USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -117:sc= 0.323 USER MOD Set 1.2: A 78 THR OG1 : rot 160:sc= 0.511 USER MOD Set 2.1: A 63 ASN : amide:sc= -1.88! C(o=-1.9!,f=-2!) USER MOD Set 2.2: A 74 TYR OH : rot 30:sc= -0.0648 USER MOD Set 3.1: A 46 TYR OH : rot -59:sc= 0.867 USER MOD Set 3.2: A 79 LYS NZ :NH3+ -127:sc= 0.46 (180deg=0) USER MOD Set 4.1: A 19 THR OG1 : rot -115:sc= 1.8 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.77 K(o=3.6,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.162 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 0.659 (180deg=-0.981) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0343) USER MOD Single : A 12 THR OG1 : rot -46:sc= 0.051 USER MOD Single : A 14 CYS SG : rot -150:sc= -0.0692 USER MOD Single : A 16 GLN : amide:sc= 0.858 K(o=0.86,f=-0.2) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.316 K(o=0.32,f=-1.8!) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -0.81 F(o=-2.1,f=-0.81) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0736) USER MOD Single : A 33 HIS : no HE2:sc= 0.165 K(o=0.17,f=-1.2) USER MOD Single : A 39 HIS : no HE2:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 40 SER OG : rot 87:sc= 1.27 USER MOD Single : A 42 GLN : amide:sc= -3.07! C(o=-3.1!,f=-3.7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -120:sc= 0.114 USER MOD Single : A 52 ASN : amide:sc= -0.704 K(o=-0.7,f=-4.2!) USER MOD Single : A 54 LYS NZ :NH3+ 145:sc= 1.3 (180deg=-0.913!) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= 1.34 (180deg=0.00147) USER MOD Single : A 56 ASN : amide:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.19) USER MOD Single : A 64 MET CE :methyl -171:sc= -2.5 (180deg=-3.05) USER MOD Single : A 65 SER OG : rot -37:sc= 0.793 USER MOD Single : A 69 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.18) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.163 (180deg=-0.481) USER MOD Single : A 86 LYS NZ :NH3+ -137:sc= 1.96 (180deg=-0.173) USER MOD Single : A 87 LYS NZ :NH3+ -110:sc= -0.1! (180deg=-0.874) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.0197 X(o=0.02,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 144:sc=3.05e-05 USER MOD Single : A 99 LYS NZ :NH3+ 141:sc= -1.22! (180deg=-2.41!) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0.577 (180deg=0.214) USER MOD Single : A 102 THR OG1 : rot -22:sc= 0.09 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -14.490 -9.395 -0.096 1.00 0.00 N ATOM 85 CA GLY A 1 -14.813 -8.330 -1.035 1.00 0.00 C ATOM 86 C GLY A 1 -14.634 -8.902 -2.442 1.00 0.00 C ATOM 87 O GLY A 1 -14.659 -10.120 -2.614 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.235 -9.458 0.627 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.425 -10.299 -0.606 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.579 -9.190 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.836 -7.983 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.160 -7.471 -0.882 1.00 0.00 H new ATOM 91 N SER A 2 -14.394 -8.070 -3.452 1.00 0.00 N ATOM 92 CA SER A 2 -14.044 -8.579 -4.792 1.00 0.00 C ATOM 93 C SER A 2 -12.893 -7.824 -5.454 1.00 0.00 C ATOM 94 O SER A 2 -12.785 -6.603 -5.349 1.00 0.00 O ATOM 95 CB SER A 2 -15.275 -8.590 -5.695 1.00 0.00 C ATOM 96 OG SER A 2 -15.008 -9.364 -6.849 1.00 0.00 O ATOM 0 H SER A 2 -14.432 -7.053 -3.379 1.00 0.00 H new ATOM 0 HA SER A 2 -13.688 -9.599 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.129 -9.002 -5.158 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.539 -7.572 -5.980 1.00 0.00 H new ATOM 0 HG SER A 2 -15.799 -9.372 -7.428 1.00 0.00 H new ATOM 102 N ALA A 3 -12.031 -8.545 -6.180 1.00 0.00 N ATOM 103 CA ALA A 3 -10.823 -7.977 -6.777 1.00 0.00 C ATOM 104 C ALA A 3 -11.124 -6.820 -7.748 1.00 0.00 C ATOM 105 O ALA A 3 -10.400 -5.828 -7.760 1.00 0.00 O ATOM 106 CB ALA A 3 -10.015 -9.101 -7.437 1.00 0.00 C ATOM 0 H ALA A 3 -12.154 -9.540 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.223 -7.528 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.112 -8.686 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.740 -9.841 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.618 -9.577 -8.211 1.00 0.00 H new ATOM 112 N LYS A 4 -12.238 -6.872 -8.501 1.00 0.00 N ATOM 113 CA LYS A 4 -12.677 -5.739 -9.343 1.00 0.00 C ATOM 114 C LYS A 4 -13.251 -4.540 -8.581 1.00 0.00 C ATOM 115 O LYS A 4 -13.235 -3.430 -9.105 1.00 0.00 O ATOM 116 CB LYS A 4 -13.655 -6.201 -10.440 1.00 0.00 C ATOM 117 CG LYS A 4 -12.914 -6.709 -11.687 1.00 0.00 C ATOM 118 CD LYS A 4 -13.888 -6.974 -12.846 1.00 0.00 C ATOM 119 CE LYS A 4 -13.111 -7.267 -14.138 1.00 0.00 C ATOM 120 NZ LYS A 4 -14.018 -7.435 -15.302 1.00 0.00 N ATOM 0 H LYS A 4 -12.852 -7.685 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.758 -5.373 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.293 -6.993 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.308 -5.373 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.170 -5.974 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.376 -7.625 -11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.533 -7.818 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.535 -6.109 -12.991 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.414 -6.453 -14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.516 -8.171 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.456 -7.631 -16.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.667 -8.228 -15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.567 -6.563 -15.443 1.00 0.00 H new ATOM 134 N LYS A 5 -13.736 -4.759 -7.363 1.00 0.00 N ATOM 135 CA LYS A 5 -14.235 -3.721 -6.443 1.00 0.00 C ATOM 136 C LYS A 5 -13.083 -2.970 -5.777 1.00 0.00 C ATOM 137 O LYS A 5 -13.031 -1.748 -5.866 1.00 0.00 O ATOM 138 CB LYS A 5 -15.188 -4.333 -5.402 1.00 0.00 C ATOM 139 CG LYS A 5 -16.640 -4.380 -5.914 1.00 0.00 C ATOM 140 CD LYS A 5 -17.573 -5.334 -5.142 1.00 0.00 C ATOM 141 CE LYS A 5 -17.340 -5.424 -3.626 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.356 -4.102 -2.962 1.00 0.00 N ATOM 0 H LYS A 5 -13.798 -5.697 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.799 -2.993 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.857 -5.342 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.145 -3.749 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.057 -3.374 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.630 -4.676 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.603 -5.020 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.469 -6.333 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.108 -6.057 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.381 -5.907 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.859 -4.165 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.881 -3.403 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.340 -3.807 -2.800 1.00 0.00 H new ATOM 156 N GLY A 6 -12.129 -3.685 -5.177 1.00 0.00 N ATOM 157 CA GLY A 6 -10.917 -3.052 -4.649 1.00 0.00 C ATOM 158 C GLY A 6 -10.116 -2.296 -5.718 1.00 0.00 C ATOM 159 O GLY A 6 -9.592 -1.224 -5.425 1.00 0.00 O ATOM 0 H GLY A 6 -12.170 -4.696 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.193 -2.360 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.282 -3.816 -4.200 1.00 0.00 H new ATOM 163 N ALA A 7 -10.089 -2.816 -6.952 1.00 0.00 N ATOM 164 CA ALA A 7 -9.461 -2.191 -8.117 1.00 0.00 C ATOM 165 C ALA A 7 -10.021 -0.795 -8.427 1.00 0.00 C ATOM 166 O ALA A 7 -9.252 0.161 -8.506 1.00 0.00 O ATOM 167 CB ALA A 7 -9.609 -3.099 -9.345 1.00 0.00 C ATOM 0 H ALA A 7 -10.519 -3.714 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.407 -2.061 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.139 -2.625 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.127 -4.057 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.667 -3.261 -9.552 1.00 0.00 H new ATOM 173 N THR A 8 -11.336 -0.655 -8.644 1.00 0.00 N ATOM 174 CA THR A 8 -11.941 0.655 -8.963 1.00 0.00 C ATOM 175 C THR A 8 -11.787 1.658 -7.820 1.00 0.00 C ATOM 176 O THR A 8 -11.531 2.836 -8.072 1.00 0.00 O ATOM 177 CB THR A 8 -13.422 0.539 -9.356 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.152 -0.200 -8.409 1.00 0.00 O ATOM 179 CG2 THR A 8 -13.595 -0.176 -10.695 1.00 0.00 C ATOM 0 H THR A 8 -12.002 -1.426 -8.606 1.00 0.00 H new ATOM 0 HA THR A 8 -11.388 1.027 -9.825 1.00 0.00 H new ATOM 0 HB THR A 8 -13.791 1.563 -9.415 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.090 -0.254 -8.688 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.655 -0.239 -10.939 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.075 0.381 -11.475 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.178 -1.181 -10.628 1.00 0.00 H new ATOM 187 N LEU A 9 -11.852 1.191 -6.571 1.00 0.00 N ATOM 188 CA LEU A 9 -11.668 2.001 -5.381 1.00 0.00 C ATOM 189 C LEU A 9 -10.221 2.496 -5.267 1.00 0.00 C ATOM 190 O LEU A 9 -9.996 3.693 -5.153 1.00 0.00 O ATOM 191 CB LEU A 9 -12.136 1.202 -4.151 1.00 0.00 C ATOM 192 CG LEU A 9 -12.491 2.160 -3.002 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.910 1.924 -2.487 1.00 0.00 C ATOM 194 CD2 LEU A 9 -11.519 2.085 -1.830 1.00 0.00 C ATOM 0 H LEU A 9 -12.040 0.210 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.280 2.901 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.004 0.596 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.351 0.516 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.418 3.158 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.123 2.620 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.622 2.082 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.999 0.901 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.829 2.786 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.516 1.074 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.516 2.341 -2.172 1.00 0.00 H new ATOM 206 N PHE A 10 -9.231 1.613 -5.399 1.00 0.00 N ATOM 207 CA PHE A 10 -7.817 1.966 -5.557 1.00 0.00 C ATOM 208 C PHE A 10 -7.603 3.000 -6.680 1.00 0.00 C ATOM 209 O PHE A 10 -6.875 3.981 -6.488 1.00 0.00 O ATOM 210 CB PHE A 10 -7.002 0.681 -5.795 1.00 0.00 C ATOM 211 CG PHE A 10 -5.566 0.939 -6.203 1.00 0.00 C ATOM 212 CD1 PHE A 10 -5.247 1.116 -7.562 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.554 1.043 -5.232 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.946 1.489 -7.936 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.252 1.422 -5.613 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.960 1.686 -6.957 1.00 0.00 C ATOM 0 H PHE A 10 -9.393 0.606 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.467 2.443 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.010 0.082 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.490 0.090 -6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.003 0.965 -8.318 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.775 0.833 -4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.704 1.625 -8.980 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.477 1.509 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.979 2.040 -7.239 1.00 0.00 H new ATOM 226 N LYS A 11 -8.262 2.817 -7.836 1.00 0.00 N ATOM 227 CA LYS A 11 -8.125 3.669 -9.037 1.00 0.00 C ATOM 228 C LYS A 11 -8.538 5.135 -8.830 1.00 0.00 C ATOM 229 O LYS A 11 -8.151 5.979 -9.630 1.00 0.00 O ATOM 230 CB LYS A 11 -8.902 3.035 -10.211 1.00 0.00 C ATOM 231 CG LYS A 11 -8.255 3.358 -11.563 1.00 0.00 C ATOM 232 CD LYS A 11 -9.024 2.772 -12.754 1.00 0.00 C ATOM 233 CE LYS A 11 -8.170 2.791 -14.033 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.691 4.155 -14.381 1.00 0.00 N ATOM 0 H LYS A 11 -8.924 2.052 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.060 3.710 -9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.944 1.954 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.930 3.397 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.189 4.440 -11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.235 2.973 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.323 1.748 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.938 3.343 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.312 2.131 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.755 2.393 -14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.238 4.136 -15.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.497 4.812 -14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.002 4.473 -13.670 1.00 0.00 H new ATOM 248 N THR A 12 -9.278 5.441 -7.762 1.00 0.00 N ATOM 249 CA THR A 12 -9.772 6.786 -7.402 1.00 0.00 C ATOM 250 C THR A 12 -9.389 7.207 -5.967 1.00 0.00 C ATOM 251 O THR A 12 -9.940 8.144 -5.388 1.00 0.00 O ATOM 252 CB THR A 12 -11.276 6.869 -7.721 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.666 8.210 -7.858 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.189 6.189 -6.703 1.00 0.00 C ATOM 0 H THR A 12 -9.566 4.730 -7.089 1.00 0.00 H new ATOM 0 HA THR A 12 -9.267 7.533 -8.015 1.00 0.00 H new ATOM 0 HB THR A 12 -11.398 6.320 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.293 8.736 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.228 6.301 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.941 5.129 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.051 6.651 -5.725 1.00 0.00 H new ATOM 262 N ARG A 13 -8.418 6.503 -5.361 1.00 0.00 N ATOM 263 CA ARG A 13 -7.895 6.764 -4.003 1.00 0.00 C ATOM 264 C ARG A 13 -6.365 6.791 -3.928 1.00 0.00 C ATOM 265 O ARG A 13 -5.802 7.698 -3.319 1.00 0.00 O ATOM 266 CB ARG A 13 -8.431 5.704 -3.022 1.00 0.00 C ATOM 267 CG ARG A 13 -9.957 5.646 -2.847 1.00 0.00 C ATOM 268 CD ARG A 13 -10.572 6.790 -2.042 1.00 0.00 C ATOM 269 NE ARG A 13 -11.899 6.375 -1.538 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.869 7.120 -1.048 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.806 8.421 -1.066 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.929 6.568 -0.528 1.00 0.00 N ATOM 0 H ARG A 13 -7.960 5.712 -5.814 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.244 7.760 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.088 4.725 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.981 5.884 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.418 5.631 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.214 4.705 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.921 7.055 -1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.669 7.678 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.090 5.374 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.992 8.887 -1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.571 8.974 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.012 5.552 -0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.675 7.152 -0.151 1.00 0.00 H new ATOM 286 N CYS A 14 -5.703 5.786 -4.506 1.00 0.00 N ATOM 287 CA CYS A 14 -4.284 5.480 -4.288 1.00 0.00 C ATOM 288 C CYS A 14 -3.447 5.648 -5.563 1.00 0.00 C ATOM 289 O CYS A 14 -2.266 6.003 -5.501 1.00 0.00 O ATOM 290 CB CYS A 14 -4.178 4.013 -3.883 1.00 0.00 C ATOM 291 SG CYS A 14 -5.300 3.369 -2.602 1.00 0.00 S ATOM 0 H CYS A 14 -6.151 5.143 -5.158 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.909 6.165 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.324 3.412 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.157 3.838 -3.545 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.714 2.404 -1.957 1.00 0.00 H new ATOM 296 N LEU A 15 -4.059 5.421 -6.737 1.00 0.00 N ATOM 297 CA LEU A 15 -3.391 5.485 -8.043 1.00 0.00 C ATOM 298 C LEU A 15 -2.773 6.870 -8.354 1.00 0.00 C ATOM 299 O LEU A 15 -1.838 6.969 -9.140 1.00 0.00 O ATOM 300 CB LEU A 15 -4.372 5.005 -9.132 1.00 0.00 C ATOM 301 CG LEU A 15 -3.761 4.904 -10.545 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.683 3.832 -10.706 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.847 4.589 -11.574 1.00 0.00 C ATOM 0 H LEU A 15 -5.049 5.184 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.532 4.815 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.761 4.027 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.221 5.688 -9.165 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.297 5.877 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.315 3.838 -11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.859 4.039 -10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.106 2.854 -10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.400 4.521 -12.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.321 3.640 -11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.596 5.381 -11.567 1.00 0.00 H new ATOM 315 N GLN A 16 -3.210 7.935 -7.673 1.00 0.00 N ATOM 316 CA GLN A 16 -2.565 9.252 -7.717 1.00 0.00 C ATOM 317 C GLN A 16 -1.085 9.253 -7.269 1.00 0.00 C ATOM 318 O GLN A 16 -0.312 10.076 -7.753 1.00 0.00 O ATOM 319 CB GLN A 16 -3.414 10.263 -6.927 1.00 0.00 C ATOM 320 CG GLN A 16 -3.580 9.942 -5.430 1.00 0.00 C ATOM 321 CD GLN A 16 -4.511 10.932 -4.730 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.554 12.116 -5.022 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.278 10.488 -3.755 1.00 0.00 N ATOM 0 H GLN A 16 -4.031 7.906 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.522 9.553 -8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.961 11.250 -7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.402 10.320 -7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.975 8.932 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.604 9.958 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.255 9.501 -3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.895 11.131 -3.258 1.00 0.00 H new ATOM 332 N CYS A 17 -0.661 8.309 -6.414 1.00 0.00 N ATOM 333 CA CYS A 17 0.697 8.257 -5.842 1.00 0.00 C ATOM 334 C CYS A 17 1.498 6.995 -6.195 1.00 0.00 C ATOM 335 O CYS A 17 2.723 7.019 -6.059 1.00 0.00 O ATOM 336 CB CYS A 17 0.634 8.397 -4.319 1.00 0.00 C ATOM 337 SG CYS A 17 0.100 10.023 -3.708 1.00 0.00 S ATOM 0 H CYS A 17 -1.260 7.548 -6.095 1.00 0.00 H new ATOM 0 HA CYS A 17 1.228 9.094 -6.296 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.046 7.640 -3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.621 8.180 -3.910 1.00 0.00 H new ATOM 0 HG CYS A 17 0.085 10.015 -2.408 1.00 0.00 H new ATOM 342 N HIS A 18 0.836 5.917 -6.636 1.00 0.00 N ATOM 343 CA HIS A 18 1.407 4.577 -6.870 1.00 0.00 C ATOM 344 C HIS A 18 1.118 4.012 -8.276 1.00 0.00 C ATOM 345 O HIS A 18 0.287 4.539 -9.005 1.00 0.00 O ATOM 346 CB HIS A 18 0.806 3.630 -5.818 1.00 0.00 C ATOM 347 CG HIS A 18 1.375 3.820 -4.440 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.650 3.488 -4.052 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.720 4.325 -3.347 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.763 3.793 -2.753 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.609 4.298 -2.273 1.00 0.00 N ATOM 0 H HIS A 18 -0.160 5.954 -6.851 1.00 0.00 H new ATOM 0 HA HIS A 18 2.491 4.660 -6.793 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.273 3.781 -5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.973 2.600 -6.132 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.376 3.084 -4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.300 4.680 -3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.660 3.653 -2.168 1.00 0.00 H new ATOM 359 N THR A 19 1.729 2.876 -8.620 1.00 0.00 N ATOM 360 CA THR A 19 1.279 1.955 -9.687 1.00 0.00 C ATOM 361 C THR A 19 1.255 0.514 -9.151 1.00 0.00 C ATOM 362 O THR A 19 1.843 0.245 -8.106 1.00 0.00 O ATOM 363 CB THR A 19 2.127 2.088 -10.965 1.00 0.00 C ATOM 364 OG1 THR A 19 3.500 1.879 -10.726 1.00 0.00 O ATOM 365 CG2 THR A 19 1.988 3.458 -11.628 1.00 0.00 C ATOM 0 H THR A 19 2.578 2.554 -8.154 1.00 0.00 H new ATOM 0 HA THR A 19 0.265 2.231 -9.976 1.00 0.00 H new ATOM 0 HB THR A 19 1.738 1.314 -11.627 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.992 2.709 -10.899 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.608 3.493 -12.524 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.946 3.626 -11.901 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.310 4.233 -10.933 1.00 0.00 H new ATOM 373 N VAL A 20 0.560 -0.421 -9.811 1.00 0.00 N ATOM 374 CA VAL A 20 0.396 -1.834 -9.358 1.00 0.00 C ATOM 375 C VAL A 20 0.658 -2.821 -10.506 1.00 0.00 C ATOM 376 O VAL A 20 0.260 -3.982 -10.474 1.00 0.00 O ATOM 377 CB VAL A 20 -0.986 -2.101 -8.705 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.942 -3.277 -7.714 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.512 -0.904 -7.906 1.00 0.00 C ATOM 0 H VAL A 20 0.083 -0.227 -10.691 1.00 0.00 H new ATOM 0 HA VAL A 20 1.146 -1.996 -8.584 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.640 -2.315 -9.550 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.932 -3.426 -7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.634 -4.182 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.229 -3.057 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.481 -1.153 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.810 -0.663 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.619 -0.044 -8.567 1.00 0.00 H new ATOM 389 N GLU A 21 1.321 -2.337 -11.553 1.00 0.00 N ATOM 390 CA GLU A 21 1.448 -3.008 -12.845 1.00 0.00 C ATOM 391 C GLU A 21 2.915 -3.362 -13.113 1.00 0.00 C ATOM 392 O GLU A 21 3.842 -2.754 -12.568 1.00 0.00 O ATOM 393 CB GLU A 21 0.866 -2.132 -13.966 1.00 0.00 C ATOM 394 CG GLU A 21 -0.524 -1.552 -13.627 1.00 0.00 C ATOM 395 CD GLU A 21 -0.999 -0.525 -14.656 1.00 0.00 C ATOM 396 OE1 GLU A 21 -0.425 0.589 -14.637 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.963 -0.837 -15.391 1.00 0.00 O ATOM 0 H GLU A 21 1.801 -1.437 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 21 0.876 -3.936 -12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.554 -1.312 -14.171 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.793 -2.723 -14.879 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.248 -2.364 -13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.489 -1.085 -12.643 1.00 0.00 H new ATOM 440 N PRO A 25 5.736 2.901 -13.637 1.00 0.00 N ATOM 441 CA PRO A 25 6.673 3.847 -13.038 1.00 0.00 C ATOM 442 C PRO A 25 6.359 4.132 -11.563 1.00 0.00 C ATOM 443 O PRO A 25 5.216 4.023 -11.111 1.00 0.00 O ATOM 444 CB PRO A 25 6.564 5.111 -13.899 1.00 0.00 C ATOM 445 CG PRO A 25 5.137 5.050 -14.442 1.00 0.00 C ATOM 446 CD PRO A 25 4.928 3.552 -14.657 1.00 0.00 C ATOM 0 HA PRO A 25 7.687 3.447 -13.026 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.731 6.013 -13.311 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.300 5.114 -14.703 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.416 5.463 -13.736 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.032 5.612 -15.370 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.876 3.283 -14.557 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.240 3.251 -15.657 1.00 0.00 H new ATOM 454 N HIS A 26 7.383 4.564 -10.824 1.00 0.00 N ATOM 455 CA HIS A 26 7.214 5.252 -9.538 1.00 0.00 C ATOM 456 C HIS A 26 6.587 6.647 -9.750 1.00 0.00 C ATOM 457 O HIS A 26 6.554 7.170 -10.868 1.00 0.00 O ATOM 458 CB HIS A 26 8.581 5.391 -8.844 1.00 0.00 C ATOM 459 CG HIS A 26 9.172 4.107 -8.313 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.755 3.960 -7.086 1.00 0.00 N flip ATOM 461 CD2 HIS A 26 9.229 2.882 -8.946 1.00 0.00 C flip ATOM 462 CE1 HIS A 26 10.160 2.632 -6.968 1.00 0.00 C flip ATOM 463 NE2 HIS A 26 9.850 2.026 -8.118 1.00 0.00 N flip ATOM 0 H HIS A 26 8.358 4.447 -11.100 1.00 0.00 H new ATOM 0 HA HIS A 26 6.546 4.664 -8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.285 5.830 -9.551 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.480 6.094 -8.017 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.872 4.690 -6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.844 2.653 -9.929 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.634 2.179 -6.110 1.00 0.00 H new ATOM 471 N LYS A 27 6.095 7.276 -8.675 1.00 0.00 N ATOM 472 CA LYS A 27 5.520 8.631 -8.707 1.00 0.00 C ATOM 473 C LYS A 27 5.846 9.410 -7.420 1.00 0.00 C ATOM 474 O LYS A 27 7.020 9.656 -7.138 1.00 0.00 O ATOM 475 CB LYS A 27 4.023 8.506 -9.099 1.00 0.00 C ATOM 476 CG LYS A 27 3.538 9.631 -10.023 1.00 0.00 C ATOM 477 CD LYS A 27 4.093 9.463 -11.452 1.00 0.00 C ATOM 478 CE LYS A 27 3.482 10.461 -12.443 1.00 0.00 C ATOM 479 NZ LYS A 27 2.042 10.193 -12.688 1.00 0.00 N ATOM 0 H LYS A 27 6.084 6.855 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 27 5.978 9.257 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.863 7.547 -9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.417 8.504 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.448 9.636 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.850 10.595 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.175 9.590 -11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.897 8.448 -11.797 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.602 11.474 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.025 10.413 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.711 10.776 -13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.910 9.187 -12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.495 10.428 -11.835 1.00 0.00 H new ATOM 493 N VAL A 28 4.848 9.743 -6.595 1.00 0.00 N ATOM 494 CA VAL A 28 5.057 10.194 -5.207 1.00 0.00 C ATOM 495 C VAL A 28 5.665 9.059 -4.372 1.00 0.00 C ATOM 496 O VAL A 28 6.604 9.294 -3.604 1.00 0.00 O ATOM 497 CB VAL A 28 3.738 10.681 -4.572 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.968 11.271 -3.175 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.052 11.762 -5.418 1.00 0.00 C ATOM 0 H VAL A 28 3.866 9.709 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 28 5.749 11.036 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 28 3.101 9.798 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.017 11.603 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.402 10.510 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.649 12.119 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.128 12.073 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.716 12.621 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.824 11.361 -6.406 1.00 0.00 H new ATOM 509 N GLY A 29 5.158 7.832 -4.563 1.00 0.00 N ATOM 510 CA GLY A 29 5.634 6.575 -3.982 1.00 0.00 C ATOM 511 C GLY A 29 5.962 5.511 -5.048 1.00 0.00 C ATOM 512 O GLY A 29 5.904 5.797 -6.248 1.00 0.00 O ATOM 0 H GLY A 29 4.350 7.686 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.524 6.770 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.875 6.183 -3.305 1.00 0.00 H new ATOM 516 N PRO A 30 6.353 4.295 -4.625 1.00 0.00 N ATOM 517 CA PRO A 30 6.801 3.239 -5.530 1.00 0.00 C ATOM 518 C PRO A 30 5.680 2.561 -6.343 1.00 0.00 C ATOM 519 O PRO A 30 4.498 2.905 -6.266 1.00 0.00 O ATOM 520 CB PRO A 30 7.586 2.270 -4.630 1.00 0.00 C ATOM 521 CG PRO A 30 6.906 2.404 -3.271 1.00 0.00 C ATOM 522 CD PRO A 30 6.493 3.875 -3.235 1.00 0.00 C ATOM 0 HA PRO A 30 7.419 3.649 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.535 1.247 -5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.641 2.538 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.045 1.741 -3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.584 2.155 -2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.555 4.002 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.242 4.477 -2.721 1.00 0.00 H new ATOM 530 N ASN A 31 6.072 1.578 -7.158 1.00 0.00 N ATOM 531 CA ASN A 31 5.161 0.542 -7.646 1.00 0.00 C ATOM 532 C ASN A 31 4.765 -0.423 -6.493 1.00 0.00 C ATOM 533 O ASN A 31 5.407 -0.421 -5.440 1.00 0.00 O ATOM 534 CB ASN A 31 5.875 -0.153 -8.815 1.00 0.00 C ATOM 535 CG ASN A 31 5.022 -1.205 -9.496 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.022 -2.358 -9.115 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.265 -0.858 -10.504 1.00 0.00 N ATOM 0 H ASN A 31 7.029 1.479 -7.497 1.00 0.00 H new ATOM 0 HA ASN A 31 4.217 0.956 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.170 0.597 -9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.790 -0.618 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.679 -1.554 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.260 0.109 -10.829 1.00 0.00 H new ATOM 544 N LEU A 32 3.727 -1.242 -6.674 1.00 0.00 N ATOM 545 CA LEU A 32 3.173 -2.139 -5.655 1.00 0.00 C ATOM 546 C LEU A 32 3.079 -3.619 -6.106 1.00 0.00 C ATOM 547 O LEU A 32 2.681 -4.479 -5.326 1.00 0.00 O ATOM 548 CB LEU A 32 1.804 -1.581 -5.211 1.00 0.00 C ATOM 549 CG LEU A 32 1.800 -0.201 -4.516 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.351 0.209 -4.225 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.549 -0.180 -3.181 1.00 0.00 C ATOM 0 H LEU A 32 3.232 -1.302 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 32 3.862 -2.161 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.162 -1.519 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.348 -2.303 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 32 2.305 0.482 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.340 1.182 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.205 0.268 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.113 -0.531 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.503 0.822 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.088 -0.890 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.591 -0.457 -3.344 1.00 0.00 H new ATOM 563 N HIS A 33 3.442 -3.949 -7.350 1.00 0.00 N ATOM 564 CA HIS A 33 3.459 -5.304 -7.930 1.00 0.00 C ATOM 565 C HIS A 33 4.662 -6.119 -7.405 1.00 0.00 C ATOM 566 O HIS A 33 5.738 -6.144 -8.008 1.00 0.00 O ATOM 567 CB HIS A 33 3.472 -5.147 -9.458 1.00 0.00 C ATOM 568 CG HIS A 33 3.198 -6.412 -10.221 1.00 0.00 C ATOM 569 ND1 HIS A 33 1.961 -6.923 -10.535 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.141 -7.241 -10.756 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.153 -8.035 -11.260 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.465 -8.250 -11.452 1.00 0.00 N ATOM 0 H HIS A 33 3.749 -3.243 -8.019 1.00 0.00 H new ATOM 0 HA HIS A 33 2.575 -5.867 -7.632 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.729 -4.401 -9.739 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.444 -4.759 -9.762 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.060 -6.528 -10.265 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.212 -7.138 -10.660 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.364 -8.669 -11.637 1.00 0.00 H new ATOM 580 N GLY A 34 4.481 -6.762 -6.252 1.00 0.00 N ATOM 581 CA GLY A 34 5.520 -7.525 -5.542 1.00 0.00 C ATOM 582 C GLY A 34 5.687 -7.199 -4.052 1.00 0.00 C ATOM 583 O GLY A 34 6.642 -7.676 -3.445 1.00 0.00 O ATOM 0 H GLY A 34 3.583 -6.770 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.294 -8.587 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.474 -7.355 -6.041 1.00 0.00 H new ATOM 587 N ILE A 35 4.795 -6.398 -3.452 1.00 0.00 N ATOM 588 CA ILE A 35 4.861 -6.013 -2.027 1.00 0.00 C ATOM 589 C ILE A 35 4.705 -7.204 -1.063 1.00 0.00 C ATOM 590 O ILE A 35 5.451 -7.304 -0.091 1.00 0.00 O ATOM 591 CB ILE A 35 3.841 -4.890 -1.694 1.00 0.00 C ATOM 592 CG1 ILE A 35 2.379 -5.277 -2.018 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.281 -3.591 -2.392 1.00 0.00 C ATOM 594 CD1 ILE A 35 1.350 -4.164 -1.808 1.00 0.00 C ATOM 0 H ILE A 35 3.998 -5.993 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 35 5.867 -5.623 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 35 3.844 -4.731 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.328 -5.606 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.100 -6.130 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.570 -2.797 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.271 -3.305 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.313 -3.750 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.357 -4.534 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.364 -3.848 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.596 -3.316 -2.447 1.00 0.00 H new ATOM 606 N PHE A 36 3.721 -8.078 -1.313 1.00 0.00 N ATOM 607 CA PHE A 36 3.306 -9.165 -0.428 1.00 0.00 C ATOM 608 C PHE A 36 4.450 -10.167 -0.228 1.00 0.00 C ATOM 609 O PHE A 36 4.952 -10.762 -1.184 1.00 0.00 O ATOM 610 CB PHE A 36 2.004 -9.813 -0.941 1.00 0.00 C ATOM 611 CG PHE A 36 0.759 -9.008 -0.587 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.149 -9.195 0.667 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.230 -8.037 -1.463 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.936 -8.393 1.056 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.866 -7.244 -1.078 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.437 -7.405 0.196 1.00 0.00 C ATOM 0 H PHE A 36 3.173 -8.042 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 36 3.079 -8.762 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.062 -9.925 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.914 -10.815 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.517 -9.960 1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.671 -7.901 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.389 -8.538 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.269 -6.511 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.255 -6.773 0.510 1.00 0.00 H new ATOM 626 N GLY A 37 4.904 -10.282 1.024 1.00 0.00 N ATOM 627 CA GLY A 37 6.052 -11.103 1.419 1.00 0.00 C ATOM 628 C GLY A 37 7.410 -10.388 1.355 1.00 0.00 C ATOM 629 O GLY A 37 8.449 -11.050 1.385 1.00 0.00 O ATOM 0 H GLY A 37 4.473 -9.795 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.893 -11.459 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.090 -11.982 0.776 1.00 0.00 H new ATOM 633 N ARG A 38 7.443 -9.054 1.250 1.00 0.00 N ATOM 634 CA ARG A 38 8.656 -8.209 1.314 1.00 0.00 C ATOM 635 C ARG A 38 8.601 -7.255 2.518 1.00 0.00 C ATOM 636 O ARG A 38 7.649 -7.306 3.288 1.00 0.00 O ATOM 637 CB ARG A 38 8.829 -7.472 -0.030 1.00 0.00 C ATOM 638 CG ARG A 38 10.160 -7.746 -0.742 1.00 0.00 C ATOM 639 CD ARG A 38 10.169 -9.141 -1.376 1.00 0.00 C ATOM 640 NE ARG A 38 11.457 -9.422 -2.048 1.00 0.00 N ATOM 641 CZ ARG A 38 11.977 -10.606 -2.319 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.398 -11.719 -1.956 1.00 0.00 N ATOM 643 NH2 ARG A 38 13.106 -10.689 -2.964 1.00 0.00 N ATOM 0 H ARG A 38 6.594 -8.505 1.112 1.00 0.00 H new ATOM 0 HA ARG A 38 9.536 -8.833 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.012 -7.756 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.739 -6.400 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.326 -6.992 -1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.981 -7.661 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.987 -9.892 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.356 -9.219 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 38 12.005 -8.611 -2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.515 -11.692 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.829 -12.615 -2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.588 -9.840 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.508 -11.603 -3.173 1.00 0.00 H new ATOM 657 N HIS A 39 9.640 -6.437 2.705 1.00 0.00 N ATOM 658 CA HIS A 39 9.830 -5.617 3.910 1.00 0.00 C ATOM 659 C HIS A 39 9.806 -4.115 3.591 1.00 0.00 C ATOM 660 O HIS A 39 10.372 -3.695 2.586 1.00 0.00 O ATOM 661 CB HIS A 39 11.108 -6.046 4.647 1.00 0.00 C ATOM 662 CG HIS A 39 10.968 -7.433 5.223 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.154 -8.615 4.541 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.484 -7.739 6.466 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.762 -9.616 5.347 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.352 -9.129 6.525 1.00 0.00 N ATOM 0 H HIS A 39 10.384 -6.322 2.017 1.00 0.00 H new ATOM 0 HA HIS A 39 8.989 -5.790 4.581 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.953 -6.019 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.325 -5.338 5.447 1.00 0.00 H new ATOM 0 HD1 HIS A 39 11.523 -8.713 3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.248 -7.038 7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.776 -10.663 5.083 1.00 0.00 H new ATOM 674 N SER A 40 9.136 -3.319 4.428 1.00 0.00 N ATOM 675 CA SER A 40 8.827 -1.896 4.208 1.00 0.00 C ATOM 676 C SER A 40 10.050 -1.039 3.862 1.00 0.00 C ATOM 677 O SER A 40 10.941 -0.862 4.694 1.00 0.00 O ATOM 678 CB SER A 40 8.043 -1.308 5.387 1.00 0.00 C ATOM 679 OG SER A 40 8.832 -1.164 6.554 1.00 0.00 O ATOM 0 H SER A 40 8.776 -3.660 5.319 1.00 0.00 H new ATOM 0 HA SER A 40 8.192 -1.866 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.643 -0.335 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.191 -1.951 5.607 1.00 0.00 H new ATOM 0 HG SER A 40 9.286 -0.296 6.537 1.00 0.00 H new ATOM 685 N GLY A 41 10.080 -0.529 2.627 1.00 0.00 N ATOM 686 CA GLY A 41 11.246 0.136 2.033 1.00 0.00 C ATOM 687 C GLY A 41 12.038 -0.796 1.114 1.00 0.00 C ATOM 688 O GLY A 41 13.183 -1.125 1.406 1.00 0.00 O ATOM 0 H GLY A 41 9.278 -0.567 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.916 1.007 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.898 0.500 2.827 1.00 0.00 H new ATOM 692 N GLN A 42 11.420 -1.235 0.016 1.00 0.00 N ATOM 693 CA GLN A 42 11.981 -2.253 -0.886 1.00 0.00 C ATOM 694 C GLN A 42 12.918 -1.712 -1.981 1.00 0.00 C ATOM 695 O GLN A 42 13.937 -2.321 -2.283 1.00 0.00 O ATOM 696 CB GLN A 42 10.826 -2.967 -1.597 1.00 0.00 C ATOM 697 CG GLN A 42 9.874 -3.687 -0.641 1.00 0.00 C ATOM 698 CD GLN A 42 8.621 -4.077 -1.376 1.00 0.00 C ATOM 699 OE1 GLN A 42 8.486 -5.136 -1.960 1.00 0.00 O ATOM 700 NE2 GLN A 42 7.657 -3.212 -1.416 1.00 0.00 N ATOM 0 H GLN A 42 10.506 -0.892 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 42 12.577 -2.907 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.262 -2.238 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.235 -3.690 -2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.357 -4.573 -0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.628 -3.039 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.753 -2.319 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.803 -3.424 -1.931 1.00 0.00 H new ATOM 741 N TYR A 46 15.080 4.097 -5.380 1.00 0.00 N ATOM 742 CA TYR A 46 14.203 5.218 -5.020 1.00 0.00 C ATOM 743 C TYR A 46 14.255 5.532 -3.513 1.00 0.00 C ATOM 744 O TYR A 46 14.027 4.665 -2.674 1.00 0.00 O ATOM 745 CB TYR A 46 12.780 4.918 -5.526 1.00 0.00 C ATOM 746 CG TYR A 46 11.823 6.089 -5.381 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.301 6.417 -4.117 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.456 6.850 -6.511 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.423 7.507 -3.976 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.564 7.933 -6.379 1.00 0.00 C ATOM 751 CZ TYR A 46 10.053 8.269 -5.108 1.00 0.00 C ATOM 752 OH TYR A 46 9.237 9.347 -4.968 1.00 0.00 O ATOM 0 HA TYR A 46 14.556 6.127 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.830 4.629 -6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.381 4.064 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.575 5.831 -3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.860 6.602 -7.481 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.031 7.762 -3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.273 8.504 -7.248 1.00 0.00 H new ATOM 0 HH TYR A 46 8.387 9.064 -4.571 1.00 0.00 H new ATOM 762 N SER A 47 14.503 6.799 -3.161 1.00 0.00 N ATOM 763 CA SER A 47 14.595 7.301 -1.775 1.00 0.00 C ATOM 764 C SER A 47 13.249 7.372 -1.028 1.00 0.00 C ATOM 765 O SER A 47 12.498 8.352 -1.144 1.00 0.00 O ATOM 766 CB SER A 47 15.242 8.691 -1.739 1.00 0.00 C ATOM 767 OG SER A 47 16.497 8.692 -2.389 1.00 0.00 O ATOM 0 H SER A 47 14.651 7.533 -3.854 1.00 0.00 H new ATOM 0 HA SER A 47 15.212 6.566 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.582 9.414 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.366 9.010 -0.704 1.00 0.00 H new ATOM 0 HG SER A 47 16.884 9.591 -2.351 1.00 0.00 H new ATOM 773 N TYR A 48 12.970 6.348 -0.217 1.00 0.00 N ATOM 774 CA TYR A 48 11.993 6.379 0.884 1.00 0.00 C ATOM 775 C TYR A 48 12.481 7.288 2.041 1.00 0.00 C ATOM 776 O TYR A 48 13.599 7.807 2.017 1.00 0.00 O ATOM 777 CB TYR A 48 11.764 4.950 1.426 1.00 0.00 C ATOM 778 CG TYR A 48 11.176 3.935 0.463 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.991 3.346 -0.519 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.842 3.501 0.605 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.481 2.341 -1.354 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.345 2.450 -0.194 1.00 0.00 C ATOM 783 CZ TYR A 48 10.176 1.854 -1.169 1.00 0.00 C ATOM 784 OH TYR A 48 9.764 0.775 -1.890 1.00 0.00 O ATOM 0 H TYR A 48 13.431 5.443 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 48 11.060 6.783 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.720 4.565 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.105 5.017 2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.015 3.669 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.197 3.976 1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.096 1.938 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.331 2.102 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 48 8.839 0.556 -1.651 1.00 0.00 H new ATOM 794 N THR A 49 11.660 7.453 3.078 1.00 0.00 N ATOM 795 CA THR A 49 12.055 7.940 4.405 1.00 0.00 C ATOM 796 C THR A 49 12.847 6.896 5.186 1.00 0.00 C ATOM 797 O THR A 49 12.544 5.703 5.153 1.00 0.00 O ATOM 798 CB THR A 49 10.843 8.314 5.279 1.00 0.00 C ATOM 799 OG1 THR A 49 9.928 7.250 5.450 1.00 0.00 O ATOM 800 CG2 THR A 49 10.106 9.519 4.716 1.00 0.00 C ATOM 0 H THR A 49 10.663 7.244 3.017 1.00 0.00 H new ATOM 0 HA THR A 49 12.666 8.820 4.206 1.00 0.00 H new ATOM 0 HB THR A 49 11.257 8.557 6.258 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.051 7.513 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.256 9.757 5.356 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.782 10.373 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.751 9.291 3.711 1.00 0.00 H new ATOM 808 N ASP A 50 13.792 7.365 6.001 1.00 0.00 N ATOM 809 CA ASP A 50 14.428 6.563 7.053 1.00 0.00 C ATOM 810 C ASP A 50 13.394 5.921 8.003 1.00 0.00 C ATOM 811 O ASP A 50 13.526 4.748 8.355 1.00 0.00 O ATOM 812 CB ASP A 50 15.397 7.476 7.812 1.00 0.00 C ATOM 813 CG ASP A 50 15.901 6.831 9.098 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.805 5.964 9.054 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.389 7.186 10.183 1.00 0.00 O ATOM 0 H ASP A 50 14.143 8.321 5.951 1.00 0.00 H new ATOM 0 HA ASP A 50 14.968 5.730 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.245 7.717 7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.899 8.416 8.049 1.00 0.00 H new ATOM 820 N ALA A 51 12.341 6.667 8.362 1.00 0.00 N ATOM 821 CA ALA A 51 11.245 6.223 9.220 1.00 0.00 C ATOM 822 C ALA A 51 10.638 4.887 8.761 1.00 0.00 C ATOM 823 O ALA A 51 10.567 3.954 9.556 1.00 0.00 O ATOM 824 CB ALA A 51 10.185 7.334 9.292 1.00 0.00 C ATOM 0 H ALA A 51 12.229 7.631 8.049 1.00 0.00 H new ATOM 0 HA ALA A 51 11.642 6.035 10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.363 7.011 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.633 8.238 9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.807 7.542 8.291 1.00 0.00 H new ATOM 830 N ASN A 52 10.242 4.778 7.488 1.00 0.00 N ATOM 831 CA ASN A 52 9.718 3.556 6.866 1.00 0.00 C ATOM 832 C ASN A 52 10.758 2.429 6.790 1.00 0.00 C ATOM 833 O ASN A 52 10.454 1.274 7.083 1.00 0.00 O ATOM 834 CB ASN A 52 9.184 3.943 5.477 1.00 0.00 C ATOM 835 CG ASN A 52 8.766 2.745 4.651 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.788 2.073 4.913 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.500 2.419 3.618 1.00 0.00 N ATOM 0 H ASN A 52 10.279 5.565 6.840 1.00 0.00 H new ATOM 0 HA ASN A 52 8.917 3.148 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.332 4.612 5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.953 4.498 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.248 1.612 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.324 2.972 3.383 1.00 0.00 H new ATOM 844 N ILE A 53 12.001 2.756 6.432 1.00 0.00 N ATOM 845 CA ILE A 53 13.103 1.790 6.313 1.00 0.00 C ATOM 846 C ILE A 53 13.396 1.112 7.651 1.00 0.00 C ATOM 847 O ILE A 53 13.294 -0.109 7.758 1.00 0.00 O ATOM 848 CB ILE A 53 14.346 2.480 5.715 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.093 2.889 4.242 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.607 1.596 5.804 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.095 3.924 3.712 1.00 0.00 C ATOM 0 H ILE A 53 12.278 3.713 6.213 1.00 0.00 H new ATOM 0 HA ILE A 53 12.805 0.995 5.629 1.00 0.00 H new ATOM 0 HB ILE A 53 14.525 3.374 6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.136 1.999 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.085 3.293 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.455 2.126 5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.818 1.368 6.849 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.440 0.668 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.857 4.163 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.037 4.829 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.104 3.515 3.768 1.00 0.00 H new ATOM 863 N LYS A 54 13.679 1.893 8.702 1.00 0.00 N ATOM 864 CA LYS A 54 13.783 1.384 10.077 1.00 0.00 C ATOM 865 C LYS A 54 12.470 0.811 10.625 1.00 0.00 C ATOM 866 O LYS A 54 12.504 0.161 11.669 1.00 0.00 O ATOM 867 CB LYS A 54 14.354 2.460 11.013 1.00 0.00 C ATOM 868 CG LYS A 54 15.859 2.688 10.772 1.00 0.00 C ATOM 869 CD LYS A 54 16.586 3.157 12.045 1.00 0.00 C ATOM 870 CE LYS A 54 16.154 4.559 12.488 1.00 0.00 C ATOM 871 NZ LYS A 54 16.844 5.602 11.703 1.00 0.00 N ATOM 0 H LYS A 54 13.843 2.897 8.623 1.00 0.00 H new ATOM 0 HA LYS A 54 14.476 0.544 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.816 3.396 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.193 2.163 12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.313 1.763 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.991 3.431 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.392 2.449 12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.661 3.151 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.076 4.665 12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.373 4.692 13.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.202 6.407 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.688 5.923 12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.129 5.212 10.782 1.00 0.00 H new ATOM 885 N LYS A 55 11.329 0.979 9.937 1.00 0.00 N ATOM 886 CA LYS A 55 10.077 0.303 10.343 1.00 0.00 C ATOM 887 C LYS A 55 10.055 -1.169 9.923 1.00 0.00 C ATOM 888 O LYS A 55 9.403 -1.953 10.614 1.00 0.00 O ATOM 889 CB LYS A 55 8.822 1.073 9.876 1.00 0.00 C ATOM 890 CG LYS A 55 7.655 0.986 10.881 1.00 0.00 C ATOM 891 CD LYS A 55 6.693 -0.193 10.638 1.00 0.00 C ATOM 892 CE LYS A 55 6.297 -0.929 11.926 1.00 0.00 C ATOM 893 NZ LYS A 55 7.464 -1.637 12.509 1.00 0.00 N ATOM 0 H LYS A 55 11.243 1.567 9.108 1.00 0.00 H new ATOM 0 HA LYS A 55 10.052 0.311 11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.082 2.120 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.496 0.677 8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.064 0.904 11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.088 1.916 10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.793 0.177 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.161 -0.900 9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.899 -0.217 12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.502 -1.644 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.226 -2.639 12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.274 -1.563 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.711 -1.206 13.423 1.00 0.00 H new ATOM 907 N ASN A 56 10.785 -1.520 8.862 1.00 0.00 N ATOM 908 CA ASN A 56 11.055 -2.850 8.305 1.00 0.00 C ATOM 909 C ASN A 56 9.934 -3.887 8.534 1.00 0.00 C ATOM 910 O ASN A 56 10.132 -4.958 9.104 1.00 0.00 O ATOM 911 CB ASN A 56 12.463 -3.293 8.761 1.00 0.00 C ATOM 912 CG ASN A 56 13.176 -4.065 7.670 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.484 -5.234 7.785 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.473 -3.418 6.566 1.00 0.00 N ATOM 0 H ASN A 56 11.253 -0.801 8.311 1.00 0.00 H new ATOM 0 HA ASN A 56 11.053 -2.782 7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.052 -2.417 9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.380 -3.913 9.654 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.961 -3.898 5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.216 -2.436 6.466 1.00 0.00 H new ATOM 921 N VAL A 57 8.721 -3.536 8.114 1.00 0.00 N ATOM 922 CA VAL A 57 7.508 -4.344 8.250 1.00 0.00 C ATOM 923 C VAL A 57 7.397 -5.330 7.112 1.00 0.00 C ATOM 924 O VAL A 57 7.456 -4.936 5.956 1.00 0.00 O ATOM 925 CB VAL A 57 6.264 -3.434 8.375 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.103 -3.672 7.404 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.750 -3.587 9.804 1.00 0.00 C ATOM 0 H VAL A 57 8.547 -2.644 7.650 1.00 0.00 H new ATOM 0 HA VAL A 57 7.567 -4.928 9.168 1.00 0.00 H new ATOM 0 HB VAL A 57 6.608 -2.434 8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.304 -2.960 7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.452 -3.538 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.726 -4.687 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.868 -2.961 9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.488 -4.629 9.987 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.526 -3.280 10.505 1.00 0.00 H new ATOM 937 N LEU A 58 7.214 -6.601 7.448 1.00 0.00 N ATOM 938 CA LEU A 58 6.812 -7.655 6.525 1.00 0.00 C ATOM 939 C LEU A 58 5.378 -7.384 6.042 1.00 0.00 C ATOM 940 O LEU A 58 4.422 -7.526 6.800 1.00 0.00 O ATOM 941 CB LEU A 58 6.964 -9.011 7.232 1.00 0.00 C ATOM 942 CG LEU A 58 6.940 -10.221 6.280 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.520 -11.444 6.998 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.533 -10.596 5.805 1.00 0.00 C ATOM 0 H LEU A 58 7.346 -6.937 8.402 1.00 0.00 H new ATOM 0 HA LEU A 58 7.447 -7.674 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.902 -9.017 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.162 -9.120 7.962 1.00 0.00 H new ATOM 0 HG LEU A 58 7.528 -9.933 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.504 -12.302 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.547 -11.237 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.922 -11.664 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.591 -11.456 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.913 -10.846 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.092 -9.753 5.273 1.00 0.00 H new ATOM 956 N TRP A 59 5.227 -6.949 4.797 1.00 0.00 N ATOM 957 CA TRP A 59 3.925 -6.686 4.187 1.00 0.00 C ATOM 958 C TRP A 59 3.101 -7.972 3.977 1.00 0.00 C ATOM 959 O TRP A 59 3.279 -8.659 2.968 1.00 0.00 O ATOM 960 CB TRP A 59 4.139 -5.950 2.853 1.00 0.00 C ATOM 961 CG TRP A 59 4.666 -4.547 2.931 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.712 -4.061 2.223 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.169 -3.429 3.731 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.898 -2.727 2.533 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.011 -2.305 3.496 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.097 -3.245 4.631 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.834 -1.079 4.154 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.900 -2.022 5.294 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.778 -0.942 5.071 1.00 0.00 C ATOM 0 H TRP A 59 6.013 -6.766 4.173 1.00 0.00 H new ATOM 0 HA TRP A 59 3.348 -6.062 4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.828 -6.538 2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.188 -5.926 2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.309 -4.628 1.524 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.604 -2.130 2.102 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.414 -4.061 4.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.500 -0.252 3.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.072 -1.909 5.978 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.640 -0.012 5.603 1.00 0.00 H new ATOM 980 N ASP A 60 2.184 -8.269 4.895 1.00 0.00 N ATOM 981 CA ASP A 60 1.088 -9.228 4.700 1.00 0.00 C ATOM 982 C ASP A 60 -0.287 -8.547 4.763 1.00 0.00 C ATOM 983 O ASP A 60 -0.396 -7.341 5.003 1.00 0.00 O ATOM 984 CB ASP A 60 1.206 -10.440 5.651 1.00 0.00 C ATOM 985 CG ASP A 60 0.639 -10.269 7.072 1.00 0.00 C ATOM 986 OD1 ASP A 60 0.104 -9.188 7.409 1.00 0.00 O ATOM 987 OD2 ASP A 60 0.638 -11.273 7.822 1.00 0.00 O ATOM 0 H ASP A 60 2.178 -7.841 5.821 1.00 0.00 H new ATOM 0 HA ASP A 60 1.182 -9.627 3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.703 -11.287 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.260 -10.703 5.736 1.00 0.00 H new ATOM 992 N GLU A 61 -1.343 -9.326 4.537 1.00 0.00 N ATOM 993 CA GLU A 61 -2.734 -8.889 4.500 1.00 0.00 C ATOM 994 C GLU A 61 -3.164 -8.110 5.759 1.00 0.00 C ATOM 995 O GLU A 61 -3.803 -7.064 5.623 1.00 0.00 O ATOM 996 CB GLU A 61 -3.643 -10.112 4.260 1.00 0.00 C ATOM 997 CG GLU A 61 -3.672 -10.663 2.814 1.00 0.00 C ATOM 998 CD GLU A 61 -2.580 -11.688 2.431 1.00 0.00 C ATOM 999 OE1 GLU A 61 -1.413 -11.496 2.846 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.908 -12.626 1.664 1.00 0.00 O ATOM 0 H GLU A 61 -1.245 -10.327 4.367 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.837 -8.184 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.324 -10.913 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.660 -9.845 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.645 -11.126 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.599 -9.819 2.128 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.846 -8.581 6.973 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.256 -7.940 8.217 1.00 0.00 C ATOM 1009 C ASN A 62 -2.365 -6.735 8.578 1.00 0.00 C ATOM 1010 O ASN A 62 -2.858 -5.657 8.910 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.324 -9.014 9.317 1.00 0.00 C ATOM 1012 CG ASN A 62 -1.991 -9.656 9.683 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -1.229 -9.128 10.476 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -1.705 -10.808 9.126 1.00 0.00 N ATOM 0 H ASN A 62 -2.292 -9.426 7.113 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.249 -7.506 8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.751 -8.565 10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.010 -9.798 8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.830 -11.281 9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.357 -11.231 8.466 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.048 -6.869 8.451 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.075 -5.843 8.797 1.00 0.00 C ATOM 1023 C ASN A 63 -0.167 -4.648 7.835 1.00 0.00 C ATOM 1024 O ASN A 63 -0.062 -3.491 8.253 1.00 0.00 O ATOM 1025 CB ASN A 63 1.313 -6.513 8.775 1.00 0.00 C ATOM 1026 CG ASN A 63 2.455 -5.658 9.291 1.00 0.00 C ATOM 1027 OD1 ASN A 63 3.412 -6.127 9.877 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.446 -4.361 9.104 1.00 0.00 N ATOM 0 H ASN A 63 -0.617 -7.722 8.093 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.270 -5.434 9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.267 -7.425 9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.538 -6.811 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.220 -3.791 9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.665 -3.921 8.618 1.00 0.00 H new ATOM 1035 N MET A 64 -0.338 -4.897 6.536 1.00 0.00 N ATOM 1036 CA MET A 64 -0.603 -3.821 5.583 1.00 0.00 C ATOM 1037 C MET A 64 -1.956 -3.159 5.856 1.00 0.00 C ATOM 1038 O MET A 64 -2.105 -1.962 5.610 1.00 0.00 O ATOM 1039 CB MET A 64 -0.577 -4.378 4.161 1.00 0.00 C ATOM 1040 CG MET A 64 -0.524 -3.290 3.087 1.00 0.00 C ATOM 1041 SD MET A 64 -0.790 -3.931 1.415 1.00 0.00 S ATOM 1042 CE MET A 64 0.585 -5.116 1.352 1.00 0.00 C ATOM 0 H MET A 64 -0.298 -5.829 6.123 1.00 0.00 H new ATOM 0 HA MET A 64 0.173 -3.064 5.697 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.288 -5.031 4.050 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.463 -4.993 4.003 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.280 -2.535 3.305 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.445 -2.793 3.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.688 -5.501 0.337 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.509 -4.618 1.646 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.385 -5.942 2.035 1.00 0.00 H new ATOM 1052 N SER A 65 -2.962 -3.913 6.322 1.00 0.00 N ATOM 1053 CA SER A 65 -4.293 -3.346 6.530 1.00 0.00 C ATOM 1054 C SER A 65 -4.370 -2.333 7.671 1.00 0.00 C ATOM 1055 O SER A 65 -5.069 -1.334 7.487 1.00 0.00 O ATOM 1056 CB SER A 65 -5.406 -4.400 6.585 1.00 0.00 C ATOM 1057 OG SER A 65 -5.460 -5.108 7.792 1.00 0.00 O ATOM 0 H SER A 65 -2.878 -4.902 6.558 1.00 0.00 H new ATOM 0 HA SER A 65 -4.483 -2.765 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.365 -3.910 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.264 -5.106 5.767 1.00 0.00 H new ATOM 0 HG SER A 65 -4.550 -5.265 8.120 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.581 -2.502 8.735 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.298 -1.492 9.769 1.00 0.00 C ATOM 1065 C GLU A 66 -2.724 -0.203 9.151 1.00 0.00 C ATOM 1066 O GLU A 66 -3.327 0.871 9.192 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.315 -2.105 10.786 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.833 -1.126 11.866 1.00 0.00 C ATOM 1069 CD GLU A 66 -2.978 -0.606 12.737 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.666 0.339 12.288 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.167 -1.178 13.831 1.00 0.00 O ATOM 0 H GLU A 66 -3.099 -3.383 8.911 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.224 -1.213 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.795 -2.955 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.449 -2.491 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.096 -1.621 12.498 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.331 -0.284 11.390 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.579 -0.317 8.477 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.907 0.786 7.786 1.00 0.00 C ATOM 1080 C TYR A 67 -1.840 1.544 6.828 1.00 0.00 C ATOM 1081 O TYR A 67 -1.867 2.769 6.827 1.00 0.00 O ATOM 1082 CB TYR A 67 0.317 0.228 7.050 1.00 0.00 C ATOM 1083 CG TYR A 67 1.080 1.237 6.216 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.696 2.329 6.844 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.203 1.067 4.821 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.450 3.254 6.096 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.984 1.967 4.075 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.615 3.059 4.714 1.00 0.00 C ATOM 1089 OH TYR A 67 3.420 3.892 4.006 1.00 0.00 O ATOM 0 H TYR A 67 -1.079 -1.202 8.394 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.592 1.519 8.528 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.998 -0.203 7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.008 -0.585 6.401 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.591 2.462 7.911 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.699 0.249 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.899 4.108 6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.102 1.824 3.011 1.00 0.00 H new ATOM 0 HH TYR A 67 2.887 4.375 3.340 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.675 0.851 6.052 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.655 1.488 5.160 1.00 0.00 C ATOM 1101 C LEU A 68 -4.872 2.103 5.890 1.00 0.00 C ATOM 1102 O LEU A 68 -5.693 2.781 5.259 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.077 0.458 4.106 1.00 0.00 C ATOM 1104 CG LEU A 68 -2.950 0.004 3.163 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.457 -1.133 2.273 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.458 1.134 2.275 1.00 0.00 C ATOM 0 H LEU A 68 -2.694 -0.168 6.022 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.176 2.345 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.481 -0.417 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.884 0.880 3.508 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.118 -0.329 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.659 -1.455 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.769 -1.971 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.305 -0.783 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.663 0.767 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.283 1.503 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.075 1.944 2.896 1.00 0.00 H new ATOM 1118 N THR A 69 -5.009 1.862 7.193 1.00 0.00 N ATOM 1119 CA THR A 69 -5.986 2.479 8.107 1.00 0.00 C ATOM 1120 C THR A 69 -5.439 3.746 8.772 1.00 0.00 C ATOM 1121 O THR A 69 -6.166 4.736 8.899 1.00 0.00 O ATOM 1122 CB THR A 69 -6.482 1.480 9.155 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.954 0.333 8.490 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.643 2.003 10.004 1.00 0.00 C ATOM 0 H THR A 69 -4.408 1.192 7.673 1.00 0.00 H new ATOM 0 HA THR A 69 -6.838 2.778 7.497 1.00 0.00 H new ATOM 0 HB THR A 69 -5.638 1.283 9.816 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.202 -0.136 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.940 1.240 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.329 2.901 10.536 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.488 2.241 9.358 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.159 3.764 9.157 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.499 4.937 9.739 1.00 0.00 C ATOM 1134 C ASN A 70 -1.983 4.982 9.436 1.00 0.00 C ATOM 1135 O ASN A 70 -1.161 4.751 10.334 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.794 4.963 11.246 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.430 6.293 11.881 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.754 7.159 11.335 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -3.919 6.510 13.079 1.00 0.00 N ATOM 0 H ASN A 70 -3.545 2.954 9.072 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.903 5.837 9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.853 4.762 11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.238 4.164 11.737 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.736 7.395 13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.482 5.793 13.538 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.575 5.336 8.202 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.182 5.190 7.778 1.00 0.00 C ATOM 1148 C PRO A 71 0.725 6.116 8.579 1.00 0.00 C ATOM 1149 O PRO A 71 1.756 5.710 9.108 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.169 5.508 6.277 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.403 6.390 6.082 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.395 5.855 7.117 1.00 0.00 C ATOM 0 HA PRO A 71 0.200 4.185 7.957 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.744 6.027 5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.226 4.601 5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.175 7.442 6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.798 6.309 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.060 6.644 7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.025 5.074 6.691 1.00 0.00 H new ATOM 1160 N LYS A 72 0.274 7.362 8.722 1.00 0.00 N ATOM 1161 CA LYS A 72 0.955 8.484 9.365 1.00 0.00 C ATOM 1162 C LYS A 72 1.228 8.276 10.858 1.00 0.00 C ATOM 1163 O LYS A 72 2.119 8.934 11.389 1.00 0.00 O ATOM 1164 CB LYS A 72 0.116 9.736 9.078 1.00 0.00 C ATOM 1165 CG LYS A 72 0.918 11.042 9.194 1.00 0.00 C ATOM 1166 CD LYS A 72 0.093 12.261 8.751 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.268 12.170 7.262 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.019 13.357 6.793 1.00 0.00 N ATOM 0 H LYS A 72 -0.643 7.632 8.366 1.00 0.00 H new ATOM 0 HA LYS A 72 1.957 8.589 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.303 9.662 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.724 9.770 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.243 11.179 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.818 10.971 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.818 12.324 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.659 13.174 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.644 12.065 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.864 11.274 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.343 13.200 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.841 13.514 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.401 14.193 6.822 1.00 0.00 H new ATOM 1182 N LYS A 73 0.495 7.386 11.543 1.00 0.00 N ATOM 1183 CA LYS A 73 0.817 6.965 12.918 1.00 0.00 C ATOM 1184 C LYS A 73 1.624 5.667 12.943 1.00 0.00 C ATOM 1185 O LYS A 73 2.535 5.561 13.756 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.464 6.854 13.765 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.225 6.543 15.257 1.00 0.00 C ATOM 1188 CD LYS A 73 0.554 7.619 16.039 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.258 8.898 16.287 1.00 0.00 C ATOM 1190 NZ LYS A 73 -1.269 8.706 17.360 1.00 0.00 N ATOM 0 H LYS A 73 -0.338 6.937 11.161 1.00 0.00 H new ATOM 0 HA LYS A 73 1.449 7.734 13.362 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.017 7.790 13.687 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.097 6.074 13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.191 6.395 15.739 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.316 5.600 15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.868 7.205 16.997 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.460 7.873 15.489 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.416 9.709 16.562 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.757 9.197 15.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.798 9.590 17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.927 7.948 17.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.790 8.445 18.246 1.00 0.00 H new ATOM 1204 N TYR A 74 1.295 4.693 12.092 1.00 0.00 N ATOM 1205 CA TYR A 74 1.953 3.381 12.046 1.00 0.00 C ATOM 1206 C TYR A 74 3.434 3.442 11.638 1.00 0.00 C ATOM 1207 O TYR A 74 4.267 2.686 12.139 1.00 0.00 O ATOM 1208 CB TYR A 74 1.192 2.495 11.059 1.00 0.00 C ATOM 1209 CG TYR A 74 1.626 1.050 11.152 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.229 0.286 12.263 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.485 0.497 10.185 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.699 -1.026 12.424 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.962 -0.815 10.343 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.581 -1.573 11.471 1.00 0.00 C ATOM 1215 OH TYR A 74 3.075 -2.821 11.665 1.00 0.00 O ATOM 0 H TYR A 74 0.551 4.794 11.402 1.00 0.00 H new ATOM 0 HA TYR A 74 1.933 2.974 13.057 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.122 2.567 11.256 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.354 2.859 10.044 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.559 0.711 12.996 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.777 1.079 9.324 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.386 -1.614 13.274 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.620 -1.243 9.602 1.00 0.00 H new ATOM 0 HH TYR A 74 2.425 -3.356 12.167 1.00 0.00 H new ATOM 1225 N ILE A 75 3.750 4.380 10.747 1.00 0.00 N ATOM 1226 CA ILE A 75 5.105 4.785 10.370 1.00 0.00 C ATOM 1227 C ILE A 75 5.248 6.293 10.656 1.00 0.00 C ATOM 1228 O ILE A 75 5.063 7.112 9.754 1.00 0.00 O ATOM 1229 CB ILE A 75 5.414 4.405 8.906 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.047 2.934 8.611 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.901 4.689 8.639 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.574 2.369 7.286 1.00 0.00 C ATOM 0 H ILE A 75 3.034 4.904 10.243 1.00 0.00 H new ATOM 0 HA ILE A 75 5.847 4.251 10.963 1.00 0.00 H new ATOM 0 HB ILE A 75 4.803 5.007 8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.425 2.315 9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.961 2.842 8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.142 4.427 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.104 5.747 8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.513 4.094 9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.258 1.331 7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.176 2.955 6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.663 2.419 7.276 1.00 0.00 H new ATOM 1244 N PRO A 76 5.524 6.698 11.911 1.00 0.00 N ATOM 1245 CA PRO A 76 5.462 8.097 12.336 1.00 0.00 C ATOM 1246 C PRO A 76 6.582 8.927 11.692 1.00 0.00 C ATOM 1247 O PRO A 76 7.718 8.914 12.156 1.00 0.00 O ATOM 1248 CB PRO A 76 5.530 8.064 13.866 1.00 0.00 C ATOM 1249 CG PRO A 76 6.311 6.785 14.161 1.00 0.00 C ATOM 1250 CD PRO A 76 5.881 5.844 13.037 1.00 0.00 C ATOM 0 HA PRO A 76 4.545 8.588 12.011 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.035 8.944 14.264 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.536 8.039 14.311 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.387 6.959 14.150 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.063 6.380 15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.688 5.162 12.769 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.034 5.230 13.345 1.00 0.00 H new ATOM 1258 N GLY A 77 6.258 9.631 10.603 1.00 0.00 N ATOM 1259 CA GLY A 77 7.212 10.364 9.758 1.00 0.00 C ATOM 1260 C GLY A 77 7.239 9.931 8.286 1.00 0.00 C ATOM 1261 O GLY A 77 7.968 10.528 7.501 1.00 0.00 O ATOM 0 H GLY A 77 5.296 9.710 10.273 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.974 11.427 9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.212 10.243 10.175 1.00 0.00 H new ATOM 1265 N THR A 78 6.446 8.927 7.893 1.00 0.00 N ATOM 1266 CA THR A 78 6.301 8.465 6.498 1.00 0.00 C ATOM 1267 C THR A 78 5.993 9.588 5.500 1.00 0.00 C ATOM 1268 O THR A 78 5.201 10.493 5.773 1.00 0.00 O ATOM 1269 CB THR A 78 5.212 7.381 6.398 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.030 6.968 5.072 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.819 7.821 6.851 1.00 0.00 C ATOM 0 H THR A 78 5.871 8.397 8.548 1.00 0.00 H new ATOM 0 HA THR A 78 7.273 8.056 6.223 1.00 0.00 H new ATOM 0 HB THR A 78 5.587 6.597 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.594 6.091 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.122 6.990 6.743 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.857 8.130 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.484 8.657 6.237 1.00 0.00 H new ATOM 1279 N LYS A 79 6.537 9.472 4.280 1.00 0.00 N ATOM 1280 CA LYS A 79 6.189 10.297 3.103 1.00 0.00 C ATOM 1281 C LYS A 79 4.766 9.997 2.591 1.00 0.00 C ATOM 1282 O LYS A 79 4.215 10.801 1.837 1.00 0.00 O ATOM 1283 CB LYS A 79 7.256 10.049 2.021 1.00 0.00 C ATOM 1284 CG LYS A 79 7.433 11.022 0.846 1.00 0.00 C ATOM 1285 CD LYS A 79 8.416 10.365 -0.150 1.00 0.00 C ATOM 1286 CE LYS A 79 8.760 11.237 -1.362 1.00 0.00 C ATOM 1287 NZ LYS A 79 9.551 10.471 -2.362 1.00 0.00 N ATOM 0 H LYS A 79 7.256 8.779 4.073 1.00 0.00 H new ATOM 0 HA LYS A 79 6.183 11.352 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.218 9.985 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.055 9.066 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.475 11.222 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.821 11.979 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.337 10.116 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.986 9.427 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.843 11.604 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.326 12.110 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.420 10.995 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.801 9.541 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.986 10.341 -3.225 1.00 0.00 H new ATOM 1301 N MET A 80 4.132 8.893 3.018 1.00 0.00 N ATOM 1302 CA MET A 80 2.719 8.581 2.794 1.00 0.00 C ATOM 1303 C MET A 80 1.822 9.526 3.615 1.00 0.00 C ATOM 1304 O MET A 80 1.172 9.152 4.591 1.00 0.00 O ATOM 1305 CB MET A 80 2.460 7.084 3.060 1.00 0.00 C ATOM 1306 CG MET A 80 1.018 6.684 2.730 1.00 0.00 C ATOM 1307 SD MET A 80 0.768 4.975 2.144 1.00 0.00 S ATOM 1308 CE MET A 80 -1.011 4.830 2.406 1.00 0.00 C ATOM 0 H MET A 80 4.613 8.167 3.549 1.00 0.00 H new ATOM 0 HA MET A 80 2.458 8.756 1.750 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.148 6.485 2.463 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.668 6.860 4.106 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.409 6.833 3.622 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.639 7.366 1.968 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.380 3.932 1.910 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.217 4.765 3.474 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.512 5.705 1.993 1.00 0.00 H new ATOM 1318 N ALA A 81 1.740 10.777 3.160 1.00 0.00 N ATOM 1319 CA ALA A 81 0.960 11.872 3.729 1.00 0.00 C ATOM 1320 C ALA A 81 -0.571 11.676 3.736 1.00 0.00 C ATOM 1321 O ALA A 81 -1.304 12.577 4.147 1.00 0.00 O ATOM 1322 CB ALA A 81 1.370 13.159 3.000 1.00 0.00 C ATOM 0 H ALA A 81 2.252 11.070 2.328 1.00 0.00 H new ATOM 0 HA ALA A 81 1.195 11.920 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.805 14.000 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.436 13.336 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.161 13.056 1.935 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.049 10.507 3.323 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.443 10.062 3.301 1.00 0.00 C ATOM 1330 C PHE A 82 -3.105 10.081 4.702 1.00 0.00 C ATOM 1331 O PHE A 82 -2.436 10.170 5.736 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.439 8.662 2.655 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.782 7.994 2.400 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.793 8.648 1.669 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.999 6.674 2.840 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.011 7.993 1.404 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.206 6.013 2.558 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.215 6.674 1.844 1.00 0.00 C ATOM 0 H PHE A 82 -0.423 9.786 2.965 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.057 10.750 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.915 8.734 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.852 8.001 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.634 9.654 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.229 6.164 3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.791 8.506 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.356 4.997 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.147 6.171 1.633 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.439 9.974 4.740 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.229 9.914 5.978 1.00 0.00 C ATOM 1350 C GLY A 83 -5.594 8.494 6.423 1.00 0.00 C ATOM 1351 O GLY A 83 -6.142 8.319 7.512 1.00 0.00 O ATOM 0 H GLY A 83 -5.011 9.926 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.669 10.400 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.146 10.486 5.838 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.316 7.485 5.593 1.00 0.00 N ATOM 1356 CA GLY A 84 -5.822 6.118 5.744 1.00 0.00 C ATOM 1357 C GLY A 84 -7.295 5.986 5.332 1.00 0.00 C ATOM 1358 O GLY A 84 -8.020 6.978 5.222 1.00 0.00 O ATOM 0 H GLY A 84 -4.717 7.599 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.217 5.442 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.709 5.805 6.782 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.786 4.759 5.168 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.216 4.442 5.136 1.00 0.00 C ATOM 1364 C LEU A 85 -9.709 4.106 6.561 1.00 0.00 C ATOM 1365 O LEU A 85 -8.910 4.005 7.488 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.431 3.307 4.115 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.167 3.725 2.650 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.177 2.496 1.740 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.219 4.713 2.136 1.00 0.00 C ATOM 0 H LEU A 85 -7.190 3.939 5.051 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.814 5.293 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.775 2.474 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.455 2.944 4.200 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.191 4.210 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.990 2.804 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.400 1.801 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.149 2.006 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.994 4.979 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.206 4.252 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.207 5.611 2.753 1.00 0.00 H new ATOM 1381 N LYS A 86 -11.032 4.020 6.767 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.640 3.696 8.082 1.00 0.00 C ATOM 1383 C LYS A 86 -12.825 2.724 8.028 1.00 0.00 C ATOM 1384 O LYS A 86 -12.936 1.866 8.898 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.047 4.963 8.862 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.882 5.772 9.469 1.00 0.00 C ATOM 1387 CD LYS A 86 -10.510 7.068 8.719 1.00 0.00 C ATOM 1388 CE LYS A 86 -9.161 7.065 7.991 1.00 0.00 C ATOM 1389 NZ LYS A 86 -8.014 6.760 8.873 1.00 0.00 N ATOM 0 H LYS A 86 -11.719 4.172 6.029 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.840 3.178 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.610 5.615 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.722 4.672 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.138 6.029 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.001 5.132 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.292 7.278 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.511 7.890 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.194 6.332 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.004 8.040 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.227 7.403 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.297 6.885 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.711 5.777 8.721 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.700 2.805 7.016 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.716 1.760 6.790 1.00 0.00 C ATOM 1405 C LYS A 87 -14.024 0.438 6.427 1.00 0.00 C ATOM 1406 O LYS A 87 -13.246 0.388 5.473 1.00 0.00 O ATOM 1407 CB LYS A 87 -15.714 2.147 5.690 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.528 3.425 5.971 1.00 0.00 C ATOM 1409 CD LYS A 87 -17.934 3.424 5.332 1.00 0.00 C ATOM 1410 CE LYS A 87 -18.018 2.894 3.890 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.193 3.665 2.935 1.00 0.00 N ATOM 0 H LYS A 87 -13.728 3.573 6.346 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.282 1.645 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.169 2.279 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.406 1.319 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.630 3.550 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.972 4.287 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.595 2.825 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.319 4.444 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.701 1.851 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.057 2.916 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.813 4.205 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.578 4.321 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.607 3.012 2.377 1.00 0.00 H new ATOM 1425 N GLU A 88 -14.310 -0.626 7.178 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.647 -1.937 7.038 1.00 0.00 C ATOM 1427 C GLU A 88 -13.872 -2.595 5.666 1.00 0.00 C ATOM 1428 O GLU A 88 -12.977 -3.227 5.116 1.00 0.00 O ATOM 1429 CB GLU A 88 -14.112 -2.873 8.168 1.00 0.00 C ATOM 1430 CG GLU A 88 -13.155 -4.070 8.327 1.00 0.00 C ATOM 1431 CD GLU A 88 -13.355 -4.917 9.595 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -13.938 -4.450 10.606 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.818 -6.043 9.653 1.00 0.00 O ATOM 0 H GLU A 88 -15.017 -0.608 7.913 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.574 -1.761 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.164 -2.319 9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.118 -3.234 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.265 -4.718 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.131 -3.697 8.319 1.00 0.00 H new ATOM 1440 N LYS A 89 -15.057 -2.402 5.078 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.417 -2.868 3.736 1.00 0.00 C ATOM 1442 C LYS A 89 -14.405 -2.391 2.698 1.00 0.00 C ATOM 1443 O LYS A 89 -13.748 -3.202 2.057 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.843 -2.428 3.384 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.865 -2.807 4.464 1.00 0.00 C ATOM 1446 CD LYS A 89 -19.249 -3.190 3.915 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.951 -2.016 3.216 1.00 0.00 C ATOM 1448 NZ LYS A 89 -21.342 -2.364 2.821 1.00 0.00 N ATOM 0 H LYS A 89 -15.816 -1.901 5.539 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.392 -3.958 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.860 -1.348 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.136 -2.883 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.472 -3.643 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.978 -1.969 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.141 -4.015 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.874 -3.548 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.967 -1.153 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.383 -1.727 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.784 -1.548 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.325 -3.172 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.891 -2.616 3.668 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.258 -1.074 2.611 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.360 -0.332 1.739 1.00 0.00 C ATOM 1464 C ASP A 90 -11.918 -0.822 1.916 1.00 0.00 C ATOM 1465 O ASP A 90 -11.221 -1.102 0.941 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.431 1.167 2.092 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.797 1.863 2.046 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.813 1.299 2.516 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -14.865 3.064 1.695 1.00 0.00 O ATOM 0 H ASP A 90 -14.810 -0.448 3.197 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.664 -0.489 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.029 1.291 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.764 1.700 1.414 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.483 -0.982 3.173 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.197 -1.599 3.512 1.00 0.00 C ATOM 1476 C ARG A 91 -10.047 -2.996 2.901 1.00 0.00 C ATOM 1477 O ARG A 91 -9.044 -3.249 2.229 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.970 -1.609 5.044 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.547 -0.251 5.639 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.024 -0.014 5.629 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.451 -0.092 4.268 1.00 0.00 N ATOM 1482 CZ ARG A 91 -6.908 -1.154 3.704 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -6.451 -2.132 4.421 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.822 -1.257 2.412 1.00 0.00 N ATOM 0 H ARG A 91 -12.019 -0.684 3.988 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.414 -0.984 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.889 -1.934 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.205 -2.348 5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.033 0.548 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.909 -0.186 6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.809 0.966 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.540 -0.753 6.267 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.478 0.761 3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.508 -2.088 5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.034 -2.945 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.177 -0.509 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.399 -2.085 1.993 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.007 -3.887 3.134 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.876 -5.308 2.806 1.00 0.00 C ATOM 1500 C ASN A 92 -11.126 -5.661 1.323 1.00 0.00 C ATOM 1501 O ASN A 92 -10.451 -6.541 0.787 1.00 0.00 O ATOM 1502 CB ASN A 92 -11.646 -6.137 3.849 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.779 -6.998 3.341 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -12.730 -8.209 3.457 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -13.844 -6.422 2.839 1.00 0.00 N ATOM 0 H ASN A 92 -11.903 -3.645 3.558 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.827 -5.592 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.933 -6.783 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.049 -5.452 4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.639 -6.989 2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.878 -5.407 2.745 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.967 -4.892 0.628 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.020 -4.851 -0.843 1.00 0.00 C ATOM 1514 C ASP A 93 -10.636 -4.532 -1.430 1.00 0.00 C ATOM 1515 O ASP A 93 -10.142 -5.265 -2.290 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.035 -3.799 -1.329 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.441 -4.341 -1.589 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.585 -5.372 -2.287 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.427 -3.656 -1.231 1.00 0.00 O ATOM 0 H ASP A 93 -12.642 -4.270 1.073 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.337 -5.836 -1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.098 -3.004 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.659 -3.348 -2.247 1.00 0.00 H new ATOM 1524 N LEU A 94 -9.981 -3.469 -0.939 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.637 -3.076 -1.374 1.00 0.00 C ATOM 1526 C LEU A 94 -7.587 -4.181 -1.192 1.00 0.00 C ATOM 1527 O LEU A 94 -6.775 -4.373 -2.091 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.167 -1.820 -0.625 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.523 -0.785 -1.557 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -8.612 0.060 -2.204 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.624 0.150 -0.749 1.00 0.00 C ATOM 0 H LEU A 94 -10.374 -2.856 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.724 -2.875 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.017 -1.366 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.450 -2.107 0.144 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.941 -1.309 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.156 0.796 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.278 -0.583 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.183 0.573 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.169 0.883 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.219 0.665 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.842 -0.430 -0.260 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.583 -4.889 -0.051 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.696 -6.047 0.185 1.00 0.00 C ATOM 1545 C ILE A 95 -6.936 -7.101 -0.898 1.00 0.00 C ATOM 1546 O ILE A 95 -6.007 -7.474 -1.609 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.897 -6.665 1.592 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.628 -5.650 2.726 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.976 -7.883 1.796 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.192 -6.112 4.075 1.00 0.00 C ATOM 0 H ILE A 95 -8.195 -4.677 0.737 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.666 -5.694 0.138 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.942 -6.972 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.554 -5.492 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.070 -4.689 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.137 -8.298 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.203 -8.641 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.936 -7.573 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.975 -5.362 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.271 -6.244 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.731 -7.059 4.357 1.00 0.00 H new ATOM 1562 N THR A 96 -8.183 -7.559 -1.034 1.00 0.00 N ATOM 1563 CA THR A 96 -8.566 -8.627 -1.965 1.00 0.00 C ATOM 1564 C THR A 96 -8.120 -8.329 -3.407 1.00 0.00 C ATOM 1565 O THR A 96 -7.636 -9.210 -4.116 1.00 0.00 O ATOM 1566 CB THR A 96 -10.076 -8.890 -1.824 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.291 -10.239 -1.500 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.936 -8.618 -3.048 1.00 0.00 C ATOM 0 H THR A 96 -8.967 -7.194 -0.493 1.00 0.00 H new ATOM 0 HA THR A 96 -8.039 -9.546 -1.706 1.00 0.00 H new ATOM 0 HB THR A 96 -10.380 -8.182 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.253 -10.404 -1.409 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.978 -8.842 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.845 -7.569 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.603 -9.247 -3.874 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.226 -7.063 -3.826 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.646 -6.538 -5.061 1.00 0.00 C ATOM 1578 C TYR A 97 -6.115 -6.618 -5.077 1.00 0.00 C ATOM 1579 O TYR A 97 -5.549 -7.324 -5.907 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.114 -5.093 -5.275 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.247 -4.290 -6.230 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.084 -4.717 -7.561 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.521 -3.177 -5.757 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.188 -4.050 -8.419 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.627 -2.507 -6.615 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.453 -2.940 -7.945 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.555 -2.312 -8.747 1.00 0.00 O ATOM 0 H TYR A 97 -8.735 -6.355 -3.296 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.996 -7.165 -5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.136 -5.107 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.139 -4.585 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.649 -5.561 -7.927 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.650 -2.839 -4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.063 -4.386 -9.438 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.071 -1.656 -6.251 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.572 -1.349 -8.566 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.428 -5.882 -4.201 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.985 -5.658 -4.318 1.00 0.00 C ATOM 1599 C LEU A 98 -3.159 -6.939 -4.184 1.00 0.00 C ATOM 1600 O LEU A 98 -2.117 -7.077 -4.818 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.571 -4.591 -3.288 1.00 0.00 C ATOM 1602 CG LEU A 98 -3.036 -3.315 -3.957 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.268 -2.106 -3.059 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.538 -3.434 -4.215 1.00 0.00 C ATOM 0 H LEU A 98 -5.854 -5.426 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.773 -5.300 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.428 -4.340 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.806 -5.002 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.568 -3.188 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.883 -1.211 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.336 -1.989 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.751 -2.252 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.177 -2.521 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.017 -3.583 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.348 -4.283 -4.871 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.683 -7.906 -3.429 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.186 -9.284 -3.366 1.00 0.00 C ATOM 1618 C LYS A 99 -3.312 -9.979 -4.731 1.00 0.00 C ATOM 1619 O LYS A 99 -2.314 -10.434 -5.275 1.00 0.00 O ATOM 1620 CB LYS A 99 -3.894 -10.013 -2.202 1.00 0.00 C ATOM 1621 CG LYS A 99 -2.964 -10.933 -1.406 1.00 0.00 C ATOM 1622 CD LYS A 99 -2.710 -12.278 -2.083 1.00 0.00 C ATOM 1623 CE LYS A 99 -1.649 -13.030 -1.279 1.00 0.00 C ATOM 1624 NZ LYS A 99 -1.495 -14.410 -1.773 1.00 0.00 N ATOM 0 H LYS A 99 -4.490 -7.748 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.118 -9.303 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.325 -9.273 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.721 -10.601 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.011 -10.427 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.395 -11.107 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.631 -12.858 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.373 -12.129 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.696 -12.506 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.928 -13.046 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.489 -14.674 -1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.032 -15.059 -1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.855 -14.472 -2.747 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.495 -9.943 -5.361 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.774 -10.458 -6.728 1.00 0.00 C ATOM 1640 C LYS A 100 -4.035 -9.711 -7.849 1.00 0.00 C ATOM 1641 O LYS A 100 -3.959 -10.181 -8.980 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.293 -10.411 -6.957 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.855 -11.217 -8.148 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.481 -12.710 -8.155 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.269 -12.982 -9.056 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.646 -14.285 -8.764 1.00 0.00 N ATOM 0 H LYS A 100 -5.323 -9.540 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.396 -11.479 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.782 -10.765 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.582 -9.368 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.941 -11.130 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.500 -10.764 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.260 -13.036 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.332 -13.298 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.580 -12.955 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.532 -12.190 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.703 -14.324 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.557 -14.404 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.238 -15.047 -9.151 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.511 -8.537 -7.529 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.676 -7.707 -8.391 1.00 0.00 C ATOM 1662 C ALA A 101 -1.179 -8.076 -8.333 1.00 0.00 C ATOM 1663 O ALA A 101 -0.413 -7.566 -9.153 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.924 -6.232 -8.058 1.00 0.00 C ATOM 0 H ALA A 101 -3.664 -8.114 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.965 -7.896 -9.425 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.303 -5.605 -8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.974 -5.993 -8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.671 -6.047 -7.014 1.00 0.00 H new ATOM 1670 N THR A 102 -0.753 -8.949 -7.411 1.00 0.00 N ATOM 1671 CA THR A 102 0.612 -9.504 -7.346 1.00 0.00 C ATOM 1672 C THR A 102 0.663 -11.043 -7.315 1.00 0.00 C ATOM 1673 O THR A 102 1.713 -11.603 -7.617 1.00 0.00 O ATOM 1674 CB THR A 102 1.391 -8.903 -6.173 1.00 0.00 C ATOM 1675 OG1 THR A 102 2.739 -9.286 -6.240 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.880 -9.299 -4.794 1.00 0.00 C ATOM 0 H THR A 102 -1.360 -9.300 -6.670 1.00 0.00 H new ATOM 0 HA THR A 102 1.094 -9.214 -8.280 1.00 0.00 H new ATOM 0 HB THR A 102 1.256 -7.827 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.822 -10.097 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.494 -8.825 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.154 -8.974 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.934 -10.382 -4.683 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.444 -11.721 -6.979 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.624 -13.186 -6.947 1.00 0.00 C ATOM 1686 C GLU A 103 -1.988 -13.612 -7.491 1.00 0.00 C ATOM 1687 O GLU A 103 -2.035 -14.170 -8.609 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.489 -13.726 -5.517 1.00 0.00 C ATOM 1689 CG GLU A 103 0.912 -13.625 -4.907 1.00 0.00 C ATOM 1690 CD GLU A 103 0.897 -14.229 -3.493 1.00 0.00 C ATOM 1691 OE1 GLU A 103 0.435 -15.382 -3.326 1.00 0.00 O ATOM 1692 OE2 GLU A 103 1.141 -13.504 -2.506 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.028 -13.412 -6.815 1.00 0.00 O ATOM 0 H GLU A 103 -1.295 -11.231 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 103 0.158 -13.601 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.186 -13.187 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -0.795 -14.772 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.632 -14.153 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.229 -12.583 -4.866 1.00 0.00 H new