM 1166 OH TYR A 76 -8.559 8.636 -0.283 1.00 0.00 O ATOM 0 H TYR A 76 -3.306 11.772 1.189 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.315 10.006 3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.577 8.941 0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.043 8.075 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.530 8.308 3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.153 9.369 -0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.833 8.181 2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.444 9.222 -1.682 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.973 9.522 -0.225 1.00 0.00 H new ATOM 1176 N ALA A 77 -0.726 9.940 3.367 1.00 0.00 N ATOM 1177 CA ALA A 77 0.713 10.133 3.345 1.00 0.00 C ATOM 1178 C ALA A 77 1.357 9.133 2.410 1.00 0.00 C ATOM 1179 O ALA A 77 1.246 7.924 2.611 1.00 0.00 O ATOM 1180 CB ALA A 77 1.307 9.998 4.736 1.00 0.00 C ATOM 0 H ALA A 77 -1.064 9.330 4.111 1.00 0.00 H new ATOM 0 HA ALA A 77 0.912 11.143 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.386 10.148 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.866 10.747 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.096 9.002 5.127 1.00 0.00 H new ATOM 1186 N ARG A 78 2.004 9.637 1.377 1.00 0.00 N ATOM 1187 CA ARG A 78 2.736 8.788 0.464 1.00 0.00 C ATOM 1188 C ARG A 78 4.022 8.317 1.116 1.00 0.00 C ATOM 1189 O ARG A 78 4.993 9.067 1.228 1.00 0.00 O ATOM 1190 CB ARG A 78 3.043 9.530 -0.827 1.00 0.00 C ATOM 1191 CG ARG A 78 1.822 9.784 -1.688 1.00 0.00 C ATOM 1192 CD ARG A 78 2.115 10.817 -2.754 1.00 0.00 C ATOM 1193 NE ARG A 78 2.288 12.152 -2.182 1.00 0.00 N ATOM 1194 CZ ARG A 78 2.427 13.262 -2.909 1.00 0.00 C ATOM 1195 NH1 ARG A 78 2.348 13.216 -4.233 1.00 0.00 N ATOM 1196 NH2 ARG A 78 2.611 14.430 -2.309 1.00 0.00 N ATOM 0 H ARG A 78 2.036 10.631 1.151 1.00 0.00 H new ATOM 0 HA ARG A 78 2.120 7.921 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.511 10.484 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.769 8.956 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.503 8.853 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.997 10.125 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.017 10.534 -3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.300 10.834 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 78 2.303 12.240 -1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.180 12.327 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.456 14.070 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.646 14.480 -1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.717 15.278 -2.866 1.00 0.00 H new ATOM 1210 N GLN A 79 4.006 7.082 1.563 1.00 0.00 N ATOM 1211 CA GLN A 79 5.152 6.489 2.213 1.00 0.00 C ATOM 1212 C GLN A 79 5.827 5.547 1.238 1.00 0.00 C ATOM 1213 O GLN A 79 5.372 4.426 1.027 1.00 0.00 O ATOM 1214 CB GLN A 79 4.711 5.724 3.466 1.00 0.00 C ATOM 1215 CG GLN A 79 5.864 5.227 4.324 1.00 0.00 C ATOM 1216 CD GLN A 79 5.400 4.545 5.598 1.00 0.00 C ATOM 1217 OE1 GLN A 79 4.227 3.929 5.559 1.00 0.00 O flip ATOM 1218 NE2 GLN A 79 6.090 4.574 6.615 1.00 0.00 N flip ATOM 0 H GLN A 79 3.200 6.462 1.486 1.00 0.00 H new ATOM 0 HA GLN A 79 5.850 7.270 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.075 6.371 4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.103 4.872 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.468 4.530 3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.508 6.068 4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.988 5.058 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.765 4.114 7.465 1.00 0.00 H new ATOM 1227 N LEU A 80 6.887 6.016 0.609 1.00 0.00 N ATOM 1228 CA LEU A 80 7.587 5.201 -0.359 1.00 0.00 C ATOM 1229 C LEU A 80 8.442 4.173 0.355 1.00 0.00 C ATOM 1230 O LEU A 80 9.411 4.517 1.033 1.00 0.00 O ATOM 1231 CB LEU A 80 8.454 6.050 -1.279 1.00 0.00 C ATOM 1232 CG LEU A 80 9.076 5.275 -2.438 1.00 0.00 C ATOM 1233 CD1 LEU A 80 7.995 4.794 -3.394 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.089 6.131 -3.172 1.00 0.00 C ATOM 0 H LEU A 80 7.278 6.948 0.750 1.00 0.00 H new ATOM 0 HA LEU A 80 6.843 4.694 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.850 6.863 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.251 6.506 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 80 9.593 4.406 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.454 4.243 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.303 4.142 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.453 5.652 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.520 5.560 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.597 7.020 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.880 6.430 -2.484 1.00 0.00 H new ATOM 1246 N ILE A 81 8.066 2.919 0.215 1.00 0.00 N ATOM 1247 CA ILE A 81 8.778 1.842 0.864 1.00 0.00 C ATOM 1248 C ILE A 81 9.578 1.054 -0.152 1.00 0.00 C ATOM 1249 O ILE A 81 9.122 0.808 -1.272 1.00 0.00 O ATOM 1250 CB ILE A 81 7.824 0.897 1.616 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.755 0.347 0.667 1.00 0.00 C ATOM 1252 CG2 ILE A 81 7.183 1.638 2.779 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.963 -0.807 1.239 1.00 0.00 C ATOM 0 H ILE A 81 7.267 2.621 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 81 9.453 2.291 1.593 1.00 0.00 H new ATOM 0 HB ILE A 81 8.392 0.053 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.068 1.151 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.235 0.023 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.508 0.967 3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.959 1.986 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.622 2.493 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.227 -1.141 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.638 -1.630 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.453 -0.484 2.146 1.00 0.00 H new ATOM 1265 N GLN A 82 10.785 0.692 0.226 1.00 0.00 N ATOM 1266 CA GLN A 82 11.643 -0.083 -0.646 1.00 0.00 C ATOM 1267 C GLN A 82 11.414 -1.552 -0.391 1.00 0.00 C ATOM 1268 O GLN A 82 11.693 -2.060 0.693 1.00 0.00 O ATOM 1269 CB GLN A 82 13.115 0.286 -0.450 1.00 0.00 C ATOM 1270 CG GLN A 82 13.443 1.777 -0.614 1.00 0.00 C ATOM 1271 CD GLN A 82 12.934 2.399 -1.912 1.00 0.00 C ATOM 1272 OE1 GLN A 82 11.654 2.241 -2.197 1.00 0.00 O flip ATOM 1273 NE2 GLN A 82 13.669 3.113 -2.594 1.00 0.00 N flip ATOM 0 H GLN A 82 11.195 0.922 1.131 1.00 0.00 H new ATOM 0 HA GLN A 82 11.392 0.145 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.422 -0.030 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.713 -0.282 -1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.018 2.324 0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.524 1.906 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.654 3.214 -2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.294 3.603 -3.406 1.00 0.00 H new ATOM 1282 N THR A 83 10.876 -2.219 -1.390 1.00 0.00 N ATOM 1283 CA THR A 83 10.462 -3.592 -1.243 1.00 0.00 C ATOM 1284 C THR A 83 11.483 -4.520 -1.888 1.00 0.00 C ATOM 1285 O THR A 83 12.348 -4.063 -2.638 1.00 0.00 O ATOM 1286 CB THR A 83 9.078 -3.797 -1.894 1.00 0.00 C ATOM 1287 OG1 THR A 83 9.177 -3.679 -3.321 1.00 0.00 O ATOM 1288 CG2 THR A 83 8.086 -2.764 -1.379 1.00 0.00 C ATOM 0 H THR A 83 10.716 -1.826 -2.318 1.00 0.00 H new ATOM 0 HA THR A 83 10.394 -3.828 -0.181 1.00 0.00 H new ATOM 0 HB THR A 83 8.727 -4.795 -1.633 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.293 -3.813 -3.722 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.116 -2.925 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.986 -2.863 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.445 -1.763 -1.620 1.00 0.00 H new ATOM 1296 N PRO A 84 11.403 -5.835 -1.613 1.00 0.00 N ATOM 1297 CA PRO A 84 12.239 -6.838 -2.287 1.00 0.00 C ATOM 1298 C PRO A 84 11.931 -6.923 -3.783 1.00 0.00 C ATOM 1299 O PRO A 84 12.510 -7.731 -4.508 1.00 0.00 O ATOM 1300 CB PRO A 84 11.869 -8.156 -1.594 1.00 0.00 C ATOM 1301 CG PRO A 84 11.209 -7.756 -0.318 1.00 0.00 C ATOM 1302 CD PRO A 84 10.529 -6.449 -0.602 1.00 0.00 C ATOM 0 HA PRO A 84 13.299 -6.595 -2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.199 -8.752 -2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.754 -8.764 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.490 -8.509 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.940 -7.651 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.516 -6.594 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.451 -5.832 0.293 1.00 0.00 H new ATOM 1310 N TYR A 85 11.004 -6.085 -4.226 1.00 0.00 N ATOM 1311 CA TYR A 85 10.613 -6.021 -5.621 1.00 0.00 C ATOM 1312 C TYR A 85 10.884 -4.621 -6.159 1.00 0.00 C ATOM 1313 O TYR A 85 10.352 -4.219 -7.192 1.00 0.00 O ATOM 1314 CB TYR A 85 9.131 -6.367 -5.760 1.00 0.00 C ATOM 1315 CG TYR A 85 8.744 -7.620 -5.006 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.985 -8.881 -5.537 1.00 0.00 C ATOM 1317 CD2 TYR A 85 8.152 -7.539 -3.755 1.00 0.00 C ATOM 1318 CE1 TYR A 85 8.642 -10.024 -4.841 1.00 0.00 C ATOM 1319 CE2 TYR A 85 7.809 -8.676 -3.053 1.00 0.00 C ATOM 1320 CZ TYR A 85 8.056 -9.915 -3.599 1.00 0.00 C ATOM 1321 OH TYR A 85 7.704 -11.049 -2.900 1.00 0.00 O ATOM 0 H TYR A 85 10.503 -5.431 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 85 11.194 -6.742 -6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.533 -5.531 -5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.891 -6.496 -6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.448 -8.969 -6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.956 -6.569 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.832 -10.998 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.349 -8.594 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 85 6.899 -10.870 -2.371 1.00 0.00 H new ATOM 1331 N GLY A 86 11.709 -3.878 -5.432 1.00 0.00 N ATOM 1332 CA GLY A 86 12.091 -2.555 -5.864 1.00 0.00 C ATOM 1333 C GLY A 86 11.610 -1.468 -4.929 1.00 0.00 C ATOM 1334 O GLY A 86 12.301 -1.103 -3.977 1.00 0.00 O ATOM 0 H GLY A 86 12.120 -4.174 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.177 -2.504 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.689 -2.374 -6.861 1.00 0.00 H new ATOM 1338 N SER A 87 10.397 -0.997 -5.157 1.00 0.00 N ATOM 1339 CA SER A 87 9.890 0.180 -4.474 1.00 0.00 C ATOM 1340 C SER A 87 8.403 0.315 -4.747 1.00 0.00 C ATOM 1341 O SER A 87 7.947 0.008 -5.842 1.00 0.00 O ATOM 1342 CB SER A 87 10.632 1.421 -4.990 1.00 0.00 C ATOM 1343 OG SER A 87 10.155 2.613 -4.391 1.00 0.00 O ATOM 0 H SER A 87 9.740 -1.416 -5.815 1.00 0.00 H new ATOM 0 HA SER A 87 10.050 0.085 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.698 1.316 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.517 1.488 -6.072 1.00 0.00 H new ATOM 0 HG SER A 87 10.664 2.795 -3.573 1.00 0.00 H new ATOM 1349 N ALA A 88 7.649 0.728 -3.741 1.00 0.00 N ATOM 1350 CA ALA A 88 6.203 0.854 -3.878 1.00 0.00 C ATOM 1351 C ALA A 88 5.667 1.996 -3.030 1.00 0.00 C ATOM 1352 O ALA A 88 6.207 2.293 -1.962 1.00 0.00 O ATOM 1353 CB ALA A 88 5.526 -0.450 -3.488 1.00 0.00 C ATOM 0 H ALA A 88 8.011 0.982 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 88 5.980 1.076 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.446 -0.345 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.878 -1.251 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.767 -0.690 -2.452 1.00 0.00 H new ATOM 1359 N TRP A 89 4.608 2.636 -3.511 1.00 0.00 N ATOM 1360 CA TRP A 89 3.959 3.703 -2.763 1.00 0.00 C ATOM 1361 C TRP A 89 2.979 3.126 -1.746 1.00 0.00 C ATOM 1362 O TRP A 89 2.044 2.407 -2.106 1.00 0.00 O ATOM 1363 CB TRP A 89 3.224 4.660 -3.704 1.00 0.00 C ATOM 1364 CG TRP A 89 4.130 5.447 -4.586 1.00 0.00 C ATOM 1365 CD1 TRP A 89 4.421 5.190 -5.889 1.00 0.00 C ATOM 1366 CD2 TRP A 89 4.854 6.630 -4.233 1.00 0.00 C ATOM 1367 NE1 TRP A 89 5.284 6.137 -6.368 1.00 0.00 N ATOM 1368 CE2 TRP A 89 5.567 7.030 -5.373 1.00 0.00 C ATOM 1369 CE3 TRP A 89 4.970 7.388 -3.065 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 6.386 8.155 -5.383 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 5.782 8.504 -3.073 1.00 0.00 C ATOM 1372 CH2 TRP A 89 6.482 8.879 -4.226 1.00 0.00 C ATOM 0 H TRP A 89 4.181 2.434 -4.415 1.00 0.00 H new ATOM 0 HA TRP A 89 4.733 4.259 -2.234 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.535 4.087 -4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.622 5.348 -3.110 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.029 4.362 -6.461 1.00 0.00 H new ATOM 0 HE1 TRP A 89 5.657 6.171 -7.317 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.433 7.105 -2.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.926 8.446 -6.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.879 9.097 -2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.110 9.757 -4.202 1.00 0.00 H new ATOM 1383 N MET A 90 3.219 3.423 -0.480 1.00 0.00 N ATOM 1384 CA MET A 90 2.331 3.009 0.597 1.00 0.00 C ATOM 1385 C MET A 90 1.525 4.214 1.084 1.00 0.00 C ATOM 1386 O MET A 90 2.098 5.201 1.539 1.00 0.00 O ATOM 1387 CB MET A 90 3.176 2.414 1.733 1.00 0.00 C ATOM 1388 CG MET A 90 2.399 1.621 2.767 1.00 0.00 C ATOM 1389 SD MET A 90 1.545 2.663 3.959 1.00 0.00 S ATOM 1390 CE MET A 90 0.983 1.425 5.121 1.00 0.00 C ATOM 0 H MET A 90 4.031 3.956 -0.169 1.00 0.00 H new ATOM 0 HA MET A 90 1.631 2.252 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.937 1.766 1.298 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.700 3.225 2.239 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.671 0.988 2.259 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.083 0.958 3.297 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.386 1.901 5.899 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.376 0.685 4.599 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.844 0.933 5.574 1.00 0.00 H new ATOM 1400 N TYR A 91 0.205 4.149 0.965 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.644 5.275 1.343 1.00 0.00 C ATOM 1402 C TYR A 91 -1.177 5.121 2.768 1.00 0.00 C ATOM 1403 O TYR A 91 -2.021 4.262 3.045 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.813 5.436 0.360 1.00 0.00 C ATOM 1405 CG TYR A 91 -1.419 5.978 -1.003 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -0.916 5.138 -1.993 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -1.563 7.331 -1.304 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -0.569 5.630 -3.238 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -1.215 7.827 -2.546 1.00 0.00 C ATOM 1410 CZ TYR A 91 -0.716 6.975 -3.507 1.00 0.00 C ATOM 1411 OH TYR A 91 -0.384 7.461 -4.749 1.00 0.00 O ATOM 0 H TYR A 91 -0.299 3.336 0.613 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.026 6.172 1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.295 4.468 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.554 6.102 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.795 4.085 -1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.953 8.003 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.185 4.964 -3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.334 8.878 -2.763 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.268 8.433 -4.700 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.675 5.958 3.670 1.00 0.00 N ATOM 1422 CA VAL A 92 -1.128 5.973 5.055 1.00 0.00 C ATOM 1423 C VAL A 92 -2.232 6.991 5.241 1.00 0.00 C ATOM 1424 O VAL A 92 -2.182 8.088 4.682 1.00 0.00 O ATOM 1425 CB VAL A 92 0.048 6.266 6.032 1.00 0.00 C ATOM 1426 CG1 VAL A 92 -0.422 6.954 7.310 1.00 0.00 C ATOM 1427 CG2 VAL A 92 0.757 4.975 6.394 1.00 0.00 C ATOM 0 H VAL A 92 0.053 6.641 3.463 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.520 4.983 5.288 1.00 0.00 H new ATOM 0 HB VAL A 92 0.732 6.941 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.433 7.138 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.897 7.902 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.138 6.314 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.578 5.190 7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.053 4.296 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.150 4.510 5.490 1.00 0.00 H new ATOM 1437 N TYR A 93 -3.235 6.601 6.016 1.00 0.00 N ATOM 1438 CA TYR A 93 -4.345 7.472 6.348 1.00 0.00 C ATOM 1439 C TYR A 93 -3.832 8.836 6.793 1.00 0.00 C ATOM 1440 O TYR A 93 -2.879 8.923 7.563 1.00 0.00 O ATOM 1441 CB TYR A 93 -5.177 6.842 7.469 1.00 0.00 C ATOM 1442 CG TYR A 93 -5.255 7.717 8.715 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -6.186 8.741 8.821 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -4.344 7.558 9.754 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -6.205 9.577 9.921 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -4.367 8.383 10.861 1.00 0.00 C ATOM 1447 CZ TYR A 93 -5.296 9.395 10.936 1.00 0.00 C ATOM 1448 OH TYR A 93 -5.309 10.238 12.023 1.00 0.00 O ATOM 0 H TYR A 93 -3.298 5.671 6.430 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.968 7.602 5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.185 6.651 7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.746 5.877 7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.907 8.887 8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.604 6.774 9.694 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.933 10.372 9.983 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.660 8.235 11.664 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.604 9.974 12.651 1.00 0.00 H new ATOM 1458 N GLN A 94 -4.458 9.892 6.312 1.00 0.00 N ATOM 1459 CA GLN A 94 -4.067 11.228 6.712 1.00 0.00 C ATOM 1460 C GLN A 94 -5.295 12.106 6.955 1.00 0.00 C ATOM 1461 O GLN A 94 -5.194 13.330 6.976 1.00 0.00 O ATOM 1462 CB GLN A 94 -3.175 11.834 5.628 1.00 0.00 C ATOM 1463 CG GLN A 94 -2.004 12.639 6.163 1.00 0.00 C ATOM 1464 CD GLN A 94 -1.038 11.799 6.983 1.00 0.00 C ATOM 1465 OE1 GLN A 94 -0.950 10.512 6.677 1.00 0.00 O flip ATOM 1466 NE2 GLN A 94 -0.378 12.304 7.888 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.233 9.852 5.650 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.512 11.173 7.648 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.792 11.031 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.782 12.477 4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.468 13.090 5.328 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.381 13.456 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.473 13.298 8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.264 11.729 8.433 1.00 0.00 H new ATOM 1475 N ARG A 95 -6.460 11.487 7.159 1.00 0.00 N ATOM 1476 CA ARG A 95 -7.681 12.260 7.376 1.00 0.00 C ATOM 1477 C ARG A 95 -8.360 11.961 8.736 1.00 0.00 C ATOM 1478 O ARG A 95 -8.160 12.720 9.680 1.00 0.00 O ATOM 1479 CB ARG A 95 -8.672 12.094 6.208 1.00 0.00 C ATOM 1480 CG ARG A 95 -8.261 12.777 4.912 1.00 0.00 C ATOM 1481 CD ARG A 95 -8.269 14.291 5.028 1.00 0.00 C ATOM 1482 NE ARG A 95 -7.003 14.825 5.521 1.00 0.00 N ATOM 1483 CZ ARG A 95 -6.526 16.022 5.182 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -7.223 16.820 4.378 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -5.356 16.429 5.654 1.00 0.00 N ATOM 0 H ARG A 95 -6.582 10.474 7.178 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.371 13.304 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.806 11.030 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.641 12.486 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.263 12.442 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.938 12.473 4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.486 14.725 4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.073 14.596 5.698 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.454 14.250 6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.128 16.517 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.853 17.735 4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.820 15.826 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.992 17.346 5.394 1.00 0.00 H new ATOM 1499 N PRO A 96 -9.145 10.860 8.894 1.00 0.00 N ATOM 1500 CA PRO A 96 -10.085 10.723 10.003 1.00 0.00 C ATOM 1501 C PRO A 96 -9.611 9.883 11.190 1.00 0.00 C ATOM 1502 O PRO A 96 -9.056 10.398 12.157 1.00 0.00 O ATOM 1503 CB PRO A 96 -11.274 10.040 9.308 1.00 0.00 C ATOM 1504 CG PRO A 96 -10.707 9.373 8.077 1.00 0.00 C ATOM 1505 CD PRO A 96 -9.226 9.665 8.054 1.00 0.00 C ATOM 0 HA PRO A 96 -10.278 11.689 10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.744 9.310 9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.040 10.767 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.887 8.298 8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.188 9.754 7.176 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.640 8.840 8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.861 9.850 7.044 1.00 0.00 H new ATOM 1513 N VAL A 97 -9.855 8.593 11.053 1.00 0.00 N ATOM 1514 CA VAL A 97 -9.741 7.571 12.111 1.00 0.00 C ATOM 1515 C VAL A 97 -10.556 7.925 13.357 1.00 0.00 C ATOM 1516 O VAL A 97 -10.044 8.382 14.380 1.00 0.00 O ATOM 1517 CB VAL A 97 -8.292 7.124 12.476 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -7.586 6.582 11.247 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -7.458 8.213 13.131 1.00 0.00 C ATOM 0 H VAL A 97 -10.154 8.196 10.162 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.184 6.687 11.652 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.395 6.337 13.223 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.575 6.273 11.514 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.137 5.725 10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.538 7.358 10.483 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.464 7.825 13.355 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.372 9.063 12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.939 8.533 14.055 1.00 0.00 H new ATOM 1529 N ASP A 98 -11.854 7.706 13.217 1.00 0.00 N ATOM 1530 CA ASP A 98 -12.824 7.858 14.289 1.00 0.00 C ATOM 1531 C ASP A 98 -14.187 7.480 13.741 1.00 0.00 C ATOM 1532 O ASP A 98 -14.708 8.136 12.838 1.00 0.00 O ATOM 1533 CB ASP A 98 -12.856 9.285 14.832 1.00 0.00 C ATOM 1534 CG ASP A 98 -13.802 9.425 16.006 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -13.714 8.610 16.948 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -14.644 10.349 15.991 1.00 0.00 O ATOM 0 H ASP A 98 -12.271 7.411 12.334 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.542 7.210 15.119 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.852 9.579 15.139 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.160 9.968 14.039 1.00 0.00 H new ATOM 1541 N GLY A 99 -14.735 6.397 14.257 1.00 0.00 N ATOM 1542 CA GLY A 99 -15.917 5.815 13.663 1.00 0.00 C ATOM 1543 C GLY A 99 -15.535 4.792 12.615 1.00 0.00 C ATOM 1544 O GLY A 99 -16.327 4.451 11.735 1.00 0.00 O ATOM 0 H GLY A 99 -14.382 5.908 15.079 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.525 5.344 14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.527 6.597 13.211 1.00 0.00 H new ATOM 1548 N LEU A 100 -14.298 4.314 12.713 1.00 0.00 N ATOM 1549 CA LEU A 100 -13.761 3.336 11.779 1.00 0.00 C ATOM 1550 C LEU A 100 -13.375 2.075 12.531 1.00 0.00 C ATOM 1551 O LEU A 100 -13.278 2.087 13.758 1.00 0.00 O ATOM 1552 CB LEU A 100 -12.529 3.893 11.059 1.00 0.00 C ATOM 1553 CG LEU A 100 -12.734 5.215 10.318 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -11.461 5.621 9.591 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -13.888 5.103 9.339 1.00 0.00 C ATOM 0 H LEU A 100 -13.642 4.595 13.442 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.527 3.108 11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.733 4.028 11.792 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.181 3.147 10.344 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.975 5.985 11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.625 6.564 9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.653 5.741 10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.192 4.849 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -14.019 6.053 8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.674 4.320 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.801 4.856 9.880 1.00 0.00 H new ATOM 1567 N LYS A 101 -13.147 0.991 11.808 1.00 0.00 N ATOM 1568 CA LYS A 101 -12.726 -0.248 12.440 1.00 0.00 C ATOM 1569 C LYS A 101 -11.267 -0.538 12.124 1.00 0.00 C ATOM 1570 O LYS A 101 -10.839 -0.448 10.975 1.00 0.00 O ATOM 1571 CB LYS A 101 -13.623 -1.412 12.017 1.00 0.00 C ATOM 1572 CG LYS A 101 -15.052 -1.258 12.512 1.00 0.00 C ATOM 1573 CD LYS A 101 -15.865 -2.523 12.319 1.00 0.00 C ATOM 1574 CE LYS A 101 -17.242 -2.376 12.945 1.00 0.00 C ATOM 1575 NZ LYS A 101 -18.014 -3.642 12.908 1.00 0.00 N ATOM 0 H LYS A 101 -13.245 0.943 10.794 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.824 -0.131 13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -13.625 -1.488 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.208 -2.344 12.401 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.042 -0.993 13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.532 -0.435 11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.965 -2.739 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.344 -3.368 12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.136 -2.048 13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.797 -1.599 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.946 -3.493 13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.139 -3.943 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.499 -4.378 13.432 1.00 0.00 H new ATOM 1589 N LEU A 102 -10.506 -0.869 13.157 1.00 0.00 N ATOM 1590 CA LEU A 102 -9.075 -1.094 13.022 1.00 0.00 C ATOM 1591 C LEU A 102 -8.753 -2.581 13.015 1.00 0.00 C ATOM 1592 O LEU A 102 -9.156 -3.320 13.914 1.00 0.00 O ATOM 1593 CB LEU A 102 -8.328 -0.403 14.169 1.00 0.00 C ATOM 1594 CG LEU A 102 -6.822 -0.683 14.243 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -6.125 -0.248 12.962 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -6.209 0.019 15.443 1.00 0.00 C ATOM 0 H LEU A 102 -10.860 -0.988 14.106 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.751 -0.671 12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.475 0.673 14.078 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.783 -0.709 15.111 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.683 -1.758 14.359 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.058 -0.457 13.039 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.542 -0.796 12.117 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.275 0.821 12.811 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.140 -0.191 15.480 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.365 1.094 15.355 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.681 -0.342 16.356 1.00 0.00 H new ATOM 1608 N ILE A 103 -8.028 -3.008 11.995 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.546 -4.372 11.912 1.00 0.00 C ATOM 1610 C ILE A 103 -6.177 -4.457 12.576 1.00 0.00 C ATOM 1611 O ILE A 103 -5.159 -4.066 11.996 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.459 -4.856 10.450 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -8.779 -4.577 9.724 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.141 -6.343 10.413 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -8.739 -4.891 8.245 1.00 0.00 C ATOM 0 H ILE A 103 -7.759 -2.420 11.206 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.253 -5.021 12.429 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.661 -4.313 9.944 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.570 -5.164 10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.041 -3.527 9.856 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.081 -6.677 9.377 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.187 -6.523 10.908 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -7.927 -6.896 10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.709 -4.668 7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.971 -4.284 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.509 -5.947 8.103 1.00 0.00 H new ATOM 1627 N GLU A 104 -6.191 -4.940 13.810 1.00 0.00 N ATOM 1628 CA GLU A 104 -5.028 -4.979 14.702 1.00 0.00 C ATOM 1629 C GLU A 104 -3.918 -5.939 14.244 1.00 0.00 C ATOM 1630 O GLU A 104 -3.103 -6.370 15.060 1.00 0.00 O ATOM 1631 CB GLU A 104 -5.497 -5.376 16.099 1.00 0.00 C ATOM 1632 CG GLU A 104 -6.624 -4.503 16.628 1.00 0.00 C ATOM 1633 CD GLU A 104 -7.306 -5.111 17.831 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -7.887 -6.209 17.693 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -7.258 -4.507 18.923 1.00 0.00 O ATOM 0 H GLU A 104 -7.033 -5.328 14.236 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.588 -3.982 14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.829 -6.414 16.081 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.653 -5.323 16.786 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.227 -3.524 16.895 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.359 -4.345 15.839 1.00 0.00 H new ATOM 1642 N SER A 105 -3.851 -6.242 12.955 1.00 0.00 N ATOM 1643 CA SER A 105 -2.892 -7.226 12.448 1.00 0.00 C ATOM 1644 C SER A 105 -2.720 -7.127 10.932 1.00 0.00 C ATOM 1645 O SER A 105 -1.752 -7.645 10.391 1.00 0.00 O ATOM 1646 CB SER A 105 -3.320 -8.652 12.824 1.00 0.00 C ATOM 1647 OG SER A 105 -3.227 -8.878 14.223 1.00 0.00 O ATOM 0 H SER A 105 -4.446 -5.824 12.239 1.00 0.00 H new ATOM 0 HA SER A 105 -1.933 -7.002 12.916 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.345 -8.823 12.495 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.693 -9.371 12.297 1.00 0.00 H new ATOM 0 HG SER A 105 -2.842 -8.088 14.657 1.00 0.00 H new ATOM 1653 N GLY A 106 -3.651 -6.475 10.248 1.00 0.00 N ATOM 1654 CA GLY A 106 -3.420 -6.117 8.862 1.00 0.00 C ATOM 1655 C GLY A 106 -3.905 -7.147 7.858 1.00 0.00 C ATOM 1656 O GLY A 106 -3.429 -7.174 6.721 1.00 0.00 O ATOM 0 H GLY A 106 -4.555 -6.189 10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.915 -5.168 8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.352 -5.958 8.714 1.00 0.00 H new ATOM 1660 N ASP A 107 -4.835 -8.004 8.254 1.00 0.00 N ATOM 1661 CA ASP A 107 -5.450 -8.915 7.296 1.00 0.00 C ATOM 1662 C ASP A 107 -6.742 -8.305 6.782 1.00 0.00 C ATOM 1663 O ASP A 107 -7.579 -7.863 7.567 1.00 0.00 O ATOM 1664 CB ASP A 107 -5.731 -10.288 7.907 1.00 0.00 C ATOM 1665 CG ASP A 107 -6.026 -11.332 6.844 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -7.051 -11.210 6.141 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -5.213 -12.264 6.689 1.00 0.00 O ATOM 0 H ASP A 107 -5.176 -8.089 9.212 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.749 -9.062 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -4.872 -10.605 8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.578 -10.215 8.589 1.00 0.00 H new ATOM 1672 N TRP A 108 -6.895 -8.279 5.467 1.00 0.00 N ATOM 1673 CA TRP A 108 -8.047 -7.644 4.838 1.00 0.00 C ATOM 1674 C TRP A 108 -9.331 -8.424 5.098 1.00 0.00 C ATOM 1675 O TRP A 108 -10.418 -7.849 5.166 1.00 0.00 O ATOM 1676 CB TRP A 108 -7.825 -7.529 3.325 1.00 0.00 C ATOM 1677 CG TRP A 108 -8.966 -6.883 2.599 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -9.753 -7.456 1.642 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -9.460 -5.550 2.781 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -10.693 -6.558 1.206 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -10.539 -5.382 1.893 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -9.094 -4.483 3.603 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -11.254 -4.190 1.809 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -9.804 -3.302 3.521 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -10.873 -3.163 2.628 1.00 0.00 C ATOM 0 H TRP A 108 -6.233 -8.692 4.810 1.00 0.00 H new ATOM 0 HA TRP A 108 -8.153 -6.651 5.276 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.917 -6.955 3.142 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -7.661 -8.525 2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -9.650 -8.469 1.281 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -11.394 -6.736 0.487 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -8.268 -4.580 4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.080 -4.080 1.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -9.530 -2.472 4.156 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.408 -2.226 2.585 1.00 0.00 H new ATOM 1696 N LEU A 109 -9.206 -9.728 5.256 1.00 0.00 N ATOM 1697 CA LEU A 109 -10.373 -10.589 5.247 1.00 0.00 C ATOM 1698 C LEU A 109 -10.516 -11.345 6.558 1.00 0.00 C ATOM 1699 O LEU A 109 -11.603 -11.375 7.142 1.00 0.00 O ATOM 1700 CB LEU A 109 -10.282 -11.565 4.070 1.00 0.00 C ATOM 1701 CG LEU A 109 -9.732 -10.954 2.776 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -8.242 -11.235 2.631 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -10.494 -11.460 1.567 1.00 0.00 C ATOM 0 H LEU A 109 -8.318 -10.211 5.391 1.00 0.00 H new ATOM 0 HA LEU A 109 -11.260 -9.966 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.648 -12.404 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.275 -11.969 3.872 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.870 -9.874 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.876 -10.791 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -7.706 -10.803 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.075 -12.312 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.083 -11.010 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.402 -12.544 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.546 -11.190 1.660 1.00 0.00 H new ATOM 1715 N ASP A 110 -9.412 -11.948 7.012 1.00 0.00 N ATOM 1716 CA ASP A 110 -9.375 -12.771 8.232 1.00 0.00 C ATOM 1717 C ASP A 110 -10.144 -14.080 8.051 1.00 0.00 C ATOM 1718 O ASP A 110 -9.621 -15.167 8.313 1.00 0.00 O ATOM 1719 CB ASP A 110 -9.923 -12.000 9.441 1.00 0.00 C ATOM 1720 CG ASP A 110 -9.942 -12.834 10.707 1.00 0.00 C ATOM 1721 OD1 ASP A 110 -8.927 -12.842 11.434 1.00 0.00 O ATOM 1722 OD2 ASP A 110 -10.969 -13.487 10.985 1.00 0.00 O ATOM 0 H ASP A 110 -8.510 -11.880 6.541 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.329 -13.013 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -9.315 -11.111 9.606 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.934 -11.658 9.221 1.00 0.00 H new ATOM 1727 N ARG A 111 -11.376 -13.968 7.592 1.00 0.00 N ATOM 1728 CA ARG A 111 -12.249 -15.111 7.425 1.00 0.00 C ATOM 1729 C ARG A 111 -12.156 -15.670 6.021 1.00 0.00 C ATOM 1730 O ARG A 111 -13.022 -15.456 5.175 1.00 0.00 O ATOM 1731 CB ARG A 111 -13.693 -14.758 7.752 1.00 0.00 C ATOM 1732 CG ARG A 111 -14.160 -13.442 7.144 1.00 0.00 C ATOM 1733 CD ARG A 111 -15.624 -13.158 7.448 1.00 0.00 C ATOM 1734 NE ARG A 111 -16.030 -11.839 6.957 1.00 0.00 N ATOM 1735 CZ ARG A 111 -17.123 -11.612 6.228 1.00 0.00 C ATOM 1736 NH1 ARG A 111 -17.947 -12.607 5.920 1.00 0.00 N ATOM 1737 NH2 ARG A 111 -17.407 -10.378 5.825 1.00 0.00 N ATOM 0 H ARG A 111 -11.799 -13.079 7.324 1.00 0.00 H new ATOM 0 HA ARG A 111 -11.915 -15.876 8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -14.341 -15.560 7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -13.808 -14.708 8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -13.546 -12.628 7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -14.013 -13.470 6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -16.247 -13.926 6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -15.790 -13.214 8.524 1.00 0.00 H new ATOM 0 HE ARG A 111 -15.437 -11.042 7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -17.746 -13.554 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -18.781 -12.424 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -16.789 -9.605 6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -18.243 -10.203 5.267 1.00 0.00 H new ATOM 1751 N ASP A 112 -11.072 -16.357 5.789 1.00 0.00 N ATOM 1752 CA ASP A 112 -10.864 -17.084 4.559 1.00 0.00 C ATOM 1753 C ASP A 112 -10.981 -18.566 4.886 1.00 0.00 C ATOM 1754 O ASP A 112 -11.913 -18.970 5.583 1.00 0.00 O ATOM 1755 CB ASP A 112 -9.484 -16.737 3.970 1.00 0.00 C ATOM 1756 CG ASP A 112 -9.300 -17.192 2.531 1.00 0.00 C ATOM 1757 OD1 ASP A 112 -9.635 -16.421 1.607 1.00 0.00 O ATOM 1758 OD2 ASP A 112 -8.798 -18.316 2.320 1.00 0.00 O ATOM 0 H ASP A 112 -10.300 -16.431 6.451 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.606 -16.815 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.338 -15.658 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -8.710 -17.193 4.587 1.00 0.00 H new ATOM 1763 N LYS A 113 -10.019 -19.355 4.433 1.00 0.00 N ATOM 1764 CA LYS A 113 -10.016 -20.804 4.649 1.00 0.00 C ATOM 1765 C LYS A 113 -11.368 -21.408 4.290 1.00 0.00 C ATOM 1766 O LYS A 113 -11.905 -22.266 4.994 1.00 0.00 O ATOM 1767 CB LYS A 113 -9.647 -21.131 6.085 1.00 0.00 C ATOM 1768 CG LYS A 113 -8.222 -20.732 6.446 1.00 0.00 C ATOM 1769 CD LYS A 113 -7.842 -21.162 7.855 1.00 0.00 C ATOM 1770 CE LYS A 113 -7.796 -22.677 7.995 1.00 0.00 C ATOM 1771 NZ LYS A 113 -6.787 -23.299 7.095 1.00 0.00 N ATOM 0 H LYS A 113 -9.216 -19.014 3.905 1.00 0.00 H new ATOM 0 HA LYS A 113 -9.264 -21.243 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.340 -20.623 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.770 -22.201 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.530 -21.180 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.116 -19.651 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.868 -20.744 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.561 -20.754 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.567 -22.937 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.780 -23.090 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.622 -24.284 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.138 -23.282 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.895 -22.767 7.153 1.00 0.00 H new TER 1785 LYS A 113