USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1104 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 63 CYS SG : rot -51:sc= -0.585 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -177:sc= 2.12 (180deg=2.02) USER MOD Set 2.1: A 10 MET CE :methyl -117:sc= -0.679 (180deg=-0.712) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -0.553 X(o=-1.2,f=-1.6) USER MOD Set 3.1: A 39 THR OG1 : rot 78:sc= 0.446 USER MOD Set 3.2: A 77 SER OG : rot -99:sc= 1.19 USER MOD Set 4.1: A 24 ASN : amide:sc= 1.03 K(o=1.7,f=-6.6!) USER MOD Set 4.2: A 64 LYS NZ :NH3+ -175:sc= 0.678 (180deg=0) USER MOD Set 5.1: A 17 ASN : amide:sc= -0.439 X(o=-0.42,f=0) USER MOD Set 5.2: A 55 SER OG : rot -143:sc= 0.0148 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 74:sc= 0.792 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 69:sc= 1.08 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -6.58! (180deg=-6.8!) USER MOD Single : A 35 MET CE :methyl 165:sc= -2.58! (180deg=-3.42!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= -0.0761 (180deg=-0.375) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.35) USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= -0.0281 (180deg=-0.903) USER MOD Single : A 67 TYR OH : rot -70:sc= 0.204 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.798 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.889 F(o=-2,f=-0.89) USER MOD Single : A 82 SER OG : rot 126:sc= 1.27 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.0421 F(o=-0.76,f=-0.042) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.817 F(o=-1.8!,f=-0.82) USER MOD Single : A 98 SER OG : rot -39:sc= 0.998 USER MOD Single : A 99 ASN : amide:sc= -0.359 K(o=-0.36,f=-1.6!) USER MOD Single : A 100 ASN : amide:sc= 0.398 K(o=0.4,f=-3.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 150:sc= -0.866 USER MOD Single : A 106 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.5) USER MOD Single : A 107 ASN : amide:sc= -0.756 K(o=-0.76,f=-1.6) USER MOD Single : A 109 TYR OH : rot -153:sc= 1 USER MOD Single : A 111 CYS SG : rot -83:sc= 0.608 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= 0.202 K(o=0.2,f=-0.4) USER MOD Single : A 143 MET CE :methyl -167:sc= -2.51 (180deg=-3.63) USER MOD ----------------------------------------------------------------- ATOM 92 N MET A 10 -16.730 11.807 2.246 1.00 0.00 N ATOM 93 CA MET A 10 -15.544 11.010 1.955 1.00 0.00 C ATOM 94 C MET A 10 -15.914 9.744 1.189 1.00 0.00 C ATOM 95 O MET A 10 -15.373 8.670 1.450 1.00 0.00 O ATOM 96 CB MET A 10 -14.820 10.642 3.252 1.00 0.00 C ATOM 97 CG MET A 10 -14.363 11.848 4.056 1.00 0.00 C ATOM 98 SD MET A 10 -13.396 11.390 5.507 1.00 0.00 S ATOM 99 CE MET A 10 -11.855 10.890 4.743 1.00 0.00 C ATOM 0 HA MET A 10 -14.878 11.608 1.333 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.483 10.035 3.869 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.953 10.026 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.767 12.500 3.418 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.235 12.421 4.371 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.675 9.834 4.944 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.914 11.049 3.666 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.037 11.482 5.153 1.00 0.00 H new ATOM 109 N GLU A 11 -16.838 9.879 0.243 1.00 0.00 N ATOM 110 CA GLU A 11 -17.280 8.745 -0.560 1.00 0.00 C ATOM 111 C GLU A 11 -16.137 8.205 -1.414 1.00 0.00 C ATOM 112 O GLU A 11 -15.978 6.993 -1.564 1.00 0.00 O ATOM 113 CB GLU A 11 -18.452 9.151 -1.455 1.00 0.00 C ATOM 114 CG GLU A 11 -19.069 7.989 -2.215 1.00 0.00 C ATOM 115 CD GLU A 11 -20.384 8.355 -2.876 1.00 0.00 C ATOM 116 OE1 GLU A 11 -21.064 9.274 -2.374 1.00 0.00 O ATOM 117 OE2 GLU A 11 -20.732 7.723 -3.895 1.00 0.00 O ATOM 0 H GLU A 11 -17.295 10.762 0.014 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.607 7.957 0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.220 9.622 -0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.110 9.900 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.368 7.644 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.231 7.157 -1.530 1.00 0.00 H new ATOM 124 N ALA A 12 -15.343 9.113 -1.972 1.00 0.00 N ATOM 125 CA ALA A 12 -14.213 8.728 -2.810 1.00 0.00 C ATOM 126 C ALA A 12 -13.282 7.773 -2.071 1.00 0.00 C ATOM 127 O ALA A 12 -12.855 6.758 -2.620 1.00 0.00 O ATOM 128 CB ALA A 12 -13.452 9.963 -3.267 1.00 0.00 C ATOM 0 H ALA A 12 -15.461 10.120 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.601 8.209 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.611 9.662 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.117 10.609 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.082 10.505 -2.397 1.00 0.00 H new ATOM 134 N VAL A 13 -12.969 8.106 -0.822 1.00 0.00 N ATOM 135 CA VAL A 13 -12.088 7.278 -0.008 1.00 0.00 C ATOM 136 C VAL A 13 -12.664 5.878 0.175 1.00 0.00 C ATOM 137 O VAL A 13 -12.134 4.902 -0.357 1.00 0.00 O ATOM 138 CB VAL A 13 -11.848 7.907 1.377 1.00 0.00 C ATOM 139 CG1 VAL A 13 -11.057 6.959 2.265 1.00 0.00 C ATOM 140 CG2 VAL A 13 -11.132 9.242 1.238 1.00 0.00 C ATOM 0 H VAL A 13 -13.313 8.944 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.138 7.211 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.815 8.086 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.897 7.421 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.612 6.030 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.093 6.746 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.970 9.673 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.171 9.090 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.741 9.921 0.641 1.00 0.00 H new ATOM 150 N LYS A 14 -13.753 5.787 0.930 1.00 0.00 N ATOM 151 CA LYS A 14 -14.404 4.507 1.183 1.00 0.00 C ATOM 152 C LYS A 14 -14.309 3.597 -0.037 1.00 0.00 C ATOM 153 O LYS A 14 -14.074 2.394 0.088 1.00 0.00 O ATOM 154 CB LYS A 14 -15.872 4.723 1.558 1.00 0.00 C ATOM 155 CG LYS A 14 -16.065 5.602 2.781 1.00 0.00 C ATOM 156 CD LYS A 14 -17.391 6.342 2.733 1.00 0.00 C ATOM 157 CE LYS A 14 -17.511 7.345 3.870 1.00 0.00 C ATOM 158 NZ LYS A 14 -17.835 6.681 5.163 1.00 0.00 N ATOM 0 H LYS A 14 -14.204 6.585 1.378 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.890 4.025 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.392 5.173 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.338 3.755 1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.022 4.989 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.248 6.321 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.486 6.860 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.211 5.626 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.576 7.896 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.286 8.073 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.908 7.398 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.740 6.176 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.083 6.004 5.404 1.00 0.00 H new ATOM 172 N THR A 15 -14.491 4.178 -1.219 1.00 0.00 N ATOM 173 CA THR A 15 -14.425 3.420 -2.462 1.00 0.00 C ATOM 174 C THR A 15 -13.047 2.797 -2.653 1.00 0.00 C ATOM 175 O THR A 15 -12.928 1.605 -2.938 1.00 0.00 O ATOM 176 CB THR A 15 -14.747 4.308 -3.679 1.00 0.00 C ATOM 177 OG1 THR A 15 -16.050 4.884 -3.534 1.00 0.00 O ATOM 178 CG2 THR A 15 -14.684 3.503 -4.968 1.00 0.00 C ATOM 0 H THR A 15 -14.685 5.172 -1.341 1.00 0.00 H new ATOM 0 HA THR A 15 -15.172 2.629 -2.390 1.00 0.00 H new ATOM 0 HB THR A 15 -14.002 5.102 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 15 -16.019 5.598 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.915 4.151 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.683 3.090 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.409 2.690 -4.925 1.00 0.00 H new ATOM 186 N PHE A 16 -12.007 3.609 -2.494 1.00 0.00 N ATOM 187 CA PHE A 16 -10.637 3.137 -2.649 1.00 0.00 C ATOM 188 C PHE A 16 -10.277 2.141 -1.550 1.00 0.00 C ATOM 189 O PHE A 16 -9.548 1.178 -1.785 1.00 0.00 O ATOM 190 CB PHE A 16 -9.662 4.316 -2.624 1.00 0.00 C ATOM 191 CG PHE A 16 -8.219 3.900 -2.595 1.00 0.00 C ATOM 192 CD1 PHE A 16 -7.604 3.567 -1.399 1.00 0.00 C ATOM 193 CD2 PHE A 16 -7.477 3.844 -3.764 1.00 0.00 C ATOM 194 CE1 PHE A 16 -6.276 3.184 -1.368 1.00 0.00 C ATOM 195 CE2 PHE A 16 -6.149 3.461 -3.740 1.00 0.00 C ATOM 196 CZ PHE A 16 -5.548 3.132 -2.540 1.00 0.00 C ATOM 0 H PHE A 16 -12.088 4.598 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.560 2.632 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.835 4.939 -3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.872 4.932 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.169 3.607 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.941 4.102 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.809 2.926 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.582 3.419 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.510 2.835 -2.519 1.00 0.00 H new ATOM 206 N ASN A 17 -10.792 2.383 -0.349 1.00 0.00 N ATOM 207 CA ASN A 17 -10.525 1.509 0.787 1.00 0.00 C ATOM 208 C ASN A 17 -10.916 0.069 0.470 1.00 0.00 C ATOM 209 O ASN A 17 -10.414 -0.872 1.086 1.00 0.00 O ATOM 210 CB ASN A 17 -11.286 1.995 2.022 1.00 0.00 C ATOM 211 CG ASN A 17 -10.472 2.963 2.859 1.00 0.00 C ATOM 212 OD1 ASN A 17 -10.272 2.750 4.055 1.00 0.00 O ATOM 213 ND2 ASN A 17 -9.997 4.033 2.232 1.00 0.00 N ATOM 0 H ASN A 17 -11.396 3.177 -0.138 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.455 1.540 0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.211 2.479 1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.567 1.137 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.441 4.719 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.188 4.169 1.239 1.00 0.00 H new ATOM 220 N SER A 18 -11.815 -0.096 -0.495 1.00 0.00 N ATOM 221 CA SER A 18 -12.276 -1.421 -0.893 1.00 0.00 C ATOM 222 C SER A 18 -11.357 -2.020 -1.953 1.00 0.00 C ATOM 223 O SER A 18 -10.972 -3.186 -1.867 1.00 0.00 O ATOM 224 CB SER A 18 -13.708 -1.347 -1.426 1.00 0.00 C ATOM 225 OG SER A 18 -14.613 -0.960 -0.406 1.00 0.00 O ATOM 0 H SER A 18 -12.239 0.672 -1.016 1.00 0.00 H new ATOM 0 HA SER A 18 -12.256 -2.065 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.757 -0.634 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.001 -2.317 -1.827 1.00 0.00 H new ATOM 0 HG SER A 18 -15.521 -0.918 -0.773 1.00 0.00 H new ATOM 231 N GLU A 19 -11.012 -1.215 -2.952 1.00 0.00 N ATOM 232 CA GLU A 19 -10.139 -1.666 -4.029 1.00 0.00 C ATOM 233 C GLU A 19 -8.739 -1.972 -3.504 1.00 0.00 C ATOM 234 O GLU A 19 -8.078 -2.901 -3.970 1.00 0.00 O ATOM 235 CB GLU A 19 -10.062 -0.606 -5.131 1.00 0.00 C ATOM 236 CG GLU A 19 -11.419 -0.075 -5.561 1.00 0.00 C ATOM 237 CD GLU A 19 -12.241 -1.110 -6.304 1.00 0.00 C ATOM 238 OE1 GLU A 19 -11.785 -1.576 -7.369 1.00 0.00 O ATOM 239 OE2 GLU A 19 -13.340 -1.454 -5.822 1.00 0.00 O ATOM 0 H GLU A 19 -11.323 -0.248 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.560 -2.582 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.450 0.226 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.556 -1.031 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.970 0.258 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.278 0.798 -6.199 1.00 0.00 H new ATOM 246 N LEU A 20 -8.294 -1.185 -2.531 1.00 0.00 N ATOM 247 CA LEU A 20 -6.972 -1.370 -1.941 1.00 0.00 C ATOM 248 C LEU A 20 -6.839 -2.761 -1.330 1.00 0.00 C ATOM 249 O LEU A 20 -5.971 -3.541 -1.722 1.00 0.00 O ATOM 250 CB LEU A 20 -6.715 -0.305 -0.874 1.00 0.00 C ATOM 251 CG LEU A 20 -5.263 -0.146 -0.421 1.00 0.00 C ATOM 252 CD1 LEU A 20 -4.915 -1.188 0.630 1.00 0.00 C ATOM 253 CD2 LEU A 20 -4.319 -0.249 -1.610 1.00 0.00 C ATOM 0 H LEU A 20 -8.829 -0.413 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.230 -1.269 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.063 0.655 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.324 -0.540 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.147 0.842 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.878 -1.059 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.570 -1.067 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.047 -2.186 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.290 -0.134 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.437 -1.223 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.553 0.536 -2.329 1.00 0.00 H new ATOM 265 N TYR A 21 -7.706 -3.065 -0.371 1.00 0.00 N ATOM 266 CA TYR A 21 -7.685 -4.363 0.294 1.00 0.00 C ATOM 267 C TYR A 21 -8.222 -5.455 -0.625 1.00 0.00 C ATOM 268 O TYR A 21 -7.817 -6.614 -0.533 1.00 0.00 O ATOM 269 CB TYR A 21 -8.510 -4.313 1.581 1.00 0.00 C ATOM 270 CG TYR A 21 -7.836 -3.557 2.704 1.00 0.00 C ATOM 271 CD1 TYR A 21 -7.725 -2.172 2.667 1.00 0.00 C ATOM 272 CD2 TYR A 21 -7.309 -4.227 3.801 1.00 0.00 C ATOM 273 CE1 TYR A 21 -7.110 -1.477 3.690 1.00 0.00 C ATOM 274 CE2 TYR A 21 -6.693 -3.540 4.829 1.00 0.00 C ATOM 275 CZ TYR A 21 -6.595 -2.165 4.769 1.00 0.00 C ATOM 276 OH TYR A 21 -5.981 -1.478 5.790 1.00 0.00 O ATOM 0 H TYR A 21 -8.432 -2.431 -0.037 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.650 -4.599 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.472 -3.848 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.714 -5.331 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.127 -1.630 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.382 -5.303 3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.033 -0.401 3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.290 -4.076 5.675 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.675 -2.111 6.473 1.00 0.00 H new ATOM 286 N SER A 22 -9.136 -5.076 -1.513 1.00 0.00 N ATOM 287 CA SER A 22 -9.732 -6.023 -2.448 1.00 0.00 C ATOM 288 C SER A 22 -8.672 -6.956 -3.026 1.00 0.00 C ATOM 289 O SER A 22 -8.970 -8.083 -3.423 1.00 0.00 O ATOM 290 CB SER A 22 -10.442 -5.277 -3.579 1.00 0.00 C ATOM 291 OG SER A 22 -11.798 -5.026 -3.252 1.00 0.00 O ATOM 0 H SER A 22 -9.480 -4.120 -1.604 1.00 0.00 H new ATOM 0 HA SER A 22 -10.461 -6.623 -1.904 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.931 -4.334 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.388 -5.864 -4.496 1.00 0.00 H new ATOM 0 HG SER A 22 -11.844 -4.362 -2.533 1.00 0.00 H new ATOM 297 N LEU A 23 -7.433 -6.478 -3.070 1.00 0.00 N ATOM 298 CA LEU A 23 -6.327 -7.268 -3.600 1.00 0.00 C ATOM 299 C LEU A 23 -6.380 -8.699 -3.075 1.00 0.00 C ATOM 300 O LEU A 23 -6.029 -9.643 -3.782 1.00 0.00 O ATOM 301 CB LEU A 23 -4.990 -6.625 -3.226 1.00 0.00 C ATOM 302 CG LEU A 23 -4.513 -5.492 -4.135 1.00 0.00 C ATOM 303 CD1 LEU A 23 -3.176 -4.950 -3.655 1.00 0.00 C ATOM 304 CD2 LEU A 23 -4.409 -5.972 -5.575 1.00 0.00 C ATOM 0 H LEU A 23 -7.169 -5.548 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.419 -7.295 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.066 -6.240 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.226 -7.402 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.245 -4.686 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.852 -4.144 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.282 -4.568 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.434 -5.749 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.068 -5.153 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.698 -6.796 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.387 -6.312 -5.917 1.00 0.00 H new ATOM 316 N ASN A 24 -6.823 -8.852 -1.831 1.00 0.00 N ATOM 317 CA ASN A 24 -6.923 -10.169 -1.212 1.00 0.00 C ATOM 318 C ASN A 24 -7.628 -11.154 -2.140 1.00 0.00 C ATOM 319 O ASN A 24 -7.240 -12.318 -2.236 1.00 0.00 O ATOM 320 CB ASN A 24 -7.676 -10.074 0.117 1.00 0.00 C ATOM 321 CG ASN A 24 -6.775 -9.659 1.263 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.408 -10.477 2.107 1.00 0.00 O ATOM 323 ND2 ASN A 24 -6.415 -8.381 1.299 1.00 0.00 N ATOM 0 H ASN A 24 -7.118 -8.081 -1.232 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.913 -10.533 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.490 -9.356 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.128 -11.039 0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.810 -8.042 2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.743 -7.738 0.578 1.00 0.00 H new ATOM 330 N ASP A 25 -8.665 -10.678 -2.821 1.00 0.00 N ATOM 331 CA ASP A 25 -9.424 -11.515 -3.743 1.00 0.00 C ATOM 332 C ASP A 25 -8.517 -12.088 -4.828 1.00 0.00 C ATOM 333 O ASP A 25 -8.719 -13.211 -5.290 1.00 0.00 O ATOM 334 CB ASP A 25 -10.558 -10.711 -4.380 1.00 0.00 C ATOM 335 CG ASP A 25 -11.639 -10.344 -3.382 1.00 0.00 C ATOM 336 OD1 ASP A 25 -11.496 -9.302 -2.709 1.00 0.00 O ATOM 337 OD2 ASP A 25 -12.628 -11.098 -3.275 1.00 0.00 O ATOM 0 H ASP A 25 -8.999 -9.717 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.851 -12.343 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.151 -9.801 -4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.998 -11.290 -5.192 1.00 0.00 H new ATOM 342 N TYR A 26 -7.520 -11.309 -5.230 1.00 0.00 N ATOM 343 CA TYR A 26 -6.584 -11.737 -6.263 1.00 0.00 C ATOM 344 C TYR A 26 -5.214 -12.041 -5.666 1.00 0.00 C ATOM 345 O TYR A 26 -4.655 -11.234 -4.922 1.00 0.00 O ATOM 346 CB TYR A 26 -6.455 -10.660 -7.342 1.00 0.00 C ATOM 347 CG TYR A 26 -7.766 -9.991 -7.688 1.00 0.00 C ATOM 348 CD1 TYR A 26 -8.265 -8.952 -6.912 1.00 0.00 C ATOM 349 CD2 TYR A 26 -8.505 -10.396 -8.793 1.00 0.00 C ATOM 350 CE1 TYR A 26 -9.462 -8.338 -7.225 1.00 0.00 C ATOM 351 CE2 TYR A 26 -9.703 -9.787 -9.114 1.00 0.00 C ATOM 352 CZ TYR A 26 -10.177 -8.759 -8.326 1.00 0.00 C ATOM 353 OH TYR A 26 -11.370 -8.148 -8.642 1.00 0.00 O ATOM 0 H TYR A 26 -7.339 -10.377 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.974 -12.650 -6.714 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.748 -9.902 -7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.036 -11.108 -8.243 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.707 -8.619 -6.049 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.136 -11.201 -9.412 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.836 -7.532 -6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.265 -10.114 -9.977 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.747 -8.562 -9.447 1.00 0.00 H new ATOM 363 N LYS A 27 -4.677 -13.210 -5.997 1.00 0.00 N ATOM 364 CA LYS A 27 -3.371 -13.623 -5.497 1.00 0.00 C ATOM 365 C LYS A 27 -2.274 -13.293 -6.503 1.00 0.00 C ATOM 366 O LYS A 27 -2.403 -13.541 -7.702 1.00 0.00 O ATOM 367 CB LYS A 27 -3.368 -15.123 -5.196 1.00 0.00 C ATOM 368 CG LYS A 27 -4.559 -15.581 -4.372 1.00 0.00 C ATOM 369 CD LYS A 27 -4.836 -17.062 -4.567 1.00 0.00 C ATOM 370 CE LYS A 27 -5.769 -17.305 -5.743 1.00 0.00 C ATOM 371 NZ LYS A 27 -5.870 -18.751 -6.082 1.00 0.00 N ATOM 0 H LYS A 27 -5.127 -13.889 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.172 -13.074 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.354 -15.674 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.451 -15.377 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.371 -15.381 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.440 -15.005 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.897 -17.590 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.278 -17.473 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.760 -16.918 -5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.410 -16.753 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.515 -18.874 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.929 -19.115 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.237 -19.275 -5.262 1.00 0.00 H new ATOM 385 N PRO A 28 -1.166 -12.722 -6.007 1.00 0.00 N ATOM 386 CA PRO A 28 -0.024 -12.348 -6.846 1.00 0.00 C ATOM 387 C PRO A 28 0.395 -13.471 -7.789 1.00 0.00 C ATOM 388 O PRO A 28 0.455 -14.642 -7.412 1.00 0.00 O ATOM 389 CB PRO A 28 1.085 -12.063 -5.830 1.00 0.00 C ATOM 390 CG PRO A 28 0.366 -11.670 -4.586 1.00 0.00 C ATOM 391 CD PRO A 28 -0.943 -12.398 -4.588 1.00 0.00 C ATOM 0 HA PRO A 28 -0.255 -11.503 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.708 -12.942 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.743 -11.266 -6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.951 -11.931 -3.704 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.208 -10.592 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.900 -13.298 -3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.746 -11.778 -4.189 1.00 0.00 H new ATOM 399 N PRO A 29 0.691 -13.110 -9.047 1.00 0.00 N ATOM 400 CA PRO A 29 0.622 -11.720 -9.508 1.00 0.00 C ATOM 401 C PRO A 29 -0.812 -11.209 -9.595 1.00 0.00 C ATOM 402 O PRO A 29 -1.750 -11.989 -9.767 1.00 0.00 O ATOM 403 CB PRO A 29 1.254 -11.777 -10.901 1.00 0.00 C ATOM 404 CG PRO A 29 1.048 -13.181 -11.354 1.00 0.00 C ATOM 405 CD PRO A 29 1.116 -14.030 -10.115 1.00 0.00 C ATOM 0 HA PRO A 29 1.126 -11.038 -8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.780 -11.068 -11.580 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.314 -11.524 -10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.085 -13.293 -11.852 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.814 -13.476 -12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.458 -14.896 -10.185 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.123 -14.408 -9.942 1.00 0.00 H new ATOM 413 N ILE A 30 -0.976 -9.896 -9.475 1.00 0.00 N ATOM 414 CA ILE A 30 -2.296 -9.281 -9.542 1.00 0.00 C ATOM 415 C ILE A 30 -2.655 -8.905 -10.975 1.00 0.00 C ATOM 416 O ILE A 30 -1.795 -8.496 -11.755 1.00 0.00 O ATOM 417 CB ILE A 30 -2.376 -8.023 -8.657 1.00 0.00 C ATOM 418 CG1 ILE A 30 -2.054 -8.373 -7.203 1.00 0.00 C ATOM 419 CG2 ILE A 30 -3.756 -7.390 -8.762 1.00 0.00 C ATOM 420 CD1 ILE A 30 -3.052 -9.320 -6.574 1.00 0.00 C ATOM 0 H ILE A 30 -0.211 -9.237 -9.331 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.008 -10.020 -9.174 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.638 -7.302 -9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.061 -8.821 -7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.017 -7.455 -6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.798 -6.502 -8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.950 -7.109 -9.797 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.510 -8.105 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.761 -9.524 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.043 -8.866 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.073 -10.253 -7.137 1.00 0.00 H new ATOM 432 N SER A 31 -3.932 -9.046 -11.316 1.00 0.00 N ATOM 433 CA SER A 31 -4.406 -8.723 -12.656 1.00 0.00 C ATOM 434 C SER A 31 -4.229 -7.237 -12.952 1.00 0.00 C ATOM 435 O SER A 31 -4.719 -6.382 -12.214 1.00 0.00 O ATOM 436 CB SER A 31 -5.878 -9.113 -12.808 1.00 0.00 C ATOM 437 OG SER A 31 -6.038 -10.521 -12.783 1.00 0.00 O ATOM 0 H SER A 31 -4.657 -9.382 -10.682 1.00 0.00 H new ATOM 0 HA SER A 31 -3.811 -9.291 -13.371 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.461 -8.663 -12.005 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.268 -8.716 -13.745 1.00 0.00 H new ATOM 0 HG SER A 31 -6.987 -10.744 -12.880 1.00 0.00 H new ATOM 443 N LYS A 32 -3.524 -6.936 -14.037 1.00 0.00 N ATOM 444 CA LYS A 32 -3.282 -5.554 -14.434 1.00 0.00 C ATOM 445 C LYS A 32 -4.512 -4.690 -14.175 1.00 0.00 C ATOM 446 O LYS A 32 -4.430 -3.664 -13.501 1.00 0.00 O ATOM 447 CB LYS A 32 -2.899 -5.486 -15.914 1.00 0.00 C ATOM 448 CG LYS A 32 -2.520 -4.091 -16.381 1.00 0.00 C ATOM 449 CD LYS A 32 -1.073 -3.767 -16.051 1.00 0.00 C ATOM 450 CE LYS A 32 -0.491 -2.757 -17.028 1.00 0.00 C ATOM 451 NZ LYS A 32 -0.784 -1.356 -16.617 1.00 0.00 N ATOM 0 H LYS A 32 -3.110 -7.631 -14.658 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.457 -5.169 -13.834 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.062 -6.161 -16.095 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.735 -5.846 -16.514 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.675 -4.012 -17.457 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.175 -3.358 -15.910 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.010 -3.372 -15.037 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.480 -4.681 -16.075 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.588 -2.898 -17.096 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.899 -2.937 -18.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.371 -0.698 -17.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.813 -1.214 -16.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.373 -1.176 -15.679 1.00 0.00 H new ATOM 465 N ALA A 33 -5.650 -5.113 -14.715 1.00 0.00 N ATOM 466 CA ALA A 33 -6.897 -4.379 -14.540 1.00 0.00 C ATOM 467 C ALA A 33 -7.073 -3.932 -13.093 1.00 0.00 C ATOM 468 O ALA A 33 -7.489 -2.805 -12.826 1.00 0.00 O ATOM 469 CB ALA A 33 -8.078 -5.233 -14.977 1.00 0.00 C ATOM 0 H ALA A 33 -5.734 -5.960 -15.277 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.855 -3.488 -15.166 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.003 -4.672 -14.841 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.966 -5.498 -16.028 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.113 -6.141 -14.375 1.00 0.00 H new ATOM 475 N LYS A 34 -6.753 -4.823 -12.160 1.00 0.00 N ATOM 476 CA LYS A 34 -6.874 -4.521 -10.739 1.00 0.00 C ATOM 477 C LYS A 34 -6.154 -3.221 -10.396 1.00 0.00 C ATOM 478 O LYS A 34 -6.781 -2.240 -9.997 1.00 0.00 O ATOM 479 CB LYS A 34 -6.303 -5.669 -9.902 1.00 0.00 C ATOM 480 CG LYS A 34 -6.387 -5.430 -8.405 1.00 0.00 C ATOM 481 CD LYS A 34 -7.825 -5.458 -7.915 1.00 0.00 C ATOM 482 CE LYS A 34 -8.005 -4.610 -6.665 1.00 0.00 C ATOM 483 NZ LYS A 34 -7.798 -5.403 -5.422 1.00 0.00 N ATOM 0 H LYS A 34 -6.408 -5.761 -12.363 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.932 -4.402 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.839 -6.587 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.260 -5.826 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.808 -6.191 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.938 -4.466 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.486 -5.093 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.118 -6.486 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.301 -3.778 -6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.007 -4.180 -6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.155 -4.867 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.311 -6.305 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.783 -5.592 -5.295 1.00 0.00 H new ATOM 497 N MET A 35 -4.835 -3.221 -10.554 1.00 0.00 N ATOM 498 CA MET A 35 -4.031 -2.040 -10.263 1.00 0.00 C ATOM 499 C MET A 35 -4.718 -0.776 -10.770 1.00 0.00 C ATOM 500 O MET A 35 -4.642 0.280 -10.141 1.00 0.00 O ATOM 501 CB MET A 35 -2.645 -2.170 -10.898 1.00 0.00 C ATOM 502 CG MET A 35 -1.680 -3.017 -10.083 1.00 0.00 C ATOM 503 SD MET A 35 -1.478 -2.410 -8.397 1.00 0.00 S ATOM 504 CE MET A 35 -0.913 -3.895 -7.569 1.00 0.00 C ATOM 0 H MET A 35 -4.300 -4.025 -10.882 1.00 0.00 H new ATOM 0 HA MET A 35 -3.921 -1.964 -9.181 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.749 -2.607 -11.891 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.220 -1.175 -11.030 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.040 -4.045 -10.054 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.709 -3.033 -10.578 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.493 -3.633 -6.598 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.753 -4.576 -7.429 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.149 -4.381 -8.175 1.00 0.00 H new ATOM 514 N THR A 36 -5.389 -0.890 -11.912 1.00 0.00 N ATOM 515 CA THR A 36 -6.089 0.243 -12.504 1.00 0.00 C ATOM 516 C THR A 36 -7.325 0.612 -11.692 1.00 0.00 C ATOM 517 O THR A 36 -7.545 1.782 -11.378 1.00 0.00 O ATOM 518 CB THR A 36 -6.512 -0.053 -13.955 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.354 -0.286 -14.765 1.00 0.00 O ATOM 520 CG2 THR A 36 -7.316 1.102 -14.531 1.00 0.00 C ATOM 0 H THR A 36 -5.462 -1.756 -12.446 1.00 0.00 H new ATOM 0 HA THR A 36 -5.392 1.081 -12.500 1.00 0.00 H new ATOM 0 HB THR A 36 -7.139 -0.945 -13.953 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.631 -0.475 -15.686 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.603 0.870 -15.556 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.212 1.257 -13.930 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.710 2.008 -14.520 1.00 0.00 H new ATOM 528 N GLN A 37 -8.127 -0.392 -11.354 1.00 0.00 N ATOM 529 CA GLN A 37 -9.341 -0.172 -10.577 1.00 0.00 C ATOM 530 C GLN A 37 -9.034 0.585 -9.290 1.00 0.00 C ATOM 531 O GLN A 37 -9.786 1.472 -8.886 1.00 0.00 O ATOM 532 CB GLN A 37 -10.012 -1.507 -10.250 1.00 0.00 C ATOM 533 CG GLN A 37 -10.463 -2.279 -11.480 1.00 0.00 C ATOM 534 CD GLN A 37 -11.812 -1.818 -11.995 1.00 0.00 C ATOM 535 OE1 GLN A 37 -12.829 -2.481 -11.788 1.00 0.00 O ATOM 536 NE2 GLN A 37 -11.829 -0.675 -12.671 1.00 0.00 N ATOM 0 H GLN A 37 -7.958 -1.366 -11.606 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.022 0.431 -11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.317 -2.123 -9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.875 -1.323 -9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.719 -2.166 -12.269 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.513 -3.341 -11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.963 -0.157 -12.820 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.708 -0.315 -13.042 1.00 0.00 H new ATOM 545 N ILE A 38 -7.925 0.229 -8.650 1.00 0.00 N ATOM 546 CA ILE A 38 -7.518 0.876 -7.409 1.00 0.00 C ATOM 547 C ILE A 38 -7.098 2.321 -7.654 1.00 0.00 C ATOM 548 O ILE A 38 -7.629 3.247 -7.039 1.00 0.00 O ATOM 549 CB ILE A 38 -6.356 0.122 -6.735 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.584 -1.389 -6.818 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.208 0.562 -5.287 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.673 -2.188 -5.912 1.00 0.00 C ATOM 0 H ILE A 38 -7.292 -0.504 -8.971 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.383 0.859 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.433 0.361 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.621 -1.607 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.436 -1.715 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.383 0.020 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.005 1.632 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.130 0.349 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.890 -3.250 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.634 -2.000 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.837 -1.890 -4.876 1.00 0.00 H new ATOM 564 N THR A 39 -6.141 2.508 -8.558 1.00 0.00 N ATOM 565 CA THR A 39 -5.650 3.840 -8.885 1.00 0.00 C ATOM 566 C THR A 39 -6.801 4.790 -9.198 1.00 0.00 C ATOM 567 O THR A 39 -6.838 5.919 -8.709 1.00 0.00 O ATOM 568 CB THR A 39 -4.688 3.804 -10.088 1.00 0.00 C ATOM 569 OG1 THR A 39 -3.554 2.985 -9.784 1.00 0.00 O ATOM 570 CG2 THR A 39 -4.224 5.206 -10.452 1.00 0.00 C ATOM 0 H THR A 39 -5.691 1.753 -9.076 1.00 0.00 H new ATOM 0 HA THR A 39 -5.112 4.202 -8.009 1.00 0.00 H new ATOM 0 HB THR A 39 -5.222 3.383 -10.940 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.800 2.040 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.546 5.155 -11.304 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.087 5.819 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.706 5.650 -9.602 1.00 0.00 H new ATOM 578 N LYS A 40 -7.740 4.325 -10.015 1.00 0.00 N ATOM 579 CA LYS A 40 -8.894 5.132 -10.391 1.00 0.00 C ATOM 580 C LYS A 40 -9.649 5.612 -9.156 1.00 0.00 C ATOM 581 O LYS A 40 -10.140 6.740 -9.116 1.00 0.00 O ATOM 582 CB LYS A 40 -9.832 4.327 -11.294 1.00 0.00 C ATOM 583 CG LYS A 40 -9.260 4.053 -12.675 1.00 0.00 C ATOM 584 CD LYS A 40 -9.811 2.764 -13.261 1.00 0.00 C ATOM 585 CE LYS A 40 -11.302 2.872 -13.542 1.00 0.00 C ATOM 586 NZ LYS A 40 -11.607 3.958 -14.514 1.00 0.00 N ATOM 0 H LYS A 40 -7.724 3.393 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.533 6.004 -10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.062 3.378 -10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.773 4.867 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.495 4.885 -13.339 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.173 3.991 -12.614 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.282 2.527 -14.184 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.629 1.942 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.667 1.922 -13.932 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.834 3.059 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.564 3.822 -14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.554 4.879 -14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.916 3.933 -15.291 1.00 0.00 H new ATOM 600 N ALA A 41 -9.737 4.748 -8.150 1.00 0.00 N ATOM 601 CA ALA A 41 -10.430 5.086 -6.912 1.00 0.00 C ATOM 602 C ALA A 41 -9.599 6.041 -6.061 1.00 0.00 C ATOM 603 O ALA A 41 -10.138 6.933 -5.407 1.00 0.00 O ATOM 604 CB ALA A 41 -10.754 3.823 -6.127 1.00 0.00 C ATOM 0 H ALA A 41 -9.338 3.810 -8.168 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.362 5.589 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.271 4.090 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.393 3.175 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.830 3.298 -5.885 1.00 0.00 H new ATOM 610 N ALA A 42 -8.284 5.848 -6.076 1.00 0.00 N ATOM 611 CA ALA A 42 -7.379 6.693 -5.307 1.00 0.00 C ATOM 612 C ALA A 42 -7.345 8.111 -5.866 1.00 0.00 C ATOM 613 O ALA A 42 -7.731 9.064 -5.189 1.00 0.00 O ATOM 614 CB ALA A 42 -5.980 6.094 -5.294 1.00 0.00 C ATOM 0 H ALA A 42 -7.822 5.114 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.750 6.743 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.315 6.736 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.013 5.103 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.609 6.014 -6.316 1.00 0.00 H new ATOM 620 N ILE A 43 -6.879 8.243 -7.103 1.00 0.00 N ATOM 621 CA ILE A 43 -6.795 9.546 -7.752 1.00 0.00 C ATOM 622 C ILE A 43 -8.112 10.305 -7.635 1.00 0.00 C ATOM 623 O ILE A 43 -8.134 11.536 -7.625 1.00 0.00 O ATOM 624 CB ILE A 43 -6.425 9.410 -9.241 1.00 0.00 C ATOM 625 CG1 ILE A 43 -5.075 8.705 -9.391 1.00 0.00 C ATOM 626 CG2 ILE A 43 -6.390 10.779 -9.905 1.00 0.00 C ATOM 627 CD1 ILE A 43 -3.893 9.585 -9.050 1.00 0.00 C ATOM 0 H ILE A 43 -6.554 7.464 -7.676 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.011 10.103 -7.240 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.186 8.807 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.060 7.825 -8.748 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.971 8.352 -10.417 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.127 10.667 -10.957 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.371 11.248 -9.824 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.647 11.404 -9.410 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.970 9.020 -9.179 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.883 10.452 -9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.974 9.918 -8.015 1.00 0.00 H new ATOM 639 N LYS A 44 -9.211 9.562 -7.543 1.00 0.00 N ATOM 640 CA LYS A 44 -10.533 10.163 -7.423 1.00 0.00 C ATOM 641 C LYS A 44 -10.737 10.756 -6.032 1.00 0.00 C ATOM 642 O LYS A 44 -11.326 11.827 -5.884 1.00 0.00 O ATOM 643 CB LYS A 44 -11.617 9.121 -7.708 1.00 0.00 C ATOM 644 CG LYS A 44 -12.017 9.044 -9.172 1.00 0.00 C ATOM 645 CD LYS A 44 -12.939 10.189 -9.559 1.00 0.00 C ATOM 646 CE LYS A 44 -14.387 9.881 -9.210 1.00 0.00 C ATOM 647 NZ LYS A 44 -15.312 10.940 -9.698 1.00 0.00 N ATOM 0 H LYS A 44 -9.211 8.542 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.607 10.966 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.262 8.142 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.499 9.354 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.124 9.068 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.515 8.094 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.626 11.099 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.854 10.380 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.670 8.923 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.487 9.781 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.289 10.693 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.059 11.850 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.236 11.018 -10.732 1.00 0.00 H new ATOM 661 N ALA A 45 -10.245 10.054 -5.017 1.00 0.00 N ATOM 662 CA ALA A 45 -10.370 10.513 -3.639 1.00 0.00 C ATOM 663 C ALA A 45 -9.215 11.433 -3.260 1.00 0.00 C ATOM 664 O ALA A 45 -8.944 11.650 -2.078 1.00 0.00 O ATOM 665 CB ALA A 45 -10.435 9.326 -2.691 1.00 0.00 C ATOM 0 H ALA A 45 -9.756 9.165 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.296 11.082 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.528 9.684 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.298 8.709 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.525 8.733 -2.787 1.00 0.00 H new ATOM 671 N ILE A 46 -8.537 11.970 -4.268 1.00 0.00 N ATOM 672 CA ILE A 46 -7.410 12.866 -4.040 1.00 0.00 C ATOM 673 C ILE A 46 -7.754 13.926 -2.998 1.00 0.00 C ATOM 674 O ILE A 46 -6.977 14.185 -2.079 1.00 0.00 O ATOM 675 CB ILE A 46 -6.973 13.564 -5.341 1.00 0.00 C ATOM 676 CG1 ILE A 46 -5.502 13.979 -5.253 1.00 0.00 C ATOM 677 CG2 ILE A 46 -7.854 14.773 -5.616 1.00 0.00 C ATOM 678 CD1 ILE A 46 -4.813 14.047 -6.598 1.00 0.00 C ATOM 0 H ILE A 46 -8.748 11.800 -5.251 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.587 12.252 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.085 12.862 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.436 14.954 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.970 13.271 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.532 15.255 -6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.891 14.452 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.771 15.479 -4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.774 14.347 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.847 13.067 -7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.320 14.776 -7.230 1.00 0.00 H new ATOM 690 N LYS A 47 -8.925 14.536 -3.148 1.00 0.00 N ATOM 691 CA LYS A 47 -9.375 15.567 -2.219 1.00 0.00 C ATOM 692 C LYS A 47 -9.213 15.105 -0.774 1.00 0.00 C ATOM 693 O LYS A 47 -8.876 15.897 0.106 1.00 0.00 O ATOM 694 CB LYS A 47 -10.838 15.923 -2.491 1.00 0.00 C ATOM 695 CG LYS A 47 -11.768 14.722 -2.489 1.00 0.00 C ATOM 696 CD LYS A 47 -12.983 14.955 -3.371 1.00 0.00 C ATOM 697 CE LYS A 47 -13.653 13.645 -3.755 1.00 0.00 C ATOM 698 NZ LYS A 47 -14.465 13.780 -4.996 1.00 0.00 N ATOM 0 H LYS A 47 -9.580 14.335 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.758 16.453 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.176 16.635 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.908 16.424 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.228 13.842 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.092 14.514 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.697 15.590 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.682 15.489 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.893 12.877 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.292 13.311 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.905 12.866 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.207 14.494 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.851 14.074 -5.782 1.00 0.00 H new ATOM 712 N PHE A 48 -9.454 13.820 -0.538 1.00 0.00 N ATOM 713 CA PHE A 48 -9.335 13.254 0.800 1.00 0.00 C ATOM 714 C PHE A 48 -8.210 12.224 0.857 1.00 0.00 C ATOM 715 O PHE A 48 -8.140 11.415 1.782 1.00 0.00 O ATOM 716 CB PHE A 48 -10.655 12.606 1.223 1.00 0.00 C ATOM 717 CG PHE A 48 -11.866 13.403 0.829 1.00 0.00 C ATOM 718 CD1 PHE A 48 -11.835 14.788 0.841 1.00 0.00 C ATOM 719 CD2 PHE A 48 -13.036 12.766 0.447 1.00 0.00 C ATOM 720 CE1 PHE A 48 -12.948 15.523 0.480 1.00 0.00 C ATOM 721 CE2 PHE A 48 -14.153 13.496 0.085 1.00 0.00 C ATOM 722 CZ PHE A 48 -14.108 14.877 0.100 1.00 0.00 C ATOM 0 H PHE A 48 -9.733 13.151 -1.256 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.098 14.064 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.722 11.613 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.654 12.471 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.930 15.299 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.076 11.687 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.911 16.602 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -15.059 12.988 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.978 15.450 -0.185 1.00 0.00 H new ATOM 732 N TYR A 49 -7.332 12.261 -0.139 1.00 0.00 N ATOM 733 CA TYR A 49 -6.212 11.331 -0.206 1.00 0.00 C ATOM 734 C TYR A 49 -5.607 11.107 1.177 1.00 0.00 C ATOM 735 O TYR A 49 -5.138 10.013 1.493 1.00 0.00 O ATOM 736 CB TYR A 49 -5.141 11.856 -1.164 1.00 0.00 C ATOM 737 CG TYR A 49 -4.115 12.744 -0.497 1.00 0.00 C ATOM 738 CD1 TYR A 49 -4.344 14.106 -0.340 1.00 0.00 C ATOM 739 CD2 TYR A 49 -2.917 12.223 -0.025 1.00 0.00 C ATOM 740 CE1 TYR A 49 -3.409 14.922 0.268 1.00 0.00 C ATOM 741 CE2 TYR A 49 -1.977 13.031 0.585 1.00 0.00 C ATOM 742 CZ TYR A 49 -2.228 14.379 0.729 1.00 0.00 C ATOM 743 OH TYR A 49 -1.294 15.188 1.335 1.00 0.00 O ATOM 0 H TYR A 49 -7.375 12.926 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.587 10.378 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.632 11.010 -1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.625 12.413 -1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.268 14.534 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.717 11.168 -0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.602 15.979 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.051 12.609 0.947 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.520 14.650 1.603 1.00 0.00 H new ATOM 753 N LYS A 50 -5.622 12.151 1.998 1.00 0.00 N ATOM 754 CA LYS A 50 -5.077 12.071 3.349 1.00 0.00 C ATOM 755 C LYS A 50 -5.378 10.713 3.977 1.00 0.00 C ATOM 756 O LYS A 50 -4.634 10.237 4.835 1.00 0.00 O ATOM 757 CB LYS A 50 -5.656 13.187 4.221 1.00 0.00 C ATOM 758 CG LYS A 50 -5.298 14.583 3.739 1.00 0.00 C ATOM 759 CD LYS A 50 -5.864 15.652 4.658 1.00 0.00 C ATOM 760 CE LYS A 50 -5.211 17.003 4.409 1.00 0.00 C ATOM 761 NZ LYS A 50 -5.995 18.117 5.012 1.00 0.00 N ATOM 0 H LYS A 50 -6.006 13.063 1.752 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.996 12.191 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.741 13.089 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.298 13.061 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.214 14.684 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.681 14.730 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.940 15.733 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.711 15.359 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.203 17.002 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.113 17.167 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.518 19.021 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.949 18.135 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.067 17.974 6.040 1.00 0.00 H new ATOM 775 N HIS A 51 -6.471 10.094 3.542 1.00 0.00 N ATOM 776 CA HIS A 51 -6.868 8.790 4.061 1.00 0.00 C ATOM 777 C HIS A 51 -6.291 7.666 3.205 1.00 0.00 C ATOM 778 O HIS A 51 -5.689 6.725 3.722 1.00 0.00 O ATOM 779 CB HIS A 51 -8.392 8.679 4.109 1.00 0.00 C ATOM 780 CG HIS A 51 -8.986 9.139 5.405 1.00 0.00 C ATOM 781 ND1 HIS A 51 -9.840 8.362 6.158 1.00 0.00 N ATOM 782 CD2 HIS A 51 -8.843 10.303 6.080 1.00 0.00 C ATOM 783 CE1 HIS A 51 -10.198 9.029 7.241 1.00 0.00 C ATOM 784 NE2 HIS A 51 -9.606 10.209 7.218 1.00 0.00 N ATOM 0 H HIS A 51 -7.097 10.474 2.832 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.472 8.693 5.072 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.817 9.267 3.295 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.678 7.642 3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.241 11.148 5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.862 8.670 8.014 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.700 10.933 7.930 1.00 0.00 H new ATOM 792 N VAL A 52 -6.479 7.772 1.893 1.00 0.00 N ATOM 793 CA VAL A 52 -5.977 6.765 0.966 1.00 0.00 C ATOM 794 C VAL A 52 -4.527 6.408 1.274 1.00 0.00 C ATOM 795 O VAL A 52 -4.231 5.299 1.719 1.00 0.00 O ATOM 796 CB VAL A 52 -6.076 7.247 -0.494 1.00 0.00 C ATOM 797 CG1 VAL A 52 -5.195 6.399 -1.398 1.00 0.00 C ATOM 798 CG2 VAL A 52 -7.522 7.219 -0.966 1.00 0.00 C ATOM 0 H VAL A 52 -6.975 8.545 1.449 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.601 5.880 1.092 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.721 8.276 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.278 6.755 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.158 6.475 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.516 5.359 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.574 7.562 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.906 6.201 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.123 7.874 -0.335 1.00 0.00 H new ATOM 808 N VAL A 53 -3.626 7.355 1.035 1.00 0.00 N ATOM 809 CA VAL A 53 -2.206 7.142 1.288 1.00 0.00 C ATOM 810 C VAL A 53 -1.994 6.256 2.510 1.00 0.00 C ATOM 811 O VAL A 53 -1.237 5.286 2.461 1.00 0.00 O ATOM 812 CB VAL A 53 -1.467 8.477 1.500 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.106 8.238 2.136 1.00 0.00 C ATOM 814 CG2 VAL A 53 -1.326 9.222 0.182 1.00 0.00 C ATOM 0 H VAL A 53 -3.854 8.278 0.666 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.798 6.646 0.407 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.055 9.095 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.402 9.192 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.236 7.749 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.493 7.602 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.802 10.163 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.760 8.612 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.315 9.426 -0.228 1.00 0.00 H new ATOM 824 N GLN A 54 -2.666 6.595 3.605 1.00 0.00 N ATOM 825 CA GLN A 54 -2.550 5.830 4.840 1.00 0.00 C ATOM 826 C GLN A 54 -2.977 4.381 4.626 1.00 0.00 C ATOM 827 O GLN A 54 -2.199 3.455 4.851 1.00 0.00 O ATOM 828 CB GLN A 54 -3.400 6.466 5.941 1.00 0.00 C ATOM 829 CG GLN A 54 -3.211 5.822 7.305 1.00 0.00 C ATOM 830 CD GLN A 54 -3.428 6.796 8.446 1.00 0.00 C ATOM 831 OE1 GLN A 54 -4.393 7.561 8.450 1.00 0.00 O ATOM 832 NE2 GLN A 54 -2.529 6.773 9.424 1.00 0.00 N ATOM 0 H GLN A 54 -3.297 7.395 3.662 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.504 5.840 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.154 7.526 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.451 6.401 5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.905 4.988 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.204 5.409 7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.744 6.123 9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.623 7.406 10.218 1.00 0.00 H new ATOM 841 N SER A 55 -4.218 4.194 4.189 1.00 0.00 N ATOM 842 CA SER A 55 -4.751 2.858 3.947 1.00 0.00 C ATOM 843 C SER A 55 -3.760 2.014 3.151 1.00 0.00 C ATOM 844 O SER A 55 -3.574 0.829 3.427 1.00 0.00 O ATOM 845 CB SER A 55 -6.082 2.944 3.198 1.00 0.00 C ATOM 846 OG SER A 55 -7.119 3.395 4.052 1.00 0.00 O ATOM 0 H SER A 55 -4.874 4.951 3.995 1.00 0.00 H new ATOM 0 HA SER A 55 -4.916 2.380 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.983 3.623 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.339 1.965 2.794 1.00 0.00 H new ATOM 0 HG SER A 55 -7.952 2.929 3.830 1.00 0.00 H new ATOM 852 N VAL A 56 -3.125 2.635 2.162 1.00 0.00 N ATOM 853 CA VAL A 56 -2.152 1.943 1.325 1.00 0.00 C ATOM 854 C VAL A 56 -0.960 1.466 2.148 1.00 0.00 C ATOM 855 O VAL A 56 -0.371 0.425 1.859 1.00 0.00 O ATOM 856 CB VAL A 56 -1.647 2.848 0.186 1.00 0.00 C ATOM 857 CG1 VAL A 56 -0.597 2.125 -0.645 1.00 0.00 C ATOM 858 CG2 VAL A 56 -2.807 3.305 -0.686 1.00 0.00 C ATOM 0 H VAL A 56 -3.267 3.616 1.921 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.661 1.081 0.895 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.183 3.731 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.252 2.780 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.246 1.853 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.032 1.223 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.432 3.944 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.302 2.435 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.520 3.864 -0.080 1.00 0.00 H new ATOM 868 N GLU A 57 -0.611 2.236 3.174 1.00 0.00 N ATOM 869 CA GLU A 57 0.512 1.892 4.039 1.00 0.00 C ATOM 870 C GLU A 57 0.111 0.823 5.051 1.00 0.00 C ATOM 871 O GLU A 57 0.873 -0.104 5.327 1.00 0.00 O ATOM 872 CB GLU A 57 1.022 3.136 4.769 1.00 0.00 C ATOM 873 CG GLU A 57 1.519 4.228 3.837 1.00 0.00 C ATOM 874 CD GLU A 57 1.839 5.518 4.567 1.00 0.00 C ATOM 875 OE1 GLU A 57 2.972 5.648 5.074 1.00 0.00 O ATOM 876 OE2 GLU A 57 0.954 6.397 4.631 1.00 0.00 O ATOM 0 H GLU A 57 -1.089 3.101 3.426 1.00 0.00 H new ATOM 0 HA GLU A 57 1.311 1.494 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.221 3.537 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.831 2.847 5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.411 3.878 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.763 4.423 3.077 1.00 0.00 H new ATOM 883 N LYS A 58 -1.090 0.959 5.602 1.00 0.00 N ATOM 884 CA LYS A 58 -1.595 0.006 6.584 1.00 0.00 C ATOM 885 C LYS A 58 -1.842 -1.356 5.943 1.00 0.00 C ATOM 886 O LYS A 58 -1.235 -2.354 6.330 1.00 0.00 O ATOM 887 CB LYS A 58 -2.889 0.528 7.213 1.00 0.00 C ATOM 888 CG LYS A 58 -2.799 1.970 7.681 1.00 0.00 C ATOM 889 CD LYS A 58 -1.777 2.132 8.794 1.00 0.00 C ATOM 890 CE LYS A 58 -2.377 1.811 10.154 1.00 0.00 C ATOM 891 NZ LYS A 58 -2.964 3.018 10.800 1.00 0.00 N ATOM 0 H LYS A 58 -1.733 1.721 5.385 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.841 -0.110 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.697 0.440 6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.152 -0.105 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.528 2.610 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.776 2.301 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.927 1.476 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.398 3.154 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.148 1.049 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.607 1.391 10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.363 2.758 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.223 3.736 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.717 3.404 10.195 1.00 0.00 H new ATOM 905 N PHE A 59 -2.735 -1.389 4.959 1.00 0.00 N ATOM 906 CA PHE A 59 -3.062 -2.629 4.264 1.00 0.00 C ATOM 907 C PHE A 59 -1.812 -3.478 4.052 1.00 0.00 C ATOM 908 O PHE A 59 -1.872 -4.708 4.083 1.00 0.00 O ATOM 909 CB PHE A 59 -3.720 -2.325 2.917 1.00 0.00 C ATOM 910 CG PHE A 59 -3.518 -3.405 1.894 1.00 0.00 C ATOM 911 CD1 PHE A 59 -4.401 -4.470 1.808 1.00 0.00 C ATOM 912 CD2 PHE A 59 -2.446 -3.356 1.018 1.00 0.00 C ATOM 913 CE1 PHE A 59 -4.216 -5.466 0.867 1.00 0.00 C ATOM 914 CE2 PHE A 59 -2.257 -4.349 0.075 1.00 0.00 C ATOM 915 CZ PHE A 59 -3.144 -5.405 -0.001 1.00 0.00 C ATOM 0 H PHE A 59 -3.245 -0.571 4.625 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.761 -3.191 4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.789 -2.175 3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.319 -1.389 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.242 -4.522 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.750 -2.532 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.910 -6.292 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.417 -4.299 -0.602 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.999 -6.181 -0.738 1.00 0.00 H new ATOM 925 N ILE A 60 -0.682 -2.814 3.836 1.00 0.00 N ATOM 926 CA ILE A 60 0.582 -3.507 3.619 1.00 0.00 C ATOM 927 C ILE A 60 1.004 -4.282 4.863 1.00 0.00 C ATOM 928 O ILE A 60 1.457 -5.423 4.770 1.00 0.00 O ATOM 929 CB ILE A 60 1.704 -2.525 3.235 1.00 0.00 C ATOM 930 CG1 ILE A 60 1.512 -2.035 1.798 1.00 0.00 C ATOM 931 CG2 ILE A 60 3.065 -3.186 3.398 1.00 0.00 C ATOM 932 CD1 ILE A 60 2.516 -0.983 1.380 1.00 0.00 C ATOM 0 H ILE A 60 -0.616 -1.797 3.807 1.00 0.00 H new ATOM 0 HA ILE A 60 0.423 -4.204 2.796 1.00 0.00 H new ATOM 0 HB ILE A 60 1.658 -1.664 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.585 -2.885 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.506 -1.628 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.848 -2.479 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.200 -3.491 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.124 -4.062 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.320 -0.682 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.428 -0.116 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.524 -1.392 1.453 1.00 0.00 H new ATOM 944 N GLN A 61 0.851 -3.656 6.025 1.00 0.00 N ATOM 945 CA GLN A 61 1.215 -4.287 7.287 1.00 0.00 C ATOM 946 C GLN A 61 0.205 -5.365 7.668 1.00 0.00 C ATOM 947 O GLN A 61 0.548 -6.348 8.326 1.00 0.00 O ATOM 948 CB GLN A 61 1.304 -3.241 8.399 1.00 0.00 C ATOM 949 CG GLN A 61 -0.045 -2.675 8.812 1.00 0.00 C ATOM 950 CD GLN A 61 -0.086 -2.274 10.273 1.00 0.00 C ATOM 951 OE1 GLN A 61 -0.542 -3.037 11.126 1.00 0.00 O ATOM 952 NE2 GLN A 61 0.391 -1.071 10.571 1.00 0.00 N ATOM 0 H GLN A 61 0.477 -2.712 6.118 1.00 0.00 H new ATOM 0 HA GLN A 61 2.191 -4.756 7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.783 -3.689 9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.945 -2.424 8.068 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.275 -1.807 8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.820 -3.417 8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.759 -0.471 9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.389 -0.747 11.538 1.00 0.00 H new ATOM 961 N LYS A 62 -1.041 -5.176 7.250 1.00 0.00 N ATOM 962 CA LYS A 62 -2.102 -6.131 7.545 1.00 0.00 C ATOM 963 C LYS A 62 -2.056 -7.311 6.579 1.00 0.00 C ATOM 964 O LYS A 62 -2.367 -8.443 6.952 1.00 0.00 O ATOM 965 CB LYS A 62 -3.469 -5.448 7.467 1.00 0.00 C ATOM 966 CG LYS A 62 -3.474 -4.034 8.021 1.00 0.00 C ATOM 967 CD LYS A 62 -3.240 -4.022 9.522 1.00 0.00 C ATOM 968 CE LYS A 62 -4.550 -4.099 10.291 1.00 0.00 C ATOM 969 NZ LYS A 62 -4.985 -5.507 10.505 1.00 0.00 N ATOM 0 H LYS A 62 -1.342 -4.368 6.705 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.947 -6.506 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.795 -5.423 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.197 -6.047 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.701 -3.446 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.429 -3.558 7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.604 -4.863 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.706 -3.114 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.435 -3.604 11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.324 -3.559 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.541 -5.569 11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.570 -5.816 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.149 -6.121 10.581 1.00 0.00 H new ATOM 983 N CYS A 63 -1.665 -7.039 5.339 1.00 0.00 N ATOM 984 CA CYS A 63 -1.577 -8.079 4.320 1.00 0.00 C ATOM 985 C CYS A 63 -0.599 -9.171 4.740 1.00 0.00 C ATOM 986 O CYS A 63 0.055 -9.069 5.778 1.00 0.00 O ATOM 987 CB CYS A 63 -1.145 -7.477 2.983 1.00 0.00 C ATOM 988 SG CYS A 63 0.643 -7.267 2.811 1.00 0.00 S ATOM 0 H CYS A 63 -1.404 -6.108 5.015 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.565 -8.526 4.206 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.504 -8.116 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.627 -6.507 2.861 1.00 0.00 H new ATOM 0 HG CYS A 63 1.106 -6.626 3.843 1.00 0.00 H new ATOM 994 N LYS A 64 -0.503 -10.217 3.927 1.00 0.00 N ATOM 995 CA LYS A 64 0.395 -11.330 4.212 1.00 0.00 C ATOM 996 C LYS A 64 1.745 -11.128 3.531 1.00 0.00 C ATOM 997 O LYS A 64 1.869 -10.394 2.550 1.00 0.00 O ATOM 998 CB LYS A 64 -0.229 -12.648 3.750 1.00 0.00 C ATOM 999 CG LYS A 64 -1.590 -12.926 4.365 1.00 0.00 C ATOM 1000 CD LYS A 64 -2.713 -12.358 3.513 1.00 0.00 C ATOM 1001 CE LYS A 64 -3.993 -13.166 3.668 1.00 0.00 C ATOM 1002 NZ LYS A 64 -5.067 -12.684 2.757 1.00 0.00 N ATOM 0 H LYS A 64 -1.037 -10.318 3.064 1.00 0.00 H new ATOM 0 HA LYS A 64 0.553 -11.369 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.326 -12.633 2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.446 -13.467 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.726 -14.001 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.635 -12.492 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.899 -11.322 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.410 -12.352 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.787 -14.216 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.338 -13.105 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.947 -13.203 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.223 -11.668 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.782 -12.844 1.770 1.00 0.00 H new ATOM 1016 N PRO A 65 2.781 -11.795 4.060 1.00 0.00 N ATOM 1017 CA PRO A 65 4.140 -11.706 3.517 1.00 0.00 C ATOM 1018 C PRO A 65 4.173 -11.888 2.003 1.00 0.00 C ATOM 1019 O PRO A 65 5.140 -11.508 1.345 1.00 0.00 O ATOM 1020 CB PRO A 65 4.875 -12.856 4.210 1.00 0.00 C ATOM 1021 CG PRO A 65 4.133 -13.066 5.485 1.00 0.00 C ATOM 1022 CD PRO A 65 2.707 -12.687 5.229 1.00 0.00 C ATOM 0 HA PRO A 65 4.587 -10.728 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.870 -13.756 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.919 -12.604 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.204 -14.105 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.557 -12.456 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.092 -13.563 5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.267 -12.182 6.089 1.00 0.00 H new ATOM 1030 N GLU A 66 3.109 -12.470 1.459 1.00 0.00 N ATOM 1031 CA GLU A 66 3.018 -12.703 0.022 1.00 0.00 C ATOM 1032 C GLU A 66 2.483 -11.466 -0.695 1.00 0.00 C ATOM 1033 O GLU A 66 2.815 -11.216 -1.855 1.00 0.00 O ATOM 1034 CB GLU A 66 2.115 -13.904 -0.266 1.00 0.00 C ATOM 1035 CG GLU A 66 0.648 -13.649 0.037 1.00 0.00 C ATOM 1036 CD GLU A 66 -0.132 -14.930 0.265 1.00 0.00 C ATOM 1037 OE1 GLU A 66 0.476 -15.923 0.714 1.00 0.00 O ATOM 1038 OE2 GLU A 66 -1.351 -14.937 -0.007 1.00 0.00 O ATOM 0 H GLU A 66 2.299 -12.789 1.991 1.00 0.00 H new ATOM 0 HA GLU A 66 4.020 -12.914 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.218 -14.182 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.457 -14.755 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.568 -13.017 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.200 -13.098 -0.790 1.00 0.00 H new ATOM 1045 N TYR A 67 1.654 -10.697 0.001 1.00 0.00 N ATOM 1046 CA TYR A 67 1.071 -9.489 -0.570 1.00 0.00 C ATOM 1047 C TYR A 67 1.940 -8.271 -0.270 1.00 0.00 C ATOM 1048 O TYR A 67 1.441 -7.152 -0.149 1.00 0.00 O ATOM 1049 CB TYR A 67 -0.340 -9.270 -0.021 1.00 0.00 C ATOM 1050 CG TYR A 67 -1.368 -10.215 -0.601 1.00 0.00 C ATOM 1051 CD1 TYR A 67 -2.067 -9.888 -1.757 1.00 0.00 C ATOM 1052 CD2 TYR A 67 -1.641 -11.435 0.006 1.00 0.00 C ATOM 1053 CE1 TYR A 67 -3.008 -10.748 -2.289 1.00 0.00 C ATOM 1054 CE2 TYR A 67 -2.579 -12.301 -0.520 1.00 0.00 C ATOM 1055 CZ TYR A 67 -3.260 -11.953 -1.668 1.00 0.00 C ATOM 1056 OH TYR A 67 -4.196 -12.813 -2.197 1.00 0.00 O ATOM 0 H TYR A 67 1.370 -10.889 0.962 1.00 0.00 H new ATOM 0 HA TYR A 67 1.017 -9.618 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.322 -9.387 1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.645 -8.244 -0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.871 -8.946 -2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.110 -11.711 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.544 -10.478 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.778 -13.245 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.093 -12.438 -2.072 1.00 0.00 H new ATOM 1066 N LYS A 68 3.244 -8.497 -0.153 1.00 0.00 N ATOM 1067 CA LYS A 68 4.185 -7.420 0.130 1.00 0.00 C ATOM 1068 C LYS A 68 4.598 -6.707 -1.154 1.00 0.00 C ATOM 1069 O LYS A 68 5.011 -5.548 -1.126 1.00 0.00 O ATOM 1070 CB LYS A 68 5.423 -7.971 0.841 1.00 0.00 C ATOM 1071 CG LYS A 68 5.133 -8.528 2.223 1.00 0.00 C ATOM 1072 CD LYS A 68 4.168 -7.641 2.991 1.00 0.00 C ATOM 1073 CE LYS A 68 4.097 -8.033 4.459 1.00 0.00 C ATOM 1074 NZ LYS A 68 3.677 -6.892 5.319 1.00 0.00 N ATOM 0 H LYS A 68 3.673 -9.417 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 68 3.690 -6.700 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.865 -8.756 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.166 -7.178 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.713 -9.530 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.065 -8.622 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.482 -6.601 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.175 -7.711 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.394 -8.857 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.072 -8.394 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.690 -7.186 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.332 -6.096 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.715 -6.596 5.058 1.00 0.00 H new ATOM 1088 N VAL A 69 4.482 -7.407 -2.278 1.00 0.00 N ATOM 1089 CA VAL A 69 4.841 -6.840 -3.572 1.00 0.00 C ATOM 1090 C VAL A 69 3.715 -5.971 -4.122 1.00 0.00 C ATOM 1091 O VAL A 69 3.928 -4.840 -4.561 1.00 0.00 O ATOM 1092 CB VAL A 69 5.171 -7.942 -4.596 1.00 0.00 C ATOM 1093 CG1 VAL A 69 4.763 -7.510 -5.996 1.00 0.00 C ATOM 1094 CG2 VAL A 69 6.651 -8.289 -4.546 1.00 0.00 C ATOM 0 H VAL A 69 4.142 -8.368 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 69 5.727 -6.225 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 69 4.603 -8.836 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.004 -8.301 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.691 -7.316 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.302 -6.602 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.867 -9.069 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.241 -7.402 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.908 -8.645 -3.548 1.00 0.00 H new ATOM 1104 N PRO A 70 2.487 -6.509 -4.099 1.00 0.00 N ATOM 1105 CA PRO A 70 1.302 -5.800 -4.591 1.00 0.00 C ATOM 1106 C PRO A 70 1.214 -4.376 -4.053 1.00 0.00 C ATOM 1107 O PRO A 70 1.120 -3.417 -4.817 1.00 0.00 O ATOM 1108 CB PRO A 70 0.139 -6.644 -4.065 1.00 0.00 C ATOM 1109 CG PRO A 70 0.705 -8.013 -3.908 1.00 0.00 C ATOM 1110 CD PRO A 70 2.160 -7.852 -3.591 1.00 0.00 C ATOM 0 HA PRO A 70 1.312 -5.694 -5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.233 -6.258 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.700 -6.640 -4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.194 -8.552 -3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.571 -8.593 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.347 -7.930 -2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.762 -8.620 -4.076 1.00 0.00 H new ATOM 1118 N GLY A 71 1.246 -4.246 -2.730 1.00 0.00 N ATOM 1119 CA GLY A 71 1.169 -2.935 -2.111 1.00 0.00 C ATOM 1120 C GLY A 71 2.013 -1.903 -2.833 1.00 0.00 C ATOM 1121 O GLY A 71 1.537 -0.812 -3.149 1.00 0.00 O ATOM 0 H GLY A 71 1.324 -5.025 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.131 -2.604 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.496 -3.006 -1.074 1.00 0.00 H new ATOM 1125 N LEU A 72 3.270 -2.246 -3.092 1.00 0.00 N ATOM 1126 CA LEU A 72 4.184 -1.341 -3.780 1.00 0.00 C ATOM 1127 C LEU A 72 3.566 -0.824 -5.076 1.00 0.00 C ATOM 1128 O LEU A 72 3.444 0.384 -5.278 1.00 0.00 O ATOM 1129 CB LEU A 72 5.506 -2.049 -4.078 1.00 0.00 C ATOM 1130 CG LEU A 72 6.745 -1.156 -4.148 1.00 0.00 C ATOM 1131 CD1 LEU A 72 6.505 0.018 -5.085 1.00 0.00 C ATOM 1132 CD2 LEU A 72 7.126 -0.663 -2.760 1.00 0.00 C ATOM 0 H LEU A 72 3.680 -3.144 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 72 4.375 -0.490 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.671 -2.805 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.407 -2.575 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 72 7.572 -1.746 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.398 0.642 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.281 -0.354 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.664 0.608 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.010 -0.029 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.300 -0.090 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.341 -1.517 -2.117 1.00 0.00 H new ATOM 1144 N TYR A 73 3.178 -1.747 -5.949 1.00 0.00 N ATOM 1145 CA TYR A 73 2.573 -1.385 -7.225 1.00 0.00 C ATOM 1146 C TYR A 73 1.433 -0.391 -7.026 1.00 0.00 C ATOM 1147 O TYR A 73 1.306 0.583 -7.767 1.00 0.00 O ATOM 1148 CB TYR A 73 2.056 -2.634 -7.941 1.00 0.00 C ATOM 1149 CG TYR A 73 3.152 -3.584 -8.367 1.00 0.00 C ATOM 1150 CD1 TYR A 73 4.490 -3.271 -8.160 1.00 0.00 C ATOM 1151 CD2 TYR A 73 2.850 -4.795 -8.979 1.00 0.00 C ATOM 1152 CE1 TYR A 73 5.495 -4.136 -8.549 1.00 0.00 C ATOM 1153 CE2 TYR A 73 3.848 -5.667 -9.369 1.00 0.00 C ATOM 1154 CZ TYR A 73 5.169 -5.333 -9.153 1.00 0.00 C ATOM 1155 OH TYR A 73 6.166 -6.198 -9.541 1.00 0.00 O ATOM 0 H TYR A 73 3.272 -2.751 -5.796 1.00 0.00 H new ATOM 0 HA TYR A 73 3.339 -0.913 -7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.366 -3.161 -7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.488 -2.330 -8.820 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.749 -2.335 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.817 -5.059 -9.153 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.530 -3.877 -8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.595 -6.605 -9.841 1.00 0.00 H new ATOM 0 HH TYR A 73 5.767 -6.995 -9.949 1.00 0.00 H new ATOM 1165 N VAL A 74 0.605 -0.645 -6.017 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.524 0.227 -5.717 1.00 0.00 C ATOM 1167 C VAL A 74 -0.062 1.659 -5.472 1.00 0.00 C ATOM 1168 O VAL A 74 -0.728 2.614 -5.874 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.303 -0.267 -4.483 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -2.328 0.769 -4.048 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -1.972 -1.601 -4.777 1.00 0.00 C ATOM 0 H VAL A 74 0.695 -1.448 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.182 0.203 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.599 -0.411 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.868 0.402 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.820 1.700 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.031 0.949 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.518 -1.936 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.665 -1.485 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.213 -2.339 -5.036 1.00 0.00 H new ATOM 1181 N ILE A 75 1.081 1.802 -4.810 1.00 0.00 N ATOM 1182 CA ILE A 75 1.633 3.118 -4.513 1.00 0.00 C ATOM 1183 C ILE A 75 2.165 3.788 -5.774 1.00 0.00 C ATOM 1184 O ILE A 75 2.009 4.995 -5.962 1.00 0.00 O ATOM 1185 CB ILE A 75 2.766 3.032 -3.473 1.00 0.00 C ATOM 1186 CG1 ILE A 75 2.226 2.508 -2.141 1.00 0.00 C ATOM 1187 CG2 ILE A 75 3.419 4.393 -3.288 1.00 0.00 C ATOM 1188 CD1 ILE A 75 3.304 1.996 -1.211 1.00 0.00 C ATOM 0 H ILE A 75 1.643 1.022 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 75 0.819 3.716 -4.103 1.00 0.00 H new ATOM 0 HB ILE A 75 3.521 2.335 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.676 3.306 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.515 1.705 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.218 4.316 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.834 4.730 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.674 5.110 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.848 1.641 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.839 1.176 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.002 2.802 -0.985 1.00 0.00 H new ATOM 1200 N ASP A 76 2.794 2.998 -6.637 1.00 0.00 N ATOM 1201 CA ASP A 76 3.347 3.514 -7.884 1.00 0.00 C ATOM 1202 C ASP A 76 2.236 3.956 -8.830 1.00 0.00 C ATOM 1203 O ASP A 76 2.220 5.095 -9.296 1.00 0.00 O ATOM 1204 CB ASP A 76 4.216 2.451 -8.559 1.00 0.00 C ATOM 1205 CG ASP A 76 4.815 1.476 -7.565 1.00 0.00 C ATOM 1206 OD1 ASP A 76 4.966 1.851 -6.383 1.00 0.00 O ATOM 1207 OD2 ASP A 76 5.135 0.338 -7.968 1.00 0.00 O ATOM 0 H ASP A 76 2.934 1.998 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 76 3.964 4.381 -7.648 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.616 1.902 -9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.018 2.939 -9.113 1.00 0.00 H new ATOM 1212 N SER A 77 1.308 3.046 -9.112 1.00 0.00 N ATOM 1213 CA SER A 77 0.195 3.341 -10.007 1.00 0.00 C ATOM 1214 C SER A 77 -0.485 4.649 -9.616 1.00 0.00 C ATOM 1215 O SER A 77 -0.797 5.479 -10.471 1.00 0.00 O ATOM 1216 CB SER A 77 -0.822 2.198 -9.983 1.00 0.00 C ATOM 1217 OG SER A 77 -1.581 2.166 -11.180 1.00 0.00 O ATOM 0 H SER A 77 1.305 2.099 -8.734 1.00 0.00 H new ATOM 0 HA SER A 77 0.591 3.446 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.303 1.248 -9.852 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.489 2.318 -9.129 1.00 0.00 H new ATOM 0 HG SER A 77 -2.446 2.601 -11.030 1.00 0.00 H new ATOM 1223 N ILE A 78 -0.711 4.827 -8.318 1.00 0.00 N ATOM 1224 CA ILE A 78 -1.353 6.034 -7.813 1.00 0.00 C ATOM 1225 C ILE A 78 -0.465 7.256 -8.022 1.00 0.00 C ATOM 1226 O ILE A 78 -0.753 8.110 -8.861 1.00 0.00 O ATOM 1227 CB ILE A 78 -1.690 5.908 -6.316 1.00 0.00 C ATOM 1228 CG1 ILE A 78 -2.881 4.967 -6.117 1.00 0.00 C ATOM 1229 CG2 ILE A 78 -1.985 7.277 -5.723 1.00 0.00 C ATOM 1230 CD1 ILE A 78 -2.882 4.270 -4.774 1.00 0.00 C ATOM 0 H ILE A 78 -0.459 4.150 -7.598 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.278 6.159 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.828 5.488 -5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.805 5.536 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.877 4.216 -6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.222 7.172 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.112 7.919 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.834 7.723 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.754 3.620 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.975 3.674 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.918 5.014 -3.978 1.00 0.00 H new ATOM 1242 N VAL A 79 0.617 7.333 -7.253 1.00 0.00 N ATOM 1243 CA VAL A 79 1.549 8.449 -7.355 1.00 0.00 C ATOM 1244 C VAL A 79 1.785 8.837 -8.811 1.00 0.00 C ATOM 1245 O VAL A 79 1.720 10.013 -9.169 1.00 0.00 O ATOM 1246 CB VAL A 79 2.902 8.113 -6.699 1.00 0.00 C ATOM 1247 CG1 VAL A 79 3.929 9.191 -7.010 1.00 0.00 C ATOM 1248 CG2 VAL A 79 2.736 7.939 -5.197 1.00 0.00 C ATOM 0 H VAL A 79 0.869 6.636 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 79 1.096 9.288 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 79 3.264 7.172 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.878 8.936 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.067 9.261 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.579 10.149 -6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.701 7.702 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.352 8.863 -4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.036 7.127 -5.000 1.00 0.00 H new ATOM 1258 N ARG A 80 2.060 7.840 -9.646 1.00 0.00 N ATOM 1259 CA ARG A 80 2.306 8.077 -11.063 1.00 0.00 C ATOM 1260 C ARG A 80 1.189 8.916 -11.677 1.00 0.00 C ATOM 1261 O ARG A 80 1.444 9.954 -12.286 1.00 0.00 O ATOM 1262 CB ARG A 80 2.430 6.748 -11.810 1.00 0.00 C ATOM 1263 CG ARG A 80 3.813 6.124 -11.718 1.00 0.00 C ATOM 1264 CD ARG A 80 3.795 4.665 -12.149 1.00 0.00 C ATOM 1265 NE ARG A 80 5.140 4.101 -12.223 1.00 0.00 N ATOM 1266 CZ ARG A 80 5.954 4.274 -13.258 1.00 0.00 C ATOM 1267 NH1 ARG A 80 5.562 4.994 -14.301 1.00 0.00 N ATOM 1268 NH2 ARG A 80 7.164 3.728 -13.252 1.00 0.00 N ATOM 0 H ARG A 80 2.118 6.861 -9.366 1.00 0.00 H new ATOM 0 HA ARG A 80 3.242 8.627 -11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.697 6.047 -11.411 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.181 6.906 -12.859 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.508 6.682 -12.346 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.179 6.198 -10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.197 4.086 -11.445 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.312 4.580 -13.122 1.00 0.00 H new ATOM 0 HE ARG A 80 5.473 3.543 -11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.634 5.416 -14.309 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.189 5.125 -15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.470 3.175 -12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.788 3.862 -14.048 1.00 0.00 H new ATOM 1282 N GLN A 81 -0.047 8.457 -11.511 1.00 0.00 N ATOM 1283 CA GLN A 81 -1.203 9.165 -12.050 1.00 0.00 C ATOM 1284 C GLN A 81 -1.246 10.602 -11.542 1.00 0.00 C ATOM 1285 O GLN A 81 -1.047 11.547 -12.306 1.00 0.00 O ATOM 1286 CB GLN A 81 -2.495 8.439 -11.671 1.00 0.00 C ATOM 1287 CG GLN A 81 -2.934 7.405 -12.695 1.00 0.00 C ATOM 1288 CD GLN A 81 -2.825 7.912 -14.120 1.00 0.00 C ATOM 1289 OE1 GLN A 81 -3.290 9.134 -14.351 1.00 0.00 O flip ATOM 1290 NE2 GLN A 81 -2.327 7.213 -15.003 1.00 0.00 N flip ATOM 0 H GLN A 81 -0.274 7.599 -11.008 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.111 9.185 -13.136 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.357 7.948 -10.708 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.291 9.173 -11.544 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.324 6.508 -12.585 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.966 7.116 -12.494 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.982 6.279 -14.781 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.259 7.568 -15.957 1.00 0.00 H new ATOM 1299 N SER A 82 -1.507 10.760 -10.248 1.00 0.00 N ATOM 1300 CA SER A 82 -1.581 12.083 -9.639 1.00 0.00 C ATOM 1301 C SER A 82 -0.423 12.960 -10.103 1.00 0.00 C ATOM 1302 O SER A 82 -0.625 14.087 -10.556 1.00 0.00 O ATOM 1303 CB SER A 82 -1.568 11.966 -8.114 1.00 0.00 C ATOM 1304 OG SER A 82 -0.567 11.062 -7.680 1.00 0.00 O ATOM 0 H SER A 82 -1.671 9.988 -9.601 1.00 0.00 H new ATOM 0 HA SER A 82 -2.515 12.549 -9.953 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.393 12.947 -7.672 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.544 11.629 -7.764 1.00 0.00 H new ATOM 0 HG SER A 82 0.015 11.506 -7.029 1.00 0.00 H new ATOM 1310 N ARG A 83 0.793 12.435 -9.988 1.00 0.00 N ATOM 1311 CA ARG A 83 1.985 13.169 -10.394 1.00 0.00 C ATOM 1312 C ARG A 83 1.861 13.651 -11.837 1.00 0.00 C ATOM 1313 O ARG A 83 2.446 14.667 -12.215 1.00 0.00 O ATOM 1314 CB ARG A 83 3.227 12.290 -10.244 1.00 0.00 C ATOM 1315 CG ARG A 83 4.503 12.947 -10.746 1.00 0.00 C ATOM 1316 CD ARG A 83 5.516 11.914 -11.213 1.00 0.00 C ATOM 1317 NE ARG A 83 6.746 12.534 -11.698 1.00 0.00 N ATOM 1318 CZ ARG A 83 6.854 13.120 -12.885 1.00 0.00 C ATOM 1319 NH1 ARG A 83 5.812 13.166 -13.703 1.00 0.00 N ATOM 1320 NH2 ARG A 83 8.008 13.661 -13.256 1.00 0.00 N ATOM 0 H ARG A 83 0.978 11.503 -9.617 1.00 0.00 H new ATOM 0 HA ARG A 83 2.084 14.039 -9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.352 12.029 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.070 11.358 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.266 13.623 -11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.939 13.552 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.751 11.239 -10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.077 11.309 -12.007 1.00 0.00 H new ATOM 0 HE ARG A 83 7.567 12.516 -11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.924 12.751 -13.422 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.898 13.617 -14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.812 13.627 -12.629 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.091 14.111 -14.168 1.00 0.00 H new ATOM 1334 N HIS A 84 1.096 12.916 -12.637 1.00 0.00 N ATOM 1335 CA HIS A 84 0.895 13.269 -14.038 1.00 0.00 C ATOM 1336 C HIS A 84 -0.373 14.099 -14.213 1.00 0.00 C ATOM 1337 O HIS A 84 -0.309 15.283 -14.542 1.00 0.00 O ATOM 1338 CB HIS A 84 0.814 12.006 -14.897 1.00 0.00 C ATOM 1339 CG HIS A 84 0.368 12.266 -16.303 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -0.870 12.441 -16.821 1.00 0.00 N flip ATOM 1341 CD2 HIS A 84 1.243 12.370 -17.363 1.00 0.00 C flip ATOM 1342 CE1 HIS A 84 -0.722 12.647 -18.170 1.00 0.00 C flip ATOM 1343 NE2 HIS A 84 0.563 12.599 -18.472 1.00 0.00 N flip ATOM 0 H HIS A 84 0.605 12.073 -12.340 1.00 0.00 H new ATOM 0 HA HIS A 84 1.747 13.867 -14.362 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.793 11.527 -14.918 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.125 11.302 -14.430 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.317 12.279 -17.297 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.526 12.820 -18.871 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.962 12.718 -19.403 1.00 0.00 H new ATOM 1351 N GLN A 85 -1.522 13.469 -13.992 1.00 0.00 N ATOM 1352 CA GLN A 85 -2.804 14.151 -14.127 1.00 0.00 C ATOM 1353 C GLN A 85 -2.736 15.559 -13.545 1.00 0.00 C ATOM 1354 O GLN A 85 -2.963 16.544 -14.248 1.00 0.00 O ATOM 1355 CB GLN A 85 -3.907 13.351 -13.431 1.00 0.00 C ATOM 1356 CG GLN A 85 -4.608 12.359 -14.344 1.00 0.00 C ATOM 1357 CD GLN A 85 -6.055 12.130 -13.956 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -6.301 11.081 -13.179 1.00 0.00 O flip ATOM 1359 NE2 GLN A 85 -6.943 12.887 -14.349 1.00 0.00 N flip ATOM 0 H GLN A 85 -1.592 12.489 -13.719 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.036 14.228 -15.189 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.476 12.813 -12.587 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.645 14.043 -13.025 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.564 12.723 -15.371 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.075 11.409 -14.319 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.709 13.681 -14.945 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.912 12.720 -14.079 1.00 0.00 H new ATOM 1449 N ASP A 91 1.209 16.743 -7.243 1.00 0.00 N ATOM 1450 CA ASP A 91 1.030 15.435 -6.626 1.00 0.00 C ATOM 1451 C ASP A 91 0.731 15.573 -5.136 1.00 0.00 C ATOM 1452 O ASP A 91 1.170 16.524 -4.490 1.00 0.00 O ATOM 1453 CB ASP A 91 2.278 14.575 -6.830 1.00 0.00 C ATOM 1454 CG ASP A 91 1.995 13.095 -6.661 1.00 0.00 C ATOM 1455 OD1 ASP A 91 0.898 12.753 -6.174 1.00 0.00 O ATOM 1456 OD2 ASP A 91 2.872 12.279 -7.015 1.00 0.00 O ATOM 0 HA ASP A 91 0.181 14.948 -7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.680 14.754 -7.827 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.045 14.879 -6.118 1.00 0.00 H new ATOM 1461 N VAL A 92 -0.021 14.618 -4.597 1.00 0.00 N ATOM 1462 CA VAL A 92 -0.378 14.634 -3.184 1.00 0.00 C ATOM 1463 C VAL A 92 0.024 13.331 -2.501 1.00 0.00 C ATOM 1464 O VAL A 92 0.152 13.273 -1.278 1.00 0.00 O ATOM 1465 CB VAL A 92 -1.890 14.856 -2.990 1.00 0.00 C ATOM 1466 CG1 VAL A 92 -2.283 16.261 -3.423 1.00 0.00 C ATOM 1467 CG2 VAL A 92 -2.685 13.811 -3.758 1.00 0.00 C ATOM 0 H VAL A 92 -0.394 13.824 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 92 0.165 15.462 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.122 14.749 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.354 16.400 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.739 16.992 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.038 16.399 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.751 13.983 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.450 13.883 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.424 12.817 -3.396 1.00 0.00 H new ATOM 1477 N PHE A 93 0.222 12.288 -3.300 1.00 0.00 N ATOM 1478 CA PHE A 93 0.610 10.984 -2.772 1.00 0.00 C ATOM 1479 C PHE A 93 2.128 10.836 -2.751 1.00 0.00 C ATOM 1480 O PHE A 93 2.677 10.076 -1.954 1.00 0.00 O ATOM 1481 CB PHE A 93 -0.012 9.866 -3.611 1.00 0.00 C ATOM 1482 CG PHE A 93 -1.511 9.926 -3.675 1.00 0.00 C ATOM 1483 CD1 PHE A 93 -2.146 10.769 -4.573 1.00 0.00 C ATOM 1484 CD2 PHE A 93 -2.286 9.140 -2.837 1.00 0.00 C ATOM 1485 CE1 PHE A 93 -3.526 10.827 -4.632 1.00 0.00 C ATOM 1486 CE2 PHE A 93 -3.666 9.194 -2.892 1.00 0.00 C ATOM 1487 CZ PHE A 93 -4.286 10.038 -3.792 1.00 0.00 C ATOM 0 H PHE A 93 0.120 12.319 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 93 0.242 10.909 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.389 9.917 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.288 8.903 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.557 11.387 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.806 8.477 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -4.009 11.489 -5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.258 8.577 -2.232 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.364 10.081 -3.839 1.00 0.00 H new ATOM 1497 N ALA A 94 2.800 11.567 -3.634 1.00 0.00 N ATOM 1498 CA ALA A 94 4.255 11.519 -3.717 1.00 0.00 C ATOM 1499 C ALA A 94 4.895 12.063 -2.445 1.00 0.00 C ATOM 1500 O ALA A 94 5.698 11.397 -1.791 1.00 0.00 O ATOM 1501 CB ALA A 94 4.741 12.298 -4.930 1.00 0.00 C ATOM 0 H ALA A 94 2.360 12.200 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 94 4.554 10.476 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.829 12.253 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.319 11.862 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.424 13.337 -4.846 1.00 0.00 H new ATOM 1507 N PRO A 95 4.535 13.304 -2.084 1.00 0.00 N ATOM 1508 CA PRO A 95 5.063 13.966 -0.887 1.00 0.00 C ATOM 1509 C PRO A 95 4.544 13.335 0.400 1.00 0.00 C ATOM 1510 O PRO A 95 5.173 13.445 1.453 1.00 0.00 O ATOM 1511 CB PRO A 95 4.554 15.403 -1.022 1.00 0.00 C ATOM 1512 CG PRO A 95 3.330 15.293 -1.865 1.00 0.00 C ATOM 1513 CD PRO A 95 3.583 14.156 -2.817 1.00 0.00 C ATOM 0 HA PRO A 95 6.148 13.889 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.326 15.836 -0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.300 16.045 -1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.450 15.100 -1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.144 16.221 -2.406 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.665 13.620 -3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.001 14.507 -3.760 1.00 0.00 H new ATOM 1521 N ARG A 96 3.395 12.675 0.309 1.00 0.00 N ATOM 1522 CA ARG A 96 2.791 12.027 1.467 1.00 0.00 C ATOM 1523 C ARG A 96 3.464 10.688 1.753 1.00 0.00 C ATOM 1524 O ARG A 96 3.734 10.350 2.906 1.00 0.00 O ATOM 1525 CB ARG A 96 1.293 11.819 1.239 1.00 0.00 C ATOM 1526 CG ARG A 96 0.486 11.746 2.525 1.00 0.00 C ATOM 1527 CD ARG A 96 1.257 11.039 3.628 1.00 0.00 C ATOM 1528 NE ARG A 96 0.446 10.847 4.827 1.00 0.00 N ATOM 1529 CZ ARG A 96 0.917 10.339 5.960 1.00 0.00 C ATOM 1530 NH1 ARG A 96 2.189 9.974 6.048 1.00 0.00 N ATOM 1531 NH2 ARG A 96 0.116 10.195 7.008 1.00 0.00 N ATOM 0 H ARG A 96 2.863 12.575 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 96 2.933 12.677 2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.911 12.635 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.144 10.899 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.226 12.753 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.450 11.219 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.602 10.071 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.144 11.620 3.880 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.537 11.118 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.808 10.083 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.549 9.584 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.863 10.475 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.479 9.805 7.878 1.00 0.00 H new ATOM 1545 N PHE A 97 3.733 9.929 0.696 1.00 0.00 N ATOM 1546 CA PHE A 97 4.373 8.625 0.833 1.00 0.00 C ATOM 1547 C PHE A 97 5.815 8.775 1.311 1.00 0.00 C ATOM 1548 O PHE A 97 6.282 8.013 2.157 1.00 0.00 O ATOM 1549 CB PHE A 97 4.340 7.875 -0.499 1.00 0.00 C ATOM 1550 CG PHE A 97 3.021 7.214 -0.783 1.00 0.00 C ATOM 1551 CD1 PHE A 97 2.420 6.402 0.166 1.00 0.00 C ATOM 1552 CD2 PHE A 97 2.383 7.404 -1.998 1.00 0.00 C ATOM 1553 CE1 PHE A 97 1.207 5.792 -0.093 1.00 0.00 C ATOM 1554 CE2 PHE A 97 1.169 6.797 -2.262 1.00 0.00 C ATOM 1555 CZ PHE A 97 0.581 5.991 -1.308 1.00 0.00 C ATOM 0 H PHE A 97 3.518 10.194 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 97 3.820 8.052 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.569 8.572 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.124 7.118 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.905 6.244 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.839 8.034 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.749 5.160 0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.682 6.953 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.368 5.516 -1.511 1.00 0.00 H new ATOM 1565 N SER A 98 6.514 9.762 0.760 1.00 0.00 N ATOM 1566 CA SER A 98 7.904 10.010 1.126 1.00 0.00 C ATOM 1567 C SER A 98 8.052 10.148 2.638 1.00 0.00 C ATOM 1568 O SER A 98 9.046 9.712 3.217 1.00 0.00 O ATOM 1569 CB SER A 98 8.417 11.274 0.434 1.00 0.00 C ATOM 1570 OG SER A 98 8.307 11.166 -0.975 1.00 0.00 O ATOM 0 H SER A 98 6.141 10.403 0.059 1.00 0.00 H new ATOM 0 HA SER A 98 8.498 9.157 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.850 12.138 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.458 11.445 0.708 1.00 0.00 H new ATOM 0 HG SER A 98 8.536 10.254 -1.252 1.00 0.00 H new ATOM 1576 N ASN A 99 7.055 10.758 3.270 1.00 0.00 N ATOM 1577 CA ASN A 99 7.073 10.955 4.715 1.00 0.00 C ATOM 1578 C ASN A 99 7.564 9.700 5.429 1.00 0.00 C ATOM 1579 O ASN A 99 8.691 9.652 5.919 1.00 0.00 O ATOM 1580 CB ASN A 99 5.677 11.329 5.218 1.00 0.00 C ATOM 1581 CG ASN A 99 5.303 12.758 4.877 1.00 0.00 C ATOM 1582 OD1 ASN A 99 6.161 13.570 4.528 1.00 0.00 O ATOM 1583 ND2 ASN A 99 4.017 13.073 4.978 1.00 0.00 N ATOM 0 H ASN A 99 6.225 11.124 2.805 1.00 0.00 H new ATOM 0 HA ASN A 99 7.762 11.770 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.943 10.651 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.635 11.193 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.705 14.020 4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.341 12.368 5.271 1.00 0.00 H new ATOM 1590 N ASN A 100 6.708 8.684 5.483 1.00 0.00 N ATOM 1591 CA ASN A 100 7.055 7.427 6.137 1.00 0.00 C ATOM 1592 C ASN A 100 7.332 6.336 5.107 1.00 0.00 C ATOM 1593 O ASN A 100 7.226 5.146 5.405 1.00 0.00 O ATOM 1594 CB ASN A 100 5.926 6.987 7.072 1.00 0.00 C ATOM 1595 CG ASN A 100 5.196 8.163 7.690 1.00 0.00 C ATOM 1596 OD1 ASN A 100 4.056 8.459 7.330 1.00 0.00 O ATOM 1597 ND2 ASN A 100 5.850 8.840 8.627 1.00 0.00 N ATOM 0 H ASN A 100 5.770 8.707 5.082 1.00 0.00 H new ATOM 0 HA ASN A 100 7.961 7.588 6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.216 6.374 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.337 6.361 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.409 9.641 9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.794 8.559 8.894 1.00 0.00 H new ATOM 1604 N ILE A 101 7.687 6.751 3.896 1.00 0.00 N ATOM 1605 CA ILE A 101 7.981 5.809 2.823 1.00 0.00 C ATOM 1606 C ILE A 101 8.787 4.622 3.339 1.00 0.00 C ATOM 1607 O ILE A 101 8.520 3.475 2.979 1.00 0.00 O ATOM 1608 CB ILE A 101 8.759 6.485 1.678 1.00 0.00 C ATOM 1609 CG1 ILE A 101 9.059 5.474 0.569 1.00 0.00 C ATOM 1610 CG2 ILE A 101 10.048 7.099 2.204 1.00 0.00 C ATOM 1611 CD1 ILE A 101 7.988 5.413 -0.497 1.00 0.00 C ATOM 0 H ILE A 101 7.778 7.732 3.633 1.00 0.00 H new ATOM 0 HA ILE A 101 7.023 5.456 2.442 1.00 0.00 H new ATOM 0 HB ILE A 101 8.143 7.282 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.010 5.730 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.177 4.485 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.587 7.573 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 101 9.812 7.846 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.670 6.319 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.266 4.676 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.039 5.127 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.886 6.391 -0.967 1.00 0.00 H new ATOM 1623 N ILE A 102 9.773 4.905 4.184 1.00 0.00 N ATOM 1624 CA ILE A 102 10.615 3.860 4.751 1.00 0.00 C ATOM 1625 C ILE A 102 9.779 2.816 5.483 1.00 0.00 C ATOM 1626 O ILE A 102 9.788 1.638 5.127 1.00 0.00 O ATOM 1627 CB ILE A 102 11.655 4.443 5.726 1.00 0.00 C ATOM 1628 CG1 ILE A 102 12.519 5.490 5.019 1.00 0.00 C ATOM 1629 CG2 ILE A 102 12.523 3.333 6.302 1.00 0.00 C ATOM 1630 CD1 ILE A 102 13.286 4.941 3.836 1.00 0.00 C ATOM 0 H ILE A 102 10.008 5.849 4.491 1.00 0.00 H new ATOM 0 HA ILE A 102 11.134 3.387 3.918 1.00 0.00 H new ATOM 0 HB ILE A 102 11.128 4.929 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.882 6.307 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.224 5.911 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.253 3.761 6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.895 2.621 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.043 2.821 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.876 5.738 3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 102 13.949 4.143 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.586 4.546 3.100 1.00 0.00 H new ATOM 1642 N SER A 103 9.055 3.257 6.507 1.00 0.00 N ATOM 1643 CA SER A 103 8.213 2.360 7.291 1.00 0.00 C ATOM 1644 C SER A 103 7.302 1.539 6.383 1.00 0.00 C ATOM 1645 O SER A 103 6.968 0.394 6.690 1.00 0.00 O ATOM 1646 CB SER A 103 7.373 3.158 8.289 1.00 0.00 C ATOM 1647 OG SER A 103 7.053 2.376 9.427 1.00 0.00 O ATOM 0 H SER A 103 9.034 4.230 6.813 1.00 0.00 H new ATOM 0 HA SER A 103 8.862 1.677 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.919 4.049 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.456 3.497 7.808 1.00 0.00 H new ATOM 0 HG SER A 103 6.517 2.909 10.050 1.00 0.00 H new ATOM 1653 N THR A 104 6.902 2.133 5.263 1.00 0.00 N ATOM 1654 CA THR A 104 6.029 1.459 4.311 1.00 0.00 C ATOM 1655 C THR A 104 6.769 0.347 3.577 1.00 0.00 C ATOM 1656 O THR A 104 6.252 -0.760 3.422 1.00 0.00 O ATOM 1657 CB THR A 104 5.455 2.447 3.278 1.00 0.00 C ATOM 1658 OG1 THR A 104 4.519 3.328 3.909 1.00 0.00 O ATOM 1659 CG2 THR A 104 4.772 1.704 2.140 1.00 0.00 C ATOM 0 H THR A 104 7.169 3.080 4.993 1.00 0.00 H new ATOM 0 HA THR A 104 5.209 1.028 4.885 1.00 0.00 H new ATOM 0 HB THR A 104 6.280 3.029 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.522 4.193 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.375 2.422 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.494 1.057 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.957 1.099 2.538 1.00 0.00 H new ATOM 1667 N PHE A 105 7.983 0.647 3.128 1.00 0.00 N ATOM 1668 CA PHE A 105 8.796 -0.328 2.410 1.00 0.00 C ATOM 1669 C PHE A 105 9.244 -1.452 3.339 1.00 0.00 C ATOM 1670 O PHE A 105 9.363 -2.604 2.922 1.00 0.00 O ATOM 1671 CB PHE A 105 10.017 0.353 1.788 1.00 0.00 C ATOM 1672 CG PHE A 105 9.775 0.864 0.396 1.00 0.00 C ATOM 1673 CD1 PHE A 105 8.703 1.699 0.127 1.00 0.00 C ATOM 1674 CD2 PHE A 105 10.619 0.507 -0.643 1.00 0.00 C ATOM 1675 CE1 PHE A 105 8.478 2.171 -1.152 1.00 0.00 C ATOM 1676 CE2 PHE A 105 10.399 0.976 -1.924 1.00 0.00 C ATOM 1677 CZ PHE A 105 9.326 1.808 -2.180 1.00 0.00 C ATOM 0 H PHE A 105 8.426 1.558 3.249 1.00 0.00 H new ATOM 0 HA PHE A 105 8.186 -0.758 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.322 1.184 2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.846 -0.354 1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.035 1.984 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 105 11.458 -0.145 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.640 2.823 -1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.066 0.692 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.151 2.173 -3.181 1.00 0.00 H new ATOM 1687 N GLN A 106 9.491 -1.107 4.598 1.00 0.00 N ATOM 1688 CA GLN A 106 9.928 -2.087 5.586 1.00 0.00 C ATOM 1689 C GLN A 106 8.949 -3.254 5.665 1.00 0.00 C ATOM 1690 O GLN A 106 9.355 -4.412 5.753 1.00 0.00 O ATOM 1691 CB GLN A 106 10.068 -1.429 6.960 1.00 0.00 C ATOM 1692 CG GLN A 106 11.300 -0.549 7.090 1.00 0.00 C ATOM 1693 CD GLN A 106 12.592 -1.325 6.929 1.00 0.00 C ATOM 1694 OE1 GLN A 106 12.613 -2.550 7.051 1.00 0.00 O ATOM 1695 NE2 GLN A 106 13.680 -0.615 6.653 1.00 0.00 N ATOM 0 H GLN A 106 9.396 -0.157 4.958 1.00 0.00 H new ATOM 0 HA GLN A 106 10.899 -2.472 5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.180 -0.828 7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.104 -2.206 7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.259 0.240 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.292 -0.062 8.065 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.617 0.399 6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.578 -1.084 6.534 1.00 0.00 H new ATOM 1704 N ASN A 107 7.658 -2.940 5.634 1.00 0.00 N ATOM 1705 CA ASN A 107 6.621 -3.963 5.703 1.00 0.00 C ATOM 1706 C ASN A 107 6.530 -4.735 4.390 1.00 0.00 C ATOM 1707 O ASN A 107 5.982 -5.837 4.342 1.00 0.00 O ATOM 1708 CB ASN A 107 5.268 -3.326 6.028 1.00 0.00 C ATOM 1709 CG ASN A 107 5.313 -2.483 7.288 1.00 0.00 C ATOM 1710 OD1 ASN A 107 6.292 -2.514 8.034 1.00 0.00 O ATOM 1711 ND2 ASN A 107 4.250 -1.725 7.530 1.00 0.00 N ATOM 0 H ASN A 107 7.305 -1.986 5.562 1.00 0.00 H new ATOM 0 HA ASN A 107 6.887 -4.661 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.951 -2.705 5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 107 4.519 -4.110 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 107 4.222 -1.136 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.461 -1.731 6.883 1.00 0.00 H new ATOM 1718 N LEU A 108 7.072 -4.150 3.328 1.00 0.00 N ATOM 1719 CA LEU A 108 7.053 -4.783 2.014 1.00 0.00 C ATOM 1720 C LEU A 108 8.306 -5.626 1.797 1.00 0.00 C ATOM 1721 O LEU A 108 8.276 -6.630 1.086 1.00 0.00 O ATOM 1722 CB LEU A 108 6.942 -3.723 0.917 1.00 0.00 C ATOM 1723 CG LEU A 108 5.709 -2.821 0.977 1.00 0.00 C ATOM 1724 CD1 LEU A 108 5.890 -1.608 0.077 1.00 0.00 C ATOM 1725 CD2 LEU A 108 4.461 -3.598 0.584 1.00 0.00 C ATOM 0 H LEU A 108 7.530 -3.239 3.351 1.00 0.00 H new ATOM 0 HA LEU A 108 6.184 -5.439 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.831 -3.093 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.952 -4.227 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 108 5.588 -2.471 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.002 -0.978 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.760 -1.039 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.037 -1.937 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.593 -2.941 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.573 -3.977 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.322 -4.434 1.270 1.00 0.00 H new ATOM 1737 N TYR A 109 9.406 -5.211 2.417 1.00 0.00 N ATOM 1738 CA TYR A 109 10.670 -5.928 2.292 1.00 0.00 C ATOM 1739 C TYR A 109 10.680 -7.171 3.176 1.00 0.00 C ATOM 1740 O TYR A 109 11.624 -7.961 3.143 1.00 0.00 O ATOM 1741 CB TYR A 109 11.837 -5.013 2.665 1.00 0.00 C ATOM 1742 CG TYR A 109 12.194 -4.016 1.585 1.00 0.00 C ATOM 1743 CD1 TYR A 109 12.355 -4.418 0.266 1.00 0.00 C ATOM 1744 CD2 TYR A 109 12.369 -2.670 1.886 1.00 0.00 C ATOM 1745 CE1 TYR A 109 12.682 -3.511 -0.723 1.00 0.00 C ATOM 1746 CE2 TYR A 109 12.694 -1.756 0.903 1.00 0.00 C ATOM 1747 CZ TYR A 109 12.850 -2.181 -0.400 1.00 0.00 C ATOM 1748 OH TYR A 109 13.174 -1.273 -1.382 1.00 0.00 O ATOM 0 H TYR A 109 9.448 -4.383 3.011 1.00 0.00 H new ATOM 0 HA TYR A 109 10.781 -6.242 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.587 -4.473 3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.711 -5.625 2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.222 -5.458 0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.249 -2.334 2.905 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.805 -3.842 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.825 -0.714 1.153 1.00 0.00 H new ATOM 0 HH TYR A 109 13.659 -0.520 -0.984 1.00 0.00 H new ATOM 1758 N ARG A 110 9.624 -7.337 3.965 1.00 0.00 N ATOM 1759 CA ARG A 110 9.511 -8.484 4.859 1.00 0.00 C ATOM 1760 C ARG A 110 9.313 -9.773 4.067 1.00 0.00 C ATOM 1761 O ARG A 110 9.512 -10.871 4.589 1.00 0.00 O ATOM 1762 CB ARG A 110 8.347 -8.286 5.831 1.00 0.00 C ATOM 1763 CG ARG A 110 8.266 -6.881 6.407 1.00 0.00 C ATOM 1764 CD ARG A 110 7.453 -6.852 7.691 1.00 0.00 C ATOM 1765 NE ARG A 110 8.016 -7.726 8.717 1.00 0.00 N ATOM 1766 CZ ARG A 110 7.664 -7.679 9.997 1.00 0.00 C ATOM 1767 NH1 ARG A 110 6.754 -6.806 10.406 1.00 0.00 N ATOM 1768 NH2 ARG A 110 8.222 -8.508 10.870 1.00 0.00 N ATOM 0 H ARG A 110 8.834 -6.692 4.004 1.00 0.00 H new ATOM 0 HA ARG A 110 10.439 -8.565 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.413 -8.513 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.442 -9.000 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.271 -6.508 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.815 -6.212 5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.410 -5.831 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.428 -7.157 7.478 1.00 0.00 H new ATOM 0 HE ARG A 110 8.718 -8.410 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.322 -6.168 9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.486 -6.772 11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.922 -9.182 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.951 -8.472 11.853 1.00 0.00 H new ATOM 1782 N CYS A 111 8.919 -9.632 2.806 1.00 0.00 N ATOM 1783 CA CYS A 111 8.692 -10.785 1.942 1.00 0.00 C ATOM 1784 C CYS A 111 9.862 -11.760 2.019 1.00 0.00 C ATOM 1785 O CYS A 111 10.976 -11.403 2.404 1.00 0.00 O ATOM 1786 CB CYS A 111 8.484 -10.333 0.496 1.00 0.00 C ATOM 1787 SG CYS A 111 9.683 -9.105 -0.073 1.00 0.00 S ATOM 0 H CYS A 111 8.750 -8.731 2.359 1.00 0.00 H new ATOM 0 HA CYS A 111 7.793 -11.295 2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.535 -11.204 -0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.481 -9.919 0.397 1.00 0.00 H new ATOM 0 HG CYS A 111 9.302 -7.920 0.303 1.00 0.00 H new ATOM 1793 N PRO A 112 9.606 -13.023 1.645 1.00 0.00 N ATOM 1794 CA PRO A 112 10.626 -14.076 1.664 1.00 0.00 C ATOM 1795 C PRO A 112 11.928 -13.634 1.006 1.00 0.00 C ATOM 1796 O PRO A 112 12.992 -14.190 1.278 1.00 0.00 O ATOM 1797 CB PRO A 112 9.980 -15.209 0.863 1.00 0.00 C ATOM 1798 CG PRO A 112 8.514 -14.993 1.016 1.00 0.00 C ATOM 1799 CD PRO A 112 8.302 -13.519 1.175 1.00 0.00 C ATOM 0 HA PRO A 112 10.903 -14.357 2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.278 -15.173 -0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.279 -16.185 1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.976 -15.368 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.133 -15.533 1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.013 -13.053 0.233 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.510 -13.304 1.893 1.00 0.00 H new ATOM 1807 N GLY A 113 11.838 -12.630 0.140 1.00 0.00 N ATOM 1808 CA GLY A 113 13.017 -12.130 -0.543 1.00 0.00 C ATOM 1809 C GLY A 113 12.952 -12.341 -2.042 1.00 0.00 C ATOM 1810 O GLY A 113 13.443 -11.517 -2.814 1.00 0.00 O ATOM 0 H GLY A 113 10.969 -12.153 -0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.131 -11.066 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 113 13.901 -12.629 -0.147 1.00 0.00 H new ATOM 1814 N ASP A 114 12.346 -13.448 -2.456 1.00 0.00 N ATOM 1815 CA ASP A 114 12.219 -13.766 -3.874 1.00 0.00 C ATOM 1816 C ASP A 114 11.263 -12.798 -4.564 1.00 0.00 C ATOM 1817 O ASP A 114 11.050 -12.877 -5.774 1.00 0.00 O ATOM 1818 CB ASP A 114 11.727 -15.203 -4.054 1.00 0.00 C ATOM 1819 CG ASP A 114 11.467 -15.548 -5.508 1.00 0.00 C ATOM 1820 OD1 ASP A 114 12.432 -15.912 -6.212 1.00 0.00 O ATOM 1821 OD2 ASP A 114 10.300 -15.453 -5.941 1.00 0.00 O ATOM 0 H ASP A 114 11.935 -14.141 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 114 13.203 -13.667 -4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.468 -15.891 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 114 10.811 -15.345 -3.480 1.00 0.00 H new ATOM 1826 N ASP A 115 10.690 -11.886 -3.787 1.00 0.00 N ATOM 1827 CA ASP A 115 9.756 -10.902 -4.324 1.00 0.00 C ATOM 1828 C ASP A 115 10.340 -9.495 -4.237 1.00 0.00 C ATOM 1829 O ASP A 115 9.845 -8.565 -4.875 1.00 0.00 O ATOM 1830 CB ASP A 115 8.427 -10.964 -3.569 1.00 0.00 C ATOM 1831 CG ASP A 115 8.023 -12.384 -3.225 1.00 0.00 C ATOM 1832 OD1 ASP A 115 7.910 -13.211 -4.154 1.00 0.00 O ATOM 1833 OD2 ASP A 115 7.819 -12.668 -2.026 1.00 0.00 O ATOM 0 H ASP A 115 10.855 -11.807 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 115 9.580 -11.139 -5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.505 -10.379 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.646 -10.504 -4.175 1.00 0.00 H new ATOM 1838 N LYS A 116 11.395 -9.346 -3.443 1.00 0.00 N ATOM 1839 CA LYS A 116 12.047 -8.053 -3.271 1.00 0.00 C ATOM 1840 C LYS A 116 12.301 -7.389 -4.620 1.00 0.00 C ATOM 1841 O LYS A 116 12.246 -6.165 -4.740 1.00 0.00 O ATOM 1842 CB LYS A 116 13.368 -8.221 -2.517 1.00 0.00 C ATOM 1843 CG LYS A 116 13.225 -8.108 -1.009 1.00 0.00 C ATOM 1844 CD LYS A 116 14.418 -8.715 -0.289 1.00 0.00 C ATOM 1845 CE LYS A 116 14.208 -8.736 1.218 1.00 0.00 C ATOM 1846 NZ LYS A 116 15.399 -9.267 1.936 1.00 0.00 N ATOM 0 H LYS A 116 11.817 -10.105 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 116 11.383 -7.413 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.795 -9.194 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.074 -7.466 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.125 -7.059 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.312 -8.611 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.583 -9.731 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.316 -8.144 -0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.992 -7.727 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.338 -9.348 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.216 -9.265 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.590 -10.239 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.224 -8.668 1.730 1.00 0.00 H new ATOM 1860 N SER A 117 12.578 -8.204 -5.633 1.00 0.00 N ATOM 1861 CA SER A 117 12.843 -7.694 -6.974 1.00 0.00 C ATOM 1862 C SER A 117 11.715 -6.778 -7.439 1.00 0.00 C ATOM 1863 O SER A 117 11.959 -5.692 -7.967 1.00 0.00 O ATOM 1864 CB SER A 117 13.013 -8.853 -7.958 1.00 0.00 C ATOM 1865 OG SER A 117 14.358 -9.297 -7.995 1.00 0.00 O ATOM 0 H SER A 117 12.625 -9.220 -5.551 1.00 0.00 H new ATOM 0 HA SER A 117 13.767 -7.116 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.362 -9.678 -7.669 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.704 -8.537 -8.954 1.00 0.00 H new ATOM 0 HG SER A 117 14.440 -10.039 -8.630 1.00 0.00 H new ATOM 1871 N LYS A 118 10.479 -7.223 -7.240 1.00 0.00 N ATOM 1872 CA LYS A 118 9.312 -6.444 -7.637 1.00 0.00 C ATOM 1873 C LYS A 118 9.228 -5.145 -6.842 1.00 0.00 C ATOM 1874 O LYS A 118 8.500 -4.225 -7.214 1.00 0.00 O ATOM 1875 CB LYS A 118 8.035 -7.263 -7.434 1.00 0.00 C ATOM 1876 CG LYS A 118 7.883 -8.407 -8.420 1.00 0.00 C ATOM 1877 CD LYS A 118 8.544 -9.676 -7.908 1.00 0.00 C ATOM 1878 CE LYS A 118 7.956 -10.915 -8.566 1.00 0.00 C ATOM 1879 NZ LYS A 118 8.215 -12.144 -7.766 1.00 0.00 N ATOM 0 H LYS A 118 10.259 -8.120 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 118 9.414 -6.196 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.028 -7.665 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.172 -6.603 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.825 -8.594 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.325 -8.126 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.616 -9.633 -8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.419 -9.742 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.881 -10.784 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.382 -11.034 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.799 -12.966 -8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.241 -12.284 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.787 -12.042 -6.824 1.00 0.00 H new ATOM 1893 N ILE A 119 9.978 -5.078 -5.747 1.00 0.00 N ATOM 1894 CA ILE A 119 9.989 -3.891 -4.901 1.00 0.00 C ATOM 1895 C ILE A 119 11.112 -2.940 -5.304 1.00 0.00 C ATOM 1896 O ILE A 119 10.936 -1.721 -5.307 1.00 0.00 O ATOM 1897 CB ILE A 119 10.153 -4.259 -3.415 1.00 0.00 C ATOM 1898 CG1 ILE A 119 9.123 -5.317 -3.013 1.00 0.00 C ATOM 1899 CG2 ILE A 119 10.014 -3.020 -2.544 1.00 0.00 C ATOM 1900 CD1 ILE A 119 9.385 -5.931 -1.656 1.00 0.00 C ATOM 0 H ILE A 119 10.586 -5.831 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 119 9.028 -3.396 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 119 11.150 -4.674 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.131 -4.865 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.113 -6.107 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.132 -3.297 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.781 -2.295 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.029 -2.579 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.616 -6.672 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.363 -6.413 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.365 -5.152 -0.894 1.00 0.00 H new ATOM 1912 N VAL A 120 12.265 -3.505 -5.646 1.00 0.00 N ATOM 1913 CA VAL A 120 13.416 -2.709 -6.054 1.00 0.00 C ATOM 1914 C VAL A 120 13.264 -2.218 -7.489 1.00 0.00 C ATOM 1915 O VAL A 120 13.938 -1.278 -7.909 1.00 0.00 O ATOM 1916 CB VAL A 120 14.725 -3.511 -5.933 1.00 0.00 C ATOM 1917 CG1 VAL A 120 14.794 -4.221 -4.590 1.00 0.00 C ATOM 1918 CG2 VAL A 120 14.848 -4.505 -7.078 1.00 0.00 C ATOM 0 H VAL A 120 12.427 -4.512 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 120 13.461 -1.851 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 120 15.563 -2.817 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 120 15.726 -4.783 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 120 14.755 -3.485 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 120 13.951 -4.905 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 120 15.779 -5.063 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.006 -5.196 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.848 -3.969 -8.027 1.00 0.00 H new ATOM 1928 N ARG A 121 12.373 -2.862 -8.237 1.00 0.00 N ATOM 1929 CA ARG A 121 12.133 -2.491 -9.627 1.00 0.00 C ATOM 1930 C ARG A 121 11.383 -1.165 -9.714 1.00 0.00 C ATOM 1931 O ARG A 121 11.567 -0.397 -10.658 1.00 0.00 O ATOM 1932 CB ARG A 121 11.337 -3.587 -10.338 1.00 0.00 C ATOM 1933 CG ARG A 121 9.863 -3.607 -9.968 1.00 0.00 C ATOM 1934 CD ARG A 121 9.022 -4.240 -11.065 1.00 0.00 C ATOM 1935 NE ARG A 121 9.452 -3.820 -12.396 1.00 0.00 N ATOM 1936 CZ ARG A 121 9.241 -4.534 -13.496 1.00 0.00 C ATOM 1937 NH1 ARG A 121 8.609 -5.698 -13.424 1.00 0.00 N ATOM 1938 NH2 ARG A 121 9.662 -4.085 -14.671 1.00 0.00 N ATOM 0 H ARG A 121 11.806 -3.642 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 121 13.099 -2.375 -10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.431 -3.451 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 121 11.776 -4.556 -10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 121 9.727 -4.161 -9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 121 9.519 -2.589 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 121 9.085 -5.326 -10.989 1.00 0.00 H new ATOM 0 HD3 ARG A 121 7.976 -3.971 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 121 9.941 -2.929 -12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 121 8.284 -6.047 -12.522 1.00 0.00 H new ATOM 0 HH12 ARG A 121 8.448 -6.244 -14.270 1.00 0.00 H new ATOM 0 HH21 ARG A 121 10.148 -3.190 -14.731 1.00 0.00 H new ATOM 0 HH22 ARG A 121 9.499 -4.634 -15.515 1.00 0.00 H new ATOM 1952 N VAL A 122 10.537 -0.903 -8.723 1.00 0.00 N ATOM 1953 CA VAL A 122 9.760 0.330 -8.687 1.00 0.00 C ATOM 1954 C VAL A 122 10.659 1.540 -8.455 1.00 0.00 C ATOM 1955 O VAL A 122 10.536 2.558 -9.137 1.00 0.00 O ATOM 1956 CB VAL A 122 8.685 0.284 -7.585 1.00 0.00 C ATOM 1957 CG1 VAL A 122 7.680 1.410 -7.772 1.00 0.00 C ATOM 1958 CG2 VAL A 122 7.989 -1.068 -7.576 1.00 0.00 C ATOM 0 H VAL A 122 10.372 -1.528 -7.934 1.00 0.00 H new ATOM 0 HA VAL A 122 9.272 0.425 -9.657 1.00 0.00 H new ATOM 0 HB VAL A 122 9.173 0.422 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.928 1.361 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.195 2.369 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.195 1.308 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.233 -1.083 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.513 -1.239 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.722 -1.853 -7.389 1.00 0.00 H new ATOM 1968 N LEU A 123 11.563 1.421 -7.489 1.00 0.00 N ATOM 1969 CA LEU A 123 12.485 2.505 -7.167 1.00 0.00 C ATOM 1970 C LEU A 123 13.233 2.972 -8.411 1.00 0.00 C ATOM 1971 O LEU A 123 13.280 4.165 -8.708 1.00 0.00 O ATOM 1972 CB LEU A 123 13.481 2.053 -6.098 1.00 0.00 C ATOM 1973 CG LEU A 123 12.879 1.599 -4.768 1.00 0.00 C ATOM 1974 CD1 LEU A 123 13.977 1.198 -3.795 1.00 0.00 C ATOM 1975 CD2 LEU A 123 12.013 2.700 -4.173 1.00 0.00 C ATOM 0 H LEU A 123 11.677 0.585 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 123 11.902 3.342 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.072 1.233 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.169 2.875 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 123 12.250 0.728 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 123 13.530 0.878 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.557 0.378 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.632 2.050 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.592 2.360 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.621 3.589 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.205 2.941 -4.864 1.00 0.00 H new ATOM 1987 N ASN A 124 13.815 2.022 -9.137 1.00 0.00 N ATOM 1988 CA ASN A 124 14.560 2.336 -10.351 1.00 0.00 C ATOM 1989 C ASN A 124 13.706 3.152 -11.317 1.00 0.00 C ATOM 1990 O ASN A 124 14.218 3.995 -12.055 1.00 0.00 O ATOM 1991 CB ASN A 124 15.032 1.049 -11.031 1.00 0.00 C ATOM 1992 CG ASN A 124 16.341 0.540 -10.460 1.00 0.00 C ATOM 1993 OD1 ASN A 124 17.418 0.991 -10.849 1.00 0.00 O ATOM 1994 ND2 ASN A 124 16.253 -0.406 -9.532 1.00 0.00 N ATOM 0 H ASN A 124 13.785 1.029 -8.906 1.00 0.00 H new ATOM 0 HA ASN A 124 15.429 2.931 -10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 124 14.267 0.281 -10.919 1.00 0.00 H new ATOM 0 HB3 ASN A 124 15.150 1.228 -12.100 1.00 0.00 H new ATOM 0 HD21 ASN A 124 17.100 -0.788 -9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.338 -0.750 -9.240 1.00 0.00 H new ATOM 2001 N LEU A 125 12.403 2.897 -11.306 1.00 0.00 N ATOM 2002 CA LEU A 125 11.477 3.608 -12.181 1.00 0.00 C ATOM 2003 C LEU A 125 11.163 4.995 -11.629 1.00 0.00 C ATOM 2004 O LEU A 125 11.055 5.963 -12.382 1.00 0.00 O ATOM 2005 CB LEU A 125 10.183 2.808 -12.346 1.00 0.00 C ATOM 2006 CG LEU A 125 10.230 1.657 -13.352 1.00 0.00 C ATOM 2007 CD1 LEU A 125 9.154 0.629 -13.037 1.00 0.00 C ATOM 2008 CD2 LEU A 125 10.069 2.182 -14.771 1.00 0.00 C ATOM 0 H LEU A 125 11.963 2.203 -10.701 1.00 0.00 H new ATOM 0 HA LEU A 125 11.952 3.723 -13.155 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.903 2.403 -11.373 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.391 3.494 -12.646 1.00 0.00 H new ATOM 0 HG LEU A 125 11.202 1.171 -13.274 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.202 -0.183 -13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.314 0.230 -12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.173 1.102 -13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.105 1.349 -15.473 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.111 2.693 -14.863 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.876 2.880 -14.994 1.00 0.00 H new ATOM 2020 N TRP A 126 11.020 5.083 -10.312 1.00 0.00 N ATOM 2021 CA TRP A 126 10.721 6.353 -9.659 1.00 0.00 C ATOM 2022 C TRP A 126 11.854 7.352 -9.867 1.00 0.00 C ATOM 2023 O TRP A 126 11.627 8.477 -10.310 1.00 0.00 O ATOM 2024 CB TRP A 126 10.483 6.137 -8.164 1.00 0.00 C ATOM 2025 CG TRP A 126 9.113 5.617 -7.850 1.00 0.00 C ATOM 2026 CD1 TRP A 126 8.044 5.558 -8.698 1.00 0.00 C ATOM 2027 CD2 TRP A 126 8.665 5.085 -6.599 1.00 0.00 C ATOM 2028 NE1 TRP A 126 6.958 5.021 -8.049 1.00 0.00 N ATOM 2029 CE2 TRP A 126 7.313 4.722 -6.761 1.00 0.00 C ATOM 2030 CE3 TRP A 126 9.273 4.877 -5.358 1.00 0.00 C ATOM 2031 CZ2 TRP A 126 6.563 4.165 -5.728 1.00 0.00 C ATOM 2032 CZ3 TRP A 126 8.528 4.325 -4.334 1.00 0.00 C ATOM 2033 CH2 TRP A 126 7.185 3.973 -4.524 1.00 0.00 C ATOM 0 H TRP A 126 11.106 4.291 -9.675 1.00 0.00 H new ATOM 0 HA TRP A 126 9.816 6.760 -10.109 1.00 0.00 H new ATOM 0 HB2 TRP A 126 11.226 5.437 -7.783 1.00 0.00 H new ATOM 0 HB3 TRP A 126 10.635 7.080 -7.639 1.00 0.00 H new ATOM 0 HD1 TRP A 126 8.051 5.885 -9.727 1.00 0.00 H new ATOM 0 HE1 TRP A 126 6.037 4.870 -8.460 1.00 0.00 H new ATOM 0 HE3 TRP A 126 10.308 5.143 -5.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 5.527 3.894 -5.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 8.988 4.162 -3.371 1.00 0.00 H new ATOM 0 HH2 TRP A 126 6.630 3.542 -3.704 1.00 0.00 H new ATOM 2044 N GLN A 127 13.074 6.933 -9.545 1.00 0.00 N ATOM 2045 CA GLN A 127 14.241 7.793 -9.697 1.00 0.00 C ATOM 2046 C GLN A 127 14.372 8.284 -11.135 1.00 0.00 C ATOM 2047 O GLN A 127 15.017 9.300 -11.399 1.00 0.00 O ATOM 2048 CB GLN A 127 15.510 7.044 -9.283 1.00 0.00 C ATOM 2049 CG GLN A 127 16.594 7.949 -8.720 1.00 0.00 C ATOM 2050 CD GLN A 127 17.950 7.273 -8.669 1.00 0.00 C ATOM 2051 OE1 GLN A 127 18.533 6.946 -9.703 1.00 0.00 O ATOM 2052 NE2 GLN A 127 18.460 7.059 -7.461 1.00 0.00 N ATOM 0 H GLN A 127 13.279 6.004 -9.178 1.00 0.00 H new ATOM 0 HA GLN A 127 14.110 8.659 -9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 127 15.251 6.293 -8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.906 6.511 -10.148 1.00 0.00 H new ATOM 0 HG2 GLN A 127 16.664 8.849 -9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 127 16.312 8.266 -7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.942 7.346 -6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 127 19.369 6.607 -7.364 1.00 0.00 H new ATOM 2061 N LYS A 128 13.757 7.557 -12.061 1.00 0.00 N ATOM 2062 CA LYS A 128 13.804 7.918 -13.473 1.00 0.00 C ATOM 2063 C LYS A 128 12.703 8.917 -13.816 1.00 0.00 C ATOM 2064 O LYS A 128 12.961 9.955 -14.423 1.00 0.00 O ATOM 2065 CB LYS A 128 13.663 6.669 -14.345 1.00 0.00 C ATOM 2066 CG LYS A 128 13.153 6.959 -15.746 1.00 0.00 C ATOM 2067 CD LYS A 128 13.098 5.698 -16.592 1.00 0.00 C ATOM 2068 CE LYS A 128 12.143 5.855 -17.765 1.00 0.00 C ATOM 2069 NZ LYS A 128 11.619 4.542 -18.234 1.00 0.00 N ATOM 0 H LYS A 128 13.220 6.714 -11.859 1.00 0.00 H new ATOM 0 HA LYS A 128 14.769 8.385 -13.671 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.632 6.174 -14.415 1.00 0.00 H new ATOM 0 HB3 LYS A 128 12.983 5.971 -13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.159 7.403 -15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.802 7.692 -16.226 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.096 5.464 -16.963 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.782 4.858 -15.974 1.00 0.00 H new ATOM 0 HE2 LYS A 128 11.310 6.495 -17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.656 6.356 -18.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 10.972 4.692 -19.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 12.411 3.940 -18.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 11.107 4.075 -17.458 1.00 0.00 H new ATOM 2083 N ASN A 129 11.475 8.595 -13.421 1.00 0.00 N ATOM 2084 CA ASN A 129 10.335 9.465 -13.686 1.00 0.00 C ATOM 2085 C ASN A 129 10.370 10.698 -12.788 1.00 0.00 C ATOM 2086 O ASN A 129 9.460 11.524 -12.815 1.00 0.00 O ATOM 2087 CB ASN A 129 9.025 8.703 -13.473 1.00 0.00 C ATOM 2088 CG ASN A 129 8.680 7.807 -14.647 1.00 0.00 C ATOM 2089 OD1 ASN A 129 8.055 8.245 -15.613 1.00 0.00 O ATOM 2090 ND2 ASN A 129 9.085 6.545 -14.568 1.00 0.00 N ATOM 0 H ASN A 129 11.244 7.739 -12.917 1.00 0.00 H new ATOM 0 HA ASN A 129 10.394 9.792 -14.724 1.00 0.00 H new ATOM 0 HB2 ASN A 129 9.102 8.099 -12.569 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.216 9.415 -13.313 1.00 0.00 H new ATOM 0 HD21 ASN A 129 8.881 5.895 -15.327 1.00 0.00 H new ATOM 0 HD22 ASN A 129 9.601 6.225 -13.748 1.00 0.00 H new ATOM 2097 N ASN A 130 11.430 10.814 -11.994 1.00 0.00 N ATOM 2098 CA ASN A 130 11.585 11.946 -11.087 1.00 0.00 C ATOM 2099 C ASN A 130 10.478 11.957 -10.037 1.00 0.00 C ATOM 2100 O ASN A 130 10.142 13.005 -9.486 1.00 0.00 O ATOM 2101 CB ASN A 130 11.573 13.259 -11.872 1.00 0.00 C ATOM 2102 CG ASN A 130 12.742 13.371 -12.830 1.00 0.00 C ATOM 2103 OD1 ASN A 130 13.793 12.766 -12.618 1.00 0.00 O ATOM 2104 ND2 ASN A 130 12.564 14.148 -13.893 1.00 0.00 N ATOM 0 H ASN A 130 12.194 10.139 -11.960 1.00 0.00 H new ATOM 0 HA ASN A 130 12.543 11.844 -10.577 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.640 13.336 -12.431 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.597 14.096 -11.174 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.316 14.262 -14.573 1.00 0.00 H new ATOM 0 HD22 ASN A 130 11.676 14.631 -14.029 1.00 0.00 H new ATOM 2111 N VAL A 131 9.917 10.783 -9.764 1.00 0.00 N ATOM 2112 CA VAL A 131 8.849 10.657 -8.779 1.00 0.00 C ATOM 2113 C VAL A 131 9.358 10.965 -7.375 1.00 0.00 C ATOM 2114 O VAL A 131 8.732 11.716 -6.627 1.00 0.00 O ATOM 2115 CB VAL A 131 8.237 9.244 -8.793 1.00 0.00 C ATOM 2116 CG1 VAL A 131 7.025 9.178 -7.876 1.00 0.00 C ATOM 2117 CG2 VAL A 131 7.864 8.839 -10.211 1.00 0.00 C ATOM 0 H VAL A 131 10.184 9.906 -10.211 1.00 0.00 H new ATOM 0 HA VAL A 131 8.080 11.380 -9.051 1.00 0.00 H new ATOM 0 HB VAL A 131 8.983 8.541 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.606 8.172 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.326 9.423 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.274 9.892 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.433 7.838 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.135 9.544 -10.611 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.756 8.844 -10.837 1.00 0.00 H new ATOM 2127 N PHE A 132 10.498 10.379 -7.024 1.00 0.00 N ATOM 2128 CA PHE A 132 11.092 10.590 -5.709 1.00 0.00 C ATOM 2129 C PHE A 132 12.552 11.016 -5.833 1.00 0.00 C ATOM 2130 O PHE A 132 13.261 10.586 -6.743 1.00 0.00 O ATOM 2131 CB PHE A 132 10.991 9.315 -4.869 1.00 0.00 C ATOM 2132 CG PHE A 132 9.584 8.969 -4.471 1.00 0.00 C ATOM 2133 CD1 PHE A 132 8.736 8.330 -5.361 1.00 0.00 C ATOM 2134 CD2 PHE A 132 9.111 9.283 -3.208 1.00 0.00 C ATOM 2135 CE1 PHE A 132 7.441 8.012 -4.997 1.00 0.00 C ATOM 2136 CE2 PHE A 132 7.817 8.967 -2.838 1.00 0.00 C ATOM 2137 CZ PHE A 132 6.981 8.329 -3.734 1.00 0.00 C ATOM 0 H PHE A 132 11.029 9.755 -7.631 1.00 0.00 H new ATOM 0 HA PHE A 132 10.540 11.388 -5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 132 11.416 8.484 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 132 11.596 9.433 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 132 9.090 8.078 -6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 132 9.761 9.781 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 132 6.789 7.516 -5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 132 7.460 9.218 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 132 5.970 8.079 -3.447 1.00 0.00 H new ATOM 2147 N LYS A 133 12.995 11.865 -4.912 1.00 0.00 N ATOM 2148 CA LYS A 133 14.370 12.350 -4.916 1.00 0.00 C ATOM 2149 C LYS A 133 15.342 11.233 -4.547 1.00 0.00 C ATOM 2150 O LYS A 133 15.006 10.335 -3.775 1.00 0.00 O ATOM 2151 CB LYS A 133 14.523 13.517 -3.938 1.00 0.00 C ATOM 2152 CG LYS A 133 14.694 13.082 -2.493 1.00 0.00 C ATOM 2153 CD LYS A 133 14.728 14.275 -1.552 1.00 0.00 C ATOM 2154 CE LYS A 133 15.511 15.434 -2.149 1.00 0.00 C ATOM 2155 NZ LYS A 133 15.806 16.484 -1.135 1.00 0.00 N ATOM 0 H LYS A 133 12.421 12.232 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 133 14.605 12.694 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.385 14.116 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.646 14.161 -4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.875 12.419 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.616 12.510 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.710 14.597 -1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.179 13.980 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 133 16.445 15.063 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.943 15.871 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 16.341 17.257 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 14.914 16.857 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 16.370 16.073 -0.364 1.00 0.00 H new ATOM 2169 N SER A 134 16.548 11.297 -5.103 1.00 0.00 N ATOM 2170 CA SER A 134 17.567 10.290 -4.834 1.00 0.00 C ATOM 2171 C SER A 134 17.828 10.167 -3.336 1.00 0.00 C ATOM 2172 O SER A 134 18.197 9.101 -2.845 1.00 0.00 O ATOM 2173 CB SER A 134 18.866 10.642 -5.561 1.00 0.00 C ATOM 2174 OG SER A 134 19.510 11.747 -4.950 1.00 0.00 O ATOM 0 H SER A 134 16.843 12.035 -5.742 1.00 0.00 H new ATOM 0 HA SER A 134 17.201 9.331 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 134 19.534 9.780 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 134 18.651 10.874 -6.604 1.00 0.00 H new ATOM 0 HG SER A 134 20.338 11.951 -5.432 1.00 0.00 H new ATOM 2180 N GLU A 135 17.632 11.267 -2.615 1.00 0.00 N ATOM 2181 CA GLU A 135 17.846 11.282 -1.173 1.00 0.00 C ATOM 2182 C GLU A 135 16.779 10.461 -0.455 1.00 0.00 C ATOM 2183 O GLU A 135 16.933 10.111 0.715 1.00 0.00 O ATOM 2184 CB GLU A 135 17.837 12.720 -0.649 1.00 0.00 C ATOM 2185 CG GLU A 135 17.397 12.836 0.801 1.00 0.00 C ATOM 2186 CD GLU A 135 17.551 14.243 1.346 1.00 0.00 C ATOM 2187 OE1 GLU A 135 18.671 14.790 1.272 1.00 0.00 O ATOM 2188 OE2 GLU A 135 16.550 14.798 1.846 1.00 0.00 O ATOM 0 H GLU A 135 17.326 12.158 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 135 18.820 10.835 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 135 18.837 13.141 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 135 17.173 13.320 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 135 16.355 12.529 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.983 12.148 1.411 1.00 0.00 H new ATOM 2195 N ILE A 136 15.698 10.157 -1.165 1.00 0.00 N ATOM 2196 CA ILE A 136 14.606 9.377 -0.597 1.00 0.00 C ATOM 2197 C ILE A 136 14.647 7.934 -1.089 1.00 0.00 C ATOM 2198 O ILE A 136 14.370 7.002 -0.334 1.00 0.00 O ATOM 2199 CB ILE A 136 13.236 9.988 -0.946 1.00 0.00 C ATOM 2200 CG1 ILE A 136 12.997 11.259 -0.129 1.00 0.00 C ATOM 2201 CG2 ILE A 136 12.126 8.977 -0.700 1.00 0.00 C ATOM 2202 CD1 ILE A 136 11.991 12.200 -0.755 1.00 0.00 C ATOM 0 H ILE A 136 15.555 10.439 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 136 14.737 9.393 0.485 1.00 0.00 H new ATOM 0 HB ILE A 136 13.232 10.252 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 136 12.652 10.981 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 136 13.944 11.784 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 136 11.164 9.424 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 136 12.291 8.097 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 136 12.127 8.684 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 136 11.872 13.079 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 136 12.344 12.507 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 136 11.032 11.692 -0.856 1.00 0.00 H new ATOM 2214 N ILE A 137 14.995 7.758 -2.360 1.00 0.00 N ATOM 2215 CA ILE A 137 15.075 6.429 -2.952 1.00 0.00 C ATOM 2216 C ILE A 137 16.405 5.758 -2.621 1.00 0.00 C ATOM 2217 O ILE A 137 16.464 4.548 -2.408 1.00 0.00 O ATOM 2218 CB ILE A 137 14.907 6.483 -4.482 1.00 0.00 C ATOM 2219 CG1 ILE A 137 13.611 7.208 -4.849 1.00 0.00 C ATOM 2220 CG2 ILE A 137 14.918 5.078 -5.066 1.00 0.00 C ATOM 2221 CD1 ILE A 137 13.130 6.911 -6.252 1.00 0.00 C ATOM 0 H ILE A 137 15.226 8.519 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 137 14.260 5.844 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 137 15.744 7.038 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.833 6.926 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.763 8.282 -4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.798 5.133 -6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.865 4.593 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 137 14.098 4.500 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.207 7.458 -6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.890 7.219 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 137 12.946 5.842 -6.355 1.00 0.00 H new ATOM 2233 N GLN A 138 17.468 6.555 -2.578 1.00 0.00 N ATOM 2234 CA GLN A 138 18.797 6.038 -2.272 1.00 0.00 C ATOM 2235 C GLN A 138 18.726 4.955 -1.200 1.00 0.00 C ATOM 2236 O GLN A 138 19.222 3.842 -1.375 1.00 0.00 O ATOM 2237 CB GLN A 138 19.713 7.172 -1.807 1.00 0.00 C ATOM 2238 CG GLN A 138 20.848 6.707 -0.910 1.00 0.00 C ATOM 2239 CD GLN A 138 21.879 5.880 -1.653 1.00 0.00 C ATOM 2240 OE1 GLN A 138 22.811 6.419 -2.250 1.00 0.00 O ATOM 2241 NE2 GLN A 138 21.716 4.563 -1.620 1.00 0.00 N ATOM 0 H GLN A 138 17.435 7.560 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 138 19.207 5.598 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 138 20.132 7.671 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 138 19.118 7.912 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 138 21.335 7.576 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 138 20.439 6.118 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 138 20.929 4.159 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 138 22.378 3.955 -2.102 1.00 0.00 H new ATOM 2250 N PRO A 139 18.095 5.286 -0.064 1.00 0.00 N ATOM 2251 CA PRO A 139 17.945 4.355 1.058 1.00 0.00 C ATOM 2252 C PRO A 139 16.982 3.216 0.741 1.00 0.00 C ATOM 2253 O PRO A 139 17.235 2.061 1.086 1.00 0.00 O ATOM 2254 CB PRO A 139 17.382 5.235 2.177 1.00 0.00 C ATOM 2255 CG PRO A 139 16.692 6.351 1.470 1.00 0.00 C ATOM 2256 CD PRO A 139 17.481 6.595 0.213 1.00 0.00 C ATOM 0 HA PRO A 139 18.887 3.869 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.690 4.678 2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 139 18.175 5.607 2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 139 15.660 6.087 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.660 7.246 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.840 6.920 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 139 18.234 7.370 0.355 1.00 0.00 H new ATOM 2264 N LEU A 140 15.878 3.548 0.081 1.00 0.00 N ATOM 2265 CA LEU A 140 14.876 2.552 -0.284 1.00 0.00 C ATOM 2266 C LEU A 140 15.493 1.444 -1.132 1.00 0.00 C ATOM 2267 O LEU A 140 15.028 0.304 -1.117 1.00 0.00 O ATOM 2268 CB LEU A 140 13.725 3.212 -1.045 1.00 0.00 C ATOM 2269 CG LEU A 140 12.905 4.239 -0.263 1.00 0.00 C ATOM 2270 CD1 LEU A 140 11.869 4.892 -1.165 1.00 0.00 C ATOM 2271 CD2 LEU A 140 12.234 3.584 0.936 1.00 0.00 C ATOM 0 H LEU A 140 15.654 4.499 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 140 14.489 2.109 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.134 3.700 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 140 13.052 2.430 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 140 13.580 5.014 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.295 5.620 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 140 12.371 5.395 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 140 11.197 4.129 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.655 4.329 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.571 2.789 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.995 3.164 1.594 1.00 0.00 H new ATOM 2283 N LEU A 141 16.544 1.787 -1.868 1.00 0.00 N ATOM 2284 CA LEU A 141 17.228 0.821 -2.722 1.00 0.00 C ATOM 2285 C LEU A 141 18.037 -0.166 -1.887 1.00 0.00 C ATOM 2286 O LEU A 141 18.210 -1.324 -2.270 1.00 0.00 O ATOM 2287 CB LEU A 141 18.145 1.543 -3.710 1.00 0.00 C ATOM 2288 CG LEU A 141 17.473 2.098 -4.967 1.00 0.00 C ATOM 2289 CD1 LEU A 141 18.370 3.123 -5.643 1.00 0.00 C ATOM 2290 CD2 LEU A 141 17.129 0.970 -5.929 1.00 0.00 C ATOM 0 H LEU A 141 16.941 2.726 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 141 16.473 0.265 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 141 18.631 2.367 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 141 18.931 0.853 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 141 16.548 2.593 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 141 17.876 3.507 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 141 18.566 3.945 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 141 19.312 2.653 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.652 1.383 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 141 18.041 0.446 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.448 0.272 -5.442 1.00 0.00 H new ATOM 2302 N ASP A 142 18.530 0.298 -0.744 1.00 0.00 N ATOM 2303 CA ASP A 142 19.319 -0.545 0.147 1.00 0.00 C ATOM 2304 C ASP A 142 18.414 -1.406 1.023 1.00 0.00 C ATOM 2305 O ASP A 142 18.587 -2.622 1.104 1.00 0.00 O ATOM 2306 CB ASP A 142 20.229 0.316 1.024 1.00 0.00 C ATOM 2307 CG ASP A 142 20.457 -0.292 2.394 1.00 0.00 C ATOM 2308 OD1 ASP A 142 19.661 -0.002 3.312 1.00 0.00 O ATOM 2309 OD2 ASP A 142 21.430 -1.058 2.548 1.00 0.00 O ATOM 0 H ASP A 142 18.397 1.253 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 142 19.935 -1.203 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.189 0.450 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.788 1.306 1.138 1.00 0.00 H new ATOM 2314 N MET A 143 17.450 -0.767 1.677 1.00 0.00 N ATOM 2315 CA MET A 143 16.518 -1.475 2.547 1.00 0.00 C ATOM 2316 C MET A 143 16.178 -2.848 1.975 1.00 0.00 C ATOM 2317 O MET A 143 16.039 -3.821 2.716 1.00 0.00 O ATOM 2318 CB MET A 143 15.239 -0.657 2.734 1.00 0.00 C ATOM 2319 CG MET A 143 15.489 0.751 3.251 1.00 0.00 C ATOM 2320 SD MET A 143 14.139 1.363 4.278 1.00 0.00 S ATOM 2321 CE MET A 143 12.719 0.775 3.358 1.00 0.00 C ATOM 0 H MET A 143 17.294 0.239 1.621 1.00 0.00 H new ATOM 0 HA MET A 143 16.997 -1.612 3.516 1.00 0.00 H new ATOM 0 HB2 MET A 143 14.713 -0.597 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 143 14.582 -1.179 3.429 1.00 0.00 H new ATOM 0 HG2 MET A 143 16.414 0.763 3.828 1.00 0.00 H new ATOM 0 HG3 MET A 143 15.632 1.424 2.406 1.00 0.00 H new ATOM 0 HE1 MET A 143 11.817 1.262 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 143 12.848 1.009 2.301 1.00 0.00 H new ATOM 0 HE3 MET A 143 12.626 -0.304 3.482 1.00 0.00 H new ATOM 2331 N ALA A 144 16.044 -2.918 0.655 1.00 0.00 N ATOM 2332 CA ALA A 144 15.722 -4.172 -0.014 1.00 0.00 C ATOM 2333 C ALA A 144 16.839 -5.195 0.168 1.00 0.00 C ATOM 2334 O ALA A 144 16.582 -6.364 0.455 1.00 0.00 O ATOM 2335 CB ALA A 144 15.462 -3.929 -1.494 1.00 0.00 C ATOM 0 H ALA A 144 16.153 -2.121 0.028 1.00 0.00 H new ATOM 0 HA ALA A 144 14.818 -4.576 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 144 15.223 -4.874 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.625 -3.240 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.352 -3.499 -1.954 1.00 0.00 H new