USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 786 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: B 204 CYS SG : rot -176:sc= -0.38 USER MOD Set 1.2: B 207 CYS SG : rot -66:sc= -1.24 USER MOD Set 1.3: B 219 HIS : no HD1:sc= 0.0824 X(o=-1.1,f=-1.4) USER MOD Set 1.4: B 223 CYS SG : rot 84:sc= 0.421 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -165:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 90:sc= 0.887 USER MOD Set 3.1: A 7 THR OG1 : rot 130:sc= -0.597 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.672 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.921 (180deg=0.83) USER MOD Single : A 2 GLN : amide:sc= -0.383 K(o=-0.38,f=-5.6!) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -1.08 (180deg=-2.13!) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0592 USER MOD Single : A 20 SER OG : rot -40:sc= 0.482 USER MOD Single : A 22 THR OG1 : rot 33:sc= 0.00439 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.371) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.889 X(o=-0.89,f=-0.65) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0.784 (180deg=0.753) USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -70:sc= 1.42 USER MOD Single : A 60 ASN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0125 X(o=0.012,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 0.567 (180deg=0.313) USER MOD Single : A 65 SER OG : rot -130:sc= 0.352 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-1.8!) USER MOD Single : B 217 ASN : amide:sc= 0.121 K(o=0.12,f=-3.3!) USER MOD Single : B 218 LYS NZ :NH3+ -179:sc= 0.063 (180deg=0.063) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N MET A 1 6.095 9.322 -0.204 1.00 0.00 N ATOM 40 CA MET A 1 6.809 10.560 -0.571 1.00 0.00 C ATOM 41 C MET A 1 7.313 11.299 0.680 1.00 0.00 C ATOM 42 O MET A 1 6.752 11.167 1.769 1.00 0.00 O ATOM 43 CB MET A 1 5.879 11.489 -1.388 1.00 0.00 C ATOM 44 CG MET A 1 5.222 10.821 -2.604 1.00 0.00 C ATOM 45 SD MET A 1 6.441 10.075 -3.706 1.00 0.00 S ATOM 46 CE MET A 1 5.404 9.372 -4.981 1.00 0.00 C ATOM 0 H1 MET A 1 5.825 8.808 -1.067 1.00 0.00 H new ATOM 0 H2 MET A 1 6.716 8.722 0.376 1.00 0.00 H new ATOM 0 H3 MET A 1 5.240 9.562 0.338 1.00 0.00 H new ATOM 0 HA MET A 1 7.671 10.285 -1.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.097 11.868 -0.731 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.454 12.350 -1.729 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.524 10.056 -2.264 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.641 11.561 -3.154 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.028 8.880 -5.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.726 8.643 -4.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.825 10.164 -5.457 1.00 0.00 H new ATOM 56 N GLN A 2 8.351 12.111 0.498 1.00 0.00 N ATOM 57 CA GLN A 2 9.010 12.824 1.599 1.00 0.00 C ATOM 58 C GLN A 2 8.421 14.218 1.794 1.00 0.00 C ATOM 59 O GLN A 2 8.398 15.018 0.869 1.00 0.00 O ATOM 60 CB GLN A 2 10.548 12.914 1.385 1.00 0.00 C ATOM 61 CG GLN A 2 11.306 11.579 1.615 1.00 0.00 C ATOM 62 CD GLN A 2 11.348 10.629 0.407 1.00 0.00 C ATOM 63 OE1 GLN A 2 10.460 10.599 -0.445 1.00 0.00 O ATOM 64 NE2 GLN A 2 12.384 9.824 0.346 1.00 0.00 N ATOM 0 H GLN A 2 8.763 12.296 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 2 8.827 12.245 2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.742 13.257 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.953 13.669 2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.330 11.808 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.841 11.056 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.107 9.868 1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.466 9.155 -0.420 1.00 0.00 H new ATOM 73 N ILE A 3 7.970 14.475 3.028 1.00 0.00 N ATOM 74 CA ILE A 3 7.447 15.774 3.492 1.00 0.00 C ATOM 75 C ILE A 3 8.280 16.223 4.694 1.00 0.00 C ATOM 76 O ILE A 3 8.908 15.397 5.373 1.00 0.00 O ATOM 77 CB ILE A 3 5.905 15.743 3.886 1.00 0.00 C ATOM 78 CG1 ILE A 3 5.567 14.615 4.934 1.00 0.00 C ATOM 79 CG2 ILE A 3 5.014 15.623 2.628 1.00 0.00 C ATOM 80 CD1 ILE A 3 5.517 13.191 4.376 1.00 0.00 C ATOM 0 H ILE A 3 7.957 13.763 3.758 1.00 0.00 H new ATOM 0 HA ILE A 3 7.528 16.475 2.661 1.00 0.00 H new ATOM 0 HB ILE A 3 5.686 16.693 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.311 14.649 5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.603 14.843 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.965 15.604 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.190 16.477 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.257 14.703 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.277 12.494 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.752 13.130 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.486 12.933 3.949 1.00 0.00 H new ATOM 92 N PHE A 4 8.275 17.534 4.953 1.00 0.00 N ATOM 93 CA PHE A 4 9.153 18.158 5.962 1.00 0.00 C ATOM 94 C PHE A 4 8.315 18.786 7.088 1.00 0.00 C ATOM 95 O PHE A 4 7.686 19.813 6.908 1.00 0.00 O ATOM 96 CB PHE A 4 10.062 19.223 5.288 1.00 0.00 C ATOM 97 CG PHE A 4 10.863 18.684 4.102 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.977 17.869 4.308 1.00 0.00 C ATOM 99 CD2 PHE A 4 10.504 18.986 2.785 1.00 0.00 C ATOM 100 CE1 PHE A 4 12.695 17.363 3.243 1.00 0.00 C ATOM 101 CE2 PHE A 4 11.225 18.480 1.719 1.00 0.00 C ATOM 102 CZ PHE A 4 12.325 17.674 1.950 1.00 0.00 C ATOM 0 H PHE A 4 7.665 18.196 4.473 1.00 0.00 H new ATOM 0 HA PHE A 4 9.788 17.390 6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.444 20.054 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.753 19.621 6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.282 17.630 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.652 19.623 2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.547 16.723 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.929 18.714 0.707 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.895 17.288 1.118 1.00 0.00 H new ATOM 112 N VAL A 5 8.292 18.141 8.245 1.00 0.00 N ATOM 113 CA VAL A 5 7.634 18.671 9.449 1.00 0.00 C ATOM 114 C VAL A 5 8.693 19.393 10.298 1.00 0.00 C ATOM 115 O VAL A 5 9.701 18.804 10.644 1.00 0.00 O ATOM 116 CB VAL A 5 6.930 17.507 10.244 1.00 0.00 C ATOM 117 CG1 VAL A 5 6.519 17.940 11.659 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.701 16.984 9.457 1.00 0.00 C ATOM 0 H VAL A 5 8.729 17.230 8.385 1.00 0.00 H new ATOM 0 HA VAL A 5 6.854 19.383 9.179 1.00 0.00 H new ATOM 0 HB VAL A 5 7.655 16.700 10.351 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.038 17.106 12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.404 18.245 12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.823 18.777 11.596 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.225 16.180 10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.989 17.797 9.312 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.024 16.607 8.487 1.00 0.00 H new ATOM 128 N LYS A 6 8.472 20.680 10.580 1.00 0.00 N ATOM 129 CA LYS A 6 9.458 21.541 11.256 1.00 0.00 C ATOM 130 C LYS A 6 8.992 21.856 12.692 1.00 0.00 C ATOM 131 O LYS A 6 7.927 22.455 12.862 1.00 0.00 O ATOM 132 CB LYS A 6 9.608 22.870 10.453 1.00 0.00 C ATOM 133 CG LYS A 6 10.911 23.652 10.740 1.00 0.00 C ATOM 134 CD LYS A 6 12.107 23.110 9.923 1.00 0.00 C ATOM 135 CE LYS A 6 13.424 23.838 10.232 1.00 0.00 C ATOM 136 NZ LYS A 6 14.459 23.558 9.208 1.00 0.00 N ATOM 0 H LYS A 6 7.603 21.160 10.347 1.00 0.00 H new ATOM 0 HA LYS A 6 10.417 21.024 11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.563 22.643 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.757 23.513 10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.760 24.706 10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.142 23.592 11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.229 22.047 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.887 23.205 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.243 24.912 10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.789 23.530 11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.391 23.847 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.470 22.540 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.243 24.091 8.341 1.00 0.00 H new ATOM 150 N THR A 7 9.787 21.475 13.718 1.00 0.00 N ATOM 151 CA THR A 7 9.442 21.759 15.126 1.00 0.00 C ATOM 152 C THR A 7 9.734 23.212 15.504 1.00 0.00 C ATOM 153 O THR A 7 10.452 23.933 14.796 1.00 0.00 O ATOM 154 CB THR A 7 10.208 20.834 16.123 1.00 0.00 C ATOM 155 OG1 THR A 7 11.614 20.865 15.845 1.00 0.00 O ATOM 156 CG2 THR A 7 9.677 19.405 16.091 1.00 0.00 C ATOM 0 H THR A 7 10.667 20.973 13.596 1.00 0.00 H new ATOM 0 HA THR A 7 8.372 21.566 15.205 1.00 0.00 H new ATOM 0 HB THR A 7 10.041 21.215 17.130 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.108 21.037 16.674 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.236 18.793 16.799 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.622 19.403 16.364 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.793 18.996 15.087 1.00 0.00 H new ATOM 164 N LEU A 8 9.195 23.595 16.668 1.00 0.00 N ATOM 165 CA LEU A 8 9.426 24.903 17.287 1.00 0.00 C ATOM 166 C LEU A 8 10.861 25.028 17.839 1.00 0.00 C ATOM 167 O LEU A 8 11.340 26.140 18.073 1.00 0.00 O ATOM 168 CB LEU A 8 8.416 25.111 18.427 1.00 0.00 C ATOM 169 CG LEU A 8 6.913 25.013 18.060 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.043 25.189 19.318 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.525 26.024 16.951 1.00 0.00 C ATOM 0 H LEU A 8 8.577 22.994 17.213 1.00 0.00 H new ATOM 0 HA LEU A 8 9.295 25.668 16.521 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.624 24.375 19.203 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.595 26.094 18.864 1.00 0.00 H new ATOM 0 HG LEU A 8 6.728 24.018 17.654 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.990 25.118 19.045 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.284 24.408 20.039 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.238 26.166 19.761 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.464 25.924 16.722 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.728 27.038 17.296 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.110 25.822 16.054 1.00 0.00 H new ATOM 183 N THR A 9 11.528 23.877 18.071 1.00 0.00 N ATOM 184 CA THR A 9 12.946 23.839 18.480 1.00 0.00 C ATOM 185 C THR A 9 13.859 24.061 17.261 1.00 0.00 C ATOM 186 O THR A 9 15.039 24.387 17.414 1.00 0.00 O ATOM 187 CB THR A 9 13.303 22.492 19.202 1.00 0.00 C ATOM 188 OG1 THR A 9 12.852 21.375 18.412 1.00 0.00 O ATOM 189 CG2 THR A 9 12.685 22.415 20.613 1.00 0.00 C ATOM 0 H THR A 9 11.101 22.955 17.981 1.00 0.00 H new ATOM 0 HA THR A 9 13.110 24.646 19.194 1.00 0.00 H new ATOM 0 HB THR A 9 14.387 22.454 19.310 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.080 20.538 18.868 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.956 21.467 21.078 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.061 23.238 21.221 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.600 22.485 20.539 1.00 0.00 H new ATOM 197 N GLY A 10 13.289 23.893 16.051 1.00 0.00 N ATOM 198 CA GLY A 10 13.948 24.291 14.806 1.00 0.00 C ATOM 199 C GLY A 10 14.554 23.149 14.018 1.00 0.00 C ATOM 200 O GLY A 10 15.363 23.394 13.109 1.00 0.00 O ATOM 0 H GLY A 10 12.366 23.480 15.917 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.223 24.805 14.175 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.733 25.010 15.040 1.00 0.00 H new ATOM 204 N LYS A 11 14.182 21.906 14.347 1.00 0.00 N ATOM 205 CA LYS A 11 14.659 20.724 13.603 1.00 0.00 C ATOM 206 C LYS A 11 13.645 20.369 12.501 1.00 0.00 C ATOM 207 O LYS A 11 12.452 20.683 12.616 1.00 0.00 O ATOM 208 CB LYS A 11 14.908 19.504 14.540 1.00 0.00 C ATOM 209 CG LYS A 11 13.671 18.628 14.829 1.00 0.00 C ATOM 210 CD LYS A 11 13.969 17.348 15.653 1.00 0.00 C ATOM 211 CE LYS A 11 14.541 16.185 14.808 1.00 0.00 C ATOM 212 NZ LYS A 11 15.843 16.504 14.165 1.00 0.00 N ATOM 0 H LYS A 11 13.554 21.688 15.121 1.00 0.00 H new ATOM 0 HA LYS A 11 15.618 20.972 13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.680 18.877 14.094 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.302 19.870 15.488 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.934 19.227 15.365 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.217 18.338 13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.677 17.593 16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.051 17.016 16.138 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.664 15.310 15.446 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.819 15.918 14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.359 15.622 13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.675 17.011 13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.407 17.102 14.802 1.00 0.00 H new ATOM 226 N THR A 12 14.140 19.743 11.434 1.00 0.00 N ATOM 227 CA THR A 12 13.301 19.165 10.385 1.00 0.00 C ATOM 228 C THR A 12 13.108 17.663 10.667 1.00 0.00 C ATOM 229 O THR A 12 14.024 16.981 11.155 1.00 0.00 O ATOM 230 CB THR A 12 13.959 19.349 8.986 1.00 0.00 C ATOM 231 OG1 THR A 12 14.337 20.719 8.796 1.00 0.00 O ATOM 232 CG2 THR A 12 13.019 18.919 7.840 1.00 0.00 C ATOM 0 H THR A 12 15.140 19.622 11.272 1.00 0.00 H new ATOM 0 HA THR A 12 12.338 19.675 10.383 1.00 0.00 H new ATOM 0 HB THR A 12 14.840 18.708 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.252 20.854 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.521 19.065 6.884 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.760 17.867 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.111 19.521 7.869 1.00 0.00 H new ATOM 240 N ILE A 13 11.903 17.174 10.367 1.00 0.00 N ATOM 241 CA ILE A 13 11.523 15.766 10.492 1.00 0.00 C ATOM 242 C ILE A 13 10.991 15.314 9.122 1.00 0.00 C ATOM 243 O ILE A 13 9.870 15.659 8.739 1.00 0.00 O ATOM 244 CB ILE A 13 10.428 15.528 11.614 1.00 0.00 C ATOM 245 CG1 ILE A 13 10.901 16.052 13.015 1.00 0.00 C ATOM 246 CG2 ILE A 13 10.046 14.039 11.710 1.00 0.00 C ATOM 247 CD1 ILE A 13 10.647 17.525 13.262 1.00 0.00 C ATOM 0 H ILE A 13 11.145 17.762 10.021 1.00 0.00 H new ATOM 0 HA ILE A 13 12.395 15.185 10.794 1.00 0.00 H new ATOM 0 HB ILE A 13 9.547 16.099 11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.398 15.476 13.791 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.969 15.860 13.117 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.294 13.906 12.487 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.643 13.704 10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.930 13.452 11.957 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.007 17.795 14.255 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.173 18.116 12.512 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.578 17.726 13.197 1.00 0.00 H new ATOM 259 N THR A 14 11.827 14.581 8.371 1.00 0.00 N ATOM 260 CA THR A 14 11.458 14.047 7.056 1.00 0.00 C ATOM 261 C THR A 14 10.713 12.718 7.242 1.00 0.00 C ATOM 262 O THR A 14 11.275 11.771 7.797 1.00 0.00 O ATOM 263 CB THR A 14 12.723 13.837 6.152 1.00 0.00 C ATOM 264 OG1 THR A 14 13.433 15.086 6.019 1.00 0.00 O ATOM 265 CG2 THR A 14 12.360 13.294 4.750 1.00 0.00 C ATOM 0 H THR A 14 12.776 14.343 8.660 1.00 0.00 H new ATOM 0 HA THR A 14 10.810 14.767 6.556 1.00 0.00 H new ATOM 0 HB THR A 14 13.354 13.092 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.880 15.725 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.269 13.166 4.163 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.855 12.333 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.699 14.000 4.246 1.00 0.00 H new ATOM 273 N LEU A 15 9.438 12.675 6.813 1.00 0.00 N ATOM 274 CA LEU A 15 8.617 11.440 6.819 1.00 0.00 C ATOM 275 C LEU A 15 8.524 10.924 5.393 1.00 0.00 C ATOM 276 O LEU A 15 8.625 11.706 4.455 1.00 0.00 O ATOM 277 CB LEU A 15 7.160 11.674 7.346 1.00 0.00 C ATOM 278 CG LEU A 15 6.990 12.489 8.667 1.00 0.00 C ATOM 279 CD1 LEU A 15 7.991 12.043 9.748 1.00 0.00 C ATOM 280 CD2 LEU A 15 7.076 14.006 8.415 1.00 0.00 C ATOM 0 H LEU A 15 8.944 13.491 6.452 1.00 0.00 H new ATOM 0 HA LEU A 15 9.101 10.730 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.597 12.183 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.695 10.699 7.491 1.00 0.00 H new ATOM 0 HG LEU A 15 5.990 12.276 9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.839 12.635 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.835 10.988 9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.008 12.190 9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.953 14.539 9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.048 14.249 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.288 14.305 7.724 1.00 0.00 H new ATOM 292 N GLU A 16 8.326 9.616 5.241 1.00 0.00 N ATOM 293 CA GLU A 16 8.043 8.999 3.938 1.00 0.00 C ATOM 294 C GLU A 16 6.612 8.436 3.995 1.00 0.00 C ATOM 295 O GLU A 16 6.406 7.312 4.455 1.00 0.00 O ATOM 296 CB GLU A 16 9.062 7.877 3.570 1.00 0.00 C ATOM 297 CG GLU A 16 10.560 8.287 3.583 1.00 0.00 C ATOM 298 CD GLU A 16 11.174 8.326 4.994 1.00 0.00 C ATOM 299 OE1 GLU A 16 11.288 7.251 5.620 1.00 0.00 O ATOM 300 OE2 GLU A 16 11.531 9.416 5.487 1.00 0.00 O ATOM 0 H GLU A 16 8.356 8.951 6.014 1.00 0.00 H new ATOM 0 HA GLU A 16 8.138 9.754 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.927 7.048 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.817 7.503 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.126 7.586 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.663 9.270 3.123 1.00 0.00 H new ATOM 307 N VAL A 17 5.618 9.254 3.603 1.00 0.00 N ATOM 308 CA VAL A 17 4.198 8.831 3.514 1.00 0.00 C ATOM 309 C VAL A 17 3.586 9.434 2.247 1.00 0.00 C ATOM 310 O VAL A 17 4.160 10.332 1.623 1.00 0.00 O ATOM 311 CB VAL A 17 3.315 9.251 4.768 1.00 0.00 C ATOM 312 CG1 VAL A 17 3.953 8.832 6.114 1.00 0.00 C ATOM 313 CG2 VAL A 17 2.994 10.759 4.757 1.00 0.00 C ATOM 0 H VAL A 17 5.771 10.227 3.338 1.00 0.00 H new ATOM 0 HA VAL A 17 4.196 7.741 3.490 1.00 0.00 H new ATOM 0 HB VAL A 17 2.377 8.704 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.308 9.144 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.073 7.749 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.928 9.308 6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.389 11.009 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.923 11.329 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.443 11.007 3.850 1.00 0.00 H new ATOM 323 N GLU A 18 2.395 8.973 1.902 1.00 0.00 N ATOM 324 CA GLU A 18 1.701 9.422 0.691 1.00 0.00 C ATOM 325 C GLU A 18 0.824 10.645 1.032 1.00 0.00 C ATOM 326 O GLU A 18 0.402 10.794 2.189 1.00 0.00 O ATOM 327 CB GLU A 18 0.857 8.248 0.125 1.00 0.00 C ATOM 328 CG GLU A 18 1.600 6.898 0.184 1.00 0.00 C ATOM 329 CD GLU A 18 0.952 5.791 -0.653 1.00 0.00 C ATOM 330 OE1 GLU A 18 1.255 5.694 -1.860 1.00 0.00 O ATOM 331 OE2 GLU A 18 0.139 5.017 -0.110 1.00 0.00 O ATOM 0 H GLU A 18 1.879 8.281 2.445 1.00 0.00 H new ATOM 0 HA GLU A 18 2.417 9.724 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.074 8.171 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.588 8.465 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.625 7.044 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.653 6.570 1.222 1.00 0.00 H new ATOM 338 N PRO A 19 0.536 11.554 0.044 1.00 0.00 N ATOM 339 CA PRO A 19 -0.432 12.659 0.251 1.00 0.00 C ATOM 340 C PRO A 19 -1.860 12.112 0.496 1.00 0.00 C ATOM 341 O PRO A 19 -2.664 12.731 1.192 1.00 0.00 O ATOM 342 CB PRO A 19 -0.335 13.476 -1.067 1.00 0.00 C ATOM 343 CG PRO A 19 0.165 12.491 -2.079 1.00 0.00 C ATOM 344 CD PRO A 19 1.127 11.597 -1.327 1.00 0.00 C ATOM 0 HA PRO A 19 -0.213 13.265 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.304 13.884 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.347 14.320 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.656 11.914 -2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.663 12.996 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.188 10.604 -1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.137 12.006 -1.319 1.00 0.00 H new ATOM 352 N SER A 20 -2.122 10.903 -0.037 1.00 0.00 N ATOM 353 CA SER A 20 -3.430 10.244 0.026 1.00 0.00 C ATOM 354 C SER A 20 -3.443 9.177 1.151 1.00 0.00 C ATOM 355 O SER A 20 -4.358 8.358 1.217 1.00 0.00 O ATOM 356 CB SER A 20 -3.723 9.611 -1.366 1.00 0.00 C ATOM 357 OG SER A 20 -5.015 9.041 -1.437 1.00 0.00 O ATOM 0 H SER A 20 -1.418 10.353 -0.529 1.00 0.00 H new ATOM 0 HA SER A 20 -4.210 10.967 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.623 10.374 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.978 8.844 -1.577 1.00 0.00 H new ATOM 0 HG SER A 20 -5.215 8.578 -0.597 1.00 0.00 H new ATOM 363 N ASP A 21 -2.429 9.221 2.058 1.00 0.00 N ATOM 364 CA ASP A 21 -2.260 8.216 3.131 1.00 0.00 C ATOM 365 C ASP A 21 -3.215 8.550 4.313 1.00 0.00 C ATOM 366 O ASP A 21 -4.391 8.176 4.261 1.00 0.00 O ATOM 367 CB ASP A 21 -0.757 8.150 3.549 1.00 0.00 C ATOM 368 CG ASP A 21 -0.374 6.876 4.312 1.00 0.00 C ATOM 369 OD1 ASP A 21 -0.699 6.764 5.509 1.00 0.00 O ATOM 370 OD2 ASP A 21 0.238 5.970 3.699 1.00 0.00 O ATOM 0 H ASP A 21 -1.715 9.949 2.062 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.534 7.222 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.139 8.224 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.525 9.016 4.170 1.00 0.00 H new ATOM 375 N THR A 22 -2.712 9.284 5.344 1.00 0.00 N ATOM 376 CA THR A 22 -3.515 9.799 6.479 1.00 0.00 C ATOM 377 C THR A 22 -2.604 10.572 7.450 1.00 0.00 C ATOM 378 O THR A 22 -1.431 10.213 7.636 1.00 0.00 O ATOM 379 CB THR A 22 -4.303 8.681 7.276 1.00 0.00 C ATOM 380 OG1 THR A 22 -5.057 9.269 8.355 1.00 0.00 O ATOM 381 CG2 THR A 22 -3.388 7.583 7.848 1.00 0.00 C ATOM 0 H THR A 22 -1.725 9.535 5.407 1.00 0.00 H new ATOM 0 HA THR A 22 -4.269 10.453 6.042 1.00 0.00 H new ATOM 0 HB THR A 22 -4.970 8.211 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.360 10.163 8.093 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.991 6.849 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.856 7.092 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.669 8.030 8.534 1.00 0.00 H new ATOM 389 N ILE A 23 -3.167 11.633 8.060 1.00 0.00 N ATOM 390 CA ILE A 23 -2.473 12.488 9.050 1.00 0.00 C ATOM 391 C ILE A 23 -2.057 11.674 10.298 1.00 0.00 C ATOM 392 O ILE A 23 -0.994 11.929 10.881 1.00 0.00 O ATOM 393 CB ILE A 23 -3.385 13.701 9.499 1.00 0.00 C ATOM 394 CG1 ILE A 23 -3.743 14.654 8.305 1.00 0.00 C ATOM 395 CG2 ILE A 23 -2.761 14.510 10.666 1.00 0.00 C ATOM 396 CD1 ILE A 23 -2.550 15.295 7.614 1.00 0.00 C ATOM 0 H ILE A 23 -4.127 11.926 7.879 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.578 12.877 8.564 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.311 13.254 9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.311 14.088 7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.398 15.444 8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.426 15.331 10.936 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.622 13.857 11.528 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.796 14.912 10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.899 15.935 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.991 15.893 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.903 14.517 7.209 1.00 0.00 H new ATOM 408 N GLU A 24 -2.916 10.707 10.692 1.00 0.00 N ATOM 409 CA GLU A 24 -2.671 9.822 11.854 1.00 0.00 C ATOM 410 C GLU A 24 -1.342 9.048 11.691 1.00 0.00 C ATOM 411 O GLU A 24 -0.607 8.816 12.668 1.00 0.00 O ATOM 412 CB GLU A 24 -3.862 8.835 12.039 1.00 0.00 C ATOM 413 CG GLU A 24 -3.797 7.944 13.307 1.00 0.00 C ATOM 414 CD GLU A 24 -3.980 8.723 14.629 1.00 0.00 C ATOM 415 OE1 GLU A 24 -2.995 9.285 15.149 1.00 0.00 O ATOM 416 OE2 GLU A 24 -5.110 8.766 15.162 1.00 0.00 O ATOM 0 H GLU A 24 -3.797 10.518 10.214 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.589 10.443 12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.787 9.410 12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.915 8.188 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.568 7.176 13.239 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.836 7.430 13.329 1.00 0.00 H new ATOM 423 N ASN A 25 -1.029 8.688 10.435 1.00 0.00 N ATOM 424 CA ASN A 25 0.217 7.978 10.095 1.00 0.00 C ATOM 425 C ASN A 25 1.402 8.933 10.168 1.00 0.00 C ATOM 426 O ASN A 25 2.447 8.579 10.695 1.00 0.00 O ATOM 427 CB ASN A 25 0.144 7.372 8.683 1.00 0.00 C ATOM 428 CG ASN A 25 1.290 6.390 8.388 1.00 0.00 C ATOM 429 OD1 ASN A 25 2.321 6.757 7.834 1.00 0.00 O ATOM 430 ND2 ASN A 25 1.134 5.155 8.817 1.00 0.00 N ATOM 0 H ASN A 25 -1.627 8.879 9.631 1.00 0.00 H new ATOM 0 HA ASN A 25 0.347 7.171 10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.809 6.856 8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.164 8.176 7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.883 4.473 8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.265 4.880 9.274 1.00 0.00 H new ATOM 437 N VAL A 26 1.201 10.146 9.627 1.00 0.00 N ATOM 438 CA VAL A 26 2.249 11.193 9.566 1.00 0.00 C ATOM 439 C VAL A 26 2.769 11.527 10.977 1.00 0.00 C ATOM 440 O VAL A 26 3.971 11.505 11.207 1.00 0.00 O ATOM 441 CB VAL A 26 1.745 12.517 8.868 1.00 0.00 C ATOM 442 CG1 VAL A 26 2.890 13.556 8.691 1.00 0.00 C ATOM 443 CG2 VAL A 26 1.070 12.210 7.519 1.00 0.00 C ATOM 0 H VAL A 26 0.312 10.434 9.219 1.00 0.00 H new ATOM 0 HA VAL A 26 3.058 10.783 8.961 1.00 0.00 H new ATOM 0 HB VAL A 26 1.002 12.963 9.529 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.498 14.451 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.296 13.820 9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.679 13.126 8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.733 13.140 7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.784 11.718 6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.214 11.554 7.681 1.00 0.00 H new ATOM 453 N LYS A 27 1.841 11.791 11.918 1.00 0.00 N ATOM 454 CA LYS A 27 2.181 12.130 13.319 1.00 0.00 C ATOM 455 C LYS A 27 2.808 10.920 14.052 1.00 0.00 C ATOM 456 O LYS A 27 3.661 11.091 14.948 1.00 0.00 O ATOM 457 CB LYS A 27 0.935 12.671 14.070 1.00 0.00 C ATOM 458 CG LYS A 27 -0.212 11.663 14.263 1.00 0.00 C ATOM 459 CD LYS A 27 -1.450 12.289 14.946 1.00 0.00 C ATOM 460 CE LYS A 27 -2.150 13.334 14.065 1.00 0.00 C ATOM 461 NZ LYS A 27 -3.248 14.030 14.785 1.00 0.00 N ATOM 0 H LYS A 27 0.838 11.776 11.732 1.00 0.00 H new ATOM 0 HA LYS A 27 2.930 12.921 13.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.250 13.028 15.050 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.550 13.533 13.525 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.503 11.260 13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.144 10.825 14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.158 11.500 15.198 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.146 12.755 15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.419 14.067 13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.552 12.847 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.869 14.503 14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.800 13.337 15.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.845 14.738 15.432 1.00 0.00 H new ATOM 475 N ALA A 28 2.398 9.692 13.638 1.00 0.00 N ATOM 476 CA ALA A 28 3.038 8.445 14.100 1.00 0.00 C ATOM 477 C ALA A 28 4.497 8.368 13.608 1.00 0.00 C ATOM 478 O ALA A 28 5.373 7.859 14.316 1.00 0.00 O ATOM 479 CB ALA A 28 2.235 7.219 13.617 1.00 0.00 C ATOM 0 H ALA A 28 1.627 9.546 12.986 1.00 0.00 H new ATOM 0 HA ALA A 28 3.047 8.444 15.190 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.719 6.307 13.965 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.222 7.267 14.016 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.196 7.216 12.528 1.00 0.00 H new ATOM 485 N LYS A 29 4.738 8.903 12.389 1.00 0.00 N ATOM 486 CA LYS A 29 6.073 8.932 11.781 1.00 0.00 C ATOM 487 C LYS A 29 6.966 9.989 12.464 1.00 0.00 C ATOM 488 O LYS A 29 8.170 9.796 12.517 1.00 0.00 O ATOM 489 CB LYS A 29 6.029 9.164 10.237 1.00 0.00 C ATOM 490 CG LYS A 29 5.286 8.107 9.378 1.00 0.00 C ATOM 491 CD LYS A 29 5.685 6.629 9.680 1.00 0.00 C ATOM 492 CE LYS A 29 4.675 5.917 10.600 1.00 0.00 C ATOM 493 NZ LYS A 29 5.179 4.603 11.080 1.00 0.00 N ATOM 0 H LYS A 29 4.012 9.323 11.808 1.00 0.00 H new ATOM 0 HA LYS A 29 6.509 7.946 11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.565 10.133 10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.056 9.230 9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.213 8.219 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.478 8.314 8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.766 6.080 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.670 6.611 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.455 6.554 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.738 5.770 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.466 4.161 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.365 3.984 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.059 4.743 11.616 1.00 0.00 H new ATOM 507 N ILE A 30 6.382 11.110 12.965 1.00 0.00 N ATOM 508 CA ILE A 30 7.108 12.066 13.839 1.00 0.00 C ATOM 509 C ILE A 30 7.717 11.323 15.048 1.00 0.00 C ATOM 510 O ILE A 30 8.909 11.472 15.343 1.00 0.00 O ATOM 511 CB ILE A 30 6.183 13.280 14.312 1.00 0.00 C ATOM 512 CG1 ILE A 30 6.130 14.416 13.229 1.00 0.00 C ATOM 513 CG2 ILE A 30 6.608 13.868 15.685 1.00 0.00 C ATOM 514 CD1 ILE A 30 5.316 14.113 11.991 1.00 0.00 C ATOM 0 H ILE A 30 5.414 11.372 12.778 1.00 0.00 H new ATOM 0 HA ILE A 30 7.915 12.504 13.251 1.00 0.00 H new ATOM 0 HB ILE A 30 5.184 12.862 14.436 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.727 15.316 13.694 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.150 14.646 12.922 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.942 14.689 15.951 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.549 13.091 16.447 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.631 14.237 15.621 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.351 14.967 11.315 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.728 13.237 11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.282 13.917 12.274 1.00 0.00 H new ATOM 526 N GLN A 31 6.896 10.483 15.704 1.00 0.00 N ATOM 527 CA GLN A 31 7.366 9.656 16.833 1.00 0.00 C ATOM 528 C GLN A 31 8.401 8.600 16.368 1.00 0.00 C ATOM 529 O GLN A 31 9.302 8.233 17.119 1.00 0.00 O ATOM 530 CB GLN A 31 6.173 8.980 17.557 1.00 0.00 C ATOM 531 CG GLN A 31 6.573 8.234 18.852 1.00 0.00 C ATOM 532 CD GLN A 31 5.402 7.644 19.652 1.00 0.00 C ATOM 533 OE1 GLN A 31 5.471 7.542 20.875 1.00 0.00 O ATOM 534 NE2 GLN A 31 4.326 7.256 18.986 1.00 0.00 N ATOM 0 H GLN A 31 5.910 10.358 15.475 1.00 0.00 H new ATOM 0 HA GLN A 31 7.864 10.317 17.542 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.430 9.739 17.800 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.697 8.276 16.875 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.258 7.427 18.591 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.122 8.922 19.495 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.293 7.351 17.971 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.530 6.862 19.488 1.00 0.00 H new ATOM 543 N ASP A 32 8.260 8.141 15.120 1.00 0.00 N ATOM 544 CA ASP A 32 9.190 7.167 14.500 1.00 0.00 C ATOM 545 C ASP A 32 10.575 7.804 14.209 1.00 0.00 C ATOM 546 O ASP A 32 11.594 7.103 14.214 1.00 0.00 O ATOM 547 CB ASP A 32 8.548 6.602 13.197 1.00 0.00 C ATOM 548 CG ASP A 32 9.460 5.647 12.400 1.00 0.00 C ATOM 549 OD1 ASP A 32 9.611 4.478 12.806 1.00 0.00 O ATOM 550 OD2 ASP A 32 10.037 6.067 11.372 1.00 0.00 O ATOM 0 H ASP A 32 7.500 8.429 14.504 1.00 0.00 H new ATOM 0 HA ASP A 32 9.360 6.350 15.201 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.630 6.075 13.458 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.266 7.436 12.554 1.00 0.00 H new ATOM 555 N LYS A 33 10.604 9.138 13.985 1.00 0.00 N ATOM 556 CA LYS A 33 11.835 9.855 13.581 1.00 0.00 C ATOM 557 C LYS A 33 12.475 10.571 14.786 1.00 0.00 C ATOM 558 O LYS A 33 13.534 10.152 15.261 1.00 0.00 O ATOM 559 CB LYS A 33 11.518 10.885 12.463 1.00 0.00 C ATOM 560 CG LYS A 33 10.901 10.298 11.176 1.00 0.00 C ATOM 561 CD LYS A 33 11.864 9.410 10.367 1.00 0.00 C ATOM 562 CE LYS A 33 11.193 8.830 9.107 1.00 0.00 C ATOM 563 NZ LYS A 33 12.165 8.085 8.269 1.00 0.00 N ATOM 0 H LYS A 33 9.786 9.741 14.078 1.00 0.00 H new ATOM 0 HA LYS A 33 12.543 9.120 13.199 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.834 11.633 12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.439 11.404 12.200 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.021 9.713 11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.560 11.117 10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.738 9.993 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.220 8.594 10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.379 8.167 9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.752 9.638 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.707 7.795 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.979 8.696 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.491 7.241 8.782 1.00 0.00 H new ATOM 577 N GLU A 34 11.808 11.632 15.309 1.00 0.00 N ATOM 578 CA GLU A 34 12.365 12.458 16.403 1.00 0.00 C ATOM 579 C GLU A 34 12.098 11.818 17.780 1.00 0.00 C ATOM 580 O GLU A 34 12.813 12.104 18.744 1.00 0.00 O ATOM 581 CB GLU A 34 11.837 13.922 16.351 1.00 0.00 C ATOM 582 CG GLU A 34 10.331 14.113 16.656 1.00 0.00 C ATOM 583 CD GLU A 34 9.902 15.601 16.735 1.00 0.00 C ATOM 584 OE1 GLU A 34 10.441 16.335 17.596 1.00 0.00 O ATOM 585 OE2 GLU A 34 9.039 16.036 15.947 1.00 0.00 O ATOM 0 H GLU A 34 10.887 11.932 14.989 1.00 0.00 H new ATOM 0 HA GLU A 34 13.444 12.498 16.257 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.409 14.519 17.061 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.040 14.325 15.359 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.745 13.614 15.884 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.094 13.624 17.601 1.00 0.00 H new ATOM 592 N GLY A 35 11.074 10.948 17.858 1.00 0.00 N ATOM 593 CA GLY A 35 10.799 10.153 19.064 1.00 0.00 C ATOM 594 C GLY A 35 9.722 10.744 19.958 1.00 0.00 C ATOM 595 O GLY A 35 9.472 10.227 21.057 1.00 0.00 O ATOM 0 H GLY A 35 10.421 10.779 17.093 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.498 9.149 18.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.720 10.052 19.639 1.00 0.00 H new ATOM 599 N ILE A 36 9.063 11.814 19.480 1.00 0.00 N ATOM 600 CA ILE A 36 8.053 12.552 20.261 1.00 0.00 C ATOM 601 C ILE A 36 6.632 12.029 19.910 1.00 0.00 C ATOM 602 O ILE A 36 6.251 12.045 18.733 1.00 0.00 O ATOM 603 CB ILE A 36 8.159 14.126 20.051 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.371 14.737 20.856 1.00 0.00 C ATOM 605 CG2 ILE A 36 6.843 14.840 20.463 1.00 0.00 C ATOM 606 CD1 ILE A 36 10.765 14.339 20.392 1.00 0.00 C ATOM 0 H ILE A 36 9.214 12.191 18.544 1.00 0.00 H new ATOM 0 HA ILE A 36 8.247 12.371 21.318 1.00 0.00 H new ATOM 0 HB ILE A 36 8.330 14.292 18.987 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.295 15.824 20.814 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.265 14.450 21.902 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.948 15.914 20.308 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.020 14.464 19.856 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.637 14.644 21.515 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.510 14.823 21.023 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.877 13.257 20.462 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.907 14.652 19.358 1.00 0.00 H new ATOM 618 N PRO A 37 5.833 11.570 20.939 1.00 0.00 N ATOM 619 CA PRO A 37 4.505 10.925 20.726 1.00 0.00 C ATOM 620 C PRO A 37 3.456 11.881 20.098 1.00 0.00 C ATOM 621 O PRO A 37 3.573 13.100 20.272 1.00 0.00 O ATOM 622 CB PRO A 37 4.094 10.470 22.164 1.00 0.00 C ATOM 623 CG PRO A 37 4.832 11.397 23.075 1.00 0.00 C ATOM 624 CD PRO A 37 6.156 11.666 22.396 1.00 0.00 C ATOM 0 HA PRO A 37 4.558 10.103 20.012 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.016 10.544 22.311 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.370 9.431 22.346 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.275 12.321 23.228 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.979 10.947 24.057 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.547 12.650 22.656 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.911 10.936 22.688 1.00 0.00 H new ATOM 632 N PRO A 38 2.397 11.322 19.396 1.00 0.00 N ATOM 633 CA PRO A 38 1.334 12.115 18.704 1.00 0.00 C ATOM 634 C PRO A 38 0.582 13.101 19.631 1.00 0.00 C ATOM 635 O PRO A 38 -0.068 14.032 19.148 1.00 0.00 O ATOM 636 CB PRO A 38 0.379 11.028 18.118 1.00 0.00 C ATOM 637 CG PRO A 38 0.687 9.793 18.905 1.00 0.00 C ATOM 638 CD PRO A 38 2.165 9.865 19.196 1.00 0.00 C ATOM 0 HA PRO A 38 1.763 12.768 17.944 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.666 11.318 18.227 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.558 10.875 17.054 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.106 9.759 19.827 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.441 8.894 18.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.430 9.289 20.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.758 9.471 18.371 1.00 0.00 H new ATOM 646 N ASP A 39 0.678 12.877 20.957 1.00 0.00 N ATOM 647 CA ASP A 39 0.099 13.773 21.971 1.00 0.00 C ATOM 648 C ASP A 39 1.004 15.002 22.195 1.00 0.00 C ATOM 649 O ASP A 39 0.525 16.134 22.191 1.00 0.00 O ATOM 650 CB ASP A 39 -0.112 13.009 23.302 1.00 0.00 C ATOM 651 CG ASP A 39 -0.727 13.894 24.406 1.00 0.00 C ATOM 652 OD1 ASP A 39 -1.901 14.295 24.266 1.00 0.00 O ATOM 653 OD2 ASP A 39 -0.025 14.241 25.383 1.00 0.00 O ATOM 0 H ASP A 39 1.160 12.069 21.352 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.868 14.123 21.610 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.762 12.152 23.125 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.845 12.617 23.647 1.00 0.00 H new ATOM 658 N GLN A 40 2.320 14.758 22.357 1.00 0.00 N ATOM 659 CA GLN A 40 3.309 15.812 22.725 1.00 0.00 C ATOM 660 C GLN A 40 3.685 16.666 21.505 1.00 0.00 C ATOM 661 O GLN A 40 4.145 17.791 21.650 1.00 0.00 O ATOM 662 CB GLN A 40 4.580 15.174 23.388 1.00 0.00 C ATOM 663 CG GLN A 40 4.615 15.234 24.932 1.00 0.00 C ATOM 664 CD GLN A 40 3.422 14.614 25.665 1.00 0.00 C ATOM 665 OE1 GLN A 40 2.871 13.545 25.137 1.00 0.00 O flip ATOM 666 NE2 GLN A 40 3.034 15.081 26.731 1.00 0.00 N flip ATOM 0 H GLN A 40 2.733 13.833 22.239 1.00 0.00 H new ATOM 0 HA GLN A 40 2.845 16.472 23.458 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.647 14.131 23.079 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.465 15.679 23.000 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.522 14.735 25.273 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.694 16.279 25.232 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.482 15.913 27.117 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.264 14.638 27.232 1.00 0.00 H new ATOM 675 N GLN A 41 3.515 16.094 20.323 1.00 0.00 N ATOM 676 CA GLN A 41 3.635 16.823 19.063 1.00 0.00 C ATOM 677 C GLN A 41 2.237 17.313 18.666 1.00 0.00 C ATOM 678 O GLN A 41 1.226 16.707 19.054 1.00 0.00 O ATOM 679 CB GLN A 41 4.258 15.906 17.972 1.00 0.00 C ATOM 680 CG GLN A 41 3.380 14.745 17.442 1.00 0.00 C ATOM 681 CD GLN A 41 2.535 15.097 16.196 1.00 0.00 C ATOM 682 OE1 GLN A 41 1.365 15.482 16.282 1.00 0.00 O ATOM 683 NE2 GLN A 41 3.145 15.015 15.028 1.00 0.00 N ATOM 0 H GLN A 41 3.289 15.106 20.207 1.00 0.00 H new ATOM 0 HA GLN A 41 4.297 17.682 19.172 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.540 16.531 17.125 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.177 15.479 18.373 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.025 13.900 17.201 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.711 14.419 18.239 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.112 14.694 14.979 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.649 15.272 14.175 1.00 0.00 H new ATOM 692 N ARG A 42 2.173 18.414 17.916 1.00 0.00 N ATOM 693 CA ARG A 42 0.909 18.932 17.400 1.00 0.00 C ATOM 694 C ARG A 42 1.122 19.436 15.979 1.00 0.00 C ATOM 695 O ARG A 42 1.860 20.389 15.732 1.00 0.00 O ATOM 696 CB ARG A 42 0.387 20.030 18.356 1.00 0.00 C ATOM 697 CG ARG A 42 -1.136 20.237 18.338 1.00 0.00 C ATOM 698 CD ARG A 42 -1.618 20.925 19.621 1.00 0.00 C ATOM 699 NE ARG A 42 -3.083 21.036 19.684 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.776 21.626 20.668 1.00 0.00 C ATOM 701 NH1 ARG A 42 -3.158 22.198 21.702 1.00 0.00 N ATOM 702 NH2 ARG A 42 -5.099 21.646 20.614 1.00 0.00 N ATOM 0 H ARG A 42 2.989 18.966 17.652 1.00 0.00 H new ATOM 0 HA ARG A 42 0.149 18.152 17.356 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.693 19.781 19.372 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.870 20.973 18.100 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.413 20.839 17.473 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.635 19.274 18.229 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.262 20.365 20.486 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.178 21.921 19.683 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.616 20.630 18.915 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.139 22.192 21.754 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.704 22.642 22.441 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.584 21.214 19.827 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.633 22.093 21.359 1.00 0.00 H new ATOM 716 N LEU A 43 0.432 18.786 15.063 1.00 0.00 N ATOM 717 CA LEU A 43 0.720 18.825 13.642 1.00 0.00 C ATOM 718 C LEU A 43 -0.136 19.918 12.999 1.00 0.00 C ATOM 719 O LEU A 43 -1.348 19.911 13.177 1.00 0.00 O ATOM 720 CB LEU A 43 0.403 17.408 13.094 1.00 0.00 C ATOM 721 CG LEU A 43 1.027 17.013 11.729 1.00 0.00 C ATOM 722 CD1 LEU A 43 2.529 17.368 11.661 1.00 0.00 C ATOM 723 CD2 LEU A 43 0.795 15.507 11.471 1.00 0.00 C ATOM 0 H LEU A 43 -0.369 18.198 15.294 1.00 0.00 H new ATOM 0 HA LEU A 43 1.759 19.068 13.419 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.729 16.679 13.836 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.680 17.314 13.009 1.00 0.00 H new ATOM 0 HG LEU A 43 0.534 17.588 10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.928 17.076 10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.656 18.442 11.797 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.064 16.837 12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.233 15.230 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.263 14.925 12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.275 15.302 11.453 1.00 0.00 H new ATOM 735 N ILE A 44 0.508 20.887 12.307 1.00 0.00 N ATOM 736 CA ILE A 44 -0.160 22.128 11.823 1.00 0.00 C ATOM 737 C ILE A 44 0.341 22.505 10.422 1.00 0.00 C ATOM 738 O ILE A 44 1.547 22.494 10.178 1.00 0.00 O ATOM 739 CB ILE A 44 0.118 23.336 12.810 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.487 23.034 14.221 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.411 24.699 12.255 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.147 24.043 15.282 1.00 0.00 C ATOM 0 H ILE A 44 1.498 20.836 12.068 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.231 21.930 11.784 1.00 0.00 H new ATOM 0 HB ILE A 44 1.199 23.437 12.901 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.572 22.974 14.130 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.140 22.054 14.547 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.194 25.492 12.971 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.080 24.921 11.308 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.488 24.635 12.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.610 23.750 16.224 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.935 24.088 15.408 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.519 25.023 14.984 1.00 0.00 H new ATOM 754 N PHE A 45 -0.601 22.872 9.528 1.00 0.00 N ATOM 755 CA PHE A 45 -0.299 23.455 8.209 1.00 0.00 C ATOM 756 C PHE A 45 -1.255 24.632 7.987 1.00 0.00 C ATOM 757 O PHE A 45 -2.441 24.499 8.255 1.00 0.00 O ATOM 758 CB PHE A 45 -0.461 22.391 7.094 1.00 0.00 C ATOM 759 CG PHE A 45 -0.071 22.855 5.681 1.00 0.00 C ATOM 760 CD1 PHE A 45 1.270 22.907 5.295 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.037 23.207 4.734 1.00 0.00 C ATOM 762 CE1 PHE A 45 1.633 23.300 4.021 1.00 0.00 C ATOM 763 CE2 PHE A 45 -0.672 23.594 3.459 1.00 0.00 C ATOM 764 CZ PHE A 45 0.664 23.636 3.100 1.00 0.00 C ATOM 0 H PHE A 45 -1.600 22.770 9.705 1.00 0.00 H new ATOM 0 HA PHE A 45 0.734 23.803 8.175 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.144 21.522 7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.500 22.062 7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.037 22.635 6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.083 23.176 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.677 23.344 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.431 23.865 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.947 23.931 2.100 1.00 0.00 H new ATOM 774 N ALA A 46 -0.712 25.777 7.544 1.00 0.00 N ATOM 775 CA ALA A 46 -1.484 27.010 7.228 1.00 0.00 C ATOM 776 C ALA A 46 -2.126 27.651 8.487 1.00 0.00 C ATOM 777 O ALA A 46 -3.035 28.483 8.369 1.00 0.00 O ATOM 778 CB ALA A 46 -2.546 26.738 6.133 1.00 0.00 C ATOM 0 H ALA A 46 0.291 25.884 7.390 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.770 27.736 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.095 27.656 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.052 26.394 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.240 25.972 6.481 1.00 0.00 H new ATOM 784 N GLY A 47 -1.621 27.277 9.681 1.00 0.00 N ATOM 785 CA GLY A 47 -2.112 27.818 10.955 1.00 0.00 C ATOM 786 C GLY A 47 -3.330 27.071 11.510 1.00 0.00 C ATOM 787 O GLY A 47 -4.032 27.599 12.383 1.00 0.00 O ATOM 0 H GLY A 47 -0.868 26.597 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.308 27.781 11.690 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.371 28.868 10.819 1.00 0.00 H new ATOM 791 N LYS A 48 -3.607 25.859 10.981 1.00 0.00 N ATOM 792 CA LYS A 48 -4.714 24.991 11.456 1.00 0.00 C ATOM 793 C LYS A 48 -4.143 23.615 11.853 1.00 0.00 C ATOM 794 O LYS A 48 -3.190 23.128 11.222 1.00 0.00 O ATOM 795 CB LYS A 48 -5.802 24.850 10.341 1.00 0.00 C ATOM 796 CG LYS A 48 -5.386 23.973 9.136 1.00 0.00 C ATOM 797 CD LYS A 48 -6.271 24.143 7.885 1.00 0.00 C ATOM 798 CE LYS A 48 -6.141 25.520 7.226 1.00 0.00 C ATOM 799 NZ LYS A 48 -6.904 25.577 5.955 1.00 0.00 N ATOM 0 H LYS A 48 -3.072 25.453 10.214 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.188 25.439 12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.704 24.429 10.785 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.060 25.844 9.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.355 24.208 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.406 22.927 9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.009 23.375 7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.312 23.978 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.505 26.289 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.090 25.737 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.799 26.520 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.539 24.858 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.910 25.393 6.145 1.00 0.00 H new ATOM 813 N GLN A 49 -4.711 23.009 12.913 1.00 0.00 N ATOM 814 CA GLN A 49 -4.291 21.679 13.392 1.00 0.00 C ATOM 815 C GLN A 49 -4.830 20.575 12.454 1.00 0.00 C ATOM 816 O GLN A 49 -6.021 20.559 12.110 1.00 0.00 O ATOM 817 CB GLN A 49 -4.750 21.443 14.862 1.00 0.00 C ATOM 818 CG GLN A 49 -4.446 20.024 15.408 1.00 0.00 C ATOM 819 CD GLN A 49 -4.774 19.831 16.897 1.00 0.00 C ATOM 820 OE1 GLN A 49 -5.639 20.500 17.467 1.00 0.00 O ATOM 821 NE2 GLN A 49 -4.086 18.896 17.537 1.00 0.00 N ATOM 0 H GLN A 49 -5.468 23.424 13.457 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.202 21.637 13.378 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.264 22.178 15.504 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.823 21.622 14.928 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.012 19.296 14.827 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.390 19.806 15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.376 18.357 17.042 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.267 18.716 18.525 1.00 0.00 H new ATOM 830 N LEU A 50 -3.934 19.665 12.041 1.00 0.00 N ATOM 831 CA LEU A 50 -4.257 18.593 11.107 1.00 0.00 C ATOM 832 C LEU A 50 -5.002 17.450 11.833 1.00 0.00 C ATOM 833 O LEU A 50 -4.478 16.871 12.802 1.00 0.00 O ATOM 834 CB LEU A 50 -2.970 18.077 10.425 1.00 0.00 C ATOM 835 CG LEU A 50 -2.044 19.164 9.782 1.00 0.00 C ATOM 836 CD1 LEU A 50 -0.911 18.509 8.973 1.00 0.00 C ATOM 837 CD2 LEU A 50 -2.837 20.184 8.930 1.00 0.00 C ATOM 0 H LEU A 50 -2.962 19.659 12.351 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.918 18.984 10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.389 17.525 11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.255 17.367 9.649 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.594 19.729 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.281 19.284 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.310 17.881 9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.338 17.897 8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.150 20.916 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.353 19.662 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.568 20.693 9.559 1.00 0.00 H new ATOM 849 N GLU A 51 -6.220 17.142 11.347 1.00 0.00 N ATOM 850 CA GLU A 51 -7.087 16.116 11.923 1.00 0.00 C ATOM 851 C GLU A 51 -6.585 14.739 11.484 1.00 0.00 C ATOM 852 O GLU A 51 -6.324 14.533 10.297 1.00 0.00 O ATOM 853 CB GLU A 51 -8.548 16.336 11.440 1.00 0.00 C ATOM 854 CG GLU A 51 -9.554 15.255 11.896 1.00 0.00 C ATOM 855 CD GLU A 51 -10.963 15.466 11.310 1.00 0.00 C ATOM 856 OE1 GLU A 51 -11.690 16.366 11.787 1.00 0.00 O ATOM 857 OE2 GLU A 51 -11.351 14.731 10.378 1.00 0.00 O ATOM 0 H GLU A 51 -6.626 17.607 10.535 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.067 16.178 13.011 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.892 17.306 11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.553 16.379 10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.185 14.273 11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.614 15.257 12.984 1.00 0.00 H new ATOM 864 N ASP A 52 -6.547 13.798 12.435 1.00 0.00 N ATOM 865 CA ASP A 52 -5.963 12.461 12.236 1.00 0.00 C ATOM 866 C ASP A 52 -6.687 11.658 11.137 1.00 0.00 C ATOM 867 O ASP A 52 -6.045 10.932 10.369 1.00 0.00 O ATOM 868 CB ASP A 52 -5.974 11.689 13.573 1.00 0.00 C ATOM 869 CG ASP A 52 -7.388 11.532 14.168 1.00 0.00 C ATOM 870 OD1 ASP A 52 -7.845 12.454 14.875 1.00 0.00 O ATOM 871 OD2 ASP A 52 -8.064 10.516 13.905 1.00 0.00 O ATOM 0 H ASP A 52 -6.923 13.942 13.372 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.936 12.594 11.897 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.539 10.701 13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.340 12.208 14.291 1.00 0.00 H new ATOM 876 N GLY A 53 -8.023 11.824 11.076 1.00 0.00 N ATOM 877 CA GLY A 53 -8.872 11.107 10.127 1.00 0.00 C ATOM 878 C GLY A 53 -8.714 11.596 8.694 1.00 0.00 C ATOM 879 O GLY A 53 -8.924 10.827 7.749 1.00 0.00 O ATOM 0 H GLY A 53 -8.536 12.460 11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.636 10.044 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.914 11.215 10.428 1.00 0.00 H new ATOM 883 N ARG A 54 -8.340 12.884 8.536 1.00 0.00 N ATOM 884 CA ARG A 54 -8.075 13.492 7.215 1.00 0.00 C ATOM 885 C ARG A 54 -6.711 13.046 6.653 1.00 0.00 C ATOM 886 O ARG A 54 -5.958 12.313 7.303 1.00 0.00 O ATOM 887 CB ARG A 54 -8.154 15.043 7.312 1.00 0.00 C ATOM 888 CG ARG A 54 -9.566 15.572 7.655 1.00 0.00 C ATOM 889 CD ARG A 54 -9.653 17.105 7.668 1.00 0.00 C ATOM 890 NE ARG A 54 -11.022 17.590 7.946 1.00 0.00 N ATOM 891 CZ ARG A 54 -11.364 18.529 8.851 1.00 0.00 C ATOM 892 NH1 ARG A 54 -10.472 19.036 9.680 1.00 0.00 N ATOM 893 NH2 ARG A 54 -12.604 18.949 8.931 1.00 0.00 N ATOM 0 H ARG A 54 -8.214 13.528 9.317 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.842 13.145 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.452 15.387 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.834 15.475 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.279 15.181 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.862 15.190 8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.971 17.498 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.322 17.493 6.705 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.779 17.175 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.503 18.718 9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.751 19.746 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.314 18.565 8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.859 19.660 9.617 1.00 0.00 H new ATOM 907 N THR A 55 -6.416 13.497 5.427 1.00 0.00 N ATOM 908 CA THR A 55 -5.147 13.204 4.735 1.00 0.00 C ATOM 909 C THR A 55 -4.356 14.495 4.542 1.00 0.00 C ATOM 910 O THR A 55 -4.891 15.597 4.755 1.00 0.00 O ATOM 911 CB THR A 55 -5.387 12.534 3.337 1.00 0.00 C ATOM 912 OG1 THR A 55 -6.256 13.360 2.540 1.00 0.00 O ATOM 913 CG2 THR A 55 -5.975 11.120 3.466 1.00 0.00 C ATOM 0 H THR A 55 -7.052 14.079 4.882 1.00 0.00 H new ATOM 0 HA THR A 55 -4.586 12.505 5.356 1.00 0.00 H new ATOM 0 HB THR A 55 -4.418 12.440 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.400 12.937 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.124 10.696 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.287 10.490 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.931 11.170 3.987 1.00 0.00 H new ATOM 921 N LEU A 56 -3.081 14.344 4.138 1.00 0.00 N ATOM 922 CA LEU A 56 -2.225 15.477 3.757 1.00 0.00 C ATOM 923 C LEU A 56 -2.913 16.291 2.641 1.00 0.00 C ATOM 924 O LEU A 56 -3.134 17.494 2.787 1.00 0.00 O ATOM 925 CB LEU A 56 -0.826 14.988 3.284 1.00 0.00 C ATOM 926 CG LEU A 56 0.115 14.372 4.372 1.00 0.00 C ATOM 927 CD1 LEU A 56 1.425 13.847 3.734 1.00 0.00 C ATOM 928 CD2 LEU A 56 0.425 15.395 5.501 1.00 0.00 C ATOM 0 H LEU A 56 -2.619 13.437 4.068 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.078 16.111 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.974 14.243 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.309 15.831 2.827 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.410 13.529 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.063 13.423 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.189 13.078 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.946 14.670 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.081 14.934 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.917 16.270 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.505 15.700 5.981 1.00 0.00 H new ATOM 940 N SER A 57 -3.320 15.574 1.577 1.00 0.00 N ATOM 941 CA SER A 57 -3.954 16.147 0.377 1.00 0.00 C ATOM 942 C SER A 57 -5.257 16.903 0.721 1.00 0.00 C ATOM 943 O SER A 57 -5.619 17.855 0.020 1.00 0.00 O ATOM 944 CB SER A 57 -4.238 15.023 -0.648 1.00 0.00 C ATOM 945 OG SER A 57 -4.786 15.534 -1.852 1.00 0.00 O ATOM 0 H SER A 57 -3.215 14.561 1.527 1.00 0.00 H new ATOM 0 HA SER A 57 -3.264 16.871 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.313 14.489 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.928 14.300 -0.213 1.00 0.00 H new ATOM 0 HG SER A 57 -4.951 14.796 -2.476 1.00 0.00 H new ATOM 951 N ASP A 58 -5.932 16.493 1.824 1.00 0.00 N ATOM 952 CA ASP A 58 -7.190 17.127 2.283 1.00 0.00 C ATOM 953 C ASP A 58 -6.912 18.565 2.761 1.00 0.00 C ATOM 954 O ASP A 58 -7.678 19.494 2.473 1.00 0.00 O ATOM 955 CB ASP A 58 -7.819 16.290 3.430 1.00 0.00 C ATOM 956 CG ASP A 58 -9.267 16.691 3.771 1.00 0.00 C ATOM 957 OD1 ASP A 58 -9.475 17.729 4.436 1.00 0.00 O ATOM 958 OD2 ASP A 58 -10.208 15.970 3.373 1.00 0.00 O ATOM 0 H ASP A 58 -5.622 15.721 2.414 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.893 17.165 1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.800 15.236 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.203 16.394 4.323 1.00 0.00 H new ATOM 963 N TYR A 59 -5.774 18.729 3.463 1.00 0.00 N ATOM 964 CA TYR A 59 -5.309 20.024 3.981 1.00 0.00 C ATOM 965 C TYR A 59 -4.401 20.747 2.960 1.00 0.00 C ATOM 966 O TYR A 59 -3.609 21.610 3.351 1.00 0.00 O ATOM 967 CB TYR A 59 -4.546 19.803 5.315 1.00 0.00 C ATOM 968 CG TYR A 59 -5.437 19.605 6.529 1.00 0.00 C ATOM 969 CD1 TYR A 59 -6.085 20.697 7.097 1.00 0.00 C ATOM 970 CD2 TYR A 59 -5.601 18.362 7.137 1.00 0.00 C ATOM 971 CE1 TYR A 59 -6.860 20.565 8.219 1.00 0.00 C ATOM 972 CE2 TYR A 59 -6.385 18.228 8.254 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.010 19.337 8.793 1.00 0.00 C ATOM 974 OH TYR A 59 -7.763 19.223 9.936 1.00 0.00 O ATOM 0 H TYR A 59 -5.147 17.956 3.687 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.179 20.657 4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.900 18.931 5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.897 20.660 5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.975 21.671 6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.106 17.496 6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.349 21.428 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.514 17.258 8.712 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.287 19.640 10.684 1.00 0.00 H new ATOM 984 N ASN A 60 -4.515 20.374 1.661 1.00 0.00 N ATOM 985 CA ASN A 60 -3.775 21.007 0.535 1.00 0.00 C ATOM 986 C ASN A 60 -2.251 20.734 0.619 1.00 0.00 C ATOM 987 O ASN A 60 -1.462 21.380 -0.069 1.00 0.00 O ATOM 988 CB ASN A 60 -4.053 22.546 0.461 1.00 0.00 C ATOM 989 CG ASN A 60 -5.539 22.907 0.314 1.00 0.00 C ATOM 990 OD1 ASN A 60 -6.047 23.072 -0.794 1.00 0.00 O ATOM 991 ND2 ASN A 60 -6.249 23.010 1.436 1.00 0.00 N ATOM 0 H ASN A 60 -5.129 19.617 1.360 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.145 20.548 -0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.662 23.019 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.503 22.964 -0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.244 23.232 1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.798 22.867 2.340 1.00 0.00 H new ATOM 998 N ILE A 61 -1.859 19.753 1.446 1.00 0.00 N ATOM 999 CA ILE A 61 -0.452 19.347 1.628 1.00 0.00 C ATOM 1000 C ILE A 61 -0.110 18.279 0.576 1.00 0.00 C ATOM 1001 O ILE A 61 -0.876 17.333 0.370 1.00 0.00 O ATOM 1002 CB ILE A 61 -0.208 18.735 3.060 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -0.830 19.635 4.165 1.00 0.00 C ATOM 1004 CG2 ILE A 61 1.301 18.474 3.340 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.057 18.932 5.489 1.00 0.00 C ATOM 0 H ILE A 61 -2.513 19.213 2.013 1.00 0.00 H new ATOM 0 HA ILE A 61 0.178 20.230 1.518 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.710 17.768 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.177 20.492 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.783 20.025 3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.418 18.052 4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.692 17.774 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.851 19.413 3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.493 19.631 6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.736 18.092 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.105 18.566 5.875 1.00 0.00 H new ATOM 1017 N GLN A 62 1.038 18.436 -0.062 1.00 0.00 N ATOM 1018 CA GLN A 62 1.566 17.467 -1.022 1.00 0.00 C ATOM 1019 C GLN A 62 2.957 17.012 -0.568 1.00 0.00 C ATOM 1020 O GLN A 62 3.416 17.361 0.534 1.00 0.00 O ATOM 1021 CB GLN A 62 1.633 18.104 -2.439 1.00 0.00 C ATOM 1022 CG GLN A 62 2.552 19.343 -2.544 1.00 0.00 C ATOM 1023 CD GLN A 62 2.887 19.731 -3.980 1.00 0.00 C ATOM 1024 OE1 GLN A 62 2.169 20.503 -4.616 1.00 0.00 O ATOM 1025 NE2 GLN A 62 3.990 19.198 -4.491 1.00 0.00 N ATOM 0 H GLN A 62 1.641 19.248 0.070 1.00 0.00 H new ATOM 0 HA GLN A 62 0.907 16.600 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.979 17.350 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.626 18.388 -2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.069 20.187 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.478 19.146 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.557 18.563 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.271 19.424 -5.445 1.00 0.00 H new ATOM 1034 N LYS A 63 3.615 16.226 -1.421 1.00 0.00 N ATOM 1035 CA LYS A 63 5.020 15.864 -1.249 1.00 0.00 C ATOM 1036 C LYS A 63 5.911 17.119 -1.217 1.00 0.00 C ATOM 1037 O LYS A 63 5.648 18.115 -1.914 1.00 0.00 O ATOM 1038 CB LYS A 63 5.488 14.923 -2.375 1.00 0.00 C ATOM 1039 CG LYS A 63 5.286 15.464 -3.800 1.00 0.00 C ATOM 1040 CD LYS A 63 5.706 14.415 -4.843 1.00 0.00 C ATOM 1041 CE LYS A 63 7.195 14.055 -4.719 1.00 0.00 C ATOM 1042 NZ LYS A 63 8.066 15.091 -5.333 1.00 0.00 N ATOM 0 H LYS A 63 3.186 15.822 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 63 5.111 15.343 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.547 14.707 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.954 13.977 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.240 15.733 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.871 16.374 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.103 13.516 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.506 14.797 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.455 13.939 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.378 13.094 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.957 14.655 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.581 15.512 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.271 15.832 -4.633 1.00 0.00 H new ATOM 1056 N GLU A 64 6.948 17.031 -0.376 1.00 0.00 N ATOM 1057 CA GLU A 64 7.955 18.084 -0.140 1.00 0.00 C ATOM 1058 C GLU A 64 7.359 19.354 0.510 1.00 0.00 C ATOM 1059 O GLU A 64 8.073 20.355 0.659 1.00 0.00 O ATOM 1060 CB GLU A 64 8.729 18.411 -1.451 1.00 0.00 C ATOM 1061 CG GLU A 64 9.425 17.196 -2.111 1.00 0.00 C ATOM 1062 CD GLU A 64 10.025 17.538 -3.486 1.00 0.00 C ATOM 1063 OE1 GLU A 64 9.273 17.545 -4.485 1.00 0.00 O ATOM 1064 OE2 GLU A 64 11.236 17.829 -3.571 1.00 0.00 O ATOM 0 H GLU A 64 7.119 16.195 0.182 1.00 0.00 H new ATOM 0 HA GLU A 64 8.666 17.688 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.034 18.848 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.481 19.169 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.215 16.832 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.705 16.385 -2.223 1.00 0.00 H new ATOM 1071 N SER A 65 6.068 19.313 0.928 1.00 0.00 N ATOM 1072 CA SER A 65 5.461 20.428 1.661 1.00 0.00 C ATOM 1073 C SER A 65 6.023 20.483 3.086 1.00 0.00 C ATOM 1074 O SER A 65 6.078 19.457 3.783 1.00 0.00 O ATOM 1075 CB SER A 65 3.925 20.311 1.708 1.00 0.00 C ATOM 1076 OG SER A 65 3.360 20.336 0.412 1.00 0.00 O ATOM 0 H SER A 65 5.442 18.524 0.767 1.00 0.00 H new ATOM 0 HA SER A 65 5.709 21.348 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.646 19.384 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.515 21.130 2.300 1.00 0.00 H new ATOM 0 HG SER A 65 2.633 20.993 0.385 1.00 0.00 H new ATOM 1082 N THR A 66 6.473 21.676 3.493 1.00 0.00 N ATOM 1083 CA THR A 66 6.968 21.914 4.852 1.00 0.00 C ATOM 1084 C THR A 66 5.868 22.576 5.685 1.00 0.00 C ATOM 1085 O THR A 66 5.127 23.417 5.183 1.00 0.00 O ATOM 1086 CB THR A 66 8.267 22.778 4.857 1.00 0.00 C ATOM 1087 OG1 THR A 66 9.206 22.225 3.924 1.00 0.00 O ATOM 1088 CG2 THR A 66 8.930 22.832 6.256 1.00 0.00 C ATOM 0 H THR A 66 6.504 22.499 2.892 1.00 0.00 H new ATOM 0 HA THR A 66 7.229 20.953 5.295 1.00 0.00 H new ATOM 0 HB THR A 66 7.986 23.793 4.577 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.023 22.766 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.830 23.445 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.233 23.266 6.973 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.194 21.823 6.573 1.00 0.00 H new ATOM 1096 N LEU A 67 5.766 22.167 6.947 1.00 0.00 N ATOM 1097 CA LEU A 67 4.718 22.608 7.871 1.00 0.00 C ATOM 1098 C LEU A 67 5.307 22.745 9.278 1.00 0.00 C ATOM 1099 O LEU A 67 6.469 22.422 9.500 1.00 0.00 O ATOM 1100 CB LEU A 67 3.509 21.624 7.849 1.00 0.00 C ATOM 1101 CG LEU A 67 3.794 20.101 8.120 1.00 0.00 C ATOM 1102 CD1 LEU A 67 2.524 19.384 8.619 1.00 0.00 C ATOM 1103 CD2 LEU A 67 4.344 19.375 6.863 1.00 0.00 C ATOM 0 H LEU A 67 6.421 21.507 7.367 1.00 0.00 H new ATOM 0 HA LEU A 67 4.343 23.581 7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.786 21.966 8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.029 21.706 6.874 1.00 0.00 H new ATOM 0 HG LEU A 67 4.560 20.059 8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.747 18.332 8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.185 19.847 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.741 19.465 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.526 18.326 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.616 19.444 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.277 19.844 6.551 1.00 0.00 H new ATOM 1115 N HIS A 68 4.501 23.264 10.216 1.00 0.00 N ATOM 1116 CA HIS A 68 4.930 23.491 11.614 1.00 0.00 C ATOM 1117 C HIS A 68 4.487 22.342 12.536 1.00 0.00 C ATOM 1118 O HIS A 68 3.502 21.637 12.271 1.00 0.00 O ATOM 1119 CB HIS A 68 4.404 24.859 12.146 1.00 0.00 C ATOM 1120 CG HIS A 68 5.204 26.043 11.657 1.00 0.00 C ATOM 1121 ND1 HIS A 68 4.776 26.900 10.669 1.00 0.00 N ATOM 1122 CD2 HIS A 68 6.412 26.521 12.058 1.00 0.00 C ATOM 1123 CE1 HIS A 68 5.684 27.835 10.473 1.00 0.00 C ATOM 1124 NE2 HIS A 68 6.683 27.632 11.303 1.00 0.00 N ATOM 0 H HIS A 68 3.536 23.539 10.033 1.00 0.00 H new ATOM 0 HA HIS A 68 6.020 23.518 11.619 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.364 24.983 11.842 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.418 24.846 13.236 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.042 26.102 12.829 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.618 28.635 9.751 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.522 28.207 11.373 1.00 0.00 H new ATOM 1133 N LEU A 69 5.248 22.187 13.631 1.00 0.00 N ATOM 1134 CA LEU A 69 5.044 21.155 14.643 1.00 0.00 C ATOM 1135 C LEU A 69 5.229 21.810 16.010 1.00 0.00 C ATOM 1136 O LEU A 69 6.307 22.333 16.314 1.00 0.00 O ATOM 1137 CB LEU A 69 6.072 20.002 14.428 1.00 0.00 C ATOM 1138 CG LEU A 69 5.825 18.630 15.161 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.057 18.705 16.684 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.421 18.079 14.834 1.00 0.00 C ATOM 0 H LEU A 69 6.041 22.795 13.836 1.00 0.00 H new ATOM 0 HA LEU A 69 4.045 20.724 14.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.126 19.801 13.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.052 20.370 14.734 1.00 0.00 H new ATOM 0 HG LEU A 69 6.571 17.934 14.777 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.870 17.728 17.129 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.087 19.003 16.881 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.378 19.438 17.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.273 17.131 15.351 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.665 18.793 15.161 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.333 17.924 13.759 1.00 0.00 H new ATOM 1152 N VAL A 70 4.169 21.773 16.820 1.00 0.00 N ATOM 1153 CA VAL A 70 4.173 22.304 18.180 1.00 0.00 C ATOM 1154 C VAL A 70 4.519 21.201 19.181 1.00 0.00 C ATOM 1155 O VAL A 70 3.744 20.255 19.387 1.00 0.00 O ATOM 1156 CB VAL A 70 2.796 22.982 18.533 1.00 0.00 C ATOM 1157 CG1 VAL A 70 2.676 23.349 20.041 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.582 24.227 17.639 1.00 0.00 C ATOM 0 H VAL A 70 3.274 21.368 16.544 1.00 0.00 H new ATOM 0 HA VAL A 70 4.940 23.076 18.242 1.00 0.00 H new ATOM 0 HB VAL A 70 2.009 22.254 18.334 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.707 23.813 20.227 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.767 22.445 20.644 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.470 24.046 20.310 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.628 24.693 17.886 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.389 24.940 17.809 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.578 23.926 16.591 1.00 0.00 H new ATOM 1168 N LEU A 71 5.712 21.331 19.756 1.00 0.00 N ATOM 1169 CA LEU A 71 6.172 20.501 20.859 1.00 0.00 C ATOM 1170 C LEU A 71 5.533 20.984 22.176 1.00 0.00 C ATOM 1171 O LEU A 71 5.419 22.191 22.419 1.00 0.00 O ATOM 1172 CB LEU A 71 7.715 20.543 20.937 1.00 0.00 C ATOM 1173 CG LEU A 71 8.472 19.859 19.751 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.002 20.001 19.905 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.069 18.363 19.621 1.00 0.00 C ATOM 0 H LEU A 71 6.395 22.029 19.461 1.00 0.00 H new ATOM 0 HA LEU A 71 5.868 19.467 20.692 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.030 21.585 20.992 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.027 20.066 21.866 1.00 0.00 H new ATOM 0 HG LEU A 71 8.179 20.371 18.835 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.499 19.515 19.065 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.269 21.058 19.923 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.319 19.530 20.836 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.610 17.912 18.789 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.318 17.838 20.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.997 18.289 19.439 1.00 0.00 H new ATOM 1187 N ARG A 72 5.103 20.015 22.995 1.00 0.00 N ATOM 1188 CA ARG A 72 4.407 20.258 24.274 1.00 0.00 C ATOM 1189 C ARG A 72 5.267 19.745 25.434 1.00 0.00 C ATOM 1190 O ARG A 72 5.445 20.445 26.429 1.00 0.00 O ATOM 1191 CB ARG A 72 3.030 19.532 24.267 1.00 0.00 C ATOM 1192 CG ARG A 72 2.053 19.995 23.159 1.00 0.00 C ATOM 1193 CD ARG A 72 0.751 19.171 23.150 1.00 0.00 C ATOM 1194 NE ARG A 72 -0.014 19.317 24.410 1.00 0.00 N ATOM 1195 CZ ARG A 72 -0.647 18.329 25.068 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -0.594 17.080 24.642 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -1.327 18.597 26.165 1.00 0.00 N ATOM 0 H ARG A 72 5.229 19.024 22.788 1.00 0.00 H new ATOM 0 HA ARG A 72 4.243 21.328 24.400 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.201 18.461 24.156 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.553 19.680 25.236 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.813 21.048 23.305 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.541 19.911 22.188 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.130 19.486 22.312 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.990 18.119 22.992 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.066 20.251 24.816 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.066 16.850 23.800 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.081 16.345 25.155 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.373 19.554 26.515 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.807 17.848 26.664 1.00 0.00 H new ATOM 1211 N LEU A 73 5.753 18.489 25.278 1.00 0.00 N ATOM 1212 CA LEU A 73 6.616 17.775 26.259 1.00 0.00 C ATOM 1213 C LEU A 73 6.049 17.847 27.698 1.00 0.00 C ATOM 1214 O LEU A 73 6.783 18.076 28.674 1.00 0.00 O ATOM 1215 CB LEU A 73 8.102 18.259 26.172 1.00 0.00 C ATOM 1216 CG LEU A 73 8.943 17.761 24.939 1.00 0.00 C ATOM 1217 CD1 LEU A 73 9.016 16.216 24.879 1.00 0.00 C ATOM 1218 CD2 LEU A 73 8.424 18.341 23.613 1.00 0.00 C ATOM 0 H LEU A 73 5.553 17.929 24.449 1.00 0.00 H new ATOM 0 HA LEU A 73 6.611 16.719 25.987 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.104 19.349 26.166 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.615 17.945 27.081 1.00 0.00 H new ATOM 0 HG LEU A 73 9.957 18.135 25.083 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.605 15.913 24.014 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.485 15.838 25.788 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.009 15.807 24.794 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.035 17.970 22.790 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.388 18.036 23.463 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.480 19.429 23.645 1.00 0.00 H new ATOM 1358 N LYS B 201 11.506 28.286 25.052 1.00 0.00 N ATOM 1359 CA LYS B 201 10.840 29.468 24.444 1.00 0.00 C ATOM 1360 C LYS B 201 10.778 29.259 22.927 1.00 0.00 C ATOM 1361 O LYS B 201 11.790 28.977 22.286 1.00 0.00 O ATOM 1362 CB LYS B 201 11.543 30.809 24.822 1.00 0.00 C ATOM 1363 CG LYS B 201 11.230 31.327 26.256 1.00 0.00 C ATOM 1364 CD LYS B 201 11.729 30.387 27.371 1.00 0.00 C ATOM 1365 CE LYS B 201 11.311 30.839 28.775 1.00 0.00 C ATOM 1366 NZ LYS B 201 11.817 29.907 29.813 1.00 0.00 N ATOM 0 HA LYS B 201 9.829 29.553 24.843 1.00 0.00 H new ATOM 0 HB2 LYS B 201 12.621 30.678 24.725 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.249 31.573 24.102 1.00 0.00 H new ATOM 0 HG2 LYS B 201 11.687 32.308 26.387 1.00 0.00 H new ATOM 0 HG3 LYS B 201 10.153 31.460 26.359 1.00 0.00 H new ATOM 0 HD2 LYS B 201 11.344 29.383 27.190 1.00 0.00 H new ATOM 0 HD3 LYS B 201 12.816 30.325 27.325 1.00 0.00 H new ATOM 0 HE2 LYS B 201 11.693 31.842 28.966 1.00 0.00 H new ATOM 0 HE3 LYS B 201 10.224 30.896 28.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 11.519 30.239 30.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 11.432 28.956 29.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 12.856 29.872 29.772 1.00 0.00 H new ATOM 1380 N VAL B 202 9.567 29.396 22.384 1.00 0.00 N ATOM 1381 CA VAL B 202 9.175 28.908 21.045 1.00 0.00 C ATOM 1382 C VAL B 202 8.163 29.892 20.420 1.00 0.00 C ATOM 1383 O VAL B 202 7.879 30.928 21.015 1.00 0.00 O ATOM 1384 CB VAL B 202 8.552 27.461 21.175 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.638 26.384 21.443 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.479 27.426 22.286 1.00 0.00 C ATOM 0 H VAL B 202 8.803 29.863 22.873 1.00 0.00 H new ATOM 0 HA VAL B 202 10.048 28.850 20.396 1.00 0.00 H new ATOM 0 HB VAL B 202 8.081 27.226 20.220 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.167 25.405 21.526 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.352 26.375 20.620 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.159 26.616 22.372 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.063 26.421 22.359 1.00 0.00 H new ATOM 0 HG22 VAL B 202 7.932 27.701 23.238 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.683 28.131 22.046 1.00 0.00 H new ATOM 1396 N ASP B 203 7.649 29.584 19.208 1.00 0.00 N ATOM 1397 CA ASP B 203 6.692 30.483 18.489 1.00 0.00 C ATOM 1398 C ASP B 203 5.309 29.825 18.331 1.00 0.00 C ATOM 1399 O ASP B 203 5.214 28.644 18.003 1.00 0.00 O ATOM 1400 CB ASP B 203 7.232 30.887 17.088 1.00 0.00 C ATOM 1401 CG ASP B 203 6.356 31.944 16.386 1.00 0.00 C ATOM 1402 OD1 ASP B 203 6.464 33.134 16.738 1.00 0.00 O ATOM 1403 OD2 ASP B 203 5.549 31.587 15.491 1.00 0.00 O ATOM 0 H ASP B 203 7.873 28.727 18.702 1.00 0.00 H new ATOM 0 HA ASP B 203 6.589 31.380 19.100 1.00 0.00 H new ATOM 0 HB2 ASP B 203 8.245 31.275 17.193 1.00 0.00 H new ATOM 0 HB3 ASP B 203 7.294 29.999 16.459 1.00 0.00 H new ATOM 1408 N CYS B 204 4.248 30.622 18.567 1.00 0.00 N ATOM 1409 CA CYS B 204 2.844 30.223 18.340 1.00 0.00 C ATOM 1410 C CYS B 204 2.540 30.362 16.842 1.00 0.00 C ATOM 1411 O CYS B 204 2.294 31.465 16.393 1.00 0.00 O ATOM 1412 CB CYS B 204 1.915 31.118 19.204 1.00 0.00 C ATOM 1413 SG CYS B 204 0.138 30.696 19.207 1.00 0.00 S ATOM 0 H CYS B 204 4.343 31.572 18.925 1.00 0.00 H new ATOM 0 HA CYS B 204 2.674 29.187 18.634 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.274 31.087 20.233 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.019 32.147 18.861 1.00 0.00 H new ATOM 0 HG CYS B 204 -0.515 31.572 19.911 1.00 0.00 H new ATOM 1418 N PRO B 205 2.527 29.239 16.046 1.00 0.00 N ATOM 1419 CA PRO B 205 2.691 29.297 14.561 1.00 0.00 C ATOM 1420 C PRO B 205 1.484 29.892 13.804 1.00 0.00 C ATOM 1421 O PRO B 205 1.513 29.987 12.570 1.00 0.00 O ATOM 1422 CB PRO B 205 2.917 27.809 14.188 1.00 0.00 C ATOM 1423 CG PRO B 205 2.133 27.058 15.218 1.00 0.00 C ATOM 1424 CD PRO B 205 2.306 27.839 16.509 1.00 0.00 C ATOM 0 HA PRO B 205 3.503 29.965 14.275 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.564 27.592 13.180 1.00 0.00 H new ATOM 0 HB3 PRO B 205 3.974 27.545 14.219 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.082 26.990 14.938 1.00 0.00 H new ATOM 0 HG3 PRO B 205 2.501 26.038 15.324 1.00 0.00 H new ATOM 0 HD2 PRO B 205 1.424 27.762 17.145 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.152 27.471 17.090 1.00 0.00 H new ATOM 1432 N VAL B 206 0.426 30.266 14.543 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.785 30.867 13.960 1.00 0.00 C ATOM 1434 C VAL B 206 -0.669 32.407 14.006 1.00 0.00 C ATOM 1435 O VAL B 206 -0.623 33.063 12.966 1.00 0.00 O ATOM 1436 CB VAL B 206 -2.086 30.393 14.715 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.368 30.881 13.992 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -2.093 28.853 14.893 1.00 0.00 C ATOM 0 H VAL B 206 0.386 30.161 15.557 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.868 30.537 12.924 1.00 0.00 H new ATOM 0 HB VAL B 206 -2.078 30.845 15.707 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.247 30.537 14.538 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.370 31.970 13.950 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.390 30.479 12.979 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -3.000 28.551 15.416 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.062 28.374 13.915 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.222 28.550 15.473 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.594 32.972 15.228 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.517 34.446 15.431 1.00 0.00 C ATOM 1450 C CYS B 207 0.948 34.942 15.438 1.00 0.00 C ATOM 1451 O CYS B 207 1.198 36.152 15.406 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.230 34.848 16.740 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.360 34.339 18.259 1.00 0.00 S ATOM 0 H CYS B 207 -0.585 32.435 16.095 1.00 0.00 H new ATOM 0 HA CYS B 207 -1.024 34.924 14.593 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.355 35.931 16.753 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.229 34.411 16.744 1.00 0.00 H new ATOM 0 HG CYS B 207 -0.356 33.042 18.343 1.00 0.00 H new ATOM 1458 N GLY B 208 1.894 33.983 15.487 1.00 0.00 N ATOM 1459 CA GLY B 208 3.341 34.241 15.421 1.00 0.00 C ATOM 1460 C GLY B 208 3.872 35.106 16.553 1.00 0.00 C ATOM 1461 O GLY B 208 4.450 36.169 16.306 1.00 0.00 O ATOM 0 H GLY B 208 1.667 32.992 15.575 1.00 0.00 H new ATOM 0 HA2 GLY B 208 3.869 33.288 15.429 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.570 34.725 14.471 1.00 0.00 H new ATOM 1465 N VAL B 209 3.662 34.652 17.799 1.00 0.00 N ATOM 1466 CA VAL B 209 4.182 35.328 19.013 1.00 0.00 C ATOM 1467 C VAL B 209 5.153 34.380 19.747 1.00 0.00 C ATOM 1468 O VAL B 209 4.871 33.177 19.881 1.00 0.00 O ATOM 1469 CB VAL B 209 3.015 35.800 19.977 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.066 36.790 19.253 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.217 34.605 20.564 1.00 0.00 C ATOM 0 H VAL B 209 3.128 33.807 18.000 1.00 0.00 H new ATOM 0 HA VAL B 209 4.714 36.228 18.704 1.00 0.00 H new ATOM 0 HB VAL B 209 3.484 36.316 20.815 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.274 37.099 19.935 1.00 0.00 H new ATOM 0 HG12 VAL B 209 2.630 37.665 18.931 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.626 36.302 18.383 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.429 34.980 21.218 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.772 34.030 19.752 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.889 33.965 21.136 1.00 0.00 H new ATOM 1481 N ASN B 210 6.306 34.914 20.191 1.00 0.00 N ATOM 1482 CA ASN B 210 7.334 34.117 20.882 1.00 0.00 C ATOM 1483 C ASN B 210 6.976 34.008 22.377 1.00 0.00 C ATOM 1484 O ASN B 210 6.974 35.007 23.102 1.00 0.00 O ATOM 1485 CB ASN B 210 8.747 34.729 20.688 1.00 0.00 C ATOM 1486 CG ASN B 210 9.864 33.802 21.196 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.308 33.894 22.342 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.297 32.880 20.356 1.00 0.00 N ATOM 0 H ASN B 210 6.549 35.899 20.082 1.00 0.00 H new ATOM 0 HA ASN B 210 7.357 33.118 20.448 1.00 0.00 H new ATOM 0 HB2 ASN B 210 8.906 34.939 19.630 1.00 0.00 H new ATOM 0 HB3 ASN B 210 8.802 35.682 21.214 1.00 0.00 H new ATOM 0 HD21 ASN B 210 11.017 32.220 20.650 1.00 0.00 H new ATOM 0 HD22 ASN B 210 9.911 32.827 19.413 1.00 0.00 H new ATOM 1495 N ILE B 211 6.651 32.782 22.803 1.00 0.00 N ATOM 1496 CA ILE B 211 6.176 32.460 24.167 1.00 0.00 C ATOM 1497 C ILE B 211 6.756 31.098 24.631 1.00 0.00 C ATOM 1498 O ILE B 211 7.124 30.280 23.786 1.00 0.00 O ATOM 1499 CB ILE B 211 4.593 32.405 24.194 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.064 31.510 23.020 1.00 0.00 C ATOM 1501 CG2 ILE B 211 3.974 33.828 24.151 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.561 31.471 22.879 1.00 0.00 C ATOM 0 H ILE B 211 6.710 31.962 22.200 1.00 0.00 H new ATOM 0 HA ILE B 211 6.518 33.240 24.847 1.00 0.00 H new ATOM 0 HB ILE B 211 4.281 31.953 25.136 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.493 31.871 22.085 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.427 30.493 23.166 1.00 0.00 H new ATOM 0 HG21 ILE B 211 2.887 33.753 24.171 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.314 34.399 25.015 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.286 34.333 23.237 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.291 30.828 22.042 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.120 31.079 23.795 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.186 32.478 22.698 1.00 0.00 H new ATOM 1514 N PRO B 212 6.866 30.841 25.982 1.00 0.00 N ATOM 1515 CA PRO B 212 7.326 29.528 26.524 1.00 0.00 C ATOM 1516 C PRO B 212 6.419 28.337 26.097 1.00 0.00 C ATOM 1517 O PRO B 212 5.280 28.534 25.689 1.00 0.00 O ATOM 1518 CB PRO B 212 7.326 29.746 28.063 1.00 0.00 C ATOM 1519 CG PRO B 212 6.430 30.925 28.291 1.00 0.00 C ATOM 1520 CD PRO B 212 6.604 31.811 27.080 1.00 0.00 C ATOM 0 HA PRO B 212 8.305 29.248 26.136 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.957 28.864 28.586 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.333 29.939 28.434 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.392 30.612 28.401 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.703 31.453 29.205 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.712 32.407 26.886 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.432 32.508 27.207 1.00 0.00 H new ATOM 1528 N GLU B 213 6.954 27.110 26.249 1.00 0.00 N ATOM 1529 CA GLU B 213 6.412 25.860 25.655 1.00 0.00 C ATOM 1530 C GLU B 213 5.015 25.468 26.223 1.00 0.00 C ATOM 1531 O GLU B 213 4.136 24.971 25.490 1.00 0.00 O ATOM 1532 CB GLU B 213 7.471 24.735 25.859 1.00 0.00 C ATOM 1533 CG GLU B 213 7.175 23.385 25.167 1.00 0.00 C ATOM 1534 CD GLU B 213 8.282 22.335 25.413 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.318 21.750 26.525 1.00 0.00 O ATOM 1536 OE2 GLU B 213 9.140 22.119 24.519 1.00 0.00 O ATOM 0 H GLU B 213 7.797 26.951 26.801 1.00 0.00 H new ATOM 0 HA GLU B 213 6.236 26.017 24.591 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.433 25.101 25.499 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.578 24.555 26.929 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.224 22.996 25.530 1.00 0.00 H new ATOM 0 HG3 GLU B 213 7.065 23.547 24.095 1.00 0.00 H new ATOM 1543 N SER B 214 4.801 25.700 27.525 1.00 0.00 N ATOM 1544 CA SER B 214 3.474 25.486 28.148 1.00 0.00 C ATOM 1545 C SER B 214 2.449 26.488 27.555 1.00 0.00 C ATOM 1546 O SER B 214 1.320 26.116 27.181 1.00 0.00 O ATOM 1547 CB SER B 214 3.576 25.630 29.685 1.00 0.00 C ATOM 1548 OG SER B 214 2.363 25.264 30.328 1.00 0.00 O ATOM 0 H SER B 214 5.519 26.033 28.169 1.00 0.00 H new ATOM 0 HA SER B 214 3.130 24.475 27.930 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.388 25.005 30.056 1.00 0.00 H new ATOM 0 HB3 SER B 214 3.826 26.660 29.938 1.00 0.00 H new ATOM 0 HG SER B 214 2.463 25.365 31.298 1.00 0.00 H new ATOM 1554 N HIS B 215 2.899 27.753 27.424 1.00 0.00 N ATOM 1555 CA HIS B 215 2.088 28.850 26.854 1.00 0.00 C ATOM 1556 C HIS B 215 1.857 28.684 25.352 1.00 0.00 C ATOM 1557 O HIS B 215 0.888 29.226 24.833 1.00 0.00 O ATOM 1558 CB HIS B 215 2.743 30.233 27.134 1.00 0.00 C ATOM 1559 CG HIS B 215 2.481 30.761 28.512 1.00 0.00 C ATOM 1560 ND1 HIS B 215 3.267 30.472 29.600 1.00 0.00 N ATOM 1561 CD2 HIS B 215 1.491 31.556 28.974 1.00 0.00 C ATOM 1562 CE1 HIS B 215 2.777 31.067 30.662 1.00 0.00 C ATOM 1563 NE2 HIS B 215 1.697 31.731 30.308 1.00 0.00 N ATOM 0 H HIS B 215 3.834 28.043 27.710 1.00 0.00 H new ATOM 0 HA HIS B 215 1.118 28.804 27.348 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.820 30.151 26.986 1.00 0.00 H new ATOM 0 HB3 HIS B 215 2.375 30.953 26.403 1.00 0.00 H new ATOM 0 HD2 HIS B 215 0.684 31.976 28.392 1.00 0.00 H new ATOM 0 HE1 HIS B 215 3.190 31.020 31.659 1.00 0.00 H new ATOM 0 HE2 HIS B 215 1.110 32.286 30.931 1.00 0.00 H new ATOM 1572 N ILE B 216 2.752 27.963 24.645 1.00 0.00 N ATOM 1573 CA ILE B 216 2.618 27.789 23.190 1.00 0.00 C ATOM 1574 C ILE B 216 1.426 26.882 22.903 1.00 0.00 C ATOM 1575 O ILE B 216 0.615 27.204 22.030 1.00 0.00 O ATOM 1576 CB ILE B 216 3.951 27.288 22.475 1.00 0.00 C ATOM 1577 CG1 ILE B 216 4.027 27.782 20.990 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.158 25.746 22.517 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.084 27.092 20.010 1.00 0.00 C ATOM 0 H ILE B 216 3.563 27.499 25.054 1.00 0.00 H new ATOM 0 HA ILE B 216 2.437 28.771 22.753 1.00 0.00 H new ATOM 0 HB ILE B 216 4.758 27.733 23.057 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.819 28.852 20.972 1.00 0.00 H new ATOM 0 HG13 ILE B 216 5.049 27.650 20.635 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.088 25.490 22.009 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.208 25.414 23.554 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.324 25.253 22.018 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.223 27.513 19.014 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.302 26.024 19.986 1.00 0.00 H new ATOM 0 HD13 ILE B 216 2.053 27.245 20.328 1.00 0.00 H new ATOM 1591 N ASN B 217 1.300 25.780 23.672 1.00 0.00 N ATOM 1592 CA ASN B 217 0.159 24.870 23.523 1.00 0.00 C ATOM 1593 C ASN B 217 -1.158 25.602 23.832 1.00 0.00 C ATOM 1594 O ASN B 217 -2.117 25.501 23.061 1.00 0.00 O ATOM 1595 CB ASN B 217 0.308 23.625 24.428 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.895 22.683 24.300 1.00 0.00 C ATOM 1597 OD1 ASN B 217 -0.945 21.835 23.413 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -1.881 22.840 25.166 1.00 0.00 N ATOM 0 H ASN B 217 1.969 25.506 24.392 1.00 0.00 H new ATOM 0 HA ASN B 217 0.138 24.530 22.487 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.219 23.089 24.163 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.414 23.940 25.466 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -2.710 22.249 25.108 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -1.813 23.552 25.893 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.165 26.356 24.948 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.367 27.053 25.440 1.00 0.00 C ATOM 1607 C LYS B 218 -2.863 28.139 24.459 1.00 0.00 C ATOM 1608 O LYS B 218 -4.068 28.209 24.135 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.095 27.672 26.843 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.340 28.324 27.542 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.202 27.345 28.410 1.00 0.00 C ATOM 1612 CE LYS B 218 -4.838 26.165 27.631 1.00 0.00 C ATOM 1613 NZ LYS B 218 -5.691 26.620 26.493 1.00 0.00 N ATOM 0 H LYS B 218 -0.340 26.498 25.531 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.160 26.309 25.520 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.700 26.893 27.495 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.317 28.429 26.743 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -2.995 29.140 28.177 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.978 28.764 26.776 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -3.575 26.940 29.205 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -4.998 27.914 28.891 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -4.048 25.517 27.251 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -5.440 25.566 28.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -6.105 25.793 26.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -6.453 27.230 26.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -5.110 27.154 25.816 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.916 28.976 23.991 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.202 30.064 23.041 1.00 0.00 C ATOM 1629 C HIS B 219 -2.698 29.476 21.726 1.00 0.00 C ATOM 1630 O HIS B 219 -3.572 30.047 21.088 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.940 30.947 22.779 1.00 0.00 C ATOM 1632 CG HIS B 219 -1.220 32.430 22.729 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -1.103 33.199 21.570 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -1.526 33.253 23.769 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -1.350 34.442 21.962 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -1.607 34.513 23.269 1.00 0.00 N ATOM 0 H HIS B 219 -0.934 28.915 24.261 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.971 30.700 23.479 1.00 0.00 H new ATOM 0 HB2 HIS B 219 -0.207 30.754 23.562 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.487 30.642 21.835 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -1.676 32.959 24.797 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -1.344 35.296 21.301 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -1.824 35.359 23.796 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.099 28.331 21.338 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.482 27.584 20.155 1.00 0.00 C ATOM 1646 C LEU B 220 -3.929 27.074 20.256 1.00 0.00 C ATOM 1647 O LEU B 220 -4.648 27.180 19.282 1.00 0.00 O ATOM 1648 CB LEU B 220 -1.520 26.410 19.939 1.00 0.00 C ATOM 1649 CG LEU B 220 -1.860 25.466 18.760 1.00 0.00 C ATOM 1650 CD1 LEU B 220 -1.851 26.223 17.414 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.917 24.261 18.754 1.00 0.00 C ATOM 0 H LEU B 220 -1.328 27.907 21.854 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.425 28.257 19.300 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -0.518 26.810 19.782 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -1.487 25.819 20.854 1.00 0.00 H new ATOM 0 HG LEU B 220 -2.874 25.090 18.897 1.00 0.00 H new ATOM 0 HD11 LEU B 220 -2.093 25.532 16.606 1.00 0.00 H new ATOM 0 HD12 LEU B 220 -2.591 27.023 17.442 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.862 26.649 17.243 1.00 0.00 H new ATOM 0 HD21 LEU B 220 -1.168 23.606 17.919 1.00 0.00 H new ATOM 0 HD22 LEU B 220 0.112 24.605 18.648 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -1.022 23.712 19.690 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.335 26.552 21.444 1.00 0.00 N ATOM 1664 CA ASP B 221 -5.720 26.063 21.691 1.00 0.00 C ATOM 1665 C ASP B 221 -6.742 27.150 21.330 1.00 0.00 C ATOM 1666 O ASP B 221 -7.793 26.876 20.741 1.00 0.00 O ATOM 1667 CB ASP B 221 -5.922 25.648 23.180 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.222 24.337 23.573 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -5.556 23.289 22.986 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.371 24.339 24.490 1.00 0.00 O ATOM 0 H ASP B 221 -3.718 26.458 22.251 1.00 0.00 H new ATOM 0 HA ASP B 221 -5.873 25.187 21.061 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.554 26.449 23.821 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -6.990 25.549 23.375 1.00 0.00 H new ATOM 1675 N SER B 222 -6.392 28.394 21.690 1.00 0.00 N ATOM 1676 CA SER B 222 -7.221 29.577 21.405 1.00 0.00 C ATOM 1677 C SER B 222 -7.107 29.966 19.912 1.00 0.00 C ATOM 1678 O SER B 222 -8.109 30.262 19.255 1.00 0.00 O ATOM 1679 CB SER B 222 -6.772 30.747 22.313 1.00 0.00 C ATOM 1680 OG SER B 222 -7.532 31.928 22.081 1.00 0.00 O ATOM 0 H SER B 222 -5.527 28.609 22.186 1.00 0.00 H new ATOM 0 HA SER B 222 -8.266 29.347 21.613 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.871 30.453 23.358 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.716 30.956 22.139 1.00 0.00 H new ATOM 0 HG SER B 222 -7.218 32.641 22.675 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.870 29.903 19.391 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.509 30.406 18.057 1.00 0.00 C ATOM 1688 C CYS B 223 -5.939 29.452 16.918 1.00 0.00 C ATOM 1689 O CYS B 223 -6.039 29.880 15.765 1.00 0.00 O ATOM 1690 CB CYS B 223 -3.988 30.700 18.020 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.525 32.134 19.066 1.00 0.00 S ATOM 0 H CYS B 223 -5.082 29.495 19.893 1.00 0.00 H new ATOM 0 HA CYS B 223 -6.059 31.330 17.881 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.442 29.818 18.356 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.683 30.891 16.991 1.00 0.00 H new ATOM 0 HG CYS B 223 -3.364 31.741 20.295 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.205 28.164 17.239 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.619 27.158 16.232 1.00 0.00 C ATOM 1698 C LEU B 224 -8.151 27.127 16.091 1.00 0.00 C ATOM 1699 O LEU B 224 -8.680 26.409 15.231 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.001 25.744 16.557 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.432 25.001 17.885 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -7.825 24.323 17.805 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.358 23.973 18.298 1.00 0.00 C ATOM 0 H LEU B 224 -6.140 27.797 18.188 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.222 27.450 15.260 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.234 25.084 15.721 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -4.917 25.857 16.581 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.518 25.775 18.647 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.047 23.836 18.754 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.585 25.076 17.597 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -7.823 23.580 17.007 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -5.669 23.470 19.214 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.234 23.237 17.504 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.411 24.485 18.469 1.00 0.00 H new