USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 Single : A 19 SER OG : rot -103:sc= 1.44 USER MOD Single : A 23 GLN : amide:sc= -4.49! C(o=-4.5!,f=-5.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.285 K(o=-0.29,f=-3.5!) USER MOD Single : A 31 CYS SG : rot -35:sc= 0.0321 USER MOD Single : A 34 ASN : amide:sc= -2.03! C(o=-2!,f=-2!) USER MOD Single : A 36 ASN : amide:sc= -9.23! C(o=-9.2!,f=-21!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= -1.31 (180deg=-1.96) USER MOD Single : A 47 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-9.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= 0.418 (180deg=0.266) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.379 K(o=-0.38,f=-3.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= -0.791 (180deg=-0.812) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 141:sc= -0.193 (180deg=-1.58!) USER MOD Single : A 84 MET CE :methyl -169:sc= 0 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -5.197 -10.900 -6.749 1.00 0.00 N ATOM 2 CA GLU A 16 -6.150 -11.444 -5.740 1.00 0.00 C ATOM 3 C GLU A 16 -6.164 -10.558 -4.491 1.00 0.00 C ATOM 4 O GLU A 16 -5.584 -10.889 -3.476 1.00 0.00 O ATOM 5 CB GLU A 16 -5.620 -12.838 -5.403 1.00 0.00 C ATOM 6 CG GLU A 16 -6.080 -13.833 -6.468 1.00 0.00 C ATOM 7 CD GLU A 16 -4.860 -14.512 -7.091 1.00 0.00 C ATOM 8 OE1 GLU A 16 -3.961 -14.867 -6.346 1.00 0.00 O ATOM 9 OE2 GLU A 16 -4.843 -14.663 -8.301 1.00 0.00 O ATOM 0 HA GLU A 16 -7.173 -11.477 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.531 -12.822 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.980 -13.148 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.738 -14.580 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.656 -13.319 -7.237 1.00 0.00 H new ATOM 16 N GLU A 17 -6.824 -9.435 -4.555 1.00 0.00 N ATOM 17 CA GLU A 17 -6.874 -8.531 -3.371 1.00 0.00 C ATOM 18 C GLU A 17 -8.299 -8.016 -3.162 1.00 0.00 C ATOM 19 O GLU A 17 -9.245 -8.539 -3.717 1.00 0.00 O ATOM 20 CB GLU A 17 -5.932 -7.378 -3.712 1.00 0.00 C ATOM 21 CG GLU A 17 -6.522 -6.557 -4.861 1.00 0.00 C ATOM 22 CD GLU A 17 -5.694 -5.286 -5.058 1.00 0.00 C ATOM 23 OE1 GLU A 17 -5.999 -4.297 -4.412 1.00 0.00 O ATOM 24 OE2 GLU A 17 -4.768 -5.323 -5.851 1.00 0.00 O ATOM 0 H GLU A 17 -7.331 -9.104 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.580 -9.037 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.784 -6.745 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.953 -7.766 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.527 -7.146 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.558 -6.299 -4.643 1.00 0.00 H new ATOM 31 N GLU A 18 -8.463 -6.995 -2.367 1.00 0.00 N ATOM 32 CA GLU A 18 -9.831 -6.450 -2.128 1.00 0.00 C ATOM 33 C GLU A 18 -10.187 -5.417 -3.201 1.00 0.00 C ATOM 34 O GLU A 18 -9.414 -5.149 -4.100 1.00 0.00 O ATOM 35 CB GLU A 18 -9.763 -5.795 -0.748 1.00 0.00 C ATOM 36 CG GLU A 18 -9.714 -6.880 0.330 1.00 0.00 C ATOM 37 CD GLU A 18 -11.091 -7.016 0.982 1.00 0.00 C ATOM 38 OE1 GLU A 18 -11.367 -6.260 1.899 1.00 0.00 O ATOM 39 OE2 GLU A 18 -11.847 -7.872 0.552 1.00 0.00 O ATOM 0 H GLU A 18 -7.711 -6.515 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.597 -7.225 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.881 -5.159 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.631 -5.154 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.413 -7.831 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.967 -6.626 1.082 1.00 0.00 H new ATOM 46 N SER A 19 -11.352 -4.834 -3.117 1.00 0.00 N ATOM 47 CA SER A 19 -11.755 -3.823 -4.136 1.00 0.00 C ATOM 48 C SER A 19 -12.401 -2.609 -3.461 1.00 0.00 C ATOM 49 O SER A 19 -12.491 -2.533 -2.252 1.00 0.00 O ATOM 50 CB SER A 19 -12.767 -4.542 -5.027 1.00 0.00 C ATOM 51 OG SER A 19 -13.210 -3.657 -6.046 1.00 0.00 O ATOM 0 H SER A 19 -12.042 -5.014 -2.387 1.00 0.00 H new ATOM 0 HA SER A 19 -10.902 -3.450 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.313 -5.428 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.614 -4.883 -4.432 1.00 0.00 H new ATOM 0 HG SER A 19 -14.102 -3.319 -5.821 1.00 0.00 H new ATOM 57 N PHE A 20 -12.855 -1.662 -4.237 1.00 0.00 N ATOM 58 CA PHE A 20 -13.500 -0.452 -3.646 1.00 0.00 C ATOM 59 C PHE A 20 -12.498 0.312 -2.777 1.00 0.00 C ATOM 60 O PHE A 20 -11.614 -0.267 -2.177 1.00 0.00 O ATOM 61 CB PHE A 20 -14.648 -0.991 -2.789 1.00 0.00 C ATOM 62 CG PHE A 20 -15.387 -2.069 -3.547 1.00 0.00 C ATOM 63 CD1 PHE A 20 -15.602 -1.935 -4.924 1.00 0.00 C ATOM 64 CD2 PHE A 20 -15.857 -3.201 -2.872 1.00 0.00 C ATOM 65 CE1 PHE A 20 -16.286 -2.935 -5.626 1.00 0.00 C ATOM 66 CE2 PHE A 20 -16.541 -4.201 -3.574 1.00 0.00 C ATOM 67 CZ PHE A 20 -16.755 -4.067 -4.951 1.00 0.00 C ATOM 0 H PHE A 20 -12.807 -1.673 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.852 0.241 -4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.259 -1.393 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.331 -0.182 -2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -15.240 -1.061 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.692 -3.303 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -16.451 -2.832 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -16.903 -5.075 -3.053 1.00 0.00 H new ATOM 0 HZ PHE A 20 -17.283 -4.838 -5.493 1.00 0.00 H new ATOM 77 N GLY A 21 -12.628 1.610 -2.702 1.00 0.00 N ATOM 78 CA GLY A 21 -11.684 2.404 -1.871 1.00 0.00 C ATOM 79 C GLY A 21 -10.778 3.239 -2.780 1.00 0.00 C ATOM 80 O GLY A 21 -10.204 2.729 -3.721 1.00 0.00 O ATOM 0 H GLY A 21 -13.347 2.152 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.238 3.055 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.082 1.740 -1.251 1.00 0.00 H new ATOM 84 N PRO A 22 -10.676 4.501 -2.461 1.00 0.00 N ATOM 85 CA PRO A 22 -9.824 5.420 -3.253 1.00 0.00 C ATOM 86 C PRO A 22 -8.339 5.095 -3.042 1.00 0.00 C ATOM 87 O PRO A 22 -7.486 5.503 -3.805 1.00 0.00 O ATOM 88 CB PRO A 22 -10.192 6.803 -2.718 1.00 0.00 C ATOM 89 CG PRO A 22 -10.737 6.561 -1.343 1.00 0.00 C ATOM 90 CD PRO A 22 -11.335 5.180 -1.341 1.00 0.00 C ATOM 0 HA PRO A 22 -9.984 5.343 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -9.321 7.457 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -10.932 7.287 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.947 6.640 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -11.490 7.307 -1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.148 4.666 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.416 5.214 -1.476 1.00 0.00 H new ATOM 98 N GLN A 23 -8.035 4.340 -2.023 1.00 0.00 N ATOM 99 CA GLN A 23 -6.615 3.949 -1.762 1.00 0.00 C ATOM 100 C GLN A 23 -5.697 5.151 -1.534 1.00 0.00 C ATOM 101 O GLN A 23 -4.541 5.100 -1.890 1.00 0.00 O ATOM 102 CB GLN A 23 -6.192 3.177 -3.012 1.00 0.00 C ATOM 103 CG GLN A 23 -5.885 1.726 -2.634 1.00 0.00 C ATOM 104 CD GLN A 23 -7.137 0.871 -2.837 1.00 0.00 C ATOM 105 OE1 GLN A 23 -7.143 -0.035 -3.648 1.00 0.00 O ATOM 106 NE2 GLN A 23 -8.205 1.118 -2.130 1.00 0.00 N ATOM 0 H GLN A 23 -8.712 3.973 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.536 3.361 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.985 3.210 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.313 3.641 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.068 1.345 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.558 1.671 -1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.202 1.878 -1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.044 0.552 -2.258 1.00 0.00 H new ATOM 115 N PRO A 24 -6.203 6.174 -0.898 1.00 0.00 N ATOM 116 CA PRO A 24 -5.352 7.349 -0.591 1.00 0.00 C ATOM 117 C PRO A 24 -4.293 6.920 0.425 1.00 0.00 C ATOM 118 O PRO A 24 -4.227 7.420 1.530 1.00 0.00 O ATOM 119 CB PRO A 24 -6.333 8.358 0.003 1.00 0.00 C ATOM 120 CG PRO A 24 -7.459 7.526 0.522 1.00 0.00 C ATOM 121 CD PRO A 24 -7.570 6.346 -0.405 1.00 0.00 C ATOM 0 HA PRO A 24 -4.822 7.766 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.870 8.940 0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.678 9.067 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.264 7.201 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.388 8.096 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.924 5.457 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.270 6.538 -1.218 1.00 0.00 H new ATOM 129 N ILE A 25 -3.482 5.969 0.050 1.00 0.00 N ATOM 130 CA ILE A 25 -2.436 5.453 0.964 1.00 0.00 C ATOM 131 C ILE A 25 -1.288 6.448 1.069 1.00 0.00 C ATOM 132 O ILE A 25 -0.422 6.334 1.915 1.00 0.00 O ATOM 133 CB ILE A 25 -1.968 4.155 0.305 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.094 4.498 -0.908 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.187 3.350 -0.157 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.815 3.238 -1.726 1.00 0.00 C ATOM 0 H ILE A 25 -3.504 5.524 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.803 5.295 1.978 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.394 3.564 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.595 5.241 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.155 4.941 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.855 2.424 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.815 3.116 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.759 3.937 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.194 3.492 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.295 2.509 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.757 2.813 -2.073 1.00 0.00 H new ATOM 148 N SER A 26 -1.277 7.418 0.207 1.00 0.00 N ATOM 149 CA SER A 26 -0.181 8.428 0.238 1.00 0.00 C ATOM 150 C SER A 26 0.132 8.826 1.682 1.00 0.00 C ATOM 151 O SER A 26 1.157 8.480 2.228 1.00 0.00 O ATOM 152 CB SER A 26 -0.718 9.628 -0.540 1.00 0.00 C ATOM 153 OG SER A 26 0.259 10.661 -0.542 1.00 0.00 O ATOM 0 H SER A 26 -1.978 7.559 -0.520 1.00 0.00 H new ATOM 0 HA SER A 26 0.742 8.043 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.957 9.336 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.642 9.986 -0.086 1.00 0.00 H new ATOM 0 HG SER A 26 -0.081 11.432 -1.042 1.00 0.00 H new ATOM 159 N ARG A 27 -0.748 9.555 2.300 1.00 0.00 N ATOM 160 CA ARG A 27 -0.505 9.992 3.706 1.00 0.00 C ATOM 161 C ARG A 27 -0.219 8.791 4.614 1.00 0.00 C ATOM 162 O ARG A 27 0.482 8.904 5.600 1.00 0.00 O ATOM 163 CB ARG A 27 -1.798 10.685 4.130 1.00 0.00 C ATOM 164 CG ARG A 27 -1.913 12.032 3.414 1.00 0.00 C ATOM 165 CD ARG A 27 -3.343 12.558 3.545 1.00 0.00 C ATOM 166 NE ARG A 27 -3.196 13.945 4.067 1.00 0.00 N ATOM 167 CZ ARG A 27 -4.255 14.657 4.349 1.00 0.00 C ATOM 168 NH1 ARG A 27 -5.450 14.161 4.164 1.00 0.00 N ATOM 169 NH2 ARG A 27 -4.118 15.868 4.816 1.00 0.00 N ATOM 0 H ARG A 27 -1.629 9.870 1.895 1.00 0.00 H new ATOM 0 HA ARG A 27 0.362 10.648 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.656 10.058 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.807 10.833 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.211 12.746 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.650 11.921 2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.856 12.550 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.930 11.940 4.225 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.266 14.340 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.559 13.215 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.274 14.720 4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.186 16.257 4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.943 16.426 5.037 1.00 0.00 H new ATOM 183 N LEU A 28 -0.759 7.646 4.304 1.00 0.00 N ATOM 184 CA LEU A 28 -0.521 6.456 5.172 1.00 0.00 C ATOM 185 C LEU A 28 0.934 5.982 5.071 1.00 0.00 C ATOM 186 O LEU A 28 1.707 6.132 5.997 1.00 0.00 O ATOM 187 CB LEU A 28 -1.469 5.373 4.643 1.00 0.00 C ATOM 188 CG LEU A 28 -2.812 5.425 5.387 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.576 5.490 6.899 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.599 6.661 4.941 1.00 0.00 C ATOM 0 H LEU A 28 -1.353 7.481 3.491 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.702 6.686 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.632 5.514 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.015 4.390 4.769 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.380 4.525 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.535 5.527 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.025 4.606 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.000 6.384 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.551 6.696 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.025 7.559 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.782 6.608 3.868 1.00 0.00 H new ATOM 202 N GLU A 29 1.310 5.393 3.969 1.00 0.00 N ATOM 203 CA GLU A 29 2.708 4.891 3.834 1.00 0.00 C ATOM 204 C GLU A 29 3.682 6.039 3.557 1.00 0.00 C ATOM 205 O GLU A 29 4.792 6.048 4.052 1.00 0.00 O ATOM 206 CB GLU A 29 2.665 3.911 2.653 1.00 0.00 C ATOM 207 CG GLU A 29 2.780 4.667 1.326 1.00 0.00 C ATOM 208 CD GLU A 29 2.843 3.660 0.176 1.00 0.00 C ATOM 209 OE1 GLU A 29 1.792 3.304 -0.330 1.00 0.00 O ATOM 210 OE2 GLU A 29 3.940 3.262 -0.178 1.00 0.00 O ATOM 0 H GLU A 29 0.712 5.238 3.158 1.00 0.00 H new ATOM 0 HA GLU A 29 3.058 4.414 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.479 3.191 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.734 3.344 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.925 5.331 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.673 5.293 1.326 1.00 0.00 H new ATOM 217 N GLN A 30 3.296 7.001 2.767 1.00 0.00 N ATOM 218 CA GLN A 30 4.238 8.116 2.479 1.00 0.00 C ATOM 219 C GLN A 30 4.584 8.851 3.772 1.00 0.00 C ATOM 220 O GLN A 30 5.685 9.336 3.944 1.00 0.00 O ATOM 221 CB GLN A 30 3.510 9.050 1.514 1.00 0.00 C ATOM 222 CG GLN A 30 4.536 9.791 0.652 1.00 0.00 C ATOM 223 CD GLN A 30 4.030 11.204 0.354 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.046 11.640 0.919 1.00 0.00 O ATOM 225 NE2 GLN A 30 4.664 11.941 -0.515 1.00 0.00 N ATOM 0 H GLN A 30 2.384 7.064 2.315 1.00 0.00 H new ATOM 0 HA GLN A 30 5.171 7.753 2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.831 8.479 0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.903 9.764 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.494 9.838 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.703 9.249 -0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.490 11.575 -0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.334 12.884 -0.721 1.00 0.00 H new ATOM 234 N CYS A 31 3.661 8.925 4.693 1.00 0.00 N ATOM 235 CA CYS A 31 3.961 9.617 5.975 1.00 0.00 C ATOM 236 C CYS A 31 4.783 8.683 6.860 1.00 0.00 C ATOM 237 O CYS A 31 5.343 9.087 7.860 1.00 0.00 O ATOM 238 CB CYS A 31 2.600 9.909 6.605 1.00 0.00 C ATOM 239 SG CYS A 31 2.817 11.007 8.026 1.00 0.00 S ATOM 0 H CYS A 31 2.720 8.539 4.613 1.00 0.00 H new ATOM 0 HA CYS A 31 4.535 10.534 5.840 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.940 10.372 5.872 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.126 8.979 6.919 1.00 0.00 H new ATOM 0 HG CYS A 31 3.932 10.720 8.630 1.00 0.00 H new ATOM 245 N GLY A 32 4.875 7.433 6.485 1.00 0.00 N ATOM 246 CA GLY A 32 5.677 6.473 7.284 1.00 0.00 C ATOM 247 C GLY A 32 4.778 5.398 7.900 1.00 0.00 C ATOM 248 O GLY A 32 4.684 5.283 9.107 1.00 0.00 O ATOM 0 H GLY A 32 4.427 7.040 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.430 6.005 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.210 7.004 8.073 1.00 0.00 H new ATOM 252 N ILE A 33 4.139 4.583 7.098 1.00 0.00 N ATOM 253 CA ILE A 33 3.294 3.511 7.680 1.00 0.00 C ATOM 254 C ILE A 33 4.215 2.359 8.083 1.00 0.00 C ATOM 255 O ILE A 33 5.244 2.565 8.696 1.00 0.00 O ATOM 256 CB ILE A 33 2.295 3.104 6.570 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.158 2.284 7.190 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.985 2.265 5.479 1.00 0.00 C ATOM 259 CD1 ILE A 33 0.020 3.216 7.611 1.00 0.00 C ATOM 0 H ILE A 33 4.168 4.617 6.079 1.00 0.00 H new ATOM 0 HA ILE A 33 2.742 3.820 8.568 1.00 0.00 H new ATOM 0 HB ILE A 33 1.904 4.012 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.793 1.550 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.525 1.730 8.054 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.258 1.994 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.789 2.846 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.398 1.359 5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.787 2.630 8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.389 3.933 8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.355 3.750 6.738 1.00 0.00 H new ATOM 271 N ASN A 34 3.876 1.165 7.734 1.00 0.00 N ATOM 272 CA ASN A 34 4.749 0.013 8.082 1.00 0.00 C ATOM 273 C ASN A 34 5.930 -0.046 7.108 1.00 0.00 C ATOM 274 O ASN A 34 6.336 0.953 6.549 1.00 0.00 O ATOM 275 CB ASN A 34 3.857 -1.221 7.930 1.00 0.00 C ATOM 276 CG ASN A 34 3.929 -2.061 9.206 1.00 0.00 C ATOM 277 OD1 ASN A 34 4.441 -3.162 9.197 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.430 -1.581 10.312 1.00 0.00 N ATOM 0 H ASN A 34 3.028 0.927 7.219 1.00 0.00 H new ATOM 0 HA ASN A 34 5.163 0.086 9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.828 -0.918 7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.179 -1.813 7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.470 -2.131 11.170 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.000 -0.656 10.318 1.00 0.00 H new ATOM 285 N ALA A 35 6.478 -1.208 6.896 1.00 0.00 N ATOM 286 CA ALA A 35 7.630 -1.336 5.954 1.00 0.00 C ATOM 287 C ALA A 35 7.284 -0.740 4.588 1.00 0.00 C ATOM 288 O ALA A 35 8.152 -0.506 3.769 1.00 0.00 O ATOM 289 CB ALA A 35 7.851 -2.841 5.816 1.00 0.00 C ATOM 0 H ALA A 35 6.179 -2.079 7.334 1.00 0.00 H new ATOM 0 HA ALA A 35 8.512 -0.809 6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.684 -3.026 5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.078 -3.267 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.949 -3.306 5.418 1.00 0.00 H new ATOM 295 N ASN A 36 6.028 -0.526 4.313 1.00 0.00 N ATOM 296 CA ASN A 36 5.654 0.014 2.977 1.00 0.00 C ATOM 297 C ASN A 36 6.468 1.244 2.622 1.00 0.00 C ATOM 298 O ASN A 36 7.286 1.206 1.726 1.00 0.00 O ATOM 299 CB ASN A 36 4.182 0.409 3.056 1.00 0.00 C ATOM 300 CG ASN A 36 3.350 -0.741 3.622 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.811 -1.490 4.458 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.129 -0.906 3.200 1.00 0.00 N ATOM 0 H ASN A 36 5.250 -0.700 4.950 1.00 0.00 H new ATOM 0 HA ASN A 36 5.843 -0.741 2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.069 1.292 3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.817 0.676 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.559 -1.666 3.572 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.743 -0.276 2.497 1.00 0.00 H new ATOM 309 N ASP A 37 6.218 2.341 3.291 1.00 0.00 N ATOM 310 CA ASP A 37 6.943 3.600 2.980 1.00 0.00 C ATOM 311 C ASP A 37 8.338 3.293 2.443 1.00 0.00 C ATOM 312 O ASP A 37 8.609 3.435 1.268 1.00 0.00 O ATOM 313 CB ASP A 37 7.032 4.350 4.312 1.00 0.00 C ATOM 314 CG ASP A 37 7.689 5.715 4.091 1.00 0.00 C ATOM 315 OD1 ASP A 37 8.755 5.749 3.499 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.116 6.702 4.521 1.00 0.00 O ATOM 0 H ASP A 37 5.535 2.414 4.045 1.00 0.00 H new ATOM 0 HA ASP A 37 6.434 4.187 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.036 4.479 4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.611 3.769 5.030 1.00 0.00 H new ATOM 321 N VAL A 38 9.208 2.855 3.296 1.00 0.00 N ATOM 322 CA VAL A 38 10.586 2.535 2.866 1.00 0.00 C ATOM 323 C VAL A 38 10.630 1.683 1.590 1.00 0.00 C ATOM 324 O VAL A 38 11.169 2.099 0.595 1.00 0.00 O ATOM 325 CB VAL A 38 11.188 1.761 4.039 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.602 1.303 3.679 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.248 2.668 5.270 1.00 0.00 C ATOM 0 H VAL A 38 9.020 2.703 4.287 1.00 0.00 H new ATOM 0 HA VAL A 38 11.135 3.445 2.622 1.00 0.00 H new ATOM 0 HB VAL A 38 10.568 0.891 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.030 0.751 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.563 0.658 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.222 2.173 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.677 2.117 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.868 3.537 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.242 2.996 5.529 1.00 0.00 H new ATOM 337 N LYS A 39 10.119 0.481 1.608 1.00 0.00 N ATOM 338 CA LYS A 39 10.239 -0.373 0.380 1.00 0.00 C ATOM 339 C LYS A 39 9.106 -0.182 -0.628 1.00 0.00 C ATOM 340 O LYS A 39 9.350 0.005 -1.809 1.00 0.00 O ATOM 341 CB LYS A 39 10.244 -1.808 0.901 1.00 0.00 C ATOM 342 CG LYS A 39 11.380 -1.978 1.911 1.00 0.00 C ATOM 343 CD LYS A 39 12.668 -1.361 1.360 1.00 0.00 C ATOM 344 CE LYS A 39 12.991 -1.970 -0.007 1.00 0.00 C ATOM 345 NZ LYS A 39 14.474 -1.893 -0.116 1.00 0.00 N ATOM 0 H LYS A 39 9.633 0.056 2.398 1.00 0.00 H new ATOM 0 HA LYS A 39 11.140 -0.102 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.288 -2.039 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.371 -2.506 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.113 -1.501 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.535 -3.036 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.555 -0.281 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.492 -1.538 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.642 -3.001 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.506 -1.417 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.776 -2.292 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.775 -0.899 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.908 -2.434 0.659 1.00 0.00 H new ATOM 359 N LYS A 40 7.878 -0.263 -0.200 1.00 0.00 N ATOM 360 CA LYS A 40 6.763 -0.126 -1.176 1.00 0.00 C ATOM 361 C LYS A 40 6.998 1.084 -2.079 1.00 0.00 C ATOM 362 O LYS A 40 7.088 0.960 -3.284 1.00 0.00 O ATOM 363 CB LYS A 40 5.494 0.065 -0.342 1.00 0.00 C ATOM 364 CG LYS A 40 4.591 -1.174 -0.475 1.00 0.00 C ATOM 365 CD LYS A 40 3.253 -0.923 0.227 1.00 0.00 C ATOM 366 CE LYS A 40 2.695 0.441 -0.185 1.00 0.00 C ATOM 367 NZ LYS A 40 1.242 0.202 -0.419 1.00 0.00 N ATOM 0 H LYS A 40 7.600 -0.416 0.769 1.00 0.00 H new ATOM 0 HA LYS A 40 6.685 -1.000 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.756 0.225 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.959 0.954 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.422 -1.400 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.084 -2.042 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.544 -1.709 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.387 -0.959 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.853 1.185 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.185 0.814 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.712 1.078 -0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.093 -0.095 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.905 -0.545 0.222 1.00 0.00 H new ATOM 381 N LEU A 41 7.079 2.255 -1.513 1.00 0.00 N ATOM 382 CA LEU A 41 7.266 3.471 -2.357 1.00 0.00 C ATOM 383 C LEU A 41 8.702 3.638 -2.878 1.00 0.00 C ATOM 384 O LEU A 41 8.933 4.432 -3.769 1.00 0.00 O ATOM 385 CB LEU A 41 6.878 4.644 -1.447 1.00 0.00 C ATOM 386 CG LEU A 41 8.110 5.169 -0.698 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.787 6.262 -1.525 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.680 5.747 0.650 1.00 0.00 C ATOM 0 H LEU A 41 7.024 2.424 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 41 6.655 3.407 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.438 5.444 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.119 4.323 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 41 8.810 4.349 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.662 6.633 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.096 5.852 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.087 7.081 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.555 6.120 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.978 6.565 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.199 4.969 1.243 1.00 0.00 H new ATOM 400 N GLU A 42 9.683 2.970 -2.331 1.00 0.00 N ATOM 401 CA GLU A 42 11.060 3.228 -2.843 1.00 0.00 C ATOM 402 C GLU A 42 11.321 2.643 -4.234 1.00 0.00 C ATOM 403 O GLU A 42 11.596 3.374 -5.163 1.00 0.00 O ATOM 404 CB GLU A 42 12.021 2.608 -1.837 1.00 0.00 C ATOM 405 CG GLU A 42 12.477 3.677 -0.839 1.00 0.00 C ATOM 406 CD GLU A 42 13.484 4.610 -1.514 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.897 4.303 -2.621 1.00 0.00 O ATOM 408 OE2 GLU A 42 13.826 5.615 -0.915 1.00 0.00 O ATOM 0 H GLU A 42 9.599 2.283 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 42 11.196 4.304 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.533 1.788 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.883 2.187 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.619 4.247 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.930 3.206 0.033 1.00 0.00 H new ATOM 415 N GLU A 43 11.287 1.348 -4.400 1.00 0.00 N ATOM 416 CA GLU A 43 11.593 0.802 -5.750 1.00 0.00 C ATOM 417 C GLU A 43 10.569 1.315 -6.769 1.00 0.00 C ATOM 418 O GLU A 43 10.809 1.305 -7.959 1.00 0.00 O ATOM 419 CB GLU A 43 11.559 -0.728 -5.578 1.00 0.00 C ATOM 420 CG GLU A 43 10.680 -1.395 -6.643 1.00 0.00 C ATOM 421 CD GLU A 43 11.286 -2.743 -7.046 1.00 0.00 C ATOM 422 OE1 GLU A 43 12.350 -3.066 -6.546 1.00 0.00 O ATOM 423 OE2 GLU A 43 10.675 -3.428 -7.849 1.00 0.00 O ATOM 0 H GLU A 43 11.066 0.661 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 43 12.563 1.118 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.572 -1.125 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.181 -0.975 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.671 -1.540 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.596 -0.748 -7.516 1.00 0.00 H new ATOM 430 N ALA A 44 9.434 1.754 -6.319 1.00 0.00 N ATOM 431 CA ALA A 44 8.409 2.254 -7.275 1.00 0.00 C ATOM 432 C ALA A 44 7.839 3.585 -6.795 1.00 0.00 C ATOM 433 O ALA A 44 8.001 4.606 -7.431 1.00 0.00 O ATOM 434 CB ALA A 44 7.329 1.180 -7.278 1.00 0.00 C ATOM 0 H ALA A 44 9.169 1.790 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 44 8.819 2.430 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.530 1.470 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.759 0.233 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.924 1.068 -6.272 1.00 0.00 H new ATOM 440 N GLY A 45 7.173 3.583 -5.677 1.00 0.00 N ATOM 441 CA GLY A 45 6.595 4.849 -5.161 1.00 0.00 C ATOM 442 C GLY A 45 5.070 4.749 -5.141 1.00 0.00 C ATOM 443 O GLY A 45 4.378 5.614 -5.642 1.00 0.00 O ATOM 0 H GLY A 45 7.005 2.759 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.969 5.048 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.906 5.684 -5.788 1.00 0.00 H new ATOM 447 N PHE A 46 4.536 3.709 -4.557 1.00 0.00 N ATOM 448 CA PHE A 46 3.031 3.590 -4.509 1.00 0.00 C ATOM 449 C PHE A 46 2.455 4.451 -3.381 1.00 0.00 C ATOM 450 O PHE A 46 1.348 4.234 -2.935 1.00 0.00 O ATOM 451 CB PHE A 46 2.696 2.124 -4.226 1.00 0.00 C ATOM 452 CG PHE A 46 3.561 1.221 -5.053 1.00 0.00 C ATOM 453 CD1 PHE A 46 4.800 0.845 -4.562 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.127 0.767 -6.303 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.624 0.012 -5.306 1.00 0.00 C ATOM 456 CE2 PHE A 46 3.950 -0.076 -7.057 1.00 0.00 C ATOM 457 CZ PHE A 46 5.202 -0.455 -6.558 1.00 0.00 C ATOM 0 H PHE A 46 5.054 2.948 -4.118 1.00 0.00 H new ATOM 0 HA PHE A 46 2.605 3.927 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.842 1.909 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.646 1.935 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.126 1.201 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.162 1.066 -6.684 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.591 -0.276 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.621 -0.434 -8.021 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.841 -1.106 -7.137 1.00 0.00 H new ATOM 467 N HIS A 47 3.194 5.412 -2.902 1.00 0.00 N ATOM 468 CA HIS A 47 2.682 6.267 -1.792 1.00 0.00 C ATOM 469 C HIS A 47 1.452 7.071 -2.229 1.00 0.00 C ATOM 470 O HIS A 47 1.466 8.285 -2.224 1.00 0.00 O ATOM 471 CB HIS A 47 3.839 7.204 -1.448 1.00 0.00 C ATOM 472 CG HIS A 47 4.294 7.939 -2.680 1.00 0.00 C ATOM 473 ND1 HIS A 47 3.676 7.785 -3.910 1.00 0.00 N ATOM 474 CD2 HIS A 47 5.307 8.843 -2.882 1.00 0.00 C ATOM 475 CE1 HIS A 47 4.316 8.577 -4.788 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.320 9.245 -4.215 1.00 0.00 N ATOM 0 H HIS A 47 4.131 5.644 -3.231 1.00 0.00 H new ATOM 0 HA HIS A 47 2.366 5.668 -0.938 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.525 7.917 -0.685 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.668 6.633 -1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.991 9.190 -2.122 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.050 8.663 -5.831 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.958 9.906 -4.658 1.00 0.00 H new ATOM 484 N THR A 48 0.381 6.405 -2.587 1.00 0.00 N ATOM 485 CA THR A 48 -0.854 7.137 -3.006 1.00 0.00 C ATOM 486 C THR A 48 -1.859 6.181 -3.650 1.00 0.00 C ATOM 487 O THR A 48 -1.576 5.023 -3.886 1.00 0.00 O ATOM 488 CB THR A 48 -0.395 8.173 -4.037 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.522 8.637 -4.764 1.00 0.00 O ATOM 490 CG2 THR A 48 0.607 7.541 -5.005 1.00 0.00 C ATOM 0 H THR A 48 0.309 5.388 -2.607 1.00 0.00 H new ATOM 0 HA THR A 48 -1.347 7.598 -2.150 1.00 0.00 H new ATOM 0 HB THR A 48 0.084 9.005 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.234 9.302 -5.424 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.927 8.285 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.473 7.181 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.136 6.706 -5.523 1.00 0.00 H new ATOM 498 N VAL A 49 -3.035 6.672 -3.939 1.00 0.00 N ATOM 499 CA VAL A 49 -4.085 5.825 -4.582 1.00 0.00 C ATOM 500 C VAL A 49 -3.470 4.870 -5.612 1.00 0.00 C ATOM 501 O VAL A 49 -4.021 3.827 -5.902 1.00 0.00 O ATOM 502 CB VAL A 49 -5.030 6.815 -5.267 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.627 7.762 -4.222 1.00 0.00 C ATOM 504 CG2 VAL A 49 -4.256 7.629 -6.306 1.00 0.00 C ATOM 0 H VAL A 49 -3.317 7.635 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.600 5.200 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.832 6.265 -5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.300 8.466 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.182 7.185 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.825 8.310 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.931 8.333 -6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.453 8.177 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.833 6.957 -7.053 1.00 0.00 H new ATOM 514 N GLU A 50 -2.338 5.217 -6.169 1.00 0.00 N ATOM 515 CA GLU A 50 -1.686 4.332 -7.180 1.00 0.00 C ATOM 516 C GLU A 50 -1.854 2.854 -6.810 1.00 0.00 C ATOM 517 O GLU A 50 -1.860 1.992 -7.666 1.00 0.00 O ATOM 518 CB GLU A 50 -0.211 4.723 -7.147 1.00 0.00 C ATOM 519 CG GLU A 50 0.020 5.921 -8.068 1.00 0.00 C ATOM 520 CD GLU A 50 0.121 5.438 -9.515 1.00 0.00 C ATOM 521 OE1 GLU A 50 -0.177 4.279 -9.753 1.00 0.00 O ATOM 522 OE2 GLU A 50 0.494 6.234 -10.360 1.00 0.00 O ATOM 0 H GLU A 50 -1.835 6.081 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.128 4.453 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.088 4.971 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.406 3.882 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.798 6.634 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.934 6.442 -7.782 1.00 0.00 H new ATOM 529 N ALA A 51 -1.993 2.548 -5.548 1.00 0.00 N ATOM 530 CA ALA A 51 -2.162 1.123 -5.147 1.00 0.00 C ATOM 531 C ALA A 51 -3.245 0.459 -6.006 1.00 0.00 C ATOM 532 O ALA A 51 -3.295 -0.748 -6.131 1.00 0.00 O ATOM 533 CB ALA A 51 -2.592 1.171 -3.680 1.00 0.00 C ATOM 0 H ALA A 51 -1.997 3.220 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.249 0.543 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.737 0.156 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.820 1.665 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.526 1.726 -3.593 1.00 0.00 H new ATOM 539 N VAL A 52 -4.113 1.237 -6.597 1.00 0.00 N ATOM 540 CA VAL A 52 -5.193 0.648 -7.443 1.00 0.00 C ATOM 541 C VAL A 52 -4.776 0.638 -8.919 1.00 0.00 C ATOM 542 O VAL A 52 -4.139 1.553 -9.403 1.00 0.00 O ATOM 543 CB VAL A 52 -6.398 1.564 -7.237 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.595 1.825 -5.741 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.152 2.894 -7.957 1.00 0.00 C ATOM 0 H VAL A 52 -4.121 2.255 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.409 -0.385 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.291 1.087 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.455 2.479 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.767 0.880 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.704 2.303 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.010 3.550 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.259 3.369 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.011 2.711 -9.022 1.00 0.00 H new ATOM 555 N ALA A 53 -5.140 -0.391 -9.637 1.00 0.00 N ATOM 556 CA ALA A 53 -4.779 -0.466 -11.085 1.00 0.00 C ATOM 557 C ALA A 53 -3.337 -0.007 -11.312 1.00 0.00 C ATOM 558 O ALA A 53 -3.070 1.165 -11.486 1.00 0.00 O ATOM 559 CB ALA A 53 -5.754 0.478 -11.785 1.00 0.00 C ATOM 0 H ALA A 53 -5.673 -1.185 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.845 -1.485 -11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.553 0.479 -12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.776 0.143 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.630 1.487 -11.391 1.00 0.00 H new ATOM 565 N TYR A 54 -2.410 -0.925 -11.322 1.00 0.00 N ATOM 566 CA TYR A 54 -0.984 -0.551 -11.547 1.00 0.00 C ATOM 567 C TYR A 54 -0.104 -1.803 -11.515 1.00 0.00 C ATOM 568 O TYR A 54 0.613 -2.094 -12.451 1.00 0.00 O ATOM 569 CB TYR A 54 -0.626 0.381 -10.390 1.00 0.00 C ATOM 570 CG TYR A 54 0.542 1.248 -10.791 1.00 0.00 C ATOM 571 CD1 TYR A 54 0.338 2.357 -11.619 1.00 0.00 C ATOM 572 CD2 TYR A 54 1.830 0.946 -10.331 1.00 0.00 C ATOM 573 CE1 TYR A 54 1.419 3.164 -11.989 1.00 0.00 C ATOM 574 CE2 TYR A 54 2.912 1.751 -10.702 1.00 0.00 C ATOM 575 CZ TYR A 54 2.708 2.862 -11.529 1.00 0.00 C ATOM 576 OH TYR A 54 3.774 3.658 -11.893 1.00 0.00 O ATOM 0 H TYR A 54 -2.579 -1.921 -11.184 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.831 -0.073 -12.515 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.483 1.003 -10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.374 -0.201 -9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.655 2.590 -11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.988 0.091 -9.690 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.260 4.019 -12.629 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.906 1.515 -10.350 1.00 0.00 H new ATOM 0 HH TYR A 54 4.596 3.310 -11.488 1.00 0.00 H new ATOM 586 N ALA A 55 -0.157 -2.545 -10.443 1.00 0.00 N ATOM 587 CA ALA A 55 0.672 -3.781 -10.345 1.00 0.00 C ATOM 588 C ALA A 55 0.160 -4.666 -9.208 1.00 0.00 C ATOM 589 O ALA A 55 -0.407 -4.181 -8.250 1.00 0.00 O ATOM 590 CB ALA A 55 2.090 -3.289 -10.041 1.00 0.00 C ATOM 0 H ALA A 55 -0.739 -2.349 -9.629 1.00 0.00 H new ATOM 0 HA ALA A 55 0.635 -4.376 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.761 -4.144 -9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.431 -2.641 -10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.089 -2.732 -9.104 1.00 0.00 H new ATOM 596 N PRO A 56 0.389 -5.941 -9.348 1.00 0.00 N ATOM 597 CA PRO A 56 -0.046 -6.905 -8.311 1.00 0.00 C ATOM 598 C PRO A 56 0.783 -6.701 -7.048 1.00 0.00 C ATOM 599 O PRO A 56 1.986 -6.883 -7.050 1.00 0.00 O ATOM 600 CB PRO A 56 0.225 -8.267 -8.948 1.00 0.00 C ATOM 601 CG PRO A 56 1.290 -8.007 -9.964 1.00 0.00 C ATOM 602 CD PRO A 56 1.068 -6.604 -10.467 1.00 0.00 C ATOM 0 HA PRO A 56 -1.089 -6.795 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.556 -8.993 -8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.674 -8.673 -9.412 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.281 -8.108 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.231 -8.726 -10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.009 -6.112 -10.713 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.457 -6.593 -11.370 1.00 0.00 H new ATOM 610 N LYS A 57 0.151 -6.308 -5.974 1.00 0.00 N ATOM 611 CA LYS A 57 0.894 -6.075 -4.706 1.00 0.00 C ATOM 612 C LYS A 57 1.982 -7.130 -4.529 1.00 0.00 C ATOM 613 O LYS A 57 3.066 -6.837 -4.083 1.00 0.00 O ATOM 614 CB LYS A 57 -0.155 -6.197 -3.599 1.00 0.00 C ATOM 615 CG LYS A 57 -1.237 -5.132 -3.796 1.00 0.00 C ATOM 616 CD LYS A 57 -0.582 -3.783 -4.112 1.00 0.00 C ATOM 617 CE LYS A 57 -0.427 -3.631 -5.627 1.00 0.00 C ATOM 618 NZ LYS A 57 -0.673 -2.187 -5.894 1.00 0.00 N ATOM 0 H LYS A 57 -0.853 -6.138 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 57 1.388 -5.104 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.602 -7.191 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.316 -6.075 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.904 -5.423 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.847 -5.049 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.190 -2.970 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.393 -3.718 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.569 -3.929 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.140 -4.259 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.281 -1.934 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.696 -2.002 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.213 -1.615 -5.157 1.00 0.00 H new ATOM 632 N LYS A 58 1.700 -8.352 -4.888 1.00 0.00 N ATOM 633 CA LYS A 58 2.722 -9.432 -4.741 1.00 0.00 C ATOM 634 C LYS A 58 3.994 -9.085 -5.524 1.00 0.00 C ATOM 635 O LYS A 58 5.085 -9.475 -5.160 1.00 0.00 O ATOM 636 CB LYS A 58 2.059 -10.677 -5.331 1.00 0.00 C ATOM 637 CG LYS A 58 2.333 -11.877 -4.424 1.00 0.00 C ATOM 638 CD LYS A 58 3.278 -12.847 -5.132 1.00 0.00 C ATOM 639 CE LYS A 58 2.858 -14.286 -4.824 1.00 0.00 C ATOM 640 NZ LYS A 58 4.082 -14.929 -4.274 1.00 0.00 N ATOM 0 H LYS A 58 0.806 -8.652 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 58 3.023 -9.573 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.985 -10.519 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.445 -10.868 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.774 -11.543 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.398 -12.380 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.256 -12.673 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.303 -12.678 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.039 -14.314 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.511 -14.798 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.877 -15.921 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.842 -14.893 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.384 -14.424 -3.417 1.00 0.00 H new ATOM 654 N GLU A 59 3.864 -8.352 -6.589 1.00 0.00 N ATOM 655 CA GLU A 59 5.068 -7.984 -7.389 1.00 0.00 C ATOM 656 C GLU A 59 5.758 -6.793 -6.745 1.00 0.00 C ATOM 657 O GLU A 59 6.947 -6.805 -6.499 1.00 0.00 O ATOM 658 CB GLU A 59 4.541 -7.619 -8.777 1.00 0.00 C ATOM 659 CG GLU A 59 5.646 -6.924 -9.576 1.00 0.00 C ATOM 660 CD GLU A 59 5.593 -7.384 -11.034 1.00 0.00 C ATOM 661 OE1 GLU A 59 4.852 -6.787 -11.796 1.00 0.00 O ATOM 662 OE2 GLU A 59 6.295 -8.327 -11.363 1.00 0.00 O ATOM 0 H GLU A 59 2.979 -7.990 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 59 5.796 -8.793 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.209 -8.516 -9.299 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.675 -6.964 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.523 -5.842 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.620 -7.156 -9.146 1.00 0.00 H new ATOM 669 N LEU A 60 5.020 -5.768 -6.451 1.00 0.00 N ATOM 670 CA LEU A 60 5.637 -4.595 -5.803 1.00 0.00 C ATOM 671 C LEU A 60 6.348 -5.071 -4.528 1.00 0.00 C ATOM 672 O LEU A 60 7.550 -4.952 -4.395 1.00 0.00 O ATOM 673 CB LEU A 60 4.453 -3.648 -5.510 1.00 0.00 C ATOM 674 CG LEU A 60 4.512 -3.098 -4.080 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.898 -2.505 -3.817 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.453 -2.007 -3.913 1.00 0.00 C ATOM 0 H LEU A 60 4.019 -5.694 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 60 6.387 -4.084 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.464 -2.821 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.514 -4.182 -5.657 1.00 0.00 H new ATOM 0 HG LEU A 60 4.322 -3.904 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.940 -2.114 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.655 -3.280 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.089 -1.698 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.493 -1.614 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.646 -1.201 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.465 -2.427 -4.101 1.00 0.00 H new ATOM 688 N ILE A 61 5.610 -5.604 -3.593 1.00 0.00 N ATOM 689 CA ILE A 61 6.232 -6.085 -2.330 1.00 0.00 C ATOM 690 C ILE A 61 7.438 -6.941 -2.657 1.00 0.00 C ATOM 691 O ILE A 61 8.404 -6.982 -1.921 1.00 0.00 O ATOM 692 CB ILE A 61 5.160 -6.923 -1.672 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.767 -8.036 -2.645 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.963 -6.028 -1.354 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.671 -9.247 -2.409 1.00 0.00 C ATOM 0 H ILE A 61 4.599 -5.727 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 61 6.570 -5.272 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 61 5.516 -7.367 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.723 -8.312 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.864 -7.688 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.182 -6.621 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.274 -5.230 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.578 -5.594 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.397 -10.045 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.710 -8.963 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.551 -9.597 -1.384 1.00 0.00 H new ATOM 707 N ASN A 62 7.407 -7.610 -3.774 1.00 0.00 N ATOM 708 CA ASN A 62 8.573 -8.438 -4.157 1.00 0.00 C ATOM 709 C ASN A 62 9.852 -7.601 -4.038 1.00 0.00 C ATOM 710 O ASN A 62 10.945 -8.131 -4.065 1.00 0.00 O ATOM 711 CB ASN A 62 8.321 -8.852 -5.609 1.00 0.00 C ATOM 712 CG ASN A 62 8.752 -10.308 -5.809 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.134 -10.975 -4.869 1.00 0.00 O ATOM 714 ND2 ASN A 62 8.705 -10.831 -7.004 1.00 0.00 N ATOM 0 H ASN A 62 6.628 -7.617 -4.432 1.00 0.00 H new ATOM 0 HA ASN A 62 8.696 -9.311 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.265 -8.738 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.876 -8.202 -6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.989 -11.800 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.384 -10.271 -7.794 1.00 0.00 H new ATOM 721 N ILE A 63 9.737 -6.294 -3.897 1.00 0.00 N ATOM 722 CA ILE A 63 10.968 -5.464 -3.769 1.00 0.00 C ATOM 723 C ILE A 63 11.968 -6.138 -2.830 1.00 0.00 C ATOM 724 O ILE A 63 12.835 -6.879 -3.250 1.00 0.00 O ATOM 725 CB ILE A 63 10.482 -4.129 -3.200 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.976 -3.267 -4.346 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.632 -3.397 -2.500 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.999 -2.229 -3.806 1.00 0.00 C ATOM 0 H ILE A 63 8.856 -5.781 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 63 11.485 -5.331 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 63 9.687 -4.315 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.812 -2.773 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.486 -3.889 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.271 -2.449 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 63 12.013 -4.013 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.432 -3.208 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.635 -1.610 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.157 -2.734 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.505 -1.600 -3.073 1.00 0.00 H new ATOM 740 N LYS A 64 11.848 -5.883 -1.569 1.00 0.00 N ATOM 741 CA LYS A 64 12.784 -6.501 -0.587 1.00 0.00 C ATOM 742 C LYS A 64 12.411 -7.970 -0.373 1.00 0.00 C ATOM 743 O LYS A 64 13.255 -8.846 -0.388 1.00 0.00 O ATOM 744 CB LYS A 64 12.589 -5.693 0.699 1.00 0.00 C ATOM 745 CG LYS A 64 13.211 -6.436 1.886 1.00 0.00 C ATOM 746 CD LYS A 64 14.726 -6.229 1.884 1.00 0.00 C ATOM 747 CE LYS A 64 15.426 -7.583 1.745 1.00 0.00 C ATOM 748 NZ LYS A 64 16.043 -7.838 3.075 1.00 0.00 N ATOM 0 H LYS A 64 11.140 -5.270 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 64 13.822 -6.483 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.049 -4.710 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.526 -5.530 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.785 -6.070 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.979 -7.499 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.013 -5.573 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.038 -5.739 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.717 -8.368 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.180 -7.558 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.542 -8.750 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.718 -7.078 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.301 -7.864 3.803 1.00 0.00 H new ATOM 762 N GLY A 65 11.153 -8.240 -0.176 1.00 0.00 N ATOM 763 CA GLY A 65 10.712 -9.645 0.038 1.00 0.00 C ATOM 764 C GLY A 65 9.439 -9.635 0.878 1.00 0.00 C ATOM 765 O GLY A 65 9.278 -10.413 1.797 1.00 0.00 O ATOM 0 H GLY A 65 10.407 -7.545 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.529 -10.134 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.493 -10.214 0.542 1.00 0.00 H new ATOM 769 N ILE A 66 8.533 -8.746 0.575 1.00 0.00 N ATOM 770 CA ILE A 66 7.270 -8.673 1.361 1.00 0.00 C ATOM 771 C ILE A 66 6.128 -9.344 0.597 1.00 0.00 C ATOM 772 O ILE A 66 6.326 -10.281 -0.148 1.00 0.00 O ATOM 773 CB ILE A 66 6.951 -7.178 1.559 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.119 -6.284 1.138 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.654 -6.920 3.031 1.00 0.00 C ATOM 776 CD1 ILE A 66 7.796 -4.845 1.528 1.00 0.00 C ATOM 0 H ILE A 66 8.613 -8.068 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 66 7.382 -9.185 2.316 1.00 0.00 H new ATOM 0 HB ILE A 66 6.090 -6.938 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.039 -6.610 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.283 -6.357 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.428 -5.864 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.799 -7.521 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.523 -7.191 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.620 -4.195 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.884 -4.527 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.652 -4.784 2.607 1.00 0.00 H new ATOM 788 N SER A 67 4.935 -8.854 0.794 1.00 0.00 N ATOM 789 CA SER A 67 3.735 -9.418 0.113 1.00 0.00 C ATOM 790 C SER A 67 2.509 -8.744 0.719 1.00 0.00 C ATOM 791 O SER A 67 2.519 -7.554 0.990 1.00 0.00 O ATOM 792 CB SER A 67 3.744 -10.916 0.431 1.00 0.00 C ATOM 793 OG SER A 67 3.772 -11.098 1.842 1.00 0.00 O ATOM 0 H SER A 67 4.737 -8.068 1.413 1.00 0.00 H new ATOM 0 HA SER A 67 3.728 -9.258 -0.965 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.860 -11.394 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.612 -11.391 -0.026 1.00 0.00 H new ATOM 0 HG SER A 67 3.776 -12.056 2.048 1.00 0.00 H new ATOM 799 N GLU A 68 1.471 -9.479 0.986 1.00 0.00 N ATOM 800 CA GLU A 68 0.301 -8.840 1.628 1.00 0.00 C ATOM 801 C GLU A 68 0.791 -8.170 2.913 1.00 0.00 C ATOM 802 O GLU A 68 0.160 -7.282 3.449 1.00 0.00 O ATOM 803 CB GLU A 68 -0.668 -9.982 1.935 1.00 0.00 C ATOM 804 CG GLU A 68 -1.587 -10.205 0.732 1.00 0.00 C ATOM 805 CD GLU A 68 -2.082 -11.653 0.727 1.00 0.00 C ATOM 806 OE1 GLU A 68 -1.335 -12.512 0.287 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.199 -11.879 1.162 1.00 0.00 O ATOM 0 H GLU A 68 1.384 -10.476 0.791 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.185 -8.085 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.114 -10.894 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.259 -9.744 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.434 -9.520 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.051 -9.990 -0.193 1.00 0.00 H new ATOM 814 N ALA A 69 1.933 -8.598 3.399 1.00 0.00 N ATOM 815 CA ALA A 69 2.500 -8.004 4.638 1.00 0.00 C ATOM 816 C ALA A 69 2.346 -6.488 4.629 1.00 0.00 C ATOM 817 O ALA A 69 1.475 -5.936 5.270 1.00 0.00 O ATOM 818 CB ALA A 69 3.981 -8.381 4.611 1.00 0.00 C ATOM 0 H ALA A 69 2.496 -9.340 2.982 1.00 0.00 H new ATOM 0 HA ALA A 69 1.993 -8.367 5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.475 -7.979 5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.080 -9.466 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.446 -7.967 3.716 1.00 0.00 H new ATOM 824 N LYS A 70 3.198 -5.810 3.920 1.00 0.00 N ATOM 825 CA LYS A 70 3.126 -4.331 3.881 1.00 0.00 C ATOM 826 C LYS A 70 2.051 -3.874 2.888 1.00 0.00 C ATOM 827 O LYS A 70 1.179 -3.098 3.224 1.00 0.00 O ATOM 828 CB LYS A 70 4.525 -3.907 3.423 1.00 0.00 C ATOM 829 CG LYS A 70 5.536 -4.047 4.580 1.00 0.00 C ATOM 830 CD LYS A 70 5.226 -5.293 5.431 1.00 0.00 C ATOM 831 CE LYS A 70 6.338 -5.517 6.457 1.00 0.00 C ATOM 832 NZ LYS A 70 6.236 -6.956 6.832 1.00 0.00 N ATOM 0 H LYS A 70 3.946 -6.221 3.362 1.00 0.00 H new ATOM 0 HA LYS A 70 2.854 -3.890 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.840 -4.522 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.503 -2.875 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.547 -4.118 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.504 -3.156 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.270 -5.167 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.132 -6.168 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.316 -5.288 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.208 -4.873 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.946 -7.177 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.285 -7.151 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.405 -7.546 5.993 1.00 0.00 H new ATOM 846 N ALA A 71 2.092 -4.350 1.673 1.00 0.00 N ATOM 847 CA ALA A 71 1.056 -3.922 0.684 1.00 0.00 C ATOM 848 C ALA A 71 -0.338 -4.007 1.303 1.00 0.00 C ATOM 849 O ALA A 71 -0.987 -3.009 1.555 1.00 0.00 O ATOM 850 CB ALA A 71 1.176 -4.907 -0.476 1.00 0.00 C ATOM 0 H ALA A 71 2.788 -5.009 1.323 1.00 0.00 H new ATOM 0 HA ALA A 71 1.203 -2.891 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.444 -4.656 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.179 -4.851 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.990 -5.919 -0.115 1.00 0.00 H new ATOM 856 N ASP A 72 -0.800 -5.196 1.545 1.00 0.00 N ATOM 857 CA ASP A 72 -2.157 -5.363 2.146 1.00 0.00 C ATOM 858 C ASP A 72 -2.272 -4.534 3.425 1.00 0.00 C ATOM 859 O ASP A 72 -3.311 -3.980 3.726 1.00 0.00 O ATOM 860 CB ASP A 72 -2.275 -6.855 2.462 1.00 0.00 C ATOM 861 CG ASP A 72 -3.736 -7.290 2.333 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.305 -7.076 1.276 1.00 0.00 O ATOM 863 OD2 ASP A 72 -4.260 -7.831 3.293 1.00 0.00 O ATOM 0 H ASP A 72 -0.300 -6.064 1.354 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.948 -5.027 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.651 -7.432 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.913 -7.054 3.471 1.00 0.00 H new ATOM 868 N LYS A 73 -1.213 -4.443 4.181 1.00 0.00 N ATOM 869 CA LYS A 73 -1.264 -3.649 5.442 1.00 0.00 C ATOM 870 C LYS A 73 -1.636 -2.195 5.139 1.00 0.00 C ATOM 871 O LYS A 73 -2.139 -1.485 5.988 1.00 0.00 O ATOM 872 CB LYS A 73 0.146 -3.741 6.024 1.00 0.00 C ATOM 873 CG LYS A 73 0.333 -2.660 7.088 1.00 0.00 C ATOM 874 CD LYS A 73 0.819 -3.304 8.388 1.00 0.00 C ATOM 875 CE LYS A 73 0.020 -2.742 9.566 1.00 0.00 C ATOM 876 NZ LYS A 73 0.062 -3.811 10.603 1.00 0.00 N ATOM 0 H LYS A 73 -0.315 -4.883 3.981 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.014 -4.024 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.306 -4.727 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.886 -3.619 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.054 -1.918 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.607 -2.136 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.699 -4.386 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.882 -3.107 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.460 -1.816 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.005 -2.514 9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.465 -3.500 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.369 -4.678 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.050 -4.002 10.865 1.00 0.00 H new ATOM 890 N ILE A 74 -1.399 -1.741 3.936 1.00 0.00 N ATOM 891 CA ILE A 74 -1.752 -0.332 3.597 1.00 0.00 C ATOM 892 C ILE A 74 -3.246 -0.245 3.267 1.00 0.00 C ATOM 893 O ILE A 74 -3.935 0.661 3.694 1.00 0.00 O ATOM 894 CB ILE A 74 -0.853 0.031 2.396 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.045 1.207 2.789 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.685 0.425 1.168 1.00 0.00 C ATOM 897 CD1 ILE A 74 -0.817 2.429 3.109 1.00 0.00 C ATOM 0 H ILE A 74 -0.979 -2.281 3.179 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.585 0.367 4.417 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.257 -0.844 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.651 0.941 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.734 1.438 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.019 0.674 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.325 -0.409 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.303 1.290 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.175 3.264 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.404 2.700 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.488 2.195 3.936 1.00 0.00 H new ATOM 909 N LEU A 75 -3.755 -1.186 2.521 1.00 0.00 N ATOM 910 CA LEU A 75 -5.205 -1.157 2.182 1.00 0.00 C ATOM 911 C LEU A 75 -6.033 -1.291 3.461 1.00 0.00 C ATOM 912 O LEU A 75 -7.190 -0.921 3.508 1.00 0.00 O ATOM 913 CB LEU A 75 -5.425 -2.363 1.272 1.00 0.00 C ATOM 914 CG LEU A 75 -5.364 -1.920 -0.189 1.00 0.00 C ATOM 915 CD1 LEU A 75 -4.048 -2.389 -0.809 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.537 -2.535 -0.958 1.00 0.00 C ATOM 0 H LEU A 75 -3.232 -1.971 2.133 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.504 -0.227 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.665 -3.120 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.392 -2.820 1.484 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.424 -0.833 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.004 -2.073 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.212 -1.953 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.988 -3.476 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.494 -2.219 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.477 -3.622 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.476 -2.202 -0.516 1.00 0.00 H new ATOM 928 N ALA A 76 -5.445 -1.812 4.502 1.00 0.00 N ATOM 929 CA ALA A 76 -6.192 -1.964 5.782 1.00 0.00 C ATOM 930 C ALA A 76 -6.161 -0.645 6.554 1.00 0.00 C ATOM 931 O ALA A 76 -7.181 -0.130 6.969 1.00 0.00 O ATOM 932 CB ALA A 76 -5.446 -3.055 6.551 1.00 0.00 C ATOM 0 H ALA A 76 -4.479 -2.139 4.522 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.239 -2.225 5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.937 -3.226 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.452 -3.978 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.416 -2.740 6.722 1.00 0.00 H new ATOM 938 N GLU A 77 -4.995 -0.092 6.740 1.00 0.00 N ATOM 939 CA GLU A 77 -4.888 1.197 7.477 1.00 0.00 C ATOM 940 C GLU A 77 -5.515 2.323 6.652 1.00 0.00 C ATOM 941 O GLU A 77 -6.159 3.209 7.179 1.00 0.00 O ATOM 942 CB GLU A 77 -3.387 1.433 7.649 1.00 0.00 C ATOM 943 CG GLU A 77 -2.764 0.257 8.404 1.00 0.00 C ATOM 944 CD GLU A 77 -2.133 0.763 9.701 1.00 0.00 C ATOM 945 OE1 GLU A 77 -1.759 1.925 9.741 1.00 0.00 O ATOM 946 OE2 GLU A 77 -2.033 -0.017 10.633 1.00 0.00 O ATOM 0 H GLU A 77 -4.110 -0.478 6.412 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.408 1.172 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.912 1.544 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.215 2.361 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.525 -0.492 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.010 -0.228 7.785 1.00 0.00 H new ATOM 953 N ALA A 78 -5.332 2.296 5.361 1.00 0.00 N ATOM 954 CA ALA A 78 -5.917 3.366 4.505 1.00 0.00 C ATOM 955 C ALA A 78 -7.445 3.323 4.580 1.00 0.00 C ATOM 956 O ALA A 78 -8.102 4.343 4.664 1.00 0.00 O ATOM 957 CB ALA A 78 -5.439 3.048 3.089 1.00 0.00 C ATOM 0 H ALA A 78 -4.803 1.580 4.862 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.611 4.363 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.830 3.794 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.349 3.062 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.796 2.060 2.797 1.00 0.00 H new ATOM 963 N ALA A 79 -8.015 2.150 4.552 1.00 0.00 N ATOM 964 CA ALA A 79 -9.500 2.042 4.621 1.00 0.00 C ATOM 965 C ALA A 79 -9.994 2.384 6.031 1.00 0.00 C ATOM 966 O ALA A 79 -11.145 2.718 6.230 1.00 0.00 O ATOM 967 CB ALA A 79 -9.807 0.583 4.283 1.00 0.00 C ATOM 0 H ALA A 79 -7.517 1.262 4.484 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.995 2.732 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.885 0.422 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.433 0.354 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.322 -0.069 5.010 1.00 0.00 H new ATOM 973 N LYS A 80 -9.134 2.307 7.011 1.00 0.00 N ATOM 974 CA LYS A 80 -9.562 2.631 8.403 1.00 0.00 C ATOM 975 C LYS A 80 -9.210 4.081 8.742 1.00 0.00 C ATOM 976 O LYS A 80 -9.595 4.599 9.773 1.00 0.00 O ATOM 977 CB LYS A 80 -8.781 1.667 9.298 1.00 0.00 C ATOM 978 CG LYS A 80 -9.744 0.981 10.269 1.00 0.00 C ATOM 979 CD LYS A 80 -9.300 -0.466 10.493 1.00 0.00 C ATOM 980 CE LYS A 80 -10.468 -1.409 10.195 1.00 0.00 C ATOM 981 NZ LYS A 80 -10.825 -1.150 8.772 1.00 0.00 N ATOM 0 H LYS A 80 -8.156 2.035 6.909 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.639 2.526 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.269 0.922 8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.013 2.208 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.764 1.517 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.758 1.004 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.454 -0.702 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.964 -0.600 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.182 -2.450 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.312 -1.211 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.063 -2.048 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.644 -0.510 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.017 -0.711 8.286 1.00 0.00 H new ATOM 995 N LEU A 81 -8.484 4.742 7.884 1.00 0.00 N ATOM 996 CA LEU A 81 -8.110 6.158 8.158 1.00 0.00 C ATOM 997 C LEU A 81 -8.706 7.077 7.086 1.00 0.00 C ATOM 998 O LEU A 81 -9.383 8.040 7.387 1.00 0.00 O ATOM 999 CB LEU A 81 -6.582 6.184 8.101 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.023 6.365 9.513 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -6.369 7.764 10.025 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -6.639 5.318 10.442 1.00 0.00 C ATOM 0 H LEU A 81 -8.133 4.363 7.004 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.485 6.507 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.208 5.257 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.245 6.997 7.458 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.940 6.243 9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.970 7.892 11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.932 8.512 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.452 7.886 10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.241 5.446 11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.722 5.441 10.461 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.393 4.320 10.079 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.462 6.781 5.839 1.00 0.00 N ATOM 1015 CA VAL A 82 -9.016 7.632 4.747 1.00 0.00 C ATOM 1016 C VAL A 82 -9.932 6.800 3.847 1.00 0.00 C ATOM 1017 O VAL A 82 -9.555 6.423 2.755 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.798 8.128 3.961 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -7.145 9.292 4.709 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.784 6.991 3.807 1.00 0.00 C ATOM 0 H VAL A 82 -7.903 5.986 5.528 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.611 8.460 5.133 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.120 8.462 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.279 9.644 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.863 10.105 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.827 8.957 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.919 7.348 3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.464 6.653 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.246 6.162 3.271 1.00 0.00 H new ATOM 1030 N PRO A 83 -11.112 6.540 4.341 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.099 5.741 3.576 1.00 0.00 C ATOM 1032 C PRO A 83 -12.687 6.572 2.433 1.00 0.00 C ATOM 1033 O PRO A 83 -13.142 6.043 1.438 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.167 5.404 4.612 1.00 0.00 C ATOM 1035 CG PRO A 83 -13.061 6.481 5.646 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.632 6.960 5.646 1.00 0.00 C ATOM 0 HA PRO A 83 -11.668 4.853 3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.160 5.385 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.996 4.420 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.742 7.301 5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.339 6.100 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.575 8.042 5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.063 6.516 6.463 1.00 0.00 H new ATOM 1044 N MET A 84 -12.681 7.872 2.565 1.00 0.00 N ATOM 1045 CA MET A 84 -13.239 8.735 1.485 1.00 0.00 C ATOM 1046 C MET A 84 -12.507 10.079 1.451 1.00 0.00 C ATOM 1047 O MET A 84 -11.566 10.303 2.187 1.00 0.00 O ATOM 1048 CB MET A 84 -14.711 8.934 1.853 1.00 0.00 C ATOM 1049 CG MET A 84 -15.546 9.048 0.576 1.00 0.00 C ATOM 1050 SD MET A 84 -16.679 10.453 0.719 1.00 0.00 S ATOM 1051 CE MET A 84 -17.759 9.745 1.987 1.00 0.00 C ATOM 0 H MET A 84 -12.314 8.373 3.374 1.00 0.00 H new ATOM 0 HA MET A 84 -13.124 8.286 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 84 -15.062 8.097 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 84 -14.827 9.833 2.458 1.00 0.00 H new ATOM 0 HG2 MET A 84 -14.894 9.180 -0.287 1.00 0.00 H new ATOM 0 HG3 MET A 84 -16.108 8.129 0.413 1.00 0.00 H new ATOM 0 HE1 MET A 84 -18.650 10.364 2.093 1.00 0.00 H new ATOM 0 HE2 MET A 84 -18.051 8.736 1.695 1.00 0.00 H new ATOM 0 HE3 MET A 84 -17.228 9.708 2.938 1.00 0.00 H new ATOM 1061 N GLY A 85 -12.933 10.976 0.606 1.00 0.00 N ATOM 1062 CA GLY A 85 -12.262 12.304 0.527 1.00 0.00 C ATOM 1063 C GLY A 85 -10.839 12.129 -0.007 1.00 0.00 C ATOM 1064 O GLY A 85 -10.004 11.643 0.737 1.00 0.00 O ATOM 0 H GLY A 85 -13.717 10.847 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.827 12.970 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.237 12.769 1.512 1.00 0.00 H new TER 1068 GLY A 85