USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 49 ASN : amide:sc= 0 K(o=-2.1,f=-5.8) USER MOD Set 1.2: A 52 GLN : amide:sc= -2.06! C(o=-2.1!,f=-4.5!) USER MOD Set 2.1: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -122:sc= 0.0584 (180deg=-1.05) USER MOD Set 3.1: A 18 THR OG1 : rot -49:sc= 1.04 USER MOD Set 3.2: A 20 ASN : amide:sc= 0.352 K(o=1.4,f=0.68) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.03 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.112 (180deg=-0.563) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.25) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= -0.0697 (180deg=-1.43!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 80:sc= 0.533 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.251 F(o=-0.81,f=-0.25) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc=0.000138 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 172:sc= 0.274 USER MOD Single : A 48 LYS NZ :NH3+ -124:sc= 0.951 (180deg=0.172) USER MOD Single : A 51 ASN : amide:sc= -0.0122 K(o=-0.012,f=-0.76) USER MOD Single : A 54 SER OG : rot -26:sc= 0.368 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 61 MET CE :methyl 144:sc= -0.506 (180deg=-3.47!) USER MOD Single : A 62 LYS NZ :NH3+ 142:sc= -1.45 (180deg=-3.58!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.269 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0699) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0717 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.714 -11.855 19.288 1.00 13.02 N ATOM 2 CA SER A 1 11.411 -11.053 18.061 1.00 64.05 C ATOM 3 C SER A 1 12.676 -10.832 17.207 1.00 22.41 C ATOM 4 O SER A 1 13.746 -10.529 17.738 1.00 60.32 O ATOM 5 CB SER A 1 10.786 -9.687 18.443 1.00 40.12 C ATOM 6 OG SER A 1 10.457 -8.909 17.292 1.00 11.40 O ATOM 0 H1 SER A 1 10.843 -11.986 19.841 1.00 13.02 H new ATOM 0 H2 SER A 1 12.092 -12.784 19.011 1.00 13.02 H new ATOM 0 H3 SER A 1 12.418 -11.353 19.866 1.00 13.02 H new ATOM 0 HA SER A 1 10.693 -11.619 17.467 1.00 64.05 H new ATOM 0 HB2 SER A 1 9.888 -9.853 19.037 1.00 40.12 H new ATOM 0 HB3 SER A 1 11.484 -9.131 19.069 1.00 40.12 H new ATOM 0 HG SER A 1 10.064 -8.057 17.575 1.00 11.40 H new ATOM 14 N HIS A 2 12.545 -10.990 15.877 1.00 10.01 N ATOM 15 CA HIS A 2 13.643 -10.753 14.912 1.00 43.31 C ATOM 16 C HIS A 2 13.194 -9.725 13.847 1.00 44.50 C ATOM 17 O HIS A 2 12.489 -10.070 12.895 1.00 54.22 O ATOM 18 CB HIS A 2 14.079 -12.089 14.256 1.00 15.43 C ATOM 19 CG HIS A 2 14.641 -13.096 15.233 1.00 44.14 C ATOM 20 ND1 HIS A 2 13.991 -14.263 15.573 1.00 34.04 N ATOM 21 CD2 HIS A 2 15.806 -13.108 15.926 1.00 11.40 C ATOM 22 CE1 HIS A 2 14.723 -14.945 16.428 1.00 4.43 C ATOM 23 NE2 HIS A 2 15.828 -14.272 16.657 1.00 72.03 N ATOM 0 H HIS A 2 11.674 -11.286 15.437 1.00 10.01 H new ATOM 0 HA HIS A 2 14.504 -10.343 15.440 1.00 43.31 H new ATOM 0 HB2 HIS A 2 13.221 -12.530 13.748 1.00 15.43 H new ATOM 0 HB3 HIS A 2 14.829 -11.880 13.493 1.00 15.43 H new ATOM 0 HD2 HIS A 2 16.572 -12.347 15.907 1.00 11.40 H new ATOM 0 HE1 HIS A 2 14.460 -15.896 16.867 1.00 4.43 H new ATOM 0 HE2 HIS A 2 16.582 -14.566 17.278 1.00 72.03 H new ATOM 32 N MET A 3 13.582 -8.446 14.043 1.00 20.23 N ATOM 33 CA MET A 3 13.150 -7.319 13.176 1.00 20.14 C ATOM 34 C MET A 3 14.363 -6.574 12.562 1.00 13.11 C ATOM 35 O MET A 3 15.100 -5.877 13.273 1.00 1.54 O ATOM 36 CB MET A 3 12.284 -6.320 13.995 1.00 23.12 C ATOM 37 CG MET A 3 10.984 -6.902 14.568 1.00 1.33 C ATOM 38 SD MET A 3 10.058 -5.694 15.549 1.00 44.41 S ATOM 39 CE MET A 3 9.752 -4.393 14.352 1.00 10.11 C ATOM 0 H MET A 3 14.201 -8.163 14.803 1.00 20.23 H new ATOM 0 HA MET A 3 12.560 -7.736 12.360 1.00 20.14 H new ATOM 0 HB2 MET A 3 12.884 -5.933 14.818 1.00 23.12 H new ATOM 0 HB3 MET A 3 12.034 -5.472 13.357 1.00 23.12 H new ATOM 0 HG2 MET A 3 10.358 -7.258 13.750 1.00 1.33 H new ATOM 0 HG3 MET A 3 11.219 -7.766 15.189 1.00 1.33 H new ATOM 0 HE1 MET A 3 8.943 -3.755 14.707 1.00 10.11 H new ATOM 0 HE2 MET A 3 10.655 -3.796 14.224 1.00 10.11 H new ATOM 0 HE3 MET A 3 9.472 -4.836 13.396 1.00 10.11 H new ATOM 49 N LYS A 4 14.574 -6.755 11.248 1.00 73.32 N ATOM 50 CA LYS A 4 15.529 -5.949 10.454 1.00 75.54 C ATOM 51 C LYS A 4 14.742 -4.959 9.553 1.00 52.11 C ATOM 52 O LYS A 4 14.024 -5.371 8.630 1.00 3.03 O ATOM 53 CB LYS A 4 16.484 -6.872 9.627 1.00 52.02 C ATOM 54 CG LYS A 4 15.788 -7.946 8.743 1.00 2.40 C ATOM 55 CD LYS A 4 16.796 -8.782 7.919 1.00 22.21 C ATOM 56 CE LYS A 4 16.116 -9.848 7.038 1.00 24.13 C ATOM 57 NZ LYS A 4 17.099 -10.592 6.207 1.00 22.22 N ATOM 0 H LYS A 4 14.088 -7.465 10.701 1.00 73.32 H new ATOM 0 HA LYS A 4 16.163 -5.368 11.124 1.00 75.54 H new ATOM 0 HB2 LYS A 4 17.100 -6.243 8.984 1.00 52.02 H new ATOM 0 HB3 LYS A 4 17.158 -7.378 10.318 1.00 52.02 H new ATOM 0 HG2 LYS A 4 15.204 -8.611 9.379 1.00 2.40 H new ATOM 0 HG3 LYS A 4 15.088 -7.456 8.066 1.00 2.40 H new ATOM 0 HD2 LYS A 4 17.381 -8.115 7.286 1.00 22.21 H new ATOM 0 HD3 LYS A 4 17.494 -9.271 8.598 1.00 22.21 H new ATOM 0 HE2 LYS A 4 15.572 -10.549 7.671 1.00 24.13 H new ATOM 0 HE3 LYS A 4 15.382 -9.369 6.390 1.00 24.13 H new ATOM 0 HZ1 LYS A 4 16.601 -11.299 5.630 1.00 22.22 H new ATOM 0 HZ2 LYS A 4 17.600 -9.927 5.584 1.00 22.22 H new ATOM 0 HZ3 LYS A 4 17.784 -11.071 6.825 1.00 22.22 H new ATOM 71 N ASN A 5 14.845 -3.648 9.867 1.00 61.31 N ATOM 72 CA ASN A 5 14.104 -2.589 9.143 1.00 50.43 C ATOM 73 C ASN A 5 14.574 -2.474 7.665 1.00 42.13 C ATOM 74 O ASN A 5 15.760 -2.246 7.391 1.00 35.44 O ATOM 75 CB ASN A 5 14.215 -1.225 9.891 1.00 34.21 C ATOM 76 CG ASN A 5 15.655 -0.759 10.126 1.00 11.42 C ATOM 77 OD1 ASN A 5 16.276 -1.116 11.120 1.00 22.12 O ATOM 78 ND2 ASN A 5 16.199 0.033 9.218 1.00 63.43 N ATOM 0 H ASN A 5 15.436 -3.297 10.620 1.00 61.31 H new ATOM 0 HA ASN A 5 13.051 -2.871 9.121 1.00 50.43 H new ATOM 0 HB2 ASN A 5 13.687 -0.464 9.317 1.00 34.21 H new ATOM 0 HB3 ASN A 5 13.709 -1.308 10.853 1.00 34.21 H new ATOM 0 HD21 ASN A 5 17.157 0.361 9.336 1.00 63.43 H new ATOM 0 HD22 ASN A 5 15.660 0.316 8.399 1.00 63.43 H new ATOM 85 N VAL A 6 13.627 -2.683 6.733 1.00 4.25 N ATOM 86 CA VAL A 6 13.881 -2.609 5.278 1.00 31.41 C ATOM 87 C VAL A 6 14.299 -1.165 4.854 1.00 4.34 C ATOM 88 O VAL A 6 13.460 -0.271 4.702 1.00 14.42 O ATOM 89 CB VAL A 6 12.629 -3.150 4.455 1.00 14.13 C ATOM 90 CG1 VAL A 6 11.299 -2.444 4.855 1.00 32.03 C ATOM 91 CG2 VAL A 6 12.875 -3.079 2.922 1.00 10.44 C ATOM 0 H VAL A 6 12.660 -2.909 6.966 1.00 4.25 H new ATOM 0 HA VAL A 6 14.722 -3.261 5.040 1.00 31.41 H new ATOM 0 HB VAL A 6 12.515 -4.201 4.722 1.00 14.13 H new ATOM 0 HG11 VAL A 6 10.479 -2.851 4.264 1.00 32.03 H new ATOM 0 HG12 VAL A 6 11.102 -2.613 5.914 1.00 32.03 H new ATOM 0 HG13 VAL A 6 11.385 -1.374 4.668 1.00 32.03 H new ATOM 0 HG21 VAL A 6 11.999 -3.457 2.395 1.00 10.44 H new ATOM 0 HG22 VAL A 6 13.056 -2.045 2.630 1.00 10.44 H new ATOM 0 HG23 VAL A 6 13.743 -3.686 2.664 1.00 10.44 H new ATOM 101 N ILE A 7 15.629 -0.944 4.736 1.00 14.42 N ATOM 102 CA ILE A 7 16.200 0.377 4.392 1.00 55.14 C ATOM 103 C ILE A 7 15.854 0.790 2.929 1.00 70.44 C ATOM 104 O ILE A 7 16.532 0.423 1.958 1.00 71.12 O ATOM 105 CB ILE A 7 17.760 0.441 4.668 1.00 24.10 C ATOM 106 CG1 ILE A 7 18.548 -0.699 3.924 1.00 24.34 C ATOM 107 CG2 ILE A 7 18.042 0.402 6.197 1.00 64.34 C ATOM 108 CD1 ILE A 7 20.058 -0.507 3.885 1.00 5.45 C ATOM 0 H ILE A 7 16.331 -1.671 4.876 1.00 14.42 H new ATOM 0 HA ILE A 7 15.733 1.107 5.053 1.00 55.14 H new ATOM 0 HB ILE A 7 18.121 1.387 4.266 1.00 24.10 H new ATOM 0 HG12 ILE A 7 18.329 -1.650 4.409 1.00 24.34 H new ATOM 0 HG13 ILE A 7 18.178 -0.770 2.901 1.00 24.34 H new ATOM 0 HG21 ILE A 7 19.117 0.447 6.370 1.00 64.34 H new ATOM 0 HG22 ILE A 7 17.561 1.254 6.677 1.00 64.34 H new ATOM 0 HG23 ILE A 7 17.645 -0.522 6.617 1.00 64.34 H new ATOM 0 HD11 ILE A 7 20.517 -1.340 3.353 1.00 5.45 H new ATOM 0 HD12 ILE A 7 20.293 0.425 3.371 1.00 5.45 H new ATOM 0 HD13 ILE A 7 20.446 -0.468 4.903 1.00 5.45 H new ATOM 120 N LYS A 8 14.740 1.521 2.791 1.00 73.33 N ATOM 121 CA LYS A 8 14.252 2.010 1.497 1.00 12.44 C ATOM 122 C LYS A 8 15.053 3.248 1.039 1.00 13.10 C ATOM 123 O LYS A 8 15.013 4.307 1.688 1.00 12.34 O ATOM 124 CB LYS A 8 12.741 2.340 1.590 1.00 15.04 C ATOM 125 CG LYS A 8 12.143 2.942 0.297 1.00 53.31 C ATOM 126 CD LYS A 8 10.647 3.293 0.425 1.00 42.22 C ATOM 127 CE LYS A 8 10.113 4.009 -0.824 1.00 13.11 C ATOM 128 NZ LYS A 8 8.670 4.299 -0.709 1.00 64.14 N ATOM 0 H LYS A 8 14.150 1.790 3.578 1.00 73.33 H new ATOM 0 HA LYS A 8 14.394 1.225 0.754 1.00 12.44 H new ATOM 0 HB2 LYS A 8 12.196 1.429 1.839 1.00 15.04 H new ATOM 0 HB3 LYS A 8 12.583 3.040 2.410 1.00 15.04 H new ATOM 0 HG2 LYS A 8 12.699 3.841 0.032 1.00 53.31 H new ATOM 0 HG3 LYS A 8 12.274 2.233 -0.521 1.00 53.31 H new ATOM 0 HD2 LYS A 8 10.074 2.381 0.592 1.00 42.22 H new ATOM 0 HD3 LYS A 8 10.497 3.928 1.298 1.00 42.22 H new ATOM 0 HE2 LYS A 8 10.661 4.939 -0.973 1.00 13.11 H new ATOM 0 HE3 LYS A 8 10.291 3.390 -1.703 1.00 13.11 H new ATOM 0 HZ1 LYS A 8 8.442 5.151 -1.260 1.00 64.14 H new ATOM 0 HZ2 LYS A 8 8.124 3.493 -1.075 1.00 64.14 H new ATOM 0 HZ3 LYS A 8 8.426 4.458 0.290 1.00 64.14 H new ATOM 142 N LYS A 9 15.807 3.094 -0.059 1.00 42.22 N ATOM 143 CA LYS A 9 16.484 4.215 -0.734 1.00 54.11 C ATOM 144 C LYS A 9 15.514 4.907 -1.717 1.00 0.24 C ATOM 145 O LYS A 9 14.601 4.258 -2.248 1.00 2.35 O ATOM 146 CB LYS A 9 17.746 3.716 -1.479 1.00 32.23 C ATOM 147 CG LYS A 9 18.817 3.104 -0.548 1.00 71.14 C ATOM 148 CD LYS A 9 20.129 2.750 -1.288 1.00 43.13 C ATOM 149 CE LYS A 9 21.224 2.245 -0.326 1.00 50.50 C ATOM 150 NZ LYS A 9 22.497 1.943 -1.033 1.00 73.32 N ATOM 0 H LYS A 9 15.966 2.191 -0.505 1.00 42.22 H new ATOM 0 HA LYS A 9 16.795 4.940 0.018 1.00 54.11 H new ATOM 0 HB2 LYS A 9 17.450 2.970 -2.217 1.00 32.23 H new ATOM 0 HB3 LYS A 9 18.187 4.549 -2.027 1.00 32.23 H new ATOM 0 HG2 LYS A 9 19.037 3.807 0.255 1.00 71.14 H new ATOM 0 HG3 LYS A 9 18.415 2.204 -0.082 1.00 71.14 H new ATOM 0 HD2 LYS A 9 19.926 1.985 -2.038 1.00 43.13 H new ATOM 0 HD3 LYS A 9 20.493 3.629 -1.820 1.00 43.13 H new ATOM 0 HE2 LYS A 9 21.406 2.997 0.441 1.00 50.50 H new ATOM 0 HE3 LYS A 9 20.872 1.348 0.184 1.00 50.50 H new ATOM 0 HZ1 LYS A 9 23.203 1.607 -0.348 1.00 73.32 H new ATOM 0 HZ2 LYS A 9 22.331 1.206 -1.748 1.00 73.32 H new ATOM 0 HZ3 LYS A 9 22.848 2.804 -1.498 1.00 73.32 H new ATOM 164 N LYS A 10 15.745 6.217 -1.948 1.00 3.33 N ATOM 165 CA LYS A 10 14.889 7.091 -2.791 1.00 41.15 C ATOM 166 C LYS A 10 13.468 7.275 -2.188 1.00 53.21 C ATOM 167 O LYS A 10 12.627 6.369 -2.252 1.00 52.15 O ATOM 168 CB LYS A 10 14.792 6.572 -4.257 1.00 55.33 C ATOM 169 CG LYS A 10 13.958 7.468 -5.214 1.00 40.13 C ATOM 170 CD LYS A 10 13.610 6.759 -6.542 1.00 42.53 C ATOM 171 CE LYS A 10 12.689 5.536 -6.335 1.00 50.43 C ATOM 172 NZ LYS A 10 12.358 4.861 -7.611 1.00 44.10 N ATOM 0 H LYS A 10 16.544 6.709 -1.549 1.00 3.33 H new ATOM 0 HA LYS A 10 15.375 8.066 -2.809 1.00 41.15 H new ATOM 0 HB2 LYS A 10 15.800 6.475 -4.660 1.00 55.33 H new ATOM 0 HB3 LYS A 10 14.356 5.573 -4.245 1.00 55.33 H new ATOM 0 HG2 LYS A 10 13.037 7.767 -4.714 1.00 40.13 H new ATOM 0 HG3 LYS A 10 14.515 8.380 -5.429 1.00 40.13 H new ATOM 0 HD2 LYS A 10 13.123 7.468 -7.212 1.00 42.53 H new ATOM 0 HD3 LYS A 10 14.530 6.439 -7.031 1.00 42.53 H new ATOM 0 HE2 LYS A 10 13.176 4.826 -5.666 1.00 50.43 H new ATOM 0 HE3 LYS A 10 11.769 5.855 -5.846 1.00 50.43 H new ATOM 0 HZ1 LYS A 10 11.739 4.047 -7.423 1.00 44.10 H new ATOM 0 HZ2 LYS A 10 11.870 5.529 -8.241 1.00 44.10 H new ATOM 0 HZ3 LYS A 10 13.233 4.532 -8.067 1.00 44.10 H new ATOM 186 N GLY A 11 13.236 8.437 -1.557 1.00 23.22 N ATOM 187 CA GLY A 11 11.879 8.866 -1.198 1.00 23.04 C ATOM 188 C GLY A 11 11.219 9.580 -2.376 1.00 22.45 C ATOM 189 O GLY A 11 11.809 10.521 -2.932 1.00 50.43 O ATOM 0 H GLY A 11 13.969 9.093 -1.287 1.00 23.22 H new ATOM 0 HA2 GLY A 11 11.282 8.002 -0.907 1.00 23.04 H new ATOM 0 HA3 GLY A 11 11.917 9.532 -0.336 1.00 23.04 H new ATOM 193 N GLU A 12 10.015 9.132 -2.780 1.00 53.11 N ATOM 194 CA GLU A 12 9.310 9.675 -3.965 1.00 10.50 C ATOM 195 C GLU A 12 8.974 11.194 -3.823 1.00 70.41 C ATOM 196 O GLU A 12 8.663 11.688 -2.730 1.00 11.23 O ATOM 197 CB GLU A 12 8.018 8.850 -4.271 1.00 72.52 C ATOM 198 CG GLU A 12 8.251 7.456 -4.920 1.00 13.41 C ATOM 199 CD GLU A 12 8.983 6.441 -4.019 1.00 21.45 C ATOM 200 OE1 GLU A 12 8.329 5.832 -3.153 1.00 52.44 O ATOM 201 OE2 GLU A 12 10.210 6.251 -4.163 1.00 24.12 O ATOM 0 H GLU A 12 9.504 8.390 -2.301 1.00 53.11 H new ATOM 0 HA GLU A 12 9.996 9.580 -4.807 1.00 10.50 H new ATOM 0 HB2 GLU A 12 7.468 8.711 -3.340 1.00 72.52 H new ATOM 0 HB3 GLU A 12 7.381 9.437 -4.932 1.00 72.52 H new ATOM 0 HG2 GLU A 12 7.286 7.038 -5.206 1.00 13.41 H new ATOM 0 HG3 GLU A 12 8.826 7.588 -5.837 1.00 13.41 H new ATOM 208 N ILE A 13 9.068 11.917 -4.952 1.00 71.42 N ATOM 209 CA ILE A 13 8.760 13.365 -5.036 1.00 24.21 C ATOM 210 C ILE A 13 7.222 13.571 -5.128 1.00 31.45 C ATOM 211 O ILE A 13 6.512 12.678 -5.615 1.00 12.21 O ATOM 212 CB ILE A 13 9.504 13.996 -6.277 1.00 40.00 C ATOM 213 CG1 ILE A 13 11.040 13.678 -6.195 1.00 73.22 C ATOM 214 CG2 ILE A 13 9.259 15.523 -6.382 1.00 43.41 C ATOM 215 CD1 ILE A 13 11.864 14.124 -7.397 1.00 64.12 C ATOM 0 H ILE A 13 9.362 11.515 -5.842 1.00 71.42 H new ATOM 0 HA ILE A 13 9.114 13.871 -4.138 1.00 24.21 H new ATOM 0 HB ILE A 13 9.095 13.546 -7.182 1.00 40.00 H new ATOM 0 HG12 ILE A 13 11.445 14.153 -5.302 1.00 73.22 H new ATOM 0 HG13 ILE A 13 11.165 12.603 -6.069 1.00 73.22 H new ATOM 0 HG21 ILE A 13 9.789 15.918 -7.249 1.00 43.41 H new ATOM 0 HG22 ILE A 13 8.191 15.714 -6.491 1.00 43.41 H new ATOM 0 HG23 ILE A 13 9.625 16.013 -5.480 1.00 43.41 H new ATOM 0 HD11 ILE A 13 12.909 13.858 -7.240 1.00 64.12 H new ATOM 0 HD12 ILE A 13 11.494 13.630 -8.295 1.00 64.12 H new ATOM 0 HD13 ILE A 13 11.779 15.204 -7.516 1.00 64.12 H new ATOM 227 N ILE A 14 6.730 14.744 -4.649 1.00 35.24 N ATOM 228 CA ILE A 14 5.279 15.061 -4.469 1.00 75.11 C ATOM 229 C ILE A 14 4.717 14.343 -3.215 1.00 22.13 C ATOM 230 O ILE A 14 4.257 14.979 -2.255 1.00 1.52 O ATOM 231 CB ILE A 14 4.367 14.745 -5.740 1.00 3.21 C ATOM 232 CG1 ILE A 14 4.860 15.537 -6.997 1.00 60.22 C ATOM 233 CG2 ILE A 14 2.863 15.033 -5.457 1.00 41.24 C ATOM 234 CD1 ILE A 14 4.105 15.229 -8.287 1.00 55.22 C ATOM 0 H ILE A 14 7.339 15.514 -4.370 1.00 35.24 H new ATOM 0 HA ILE A 14 5.235 16.142 -4.335 1.00 75.11 H new ATOM 0 HB ILE A 14 4.462 13.680 -5.950 1.00 3.21 H new ATOM 0 HG12 ILE A 14 4.778 16.604 -6.791 1.00 60.22 H new ATOM 0 HG13 ILE A 14 5.917 15.323 -7.152 1.00 60.22 H new ATOM 0 HG21 ILE A 14 2.275 14.805 -6.346 1.00 41.24 H new ATOM 0 HG22 ILE A 14 2.523 14.411 -4.629 1.00 41.24 H new ATOM 0 HG23 ILE A 14 2.736 16.084 -5.198 1.00 41.24 H new ATOM 0 HD11 ILE A 14 4.518 15.825 -9.101 1.00 55.22 H new ATOM 0 HD12 ILE A 14 4.207 14.170 -8.524 1.00 55.22 H new ATOM 0 HD13 ILE A 14 3.050 15.472 -8.158 1.00 55.22 H new ATOM 246 N ILE A 15 4.771 13.010 -3.253 1.00 1.31 N ATOM 247 CA ILE A 15 4.262 12.117 -2.183 1.00 22.52 C ATOM 248 C ILE A 15 5.416 11.339 -1.508 1.00 62.43 C ATOM 249 O ILE A 15 6.076 10.510 -2.140 1.00 40.32 O ATOM 250 CB ILE A 15 3.184 11.122 -2.767 1.00 45.41 C ATOM 251 CG1 ILE A 15 3.703 10.428 -4.081 1.00 65.22 C ATOM 252 CG2 ILE A 15 1.861 11.874 -3.013 1.00 71.53 C ATOM 253 CD1 ILE A 15 2.730 9.473 -4.741 1.00 43.02 C ATOM 0 H ILE A 15 5.175 12.501 -4.039 1.00 1.31 H new ATOM 0 HA ILE A 15 3.789 12.736 -1.421 1.00 22.52 H new ATOM 0 HB ILE A 15 3.004 10.332 -2.038 1.00 45.41 H new ATOM 0 HG12 ILE A 15 3.969 11.203 -4.800 1.00 65.22 H new ATOM 0 HG13 ILE A 15 4.618 9.883 -3.847 1.00 65.22 H new ATOM 0 HG21 ILE A 15 1.120 11.184 -3.416 1.00 71.53 H new ATOM 0 HG22 ILE A 15 1.498 12.288 -2.073 1.00 71.53 H new ATOM 0 HG23 ILE A 15 2.029 12.682 -3.725 1.00 71.53 H new ATOM 0 HD11 ILE A 15 3.186 9.050 -5.636 1.00 43.02 H new ATOM 0 HD12 ILE A 15 2.481 8.670 -4.047 1.00 43.02 H new ATOM 0 HD13 ILE A 15 1.822 10.010 -5.015 1.00 43.02 H new ATOM 265 N LEU A 16 5.665 11.615 -0.214 1.00 43.40 N ATOM 266 CA LEU A 16 6.759 10.969 0.533 1.00 22.11 C ATOM 267 C LEU A 16 6.336 9.565 1.040 1.00 31.13 C ATOM 268 O LEU A 16 5.915 9.391 2.194 1.00 52.20 O ATOM 269 CB LEU A 16 7.236 11.881 1.699 1.00 13.44 C ATOM 270 CG LEU A 16 8.506 11.389 2.468 1.00 24.33 C ATOM 271 CD1 LEU A 16 9.728 11.284 1.531 1.00 71.34 C ATOM 272 CD2 LEU A 16 8.812 12.291 3.687 1.00 21.31 C ATOM 0 H LEU A 16 5.123 12.282 0.335 1.00 43.40 H new ATOM 0 HA LEU A 16 7.601 10.827 -0.144 1.00 22.11 H new ATOM 0 HB2 LEU A 16 7.438 12.875 1.299 1.00 13.44 H new ATOM 0 HB3 LEU A 16 6.419 11.984 2.413 1.00 13.44 H new ATOM 0 HG LEU A 16 8.292 10.388 2.843 1.00 24.33 H new ATOM 0 HD11 LEU A 16 10.593 10.939 2.098 1.00 71.34 H new ATOM 0 HD12 LEU A 16 9.513 10.576 0.731 1.00 71.34 H new ATOM 0 HD13 LEU A 16 9.942 12.263 1.101 1.00 71.34 H new ATOM 0 HD21 LEU A 16 9.700 11.921 4.199 1.00 21.31 H new ATOM 0 HD22 LEU A 16 8.987 13.312 3.349 1.00 21.31 H new ATOM 0 HD23 LEU A 16 7.965 12.275 4.373 1.00 21.31 H new ATOM 284 N TRP A 17 6.357 8.592 0.118 1.00 64.24 N ATOM 285 CA TRP A 17 6.300 7.160 0.463 1.00 75.35 C ATOM 286 C TRP A 17 7.576 6.735 1.235 1.00 11.41 C ATOM 287 O TRP A 17 8.693 6.844 0.708 1.00 61.11 O ATOM 288 CB TRP A 17 6.163 6.293 -0.816 1.00 33.34 C ATOM 289 CG TRP A 17 4.817 6.318 -1.486 1.00 3.11 C ATOM 290 CD1 TRP A 17 4.470 6.911 -2.665 1.00 5.24 C ATOM 291 CD2 TRP A 17 3.640 5.686 -1.000 1.00 61.04 C ATOM 292 NE1 TRP A 17 3.144 6.670 -2.938 1.00 13.20 N ATOM 293 CE2 TRP A 17 2.613 5.925 -1.922 1.00 42.23 C ATOM 294 CE3 TRP A 17 3.366 4.936 0.132 1.00 34.45 C ATOM 295 CZ2 TRP A 17 1.328 5.438 -1.737 1.00 74.32 C ATOM 296 CZ3 TRP A 17 2.096 4.457 0.321 1.00 54.24 C ATOM 297 CH2 TRP A 17 1.087 4.708 -0.609 1.00 23.44 C ATOM 0 H TRP A 17 6.414 8.772 -0.884 1.00 64.24 H new ATOM 0 HA TRP A 17 5.427 7.004 1.096 1.00 75.35 H new ATOM 0 HB2 TRP A 17 6.912 6.622 -1.536 1.00 33.34 H new ATOM 0 HB3 TRP A 17 6.400 5.261 -0.559 1.00 33.34 H new ATOM 0 HD1 TRP A 17 5.138 7.484 -3.291 1.00 5.24 H new ATOM 0 HE1 TRP A 17 2.639 6.994 -3.763 1.00 13.20 H new ATOM 0 HE3 TRP A 17 4.142 4.732 0.855 1.00 34.45 H new ATOM 0 HZ2 TRP A 17 0.547 5.629 -2.458 1.00 74.32 H new ATOM 0 HZ3 TRP A 17 1.873 3.876 1.204 1.00 54.24 H new ATOM 0 HH2 TRP A 17 0.096 4.317 -0.433 1.00 23.44 H new ATOM 308 N THR A 18 7.408 6.242 2.475 1.00 13.32 N ATOM 309 CA THR A 18 8.536 5.732 3.309 1.00 62.25 C ATOM 310 C THR A 18 8.350 4.235 3.595 1.00 24.33 C ATOM 311 O THR A 18 7.270 3.688 3.360 1.00 11.23 O ATOM 312 CB THR A 18 8.672 6.492 4.680 1.00 4.43 C ATOM 313 OG1 THR A 18 7.536 6.224 5.524 1.00 64.21 O ATOM 314 CG2 THR A 18 8.820 8.011 4.489 1.00 41.33 C ATOM 0 H THR A 18 6.499 6.182 2.933 1.00 13.32 H new ATOM 0 HA THR A 18 9.446 5.905 2.735 1.00 62.25 H new ATOM 0 HB THR A 18 9.579 6.121 5.157 1.00 4.43 H new ATOM 0 HG1 THR A 18 6.710 6.357 5.013 1.00 64.21 H new ATOM 0 HG21 THR A 18 8.911 8.493 5.462 1.00 41.33 H new ATOM 0 HG22 THR A 18 9.712 8.218 3.897 1.00 41.33 H new ATOM 0 HG23 THR A 18 7.943 8.400 3.972 1.00 41.33 H new ATOM 322 N ARG A 19 9.393 3.582 4.158 1.00 21.11 N ATOM 323 CA ARG A 19 9.337 2.142 4.530 1.00 72.24 C ATOM 324 C ARG A 19 8.184 1.834 5.529 1.00 13.25 C ATOM 325 O ARG A 19 7.762 0.684 5.643 1.00 13.02 O ATOM 326 CB ARG A 19 10.691 1.658 5.121 1.00 62.34 C ATOM 327 CG ARG A 19 11.091 2.305 6.471 1.00 43.23 C ATOM 328 CD ARG A 19 12.391 1.708 7.044 1.00 35.53 C ATOM 329 NE ARG A 19 12.793 2.332 8.319 1.00 33.13 N ATOM 330 CZ ARG A 19 14.030 2.628 8.671 1.00 5.45 C ATOM 331 NH1 ARG A 19 15.025 2.479 7.849 1.00 20.02 N ATOM 332 NH2 ARG A 19 14.257 3.095 9.849 1.00 61.34 N ATOM 0 H ARG A 19 10.287 4.027 4.366 1.00 21.11 H new ATOM 0 HA ARG A 19 9.137 1.595 3.609 1.00 72.24 H new ATOM 0 HB2 ARG A 19 10.645 0.577 5.254 1.00 62.34 H new ATOM 0 HB3 ARG A 19 11.478 1.857 4.394 1.00 62.34 H new ATOM 0 HG2 ARG A 19 11.217 3.379 6.333 1.00 43.23 H new ATOM 0 HG3 ARG A 19 10.283 2.168 7.190 1.00 43.23 H new ATOM 0 HD2 ARG A 19 12.258 0.637 7.195 1.00 35.53 H new ATOM 0 HD3 ARG A 19 13.193 1.830 6.316 1.00 35.53 H new ATOM 0 HE ARG A 19 12.052 2.553 8.985 1.00 33.13 H new ATOM 0 HH11 ARG A 19 14.859 2.126 6.907 1.00 20.02 H new ATOM 0 HH12 ARG A 19 15.972 2.715 8.146 1.00 20.02 H new ATOM 0 HH21 ARG A 19 13.484 3.233 10.500 1.00 61.34 H new ATOM 0 HH22 ARG A 19 15.209 3.327 10.131 1.00 61.34 H new ATOM 346 N ASN A 20 7.697 2.871 6.244 1.00 11.22 N ATOM 347 CA ASN A 20 6.540 2.753 7.158 1.00 42.21 C ATOM 348 C ASN A 20 5.235 2.545 6.352 1.00 73.21 C ATOM 349 O ASN A 20 4.489 1.600 6.607 1.00 45.25 O ATOM 350 CB ASN A 20 6.408 4.020 8.038 1.00 24.32 C ATOM 351 CG ASN A 20 7.691 4.344 8.802 1.00 0.43 C ATOM 352 OD1 ASN A 20 7.917 3.866 9.902 1.00 54.14 O ATOM 353 ND2 ASN A 20 8.536 5.177 8.225 1.00 3.11 N ATOM 0 H ASN A 20 8.093 3.810 6.204 1.00 11.22 H new ATOM 0 HA ASN A 20 6.705 1.890 7.803 1.00 42.21 H new ATOM 0 HB2 ASN A 20 6.141 4.869 7.408 1.00 24.32 H new ATOM 0 HB3 ASN A 20 5.593 3.881 8.748 1.00 24.32 H new ATOM 0 HD21 ASN A 20 9.401 5.435 8.699 1.00 3.11 H new ATOM 0 HD22 ASN A 20 8.324 5.563 7.305 1.00 3.11 H new ATOM 360 N ASP A 21 5.006 3.419 5.347 1.00 52.25 N ATOM 361 CA ASP A 21 3.804 3.366 4.483 1.00 62.21 C ATOM 362 C ASP A 21 3.785 2.067 3.632 1.00 2.32 C ATOM 363 O ASP A 21 2.824 1.285 3.669 1.00 54.02 O ATOM 364 CB ASP A 21 3.763 4.598 3.541 1.00 62.52 C ATOM 365 CG ASP A 21 3.806 5.950 4.266 1.00 62.42 C ATOM 366 OD1 ASP A 21 2.754 6.415 4.747 1.00 12.31 O ATOM 367 OD2 ASP A 21 4.892 6.559 4.344 1.00 33.33 O ATOM 0 H ASP A 21 5.646 4.178 5.112 1.00 52.25 H new ATOM 0 HA ASP A 21 2.928 3.373 5.131 1.00 62.21 H new ATOM 0 HB2 ASP A 21 4.606 4.542 2.852 1.00 62.52 H new ATOM 0 HB3 ASP A 21 2.855 4.550 2.939 1.00 62.52 H new ATOM 372 N ASP A 22 4.888 1.871 2.894 1.00 21.31 N ATOM 373 CA ASP A 22 5.109 0.722 1.993 1.00 24.14 C ATOM 374 C ASP A 22 4.942 -0.656 2.702 1.00 65.01 C ATOM 375 O ASP A 22 4.377 -1.597 2.124 1.00 72.40 O ATOM 376 CB ASP A 22 6.524 0.853 1.368 1.00 1.11 C ATOM 377 CG ASP A 22 6.639 2.009 0.345 1.00 61.13 C ATOM 378 OD1 ASP A 22 6.392 3.176 0.713 1.00 64.12 O ATOM 379 OD2 ASP A 22 7.019 1.761 -0.825 1.00 52.00 O ATOM 0 H ASP A 22 5.673 2.522 2.905 1.00 21.31 H new ATOM 0 HA ASP A 22 4.343 0.747 1.218 1.00 24.14 H new ATOM 0 HB2 ASP A 22 7.252 1.008 2.164 1.00 1.11 H new ATOM 0 HB3 ASP A 22 6.784 -0.084 0.877 1.00 1.11 H new ATOM 384 N ARG A 23 5.423 -0.761 3.956 1.00 4.51 N ATOM 385 CA ARG A 23 5.280 -1.997 4.764 1.00 32.13 C ATOM 386 C ARG A 23 3.789 -2.295 5.090 1.00 11.14 C ATOM 387 O ARG A 23 3.337 -3.437 4.958 1.00 73.10 O ATOM 388 CB ARG A 23 6.110 -1.911 6.079 1.00 23.13 C ATOM 389 CG ARG A 23 6.018 -3.165 6.991 1.00 74.42 C ATOM 390 CD ARG A 23 6.557 -4.444 6.314 1.00 44.53 C ATOM 391 NE ARG A 23 6.111 -5.667 7.011 1.00 13.32 N ATOM 392 CZ ARG A 23 5.747 -6.792 6.423 1.00 21.42 C ATOM 393 NH1 ARG A 23 5.788 -6.924 5.131 1.00 24.00 N ATOM 394 NH2 ARG A 23 5.337 -7.788 7.134 1.00 33.33 N ATOM 0 H ARG A 23 5.915 -0.007 4.435 1.00 4.51 H new ATOM 0 HA ARG A 23 5.669 -2.819 4.163 1.00 32.13 H new ATOM 0 HB2 ARG A 23 7.156 -1.742 5.822 1.00 23.13 H new ATOM 0 HB3 ARG A 23 5.777 -1.042 6.646 1.00 23.13 H new ATOM 0 HG2 ARG A 23 6.578 -2.982 7.908 1.00 74.42 H new ATOM 0 HG3 ARG A 23 4.979 -3.323 7.278 1.00 74.42 H new ATOM 0 HD2 ARG A 23 6.222 -4.475 5.277 1.00 44.53 H new ATOM 0 HD3 ARG A 23 7.646 -4.413 6.296 1.00 44.53 H new ATOM 0 HE ARG A 23 6.082 -5.641 8.030 1.00 13.32 H new ATOM 0 HH11 ARG A 23 6.106 -6.149 4.549 1.00 24.00 H new ATOM 0 HH12 ARG A 23 5.502 -7.802 4.699 1.00 24.00 H new ATOM 0 HH21 ARG A 23 5.294 -7.706 8.150 1.00 33.33 H new ATOM 0 HH22 ARG A 23 5.056 -8.657 6.680 1.00 33.33 H new ATOM 408 N VAL A 24 3.040 -1.252 5.499 1.00 14.24 N ATOM 409 CA VAL A 24 1.620 -1.394 5.911 1.00 71.11 C ATOM 410 C VAL A 24 0.701 -1.771 4.718 1.00 73.51 C ATOM 411 O VAL A 24 -0.300 -2.469 4.909 1.00 2.04 O ATOM 412 CB VAL A 24 1.095 -0.109 6.649 1.00 20.11 C ATOM 413 CG1 VAL A 24 -0.381 -0.260 7.093 1.00 14.23 C ATOM 414 CG2 VAL A 24 1.982 0.214 7.873 1.00 1.42 C ATOM 0 H VAL A 24 3.392 -0.296 5.555 1.00 14.24 H new ATOM 0 HA VAL A 24 1.583 -2.220 6.621 1.00 71.11 H new ATOM 0 HB VAL A 24 1.148 0.715 5.938 1.00 20.11 H new ATOM 0 HG11 VAL A 24 -0.704 0.650 7.599 1.00 14.23 H new ATOM 0 HG12 VAL A 24 -1.008 -0.431 6.218 1.00 14.23 H new ATOM 0 HG13 VAL A 24 -0.471 -1.106 7.775 1.00 14.23 H new ATOM 0 HG21 VAL A 24 1.603 1.106 8.371 1.00 1.42 H new ATOM 0 HG22 VAL A 24 1.963 -0.625 8.568 1.00 1.42 H new ATOM 0 HG23 VAL A 24 3.006 0.389 7.544 1.00 1.42 H new ATOM 424 N ILE A 25 1.048 -1.320 3.492 1.00 0.05 N ATOM 425 CA ILE A 25 0.372 -1.797 2.256 1.00 51.02 C ATOM 426 C ILE A 25 0.435 -3.346 2.167 1.00 32.32 C ATOM 427 O ILE A 25 -0.600 -4.020 2.111 1.00 44.23 O ATOM 428 CB ILE A 25 1.001 -1.176 0.949 1.00 14.22 C ATOM 429 CG1 ILE A 25 0.807 0.369 0.908 1.00 21.11 C ATOM 430 CG2 ILE A 25 0.414 -1.829 -0.337 1.00 24.43 C ATOM 431 CD1 ILE A 25 1.498 1.049 -0.265 1.00 12.33 C ATOM 0 H ILE A 25 1.784 -0.633 3.328 1.00 0.05 H new ATOM 0 HA ILE A 25 -0.665 -1.468 2.319 1.00 51.02 H new ATOM 0 HB ILE A 25 2.070 -1.388 0.977 1.00 14.22 H new ATOM 0 HG12 ILE A 25 -0.260 0.590 0.866 1.00 21.11 H new ATOM 0 HG13 ILE A 25 1.185 0.797 1.837 1.00 21.11 H new ATOM 0 HG21 ILE A 25 0.871 -1.376 -1.216 1.00 24.43 H new ATOM 0 HG22 ILE A 25 0.623 -2.899 -0.330 1.00 24.43 H new ATOM 0 HG23 ILE A 25 -0.664 -1.670 -0.366 1.00 24.43 H new ATOM 0 HD11 ILE A 25 1.315 2.123 -0.222 1.00 12.33 H new ATOM 0 HD12 ILE A 25 2.570 0.861 -0.214 1.00 12.33 H new ATOM 0 HD13 ILE A 25 1.104 0.651 -1.200 1.00 12.33 H new ATOM 443 N LEU A 26 1.666 -3.887 2.211 1.00 34.44 N ATOM 444 CA LEU A 26 1.917 -5.344 2.135 1.00 52.15 C ATOM 445 C LEU A 26 1.340 -6.105 3.364 1.00 15.32 C ATOM 446 O LEU A 26 0.954 -7.275 3.248 1.00 53.13 O ATOM 447 CB LEU A 26 3.445 -5.608 1.965 1.00 13.42 C ATOM 448 CG LEU A 26 4.101 -5.007 0.677 1.00 44.44 C ATOM 449 CD1 LEU A 26 5.586 -5.417 0.555 1.00 75.30 C ATOM 450 CD2 LEU A 26 3.303 -5.389 -0.593 1.00 4.31 C ATOM 0 H LEU A 26 2.516 -3.330 2.300 1.00 34.44 H new ATOM 0 HA LEU A 26 1.393 -5.733 1.262 1.00 52.15 H new ATOM 0 HB2 LEU A 26 3.963 -5.205 2.835 1.00 13.42 H new ATOM 0 HB3 LEU A 26 3.611 -6.685 1.965 1.00 13.42 H new ATOM 0 HG LEU A 26 4.069 -3.921 0.770 1.00 44.44 H new ATOM 0 HD11 LEU A 26 6.010 -4.983 -0.350 1.00 75.30 H new ATOM 0 HD12 LEU A 26 6.136 -5.055 1.424 1.00 75.30 H new ATOM 0 HD13 LEU A 26 5.661 -6.503 0.505 1.00 75.30 H new ATOM 0 HD21 LEU A 26 3.785 -4.956 -1.470 1.00 4.31 H new ATOM 0 HD22 LEU A 26 3.276 -6.474 -0.693 1.00 4.31 H new ATOM 0 HD23 LEU A 26 2.286 -5.006 -0.512 1.00 4.31 H new ATOM 462 N LEU A 27 1.266 -5.417 4.526 1.00 13.34 N ATOM 463 CA LEU A 27 0.685 -5.977 5.773 1.00 22.53 C ATOM 464 C LEU A 27 -0.854 -6.165 5.651 1.00 53.34 C ATOM 465 O LEU A 27 -1.382 -7.227 5.966 1.00 63.11 O ATOM 466 CB LEU A 27 1.025 -5.055 6.982 1.00 51.21 C ATOM 467 CG LEU A 27 0.521 -5.525 8.390 1.00 3.11 C ATOM 468 CD1 LEU A 27 1.158 -6.873 8.802 1.00 63.51 C ATOM 469 CD2 LEU A 27 0.766 -4.436 9.464 1.00 35.53 C ATOM 0 H LEU A 27 1.606 -4.461 4.628 1.00 13.34 H new ATOM 0 HA LEU A 27 1.126 -6.960 5.938 1.00 22.53 H new ATOM 0 HB2 LEU A 27 2.108 -4.941 7.029 1.00 51.21 H new ATOM 0 HB3 LEU A 27 0.609 -4.067 6.784 1.00 51.21 H new ATOM 0 HG LEU A 27 -0.555 -5.684 8.316 1.00 3.11 H new ATOM 0 HD11 LEU A 27 0.785 -7.167 9.783 1.00 63.51 H new ATOM 0 HD12 LEU A 27 0.897 -7.638 8.070 1.00 63.51 H new ATOM 0 HD13 LEU A 27 2.242 -6.766 8.843 1.00 63.51 H new ATOM 0 HD21 LEU A 27 0.406 -4.790 10.430 1.00 35.53 H new ATOM 0 HD22 LEU A 27 1.833 -4.223 9.530 1.00 35.53 H new ATOM 0 HD23 LEU A 27 0.231 -3.527 9.189 1.00 35.53 H new ATOM 481 N GLU A 28 -1.558 -5.125 5.184 1.00 61.21 N ATOM 482 CA GLU A 28 -3.032 -5.156 5.010 1.00 3.21 C ATOM 483 C GLU A 28 -3.461 -5.947 3.754 1.00 73.43 C ATOM 484 O GLU A 28 -4.614 -6.348 3.640 1.00 44.11 O ATOM 485 CB GLU A 28 -3.594 -3.717 4.960 1.00 10.40 C ATOM 486 CG GLU A 28 -3.357 -2.892 6.246 1.00 21.32 C ATOM 487 CD GLU A 28 -4.177 -3.362 7.467 1.00 72.40 C ATOM 488 OE1 GLU A 28 -3.715 -4.258 8.216 1.00 2.11 O ATOM 489 OE2 GLU A 28 -5.289 -2.834 7.686 1.00 53.10 O ATOM 0 H GLU A 28 -1.132 -4.238 4.915 1.00 61.21 H new ATOM 0 HA GLU A 28 -3.448 -5.677 5.872 1.00 3.21 H new ATOM 0 HB2 GLU A 28 -3.142 -3.193 4.118 1.00 10.40 H new ATOM 0 HB3 GLU A 28 -4.666 -3.765 4.767 1.00 10.40 H new ATOM 0 HG2 GLU A 28 -2.297 -2.932 6.498 1.00 21.32 H new ATOM 0 HG3 GLU A 28 -3.597 -1.848 6.043 1.00 21.32 H new ATOM 496 N CYS A 29 -2.539 -6.150 2.802 1.00 31.23 N ATOM 497 CA CYS A 29 -2.800 -7.001 1.609 1.00 20.02 C ATOM 498 C CYS A 29 -2.788 -8.515 1.957 1.00 51.00 C ATOM 499 O CYS A 29 -3.524 -9.297 1.352 1.00 34.43 O ATOM 500 CB CYS A 29 -1.803 -6.682 0.474 1.00 10.22 C ATOM 501 SG CYS A 29 -2.057 -5.052 -0.273 1.00 63.34 S ATOM 0 H CYS A 29 -1.605 -5.742 2.825 1.00 31.23 H new ATOM 0 HA CYS A 29 -3.804 -6.763 1.257 1.00 20.02 H new ATOM 0 HB2 CYS A 29 -0.788 -6.739 0.866 1.00 10.22 H new ATOM 0 HB3 CYS A 29 -1.889 -7.445 -0.300 1.00 10.22 H new ATOM 0 HG CYS A 29 -1.533 -4.139 0.489 1.00 63.34 H new ATOM 507 N GLN A 30 -1.948 -8.924 2.928 1.00 44.43 N ATOM 508 CA GLN A 30 -1.954 -10.320 3.458 1.00 72.24 C ATOM 509 C GLN A 30 -3.012 -10.495 4.586 1.00 35.14 C ATOM 510 O GLN A 30 -3.469 -11.612 4.849 1.00 2.12 O ATOM 511 CB GLN A 30 -0.539 -10.730 3.971 1.00 20.14 C ATOM 512 CG GLN A 30 0.026 -9.819 5.075 1.00 14.21 C ATOM 513 CD GLN A 30 1.388 -10.241 5.625 1.00 63.33 C ATOM 514 OE1 GLN A 30 1.668 -9.872 6.858 1.00 21.43 O flip ATOM 515 NE2 GLN A 30 2.196 -10.861 4.940 1.00 73.13 N flip ATOM 0 H GLN A 30 -1.255 -8.317 3.366 1.00 44.43 H new ATOM 0 HA GLN A 30 -2.227 -10.980 2.634 1.00 72.24 H new ATOM 0 HB2 GLN A 30 -0.585 -11.752 4.348 1.00 20.14 H new ATOM 0 HB3 GLN A 30 0.153 -10.732 3.129 1.00 20.14 H new ATOM 0 HG2 GLN A 30 0.107 -8.805 4.683 1.00 14.21 H new ATOM 0 HG3 GLN A 30 -0.687 -9.786 5.898 1.00 14.21 H new ATOM 0 HE21 GLN A 30 1.953 -11.135 3.988 1.00 73.13 H new ATOM 0 HE22 GLN A 30 3.110 -11.103 5.323 1.00 73.13 H new ATOM 524 N LYS A 31 -3.377 -9.377 5.255 1.00 21.44 N ATOM 525 CA LYS A 31 -4.386 -9.361 6.348 1.00 41.32 C ATOM 526 C LYS A 31 -5.827 -9.260 5.773 1.00 5.44 C ATOM 527 O LYS A 31 -6.592 -10.229 5.795 1.00 31.21 O ATOM 528 CB LYS A 31 -4.082 -8.167 7.308 1.00 34.52 C ATOM 529 CG LYS A 31 -5.042 -7.993 8.507 1.00 73.22 C ATOM 530 CD LYS A 31 -4.988 -9.170 9.510 1.00 12.05 C ATOM 531 CE LYS A 31 -5.884 -8.934 10.742 1.00 42.24 C ATOM 532 NZ LYS A 31 -5.826 -10.068 11.699 1.00 75.23 N ATOM 0 H LYS A 31 -2.982 -8.458 5.055 1.00 21.44 H new ATOM 0 HA LYS A 31 -4.324 -10.295 6.907 1.00 41.32 H new ATOM 0 HB2 LYS A 31 -3.070 -8.287 7.694 1.00 34.52 H new ATOM 0 HB3 LYS A 31 -4.093 -7.247 6.724 1.00 34.52 H new ATOM 0 HG2 LYS A 31 -4.796 -7.068 9.029 1.00 73.22 H new ATOM 0 HG3 LYS A 31 -6.061 -7.888 8.135 1.00 73.22 H new ATOM 0 HD2 LYS A 31 -5.299 -10.086 9.008 1.00 12.05 H new ATOM 0 HD3 LYS A 31 -3.959 -9.319 9.836 1.00 12.05 H new ATOM 0 HE2 LYS A 31 -5.574 -8.019 11.246 1.00 42.24 H new ATOM 0 HE3 LYS A 31 -6.914 -8.786 10.418 1.00 42.24 H new ATOM 0 HZ1 LYS A 31 -6.443 -9.868 12.512 1.00 75.23 H new ATOM 0 HZ2 LYS A 31 -6.147 -10.937 11.227 1.00 75.23 H new ATOM 0 HZ3 LYS A 31 -4.848 -10.194 12.029 1.00 75.23 H new ATOM 546 N ARG A 32 -6.161 -8.073 5.245 1.00 61.44 N ATOM 547 CA ARG A 32 -7.499 -7.743 4.703 1.00 73.43 C ATOM 548 C ARG A 32 -7.702 -8.320 3.274 1.00 54.21 C ATOM 549 O ARG A 32 -8.767 -8.864 2.961 1.00 64.00 O ATOM 550 CB ARG A 32 -7.661 -6.195 4.732 1.00 2.40 C ATOM 551 CG ARG A 32 -8.928 -5.628 4.054 1.00 1.30 C ATOM 552 CD ARG A 32 -9.065 -4.108 4.267 1.00 31.04 C ATOM 553 NE ARG A 32 -10.129 -3.514 3.434 1.00 0.41 N ATOM 554 CZ ARG A 32 -10.864 -2.472 3.765 1.00 70.13 C ATOM 555 NH1 ARG A 32 -10.793 -1.937 4.951 1.00 53.11 N ATOM 556 NH2 ARG A 32 -11.702 -1.993 2.910 1.00 21.34 N ATOM 0 H ARG A 32 -5.501 -7.298 5.179 1.00 61.44 H new ATOM 0 HA ARG A 32 -8.270 -8.205 5.320 1.00 73.43 H new ATOM 0 HB2 ARG A 32 -7.655 -5.869 5.772 1.00 2.40 H new ATOM 0 HB3 ARG A 32 -6.788 -5.750 4.253 1.00 2.40 H new ATOM 0 HG2 ARG A 32 -8.895 -5.843 2.986 1.00 1.30 H new ATOM 0 HG3 ARG A 32 -9.809 -6.131 4.453 1.00 1.30 H new ATOM 0 HD2 ARG A 32 -9.277 -3.909 5.318 1.00 31.04 H new ATOM 0 HD3 ARG A 32 -8.115 -3.625 4.037 1.00 31.04 H new ATOM 0 HE ARG A 32 -10.310 -3.946 2.528 1.00 0.41 H new ATOM 0 HH11 ARG A 32 -10.157 -2.325 5.648 1.00 53.11 H new ATOM 0 HH12 ARG A 32 -11.373 -1.130 5.182 1.00 53.11 H new ATOM 0 HH21 ARG A 32 -11.791 -2.421 1.988 1.00 21.34 H new ATOM 0 HH22 ARG A 32 -12.276 -1.187 3.155 1.00 21.34 H new ATOM 570 N GLY A 33 -6.664 -8.202 2.424 1.00 10.33 N ATOM 571 CA GLY A 33 -6.701 -8.713 1.038 1.00 41.40 C ATOM 572 C GLY A 33 -6.357 -7.635 -0.006 1.00 2.14 C ATOM 573 O GLY A 33 -6.668 -6.460 0.213 1.00 42.30 O ATOM 0 H GLY A 33 -5.783 -7.754 2.675 1.00 10.33 H new ATOM 0 HA2 GLY A 33 -5.999 -9.542 0.942 1.00 41.40 H new ATOM 0 HA3 GLY A 33 -7.694 -9.111 0.829 1.00 41.40 H new ATOM 577 N PRO A 34 -5.708 -7.997 -1.166 1.00 41.40 N ATOM 578 CA PRO A 34 -5.362 -7.027 -2.241 1.00 22.43 C ATOM 579 C PRO A 34 -6.609 -6.587 -3.055 1.00 54.31 C ATOM 580 O PRO A 34 -7.160 -7.368 -3.838 1.00 53.31 O ATOM 581 CB PRO A 34 -4.335 -7.803 -3.127 1.00 12.31 C ATOM 582 CG PRO A 34 -4.037 -9.078 -2.379 1.00 75.01 C ATOM 583 CD PRO A 34 -5.260 -9.360 -1.535 1.00 12.11 C ATOM 0 HA PRO A 34 -4.955 -6.097 -1.844 1.00 22.43 H new ATOM 0 HB2 PRO A 34 -4.749 -8.014 -4.113 1.00 12.31 H new ATOM 0 HB3 PRO A 34 -3.429 -7.218 -3.281 1.00 12.31 H new ATOM 0 HG2 PRO A 34 -3.841 -9.899 -3.069 1.00 75.01 H new ATOM 0 HG3 PRO A 34 -3.150 -8.967 -1.756 1.00 75.01 H new ATOM 0 HD2 PRO A 34 -6.023 -9.902 -2.093 1.00 12.11 H new ATOM 0 HD3 PRO A 34 -5.019 -9.961 -0.658 1.00 12.11 H new ATOM 591 N SER A 35 -7.049 -5.335 -2.842 1.00 12.53 N ATOM 592 CA SER A 35 -8.243 -4.760 -3.518 1.00 54.20 C ATOM 593 C SER A 35 -8.163 -3.225 -3.556 1.00 4.51 C ATOM 594 O SER A 35 -7.573 -2.623 -2.663 1.00 53.12 O ATOM 595 CB SER A 35 -9.540 -5.181 -2.779 1.00 12.03 C ATOM 596 OG SER A 35 -10.701 -4.637 -3.396 1.00 40.15 O ATOM 0 H SER A 35 -6.593 -4.688 -2.199 1.00 12.53 H new ATOM 0 HA SER A 35 -8.264 -5.143 -4.538 1.00 54.20 H new ATOM 0 HB2 SER A 35 -9.613 -6.268 -2.763 1.00 12.03 H new ATOM 0 HB3 SER A 35 -9.491 -4.850 -1.742 1.00 12.03 H new ATOM 0 HG SER A 35 -11.498 -4.925 -2.904 1.00 40.15 H new ATOM 602 N SER A 36 -8.777 -2.596 -4.575 1.00 45.23 N ATOM 603 CA SER A 36 -8.866 -1.112 -4.675 1.00 23.00 C ATOM 604 C SER A 36 -9.700 -0.518 -3.512 1.00 74.44 C ATOM 605 O SER A 36 -9.472 0.619 -3.085 1.00 34.12 O ATOM 606 CB SER A 36 -9.461 -0.700 -6.040 1.00 75.43 C ATOM 607 OG SER A 36 -10.737 -1.292 -6.247 1.00 12.24 O ATOM 0 H SER A 36 -9.224 -3.088 -5.349 1.00 45.23 H new ATOM 0 HA SER A 36 -7.857 -0.708 -4.598 1.00 23.00 H new ATOM 0 HB2 SER A 36 -9.549 0.385 -6.088 1.00 75.43 H new ATOM 0 HB3 SER A 36 -8.784 -1.001 -6.840 1.00 75.43 H new ATOM 0 HG SER A 36 -11.090 -1.012 -7.117 1.00 12.24 H new ATOM 613 N LYS A 37 -10.642 -1.328 -2.991 1.00 72.25 N ATOM 614 CA LYS A 37 -11.477 -0.980 -1.814 1.00 21.25 C ATOM 615 C LYS A 37 -10.632 -1.037 -0.503 1.00 73.14 C ATOM 616 O LYS A 37 -10.972 -0.406 0.505 1.00 2.30 O ATOM 617 CB LYS A 37 -12.699 -1.954 -1.757 1.00 13.42 C ATOM 618 CG LYS A 37 -13.968 -1.389 -1.072 1.00 5.31 C ATOM 619 CD LYS A 37 -15.189 -2.339 -1.230 1.00 1.32 C ATOM 620 CE LYS A 37 -16.537 -1.681 -0.865 1.00 22.21 C ATOM 621 NZ LYS A 37 -16.622 -1.289 0.567 1.00 2.10 N ATOM 0 H LYS A 37 -10.850 -2.250 -3.375 1.00 72.25 H new ATOM 0 HA LYS A 37 -11.845 0.041 -1.909 1.00 21.25 H new ATOM 0 HB2 LYS A 37 -12.956 -2.247 -2.775 1.00 13.42 H new ATOM 0 HB3 LYS A 37 -12.396 -2.860 -1.232 1.00 13.42 H new ATOM 0 HG2 LYS A 37 -13.767 -1.230 -0.012 1.00 5.31 H new ATOM 0 HG3 LYS A 37 -14.208 -0.416 -1.500 1.00 5.31 H new ATOM 0 HD2 LYS A 37 -15.234 -2.691 -2.261 1.00 1.32 H new ATOM 0 HD3 LYS A 37 -15.040 -3.216 -0.600 1.00 1.32 H new ATOM 0 HE2 LYS A 37 -16.685 -0.798 -1.487 1.00 22.21 H new ATOM 0 HE3 LYS A 37 -17.347 -2.373 -1.096 1.00 22.21 H new ATOM 0 HZ1 LYS A 37 -17.548 -0.853 0.753 1.00 2.10 H new ATOM 0 HZ2 LYS A 37 -16.510 -2.132 1.165 1.00 2.10 H new ATOM 0 HZ3 LYS A 37 -15.868 -0.607 0.786 1.00 2.10 H new ATOM 635 N THR A 38 -9.511 -1.789 -0.554 1.00 65.11 N ATOM 636 CA THR A 38 -8.508 -1.871 0.537 1.00 63.34 C ATOM 637 C THR A 38 -7.470 -0.735 0.388 1.00 70.32 C ATOM 638 O THR A 38 -6.988 -0.197 1.376 1.00 54.41 O ATOM 639 CB THR A 38 -7.773 -3.264 0.529 1.00 74.44 C ATOM 640 OG1 THR A 38 -8.727 -4.312 0.774 1.00 14.13 O ATOM 641 CG2 THR A 38 -6.629 -3.360 1.565 1.00 41.44 C ATOM 0 H THR A 38 -9.272 -2.364 -1.362 1.00 65.11 H new ATOM 0 HA THR A 38 -9.033 -1.764 1.486 1.00 63.34 H new ATOM 0 HB THR A 38 -7.319 -3.373 -0.456 1.00 74.44 H new ATOM 0 HG1 THR A 38 -8.299 -5.183 0.636 1.00 14.13 H new ATOM 0 HG21 THR A 38 -6.166 -4.345 1.506 1.00 41.44 H new ATOM 0 HG22 THR A 38 -5.882 -2.595 1.354 1.00 41.44 H new ATOM 0 HG23 THR A 38 -7.031 -3.208 2.567 1.00 41.44 H new ATOM 649 N PHE A 39 -7.154 -0.376 -0.870 1.00 21.50 N ATOM 650 CA PHE A 39 -6.177 0.691 -1.194 1.00 43.41 C ATOM 651 C PHE A 39 -6.728 2.094 -0.862 1.00 23.21 C ATOM 652 O PHE A 39 -5.963 3.019 -0.576 1.00 24.53 O ATOM 653 CB PHE A 39 -5.747 0.598 -2.683 1.00 63.42 C ATOM 654 CG PHE A 39 -5.077 -0.727 -3.075 1.00 75.12 C ATOM 655 CD1 PHE A 39 -4.272 -1.424 -2.171 1.00 14.32 C ATOM 656 CD2 PHE A 39 -5.263 -1.284 -4.340 1.00 44.23 C ATOM 657 CE1 PHE A 39 -3.685 -2.625 -2.517 1.00 3.14 C ATOM 658 CE2 PHE A 39 -4.669 -2.484 -4.684 1.00 22.33 C ATOM 659 CZ PHE A 39 -3.887 -3.155 -3.772 1.00 4.25 C ATOM 0 H PHE A 39 -7.566 -0.815 -1.693 1.00 21.50 H new ATOM 0 HA PHE A 39 -5.298 0.537 -0.569 1.00 43.41 H new ATOM 0 HB2 PHE A 39 -6.626 0.745 -3.311 1.00 63.42 H new ATOM 0 HB3 PHE A 39 -5.060 1.416 -2.900 1.00 63.42 H new ATOM 0 HD1 PHE A 39 -4.106 -1.017 -1.185 1.00 14.32 H new ATOM 0 HD2 PHE A 39 -5.880 -0.770 -5.062 1.00 44.23 H new ATOM 0 HE1 PHE A 39 -3.067 -3.149 -1.803 1.00 3.14 H new ATOM 0 HE2 PHE A 39 -4.819 -2.896 -5.671 1.00 22.33 H new ATOM 0 HZ PHE A 39 -3.432 -4.097 -4.040 1.00 4.25 H new ATOM 669 N ALA A 40 -8.064 2.244 -0.919 1.00 63.01 N ATOM 670 CA ALA A 40 -8.767 3.456 -0.436 1.00 55.40 C ATOM 671 C ALA A 40 -8.675 3.588 1.110 1.00 12.54 C ATOM 672 O ALA A 40 -8.633 4.696 1.658 1.00 55.21 O ATOM 673 CB ALA A 40 -10.230 3.422 -0.898 1.00 22.15 C ATOM 0 H ALA A 40 -8.689 1.533 -1.299 1.00 63.01 H new ATOM 0 HA ALA A 40 -8.280 4.333 -0.863 1.00 55.40 H new ATOM 0 HB1 ALA A 40 -10.745 4.314 -0.542 1.00 22.15 H new ATOM 0 HB2 ALA A 40 -10.267 3.392 -1.987 1.00 22.15 H new ATOM 0 HB3 ALA A 40 -10.719 2.535 -0.494 1.00 22.15 H new ATOM 679 N TYR A 41 -8.642 2.434 1.796 1.00 63.13 N ATOM 680 CA TYR A 41 -8.458 2.358 3.264 1.00 61.34 C ATOM 681 C TYR A 41 -6.973 2.612 3.662 1.00 32.00 C ATOM 682 O TYR A 41 -6.686 3.257 4.679 1.00 24.30 O ATOM 683 CB TYR A 41 -8.953 0.976 3.770 1.00 14.55 C ATOM 684 CG TYR A 41 -8.708 0.723 5.264 1.00 22.14 C ATOM 685 CD1 TYR A 41 -9.305 1.529 6.240 1.00 1.31 C ATOM 686 CD2 TYR A 41 -7.862 -0.304 5.694 1.00 51.42 C ATOM 687 CE1 TYR A 41 -9.059 1.323 7.582 1.00 23.12 C ATOM 688 CE2 TYR A 41 -7.624 -0.513 7.030 1.00 30.42 C ATOM 689 CZ TYR A 41 -8.216 0.301 7.973 1.00 31.32 C ATOM 690 OH TYR A 41 -7.960 0.092 9.310 1.00 14.13 O ATOM 0 H TYR A 41 -8.742 1.522 1.351 1.00 63.13 H new ATOM 0 HA TYR A 41 -9.049 3.141 3.739 1.00 61.34 H new ATOM 0 HB2 TYR A 41 -10.021 0.891 3.570 1.00 14.55 H new ATOM 0 HB3 TYR A 41 -8.457 0.193 3.195 1.00 14.55 H new ATOM 0 HD1 TYR A 41 -9.969 2.325 5.938 1.00 1.31 H new ATOM 0 HD2 TYR A 41 -7.388 -0.943 4.964 1.00 51.42 H new ATOM 0 HE1 TYR A 41 -9.523 1.957 8.323 1.00 23.12 H new ATOM 0 HE2 TYR A 41 -6.973 -1.316 7.343 1.00 30.42 H new ATOM 0 HH TYR A 41 -7.348 -0.667 9.411 1.00 14.13 H new ATOM 700 N LEU A 42 -6.045 2.086 2.848 1.00 55.24 N ATOM 701 CA LEU A 42 -4.588 2.338 2.979 1.00 62.41 C ATOM 702 C LEU A 42 -4.247 3.815 2.688 1.00 22.41 C ATOM 703 O LEU A 42 -3.288 4.355 3.230 1.00 34.42 O ATOM 704 CB LEU A 42 -3.810 1.386 2.038 1.00 4.44 C ATOM 705 CG LEU A 42 -3.764 -0.109 2.494 1.00 55.42 C ATOM 706 CD1 LEU A 42 -3.261 -1.043 1.371 1.00 75.42 C ATOM 707 CD2 LEU A 42 -2.896 -0.253 3.760 1.00 0.33 C ATOM 0 H LEU A 42 -6.279 1.468 2.071 1.00 55.24 H new ATOM 0 HA LEU A 42 -4.288 2.138 4.008 1.00 62.41 H new ATOM 0 HB2 LEU A 42 -4.260 1.433 1.046 1.00 4.44 H new ATOM 0 HB3 LEU A 42 -2.788 1.752 1.942 1.00 4.44 H new ATOM 0 HG LEU A 42 -4.784 -0.415 2.728 1.00 55.42 H new ATOM 0 HD11 LEU A 42 -3.245 -2.071 1.733 1.00 75.42 H new ATOM 0 HD12 LEU A 42 -3.928 -0.971 0.512 1.00 75.42 H new ATOM 0 HD13 LEU A 42 -2.254 -0.747 1.075 1.00 75.42 H new ATOM 0 HD21 LEU A 42 -2.872 -1.298 4.068 1.00 0.33 H new ATOM 0 HD22 LEU A 42 -1.882 0.086 3.547 1.00 0.33 H new ATOM 0 HD23 LEU A 42 -3.319 0.351 4.562 1.00 0.33 H new ATOM 719 N ALA A 43 -5.056 4.450 1.831 1.00 13.13 N ATOM 720 CA ALA A 43 -4.991 5.901 1.582 1.00 14.43 C ATOM 721 C ALA A 43 -5.358 6.704 2.853 1.00 3.34 C ATOM 722 O ALA A 43 -4.672 7.667 3.214 1.00 43.15 O ATOM 723 CB ALA A 43 -5.933 6.268 0.428 1.00 63.11 C ATOM 0 H ALA A 43 -5.776 3.974 1.288 1.00 13.13 H new ATOM 0 HA ALA A 43 -3.968 6.160 1.310 1.00 14.43 H new ATOM 0 HB1 ALA A 43 -5.884 7.341 0.245 1.00 63.11 H new ATOM 0 HB2 ALA A 43 -5.631 5.732 -0.472 1.00 63.11 H new ATOM 0 HB3 ALA A 43 -6.954 5.991 0.690 1.00 63.11 H new ATOM 729 N ALA A 44 -6.443 6.270 3.525 1.00 62.32 N ATOM 730 CA ALA A 44 -6.951 6.906 4.762 1.00 51.23 C ATOM 731 C ALA A 44 -5.904 6.895 5.913 1.00 1.25 C ATOM 732 O ALA A 44 -5.575 7.945 6.479 1.00 73.22 O ATOM 733 CB ALA A 44 -8.246 6.202 5.209 1.00 62.44 C ATOM 0 H ALA A 44 -6.995 5.466 3.226 1.00 62.32 H new ATOM 0 HA ALA A 44 -7.156 7.952 4.534 1.00 51.23 H new ATOM 0 HB1 ALA A 44 -8.619 6.671 6.120 1.00 62.44 H new ATOM 0 HB2 ALA A 44 -8.996 6.287 4.423 1.00 62.44 H new ATOM 0 HB3 ALA A 44 -8.040 5.149 5.401 1.00 62.44 H new ATOM 739 N LYS A 45 -5.375 5.696 6.229 1.00 10.24 N ATOM 740 CA LYS A 45 -4.430 5.498 7.362 1.00 4.15 C ATOM 741 C LYS A 45 -3.024 6.116 7.094 1.00 43.45 C ATOM 742 O LYS A 45 -2.415 6.703 7.993 1.00 44.14 O ATOM 743 CB LYS A 45 -4.295 3.984 7.695 1.00 54.15 C ATOM 744 CG LYS A 45 -3.803 3.107 6.528 1.00 45.12 C ATOM 745 CD LYS A 45 -3.324 1.692 6.943 1.00 14.13 C ATOM 746 CE LYS A 45 -4.437 0.738 7.413 1.00 5.22 C ATOM 747 NZ LYS A 45 -4.929 1.019 8.790 1.00 13.24 N ATOM 0 H LYS A 45 -5.584 4.840 5.715 1.00 10.24 H new ATOM 0 HA LYS A 45 -4.851 6.026 8.218 1.00 4.15 H new ATOM 0 HB2 LYS A 45 -3.606 3.871 8.532 1.00 54.15 H new ATOM 0 HB3 LYS A 45 -5.264 3.612 8.027 1.00 54.15 H new ATOM 0 HG2 LYS A 45 -4.610 3.005 5.802 1.00 45.12 H new ATOM 0 HG3 LYS A 45 -2.984 3.621 6.025 1.00 45.12 H new ATOM 0 HD2 LYS A 45 -2.810 1.237 6.097 1.00 14.13 H new ATOM 0 HD3 LYS A 45 -2.592 1.794 7.744 1.00 14.13 H new ATOM 0 HE2 LYS A 45 -5.274 0.802 6.718 1.00 5.22 H new ATOM 0 HE3 LYS A 45 -4.066 -0.286 7.372 1.00 5.22 H new ATOM 0 HZ1 LYS A 45 -4.805 0.173 9.382 1.00 13.24 H new ATOM 0 HZ2 LYS A 45 -4.389 1.809 9.197 1.00 13.24 H new ATOM 0 HZ3 LYS A 45 -5.937 1.271 8.754 1.00 13.24 H new ATOM 761 N LEU A 46 -2.522 5.973 5.850 1.00 72.23 N ATOM 762 CA LEU A 46 -1.144 6.405 5.474 1.00 51.34 C ATOM 763 C LEU A 46 -1.096 7.849 4.904 1.00 24.31 C ATOM 764 O LEU A 46 -0.076 8.240 4.328 1.00 21.04 O ATOM 765 CB LEU A 46 -0.560 5.408 4.431 1.00 21.42 C ATOM 766 CG LEU A 46 -0.486 3.909 4.874 1.00 4.04 C ATOM 767 CD1 LEU A 46 0.010 3.009 3.722 1.00 74.43 C ATOM 768 CD2 LEU A 46 0.381 3.741 6.144 1.00 62.33 C ATOM 0 H LEU A 46 -3.048 5.560 5.079 1.00 72.23 H new ATOM 0 HA LEU A 46 -0.544 6.405 6.384 1.00 51.34 H new ATOM 0 HB2 LEU A 46 -1.163 5.468 3.525 1.00 21.42 H new ATOM 0 HB3 LEU A 46 0.445 5.737 4.168 1.00 21.42 H new ATOM 0 HG LEU A 46 -1.496 3.587 5.126 1.00 4.04 H new ATOM 0 HD11 LEU A 46 0.051 1.974 4.061 1.00 74.43 H new ATOM 0 HD12 LEU A 46 -0.675 3.088 2.878 1.00 74.43 H new ATOM 0 HD13 LEU A 46 1.005 3.329 3.413 1.00 74.43 H new ATOM 0 HD21 LEU A 46 0.413 2.689 6.426 1.00 62.33 H new ATOM 0 HD22 LEU A 46 1.393 4.093 5.943 1.00 62.33 H new ATOM 0 HD23 LEU A 46 -0.051 4.322 6.959 1.00 62.33 H new ATOM 780 N ASP A 47 -2.198 8.621 5.090 1.00 24.10 N ATOM 781 CA ASP A 47 -2.400 10.013 4.560 1.00 24.41 C ATOM 782 C ASP A 47 -2.129 10.171 3.027 1.00 21.54 C ATOM 783 O ASP A 47 -1.918 11.284 2.528 1.00 23.24 O ATOM 784 CB ASP A 47 -1.641 11.094 5.415 1.00 41.30 C ATOM 785 CG ASP A 47 -0.095 11.019 5.401 1.00 13.01 C ATOM 786 OD1 ASP A 47 0.531 11.455 4.403 1.00 5.23 O ATOM 787 OD2 ASP A 47 0.503 10.510 6.376 1.00 13.51 O ATOM 0 H ASP A 47 -2.999 8.291 5.628 1.00 24.10 H new ATOM 0 HA ASP A 47 -3.468 10.200 4.673 1.00 24.41 H new ATOM 0 HB2 ASP A 47 -1.939 12.081 5.061 1.00 41.30 H new ATOM 0 HB3 ASP A 47 -1.978 11.011 6.448 1.00 41.30 H new ATOM 792 N LYS A 48 -2.213 9.049 2.279 1.00 1.14 N ATOM 793 CA LYS A 48 -1.978 9.010 0.807 1.00 73.42 C ATOM 794 C LYS A 48 -3.318 8.960 0.025 1.00 31.42 C ATOM 795 O LYS A 48 -4.380 9.237 0.583 1.00 64.43 O ATOM 796 CB LYS A 48 -1.083 7.788 0.452 1.00 51.54 C ATOM 797 CG LYS A 48 0.277 7.733 1.194 1.00 30.31 C ATOM 798 CD LYS A 48 1.191 8.948 0.897 1.00 1.33 C ATOM 799 CE LYS A 48 2.533 8.873 1.652 1.00 32.01 C ATOM 800 NZ LYS A 48 2.354 8.893 3.138 1.00 42.24 N ATOM 0 H LYS A 48 -2.446 8.138 2.675 1.00 1.14 H new ATOM 0 HA LYS A 48 -1.463 9.924 0.512 1.00 73.42 H new ATOM 0 HB2 LYS A 48 -1.637 6.875 0.672 1.00 51.54 H new ATOM 0 HB3 LYS A 48 -0.894 7.795 -0.621 1.00 51.54 H new ATOM 0 HG2 LYS A 48 0.095 7.679 2.267 1.00 30.31 H new ATOM 0 HG3 LYS A 48 0.799 6.818 0.913 1.00 30.31 H new ATOM 0 HD2 LYS A 48 1.383 9.001 -0.175 1.00 1.33 H new ATOM 0 HD3 LYS A 48 0.672 9.866 1.174 1.00 1.33 H new ATOM 0 HE2 LYS A 48 3.058 7.962 1.364 1.00 32.01 H new ATOM 0 HE3 LYS A 48 3.162 9.712 1.353 1.00 32.01 H new ATOM 0 HZ1 LYS A 48 2.904 9.677 3.543 1.00 42.24 H new ATOM 0 HZ2 LYS A 48 1.347 9.023 3.365 1.00 42.24 H new ATOM 0 HZ3 LYS A 48 2.686 7.993 3.540 1.00 42.24 H new ATOM 814 N ASN A 49 -3.259 8.638 -1.288 1.00 10.52 N ATOM 815 CA ASN A 49 -4.457 8.566 -2.164 1.00 12.25 C ATOM 816 C ASN A 49 -4.505 7.189 -2.903 1.00 12.41 C ATOM 817 O ASN A 49 -3.454 6.643 -3.230 1.00 65.34 O ATOM 818 CB ASN A 49 -4.443 9.752 -3.164 1.00 13.11 C ATOM 819 CG ASN A 49 -4.290 11.110 -2.472 1.00 12.41 C ATOM 820 OD1 ASN A 49 -3.190 11.636 -2.325 1.00 3.53 O ATOM 821 ND2 ASN A 49 -5.380 11.669 -1.995 1.00 75.12 N ATOM 0 H ASN A 49 -2.386 8.422 -1.770 1.00 10.52 H new ATOM 0 HA ASN A 49 -5.359 8.644 -1.557 1.00 12.25 H new ATOM 0 HB2 ASN A 49 -3.625 9.615 -3.871 1.00 13.11 H new ATOM 0 HB3 ASN A 49 -5.368 9.746 -3.741 1.00 13.11 H new ATOM 0 HD21 ASN A 49 -5.321 12.555 -1.493 1.00 75.12 H new ATOM 0 HD22 ASN A 49 -6.285 11.217 -2.127 1.00 75.12 H new ATOM 828 N PRO A 50 -5.736 6.609 -3.180 1.00 41.32 N ATOM 829 CA PRO A 50 -5.909 5.206 -3.705 1.00 34.44 C ATOM 830 C PRO A 50 -5.085 4.855 -4.977 1.00 5.24 C ATOM 831 O PRO A 50 -4.576 3.731 -5.096 1.00 44.31 O ATOM 832 CB PRO A 50 -7.427 5.124 -3.997 1.00 74.20 C ATOM 833 CG PRO A 50 -8.043 6.131 -3.072 1.00 74.31 C ATOM 834 CD PRO A 50 -7.060 7.272 -2.996 1.00 35.43 C ATOM 0 HA PRO A 50 -5.537 4.485 -2.977 1.00 34.44 H new ATOM 0 HB2 PRO A 50 -7.644 5.358 -5.039 1.00 74.20 H new ATOM 0 HB3 PRO A 50 -7.814 4.123 -3.808 1.00 74.20 H new ATOM 0 HG2 PRO A 50 -9.008 6.470 -3.449 1.00 74.31 H new ATOM 0 HG3 PRO A 50 -8.220 5.700 -2.086 1.00 74.31 H new ATOM 0 HD2 PRO A 50 -7.247 8.015 -3.771 1.00 35.43 H new ATOM 0 HD3 PRO A 50 -7.120 7.789 -2.038 1.00 35.43 H new ATOM 842 N ASN A 51 -4.976 5.818 -5.915 1.00 51.12 N ATOM 843 CA ASN A 51 -4.177 5.657 -7.167 1.00 62.04 C ATOM 844 C ASN A 51 -2.689 5.366 -6.835 1.00 34.02 C ATOM 845 O ASN A 51 -2.072 4.467 -7.402 1.00 11.34 O ATOM 846 CB ASN A 51 -4.293 6.950 -8.030 1.00 12.04 C ATOM 847 CG ASN A 51 -3.797 6.821 -9.486 1.00 12.42 C ATOM 848 OD1 ASN A 51 -2.942 6.003 -9.818 1.00 52.43 O ATOM 849 ND2 ASN A 51 -4.310 7.664 -10.369 1.00 53.51 N ATOM 0 H ASN A 51 -5.433 6.727 -5.836 1.00 51.12 H new ATOM 0 HA ASN A 51 -4.571 4.811 -7.730 1.00 62.04 H new ATOM 0 HB2 ASN A 51 -5.337 7.263 -8.046 1.00 12.04 H new ATOM 0 HB3 ASN A 51 -3.729 7.745 -7.541 1.00 12.04 H new ATOM 0 HD21 ASN A 51 -3.996 7.640 -11.339 1.00 53.51 H new ATOM 0 HD22 ASN A 51 -5.019 8.337 -10.079 1.00 53.51 H new ATOM 856 N GLN A 52 -2.156 6.135 -5.876 1.00 63.25 N ATOM 857 CA GLN A 52 -0.738 6.061 -5.448 1.00 34.35 C ATOM 858 C GLN A 52 -0.443 4.706 -4.753 1.00 54.40 C ATOM 859 O GLN A 52 0.590 4.073 -5.002 1.00 25.11 O ATOM 860 CB GLN A 52 -0.435 7.234 -4.470 1.00 23.11 C ATOM 861 CG GLN A 52 -1.045 8.585 -4.898 1.00 41.23 C ATOM 862 CD GLN A 52 -0.889 9.693 -3.855 1.00 71.13 C ATOM 863 OE1 GLN A 52 -0.760 9.434 -2.661 1.00 44.02 O ATOM 864 NE2 GLN A 52 -0.970 10.936 -4.287 1.00 24.15 N ATOM 0 H GLN A 52 -2.695 6.835 -5.366 1.00 63.25 H new ATOM 0 HA GLN A 52 -0.100 6.140 -6.328 1.00 34.35 H new ATOM 0 HB2 GLN A 52 -0.812 6.975 -3.481 1.00 23.11 H new ATOM 0 HB3 GLN A 52 0.645 7.348 -4.380 1.00 23.11 H new ATOM 0 HG2 GLN A 52 -0.576 8.906 -5.828 1.00 41.23 H new ATOM 0 HG3 GLN A 52 -2.105 8.444 -5.108 1.00 41.23 H new ATOM 0 HE21 GLN A 52 -1.077 11.124 -5.284 1.00 24.15 H new ATOM 0 HE22 GLN A 52 -0.926 11.710 -3.624 1.00 24.15 H new ATOM 873 N VAL A 53 -1.385 4.291 -3.885 1.00 30.20 N ATOM 874 CA VAL A 53 -1.291 3.039 -3.097 1.00 75.40 C ATOM 875 C VAL A 53 -1.319 1.782 -4.008 1.00 20.13 C ATOM 876 O VAL A 53 -0.513 0.860 -3.835 1.00 35.41 O ATOM 877 CB VAL A 53 -2.463 2.937 -2.049 1.00 62.44 C ATOM 878 CG1 VAL A 53 -2.331 1.658 -1.192 1.00 32.43 C ATOM 879 CG2 VAL A 53 -2.543 4.195 -1.148 1.00 1.23 C ATOM 0 H VAL A 53 -2.241 4.817 -3.707 1.00 30.20 H new ATOM 0 HA VAL A 53 -0.336 3.073 -2.573 1.00 75.40 H new ATOM 0 HB VAL A 53 -3.394 2.878 -2.613 1.00 62.44 H new ATOM 0 HG11 VAL A 53 -3.153 1.613 -0.477 1.00 32.43 H new ATOM 0 HG12 VAL A 53 -2.364 0.781 -1.839 1.00 32.43 H new ATOM 0 HG13 VAL A 53 -1.383 1.676 -0.654 1.00 32.43 H new ATOM 0 HG21 VAL A 53 -3.364 4.084 -0.440 1.00 1.23 H new ATOM 0 HG22 VAL A 53 -1.607 4.312 -0.602 1.00 1.23 H new ATOM 0 HG23 VAL A 53 -2.715 5.076 -1.767 1.00 1.23 H new ATOM 889 N SER A 54 -2.258 1.773 -4.972 1.00 70.12 N ATOM 890 CA SER A 54 -2.471 0.631 -5.900 1.00 1.05 C ATOM 891 C SER A 54 -1.247 0.397 -6.807 1.00 13.31 C ATOM 892 O SER A 54 -0.868 -0.755 -7.071 1.00 23.55 O ATOM 893 CB SER A 54 -3.731 0.870 -6.764 1.00 52.12 C ATOM 894 OG SER A 54 -3.610 2.048 -7.548 1.00 33.33 O ATOM 0 H SER A 54 -2.894 2.554 -5.135 1.00 70.12 H new ATOM 0 HA SER A 54 -2.613 -0.263 -5.293 1.00 1.05 H new ATOM 0 HB2 SER A 54 -3.893 0.012 -7.417 1.00 52.12 H new ATOM 0 HB3 SER A 54 -4.606 0.950 -6.119 1.00 52.12 H new ATOM 0 HG SER A 54 -2.990 2.669 -7.112 1.00 33.33 H new ATOM 900 N GLU A 55 -0.647 1.500 -7.284 1.00 13.53 N ATOM 901 CA GLU A 55 0.624 1.456 -8.032 1.00 24.30 C ATOM 902 C GLU A 55 1.771 0.925 -7.150 1.00 62.20 C ATOM 903 O GLU A 55 2.481 -0.010 -7.539 1.00 53.33 O ATOM 904 CB GLU A 55 0.993 2.858 -8.584 1.00 43.20 C ATOM 905 CG GLU A 55 -0.003 3.427 -9.619 1.00 54.21 C ATOM 906 CD GLU A 55 -0.217 2.519 -10.847 1.00 45.44 C ATOM 907 OE1 GLU A 55 0.783 2.090 -11.467 1.00 50.10 O ATOM 908 OE2 GLU A 55 -1.381 2.235 -11.206 1.00 43.24 O ATOM 0 H GLU A 55 -1.024 2.440 -7.164 1.00 13.53 H new ATOM 0 HA GLU A 55 0.484 0.773 -8.870 1.00 24.30 H new ATOM 0 HB2 GLU A 55 1.066 3.555 -7.749 1.00 43.20 H new ATOM 0 HB3 GLU A 55 1.981 2.805 -9.042 1.00 43.20 H new ATOM 0 HG2 GLU A 55 -0.963 3.593 -9.131 1.00 54.21 H new ATOM 0 HG3 GLU A 55 0.355 4.399 -9.957 1.00 54.21 H new ATOM 915 N ARG A 56 1.899 1.506 -5.937 1.00 11.33 N ATOM 916 CA ARG A 56 3.019 1.212 -5.014 1.00 70.11 C ATOM 917 C ARG A 56 3.044 -0.281 -4.612 1.00 52.22 C ATOM 918 O ARG A 56 4.110 -0.870 -4.520 1.00 3.54 O ATOM 919 CB ARG A 56 2.957 2.121 -3.741 1.00 74.23 C ATOM 920 CG ARG A 56 4.344 2.393 -3.100 1.00 60.22 C ATOM 921 CD ARG A 56 5.244 3.221 -4.047 1.00 1.31 C ATOM 922 NE ARG A 56 6.649 3.334 -3.602 1.00 72.13 N ATOM 923 CZ ARG A 56 7.679 2.709 -4.155 1.00 55.14 C ATOM 924 NH1 ARG A 56 7.509 1.756 -5.027 1.00 65.45 N ATOM 925 NH2 ARG A 56 8.884 3.054 -3.840 1.00 14.00 N ATOM 0 H ARG A 56 1.234 2.188 -5.571 1.00 11.33 H new ATOM 0 HA ARG A 56 3.944 1.433 -5.547 1.00 70.11 H new ATOM 0 HB2 ARG A 56 2.497 3.073 -4.007 1.00 74.23 H new ATOM 0 HB3 ARG A 56 2.310 1.650 -3.000 1.00 74.23 H new ATOM 0 HG2 ARG A 56 4.214 2.926 -2.158 1.00 60.22 H new ATOM 0 HG3 ARG A 56 4.831 1.447 -2.866 1.00 60.22 H new ATOM 0 HD2 ARG A 56 5.224 2.768 -5.038 1.00 1.31 H new ATOM 0 HD3 ARG A 56 4.824 4.222 -4.146 1.00 1.31 H new ATOM 0 HE ARG A 56 6.841 3.942 -2.806 1.00 72.13 H new ATOM 0 HH11 ARG A 56 6.567 1.475 -5.299 1.00 65.45 H new ATOM 0 HH12 ARG A 56 8.318 1.291 -5.438 1.00 65.45 H new ATOM 0 HH21 ARG A 56 9.040 3.805 -3.168 1.00 14.00 H new ATOM 0 HH22 ARG A 56 9.679 2.575 -4.264 1.00 14.00 H new ATOM 939 N PHE A 57 1.847 -0.868 -4.426 1.00 70.32 N ATOM 940 CA PHE A 57 1.655 -2.306 -4.102 1.00 4.41 C ATOM 941 C PHE A 57 2.374 -3.252 -5.103 1.00 61.44 C ATOM 942 O PHE A 57 3.153 -4.129 -4.704 1.00 62.02 O ATOM 943 CB PHE A 57 0.129 -2.626 -4.066 1.00 62.21 C ATOM 944 CG PHE A 57 -0.221 -4.119 -4.005 1.00 31.23 C ATOM 945 CD1 PHE A 57 0.218 -4.916 -2.952 1.00 53.53 C ATOM 946 CD2 PHE A 57 -0.978 -4.727 -5.009 1.00 11.41 C ATOM 947 CE1 PHE A 57 -0.082 -6.266 -2.900 1.00 51.44 C ATOM 948 CE2 PHE A 57 -1.281 -6.074 -4.956 1.00 44.34 C ATOM 949 CZ PHE A 57 -0.831 -6.845 -3.901 1.00 4.22 C ATOM 0 H PHE A 57 0.969 -0.354 -4.496 1.00 70.32 H new ATOM 0 HA PHE A 57 2.105 -2.484 -3.125 1.00 4.41 H new ATOM 0 HB2 PHE A 57 -0.310 -2.130 -3.201 1.00 62.21 H new ATOM 0 HB3 PHE A 57 -0.338 -2.195 -4.952 1.00 62.21 H new ATOM 0 HD1 PHE A 57 0.804 -4.473 -2.160 1.00 53.53 H new ATOM 0 HD2 PHE A 57 -1.332 -4.135 -5.840 1.00 11.41 H new ATOM 0 HE1 PHE A 57 0.271 -6.866 -2.074 1.00 51.44 H new ATOM 0 HE2 PHE A 57 -1.871 -6.525 -5.740 1.00 44.34 H new ATOM 0 HZ PHE A 57 -1.066 -7.898 -3.861 1.00 4.22 H new ATOM 959 N GLN A 58 2.092 -3.065 -6.398 1.00 52.54 N ATOM 960 CA GLN A 58 2.616 -3.944 -7.472 1.00 13.15 C ATOM 961 C GLN A 58 4.122 -3.695 -7.742 1.00 4.20 C ATOM 962 O GLN A 58 4.829 -4.578 -8.251 1.00 0.13 O ATOM 963 CB GLN A 58 1.770 -3.766 -8.752 1.00 62.32 C ATOM 964 CG GLN A 58 0.257 -3.971 -8.520 1.00 34.11 C ATOM 965 CD GLN A 58 -0.561 -3.940 -9.812 1.00 22.25 C ATOM 966 OE1 GLN A 58 -0.809 -4.968 -10.433 1.00 34.20 O ATOM 967 NE2 GLN A 58 -0.972 -2.762 -10.236 1.00 40.51 N ATOM 0 H GLN A 58 1.499 -2.308 -6.738 1.00 52.54 H new ATOM 0 HA GLN A 58 2.532 -4.979 -7.140 1.00 13.15 H new ATOM 0 HB2 GLN A 58 1.936 -2.766 -9.153 1.00 62.32 H new ATOM 0 HB3 GLN A 58 2.113 -4.473 -9.507 1.00 62.32 H new ATOM 0 HG2 GLN A 58 0.099 -4.927 -8.021 1.00 34.11 H new ATOM 0 HG3 GLN A 58 -0.109 -3.195 -7.847 1.00 34.11 H new ATOM 0 HE21 GLN A 58 -0.752 -1.922 -9.701 1.00 40.51 H new ATOM 0 HE22 GLN A 58 -1.510 -2.690 -11.100 1.00 40.51 H new ATOM 976 N GLN A 59 4.592 -2.477 -7.407 1.00 21.22 N ATOM 977 CA GLN A 59 6.034 -2.139 -7.403 1.00 33.15 C ATOM 978 C GLN A 59 6.743 -2.878 -6.240 1.00 51.31 C ATOM 979 O GLN A 59 7.822 -3.440 -6.407 1.00 35.41 O ATOM 980 CB GLN A 59 6.233 -0.604 -7.251 1.00 21.34 C ATOM 981 CG GLN A 59 5.562 0.266 -8.340 1.00 44.32 C ATOM 982 CD GLN A 59 6.114 0.064 -9.758 1.00 20.32 C ATOM 983 OE1 GLN A 59 7.286 -0.247 -9.953 1.00 64.32 O ATOM 984 NE2 GLN A 59 5.276 0.259 -10.761 1.00 63.41 N ATOM 0 H GLN A 59 3.988 -1.702 -7.133 1.00 21.22 H new ATOM 0 HA GLN A 59 6.469 -2.455 -8.351 1.00 33.15 H new ATOM 0 HB2 GLN A 59 5.846 -0.300 -6.278 1.00 21.34 H new ATOM 0 HB3 GLN A 59 7.302 -0.392 -7.249 1.00 21.34 H new ATOM 0 HG2 GLN A 59 4.493 0.052 -8.348 1.00 44.32 H new ATOM 0 HG3 GLN A 59 5.675 1.315 -8.067 1.00 44.32 H new ATOM 0 HE21 GLN A 59 4.307 0.517 -10.573 1.00 63.41 H new ATOM 0 HE22 GLN A 59 5.598 0.152 -11.723 1.00 63.41 H new ATOM 993 N LEU A 60 6.075 -2.880 -5.076 1.00 24.24 N ATOM 994 CA LEU A 60 6.570 -3.489 -3.820 1.00 32.44 C ATOM 995 C LEU A 60 6.790 -5.007 -3.947 1.00 11.52 C ATOM 996 O LEU A 60 7.856 -5.503 -3.620 1.00 53.12 O ATOM 997 CB LEU A 60 5.567 -3.184 -2.669 1.00 45.31 C ATOM 998 CG LEU A 60 5.735 -1.799 -1.974 1.00 24.43 C ATOM 999 CD1 LEU A 60 4.494 -1.437 -1.127 1.00 5.41 C ATOM 1000 CD2 LEU A 60 7.022 -1.787 -1.120 1.00 21.42 C ATOM 0 H LEU A 60 5.155 -2.450 -4.974 1.00 24.24 H new ATOM 0 HA LEU A 60 7.542 -3.048 -3.598 1.00 32.44 H new ATOM 0 HB2 LEU A 60 4.555 -3.249 -3.068 1.00 45.31 H new ATOM 0 HB3 LEU A 60 5.663 -3.963 -1.913 1.00 45.31 H new ATOM 0 HG LEU A 60 5.827 -1.036 -2.747 1.00 24.43 H new ATOM 0 HD11 LEU A 60 4.645 -0.465 -0.657 1.00 5.41 H new ATOM 0 HD12 LEU A 60 3.614 -1.396 -1.769 1.00 5.41 H new ATOM 0 HD13 LEU A 60 4.346 -2.194 -0.357 1.00 5.41 H new ATOM 0 HD21 LEU A 60 7.130 -0.815 -0.639 1.00 21.42 H new ATOM 0 HD22 LEU A 60 6.961 -2.564 -0.358 1.00 21.42 H new ATOM 0 HD23 LEU A 60 7.885 -1.973 -1.760 1.00 21.42 H new ATOM 1012 N MET A 61 5.769 -5.731 -4.421 1.00 64.34 N ATOM 1013 CA MET A 61 5.842 -7.204 -4.598 1.00 71.42 C ATOM 1014 C MET A 61 6.936 -7.620 -5.619 1.00 50.12 C ATOM 1015 O MET A 61 7.523 -8.706 -5.514 1.00 73.44 O ATOM 1016 CB MET A 61 4.450 -7.743 -5.014 1.00 42.34 C ATOM 1017 CG MET A 61 3.350 -7.635 -3.928 1.00 71.43 C ATOM 1018 SD MET A 61 3.330 -9.023 -2.747 1.00 70.31 S ATOM 1019 CE MET A 61 4.739 -8.732 -1.665 1.00 3.44 C ATOM 0 H MET A 61 4.873 -5.326 -4.693 1.00 64.34 H new ATOM 0 HA MET A 61 6.129 -7.648 -3.645 1.00 71.42 H new ATOM 0 HB2 MET A 61 4.118 -7.201 -5.900 1.00 42.34 H new ATOM 0 HB3 MET A 61 4.554 -8.790 -5.301 1.00 42.34 H new ATOM 0 HG2 MET A 61 3.489 -6.705 -3.377 1.00 71.43 H new ATOM 0 HG3 MET A 61 2.377 -7.574 -4.416 1.00 71.43 H new ATOM 0 HE1 MET A 61 4.489 -9.043 -0.651 1.00 3.44 H new ATOM 0 HE2 MET A 61 5.595 -9.306 -2.020 1.00 3.44 H new ATOM 0 HE3 MET A 61 4.987 -7.671 -1.668 1.00 3.44 H new ATOM 1029 N LYS A 62 7.198 -6.737 -6.589 1.00 22.12 N ATOM 1030 CA LYS A 62 8.238 -6.933 -7.624 1.00 21.42 C ATOM 1031 C LYS A 62 9.674 -6.716 -7.055 1.00 63.53 C ATOM 1032 O LYS A 62 10.580 -7.523 -7.299 1.00 75.23 O ATOM 1033 CB LYS A 62 7.948 -5.964 -8.798 1.00 3.23 C ATOM 1034 CG LYS A 62 8.797 -6.184 -10.069 1.00 54.25 C ATOM 1035 CD LYS A 62 8.375 -5.269 -11.257 1.00 61.34 C ATOM 1036 CE LYS A 62 7.006 -5.635 -11.895 1.00 72.41 C ATOM 1037 NZ LYS A 62 5.830 -5.370 -11.014 1.00 50.23 N ATOM 0 H LYS A 62 6.693 -5.856 -6.685 1.00 22.12 H new ATOM 0 HA LYS A 62 8.202 -7.964 -7.976 1.00 21.42 H new ATOM 0 HB2 LYS A 62 6.895 -6.051 -9.066 1.00 3.23 H new ATOM 0 HB3 LYS A 62 8.105 -4.943 -8.450 1.00 3.23 H new ATOM 0 HG2 LYS A 62 9.845 -6.002 -9.833 1.00 54.25 H new ATOM 0 HG3 LYS A 62 8.716 -7.227 -10.376 1.00 54.25 H new ATOM 0 HD2 LYS A 62 8.335 -4.237 -10.908 1.00 61.34 H new ATOM 0 HD3 LYS A 62 9.145 -5.316 -12.027 1.00 61.34 H new ATOM 0 HE2 LYS A 62 6.887 -5.072 -12.820 1.00 72.41 H new ATOM 0 HE3 LYS A 62 7.014 -6.691 -12.164 1.00 72.41 H new ATOM 0 HZ1 LYS A 62 5.040 -5.012 -11.588 1.00 50.23 H new ATOM 0 HZ2 LYS A 62 5.543 -6.252 -10.543 1.00 50.23 H new ATOM 0 HZ3 LYS A 62 6.086 -4.662 -10.297 1.00 50.23 H new ATOM 1051 N LEU A 63 9.864 -5.614 -6.302 1.00 44.21 N ATOM 1052 CA LEU A 63 11.184 -5.225 -5.736 1.00 44.31 C ATOM 1053 C LEU A 63 11.577 -6.070 -4.500 1.00 32.44 C ATOM 1054 O LEU A 63 12.709 -6.543 -4.399 1.00 22.10 O ATOM 1055 CB LEU A 63 11.186 -3.715 -5.375 1.00 1.21 C ATOM 1056 CG LEU A 63 10.937 -2.736 -6.573 1.00 65.23 C ATOM 1057 CD1 LEU A 63 10.872 -1.267 -6.103 1.00 11.24 C ATOM 1058 CD2 LEU A 63 11.999 -2.926 -7.683 1.00 2.21 C ATOM 0 H LEU A 63 9.113 -4.966 -6.066 1.00 44.21 H new ATOM 0 HA LEU A 63 11.931 -5.420 -6.505 1.00 44.31 H new ATOM 0 HB2 LEU A 63 10.421 -3.539 -4.619 1.00 1.21 H new ATOM 0 HB3 LEU A 63 12.146 -3.469 -4.921 1.00 1.21 H new ATOM 0 HG LEU A 63 9.965 -2.983 -6.999 1.00 65.23 H new ATOM 0 HD11 LEU A 63 10.698 -0.618 -6.961 1.00 11.24 H new ATOM 0 HD12 LEU A 63 10.058 -1.149 -5.388 1.00 11.24 H new ATOM 0 HD13 LEU A 63 11.814 -0.995 -5.627 1.00 11.24 H new ATOM 0 HD21 LEU A 63 11.799 -2.233 -8.500 1.00 2.21 H new ATOM 0 HD22 LEU A 63 12.991 -2.730 -7.275 1.00 2.21 H new ATOM 0 HD23 LEU A 63 11.956 -3.949 -8.056 1.00 2.21 H new ATOM 1070 N PHE A 64 10.628 -6.242 -3.561 1.00 52.51 N ATOM 1071 CA PHE A 64 10.839 -7.025 -2.313 1.00 61.23 C ATOM 1072 C PHE A 64 11.147 -8.518 -2.620 1.00 3.25 C ATOM 1073 O PHE A 64 11.752 -9.218 -1.800 1.00 21.33 O ATOM 1074 CB PHE A 64 9.598 -6.893 -1.385 1.00 73.42 C ATOM 1075 CG PHE A 64 9.789 -7.443 0.031 1.00 64.22 C ATOM 1076 CD1 PHE A 64 10.650 -6.806 0.925 1.00 42.50 C ATOM 1077 CD2 PHE A 64 9.129 -8.599 0.462 1.00 0.23 C ATOM 1078 CE1 PHE A 64 10.843 -7.300 2.202 1.00 34.00 C ATOM 1079 CE2 PHE A 64 9.327 -9.093 1.739 1.00 60.14 C ATOM 1080 CZ PHE A 64 10.184 -8.445 2.608 1.00 60.02 C ATOM 0 H PHE A 64 9.692 -5.845 -3.639 1.00 52.51 H new ATOM 0 HA PHE A 64 11.708 -6.616 -1.798 1.00 61.23 H new ATOM 0 HB2 PHE A 64 9.325 -5.840 -1.316 1.00 73.42 H new ATOM 0 HB3 PHE A 64 8.759 -7.410 -1.850 1.00 73.42 H new ATOM 0 HD1 PHE A 64 11.174 -5.914 0.615 1.00 42.50 H new ATOM 0 HD2 PHE A 64 8.457 -9.112 -0.210 1.00 0.23 H new ATOM 0 HE1 PHE A 64 11.509 -6.791 2.883 1.00 34.00 H new ATOM 0 HE2 PHE A 64 8.811 -9.987 2.057 1.00 60.14 H new ATOM 0 HZ PHE A 64 10.339 -8.833 3.604 1.00 60.02 H new ATOM 1090 N GLU A 65 10.726 -8.979 -3.819 1.00 61.42 N ATOM 1091 CA GLU A 65 11.067 -10.321 -4.348 1.00 42.23 C ATOM 1092 C GLU A 65 12.607 -10.519 -4.447 1.00 12.32 C ATOM 1093 O GLU A 65 13.141 -11.572 -4.059 1.00 40.01 O ATOM 1094 CB GLU A 65 10.411 -10.507 -5.745 1.00 71.42 C ATOM 1095 CG GLU A 65 10.637 -11.892 -6.397 1.00 41.03 C ATOM 1096 CD GLU A 65 10.005 -12.030 -7.800 1.00 31.44 C ATOM 1097 OE1 GLU A 65 8.767 -12.209 -7.892 1.00 20.11 O ATOM 1098 OE2 GLU A 65 10.740 -11.973 -8.808 1.00 73.23 O ATOM 0 H GLU A 65 10.140 -8.431 -4.449 1.00 61.42 H new ATOM 0 HA GLU A 65 10.682 -11.072 -3.658 1.00 42.23 H new ATOM 0 HB2 GLU A 65 9.338 -10.338 -5.651 1.00 71.42 H new ATOM 0 HB3 GLU A 65 10.797 -9.740 -6.416 1.00 71.42 H new ATOM 0 HG2 GLU A 65 11.708 -12.078 -6.471 1.00 41.03 H new ATOM 0 HG3 GLU A 65 10.224 -12.662 -5.745 1.00 41.03 H new ATOM 1105 N LYS A 66 13.302 -9.478 -4.953 1.00 33.14 N ATOM 1106 CA LYS A 66 14.766 -9.503 -5.166 1.00 44.44 C ATOM 1107 C LYS A 66 15.322 -8.079 -5.435 1.00 73.11 C ATOM 1108 O LYS A 66 16.199 -7.601 -4.700 1.00 61.21 O ATOM 1109 CB LYS A 66 15.124 -10.445 -6.354 1.00 22.30 C ATOM 1110 CG LYS A 66 16.642 -10.619 -6.607 1.00 24.03 C ATOM 1111 CD LYS A 66 16.946 -11.550 -7.805 1.00 63.45 C ATOM 1112 CE LYS A 66 16.413 -12.984 -7.610 1.00 42.42 C ATOM 1113 NZ LYS A 66 16.685 -13.843 -8.794 1.00 11.33 N ATOM 0 H LYS A 66 12.865 -8.597 -5.225 1.00 33.14 H new ATOM 0 HA LYS A 66 15.228 -9.882 -4.255 1.00 44.44 H new ATOM 0 HB2 LYS A 66 14.686 -11.425 -6.167 1.00 22.30 H new ATOM 0 HB3 LYS A 66 14.661 -10.056 -7.261 1.00 22.30 H new ATOM 0 HG2 LYS A 66 17.090 -9.642 -6.789 1.00 24.03 H new ATOM 0 HG3 LYS A 66 17.111 -11.023 -5.710 1.00 24.03 H new ATOM 0 HD2 LYS A 66 16.506 -11.125 -8.708 1.00 63.45 H new ATOM 0 HD3 LYS A 66 18.024 -11.588 -7.963 1.00 63.45 H new ATOM 0 HE2 LYS A 66 16.875 -13.426 -6.727 1.00 42.42 H new ATOM 0 HE3 LYS A 66 15.339 -12.950 -7.425 1.00 42.42 H new ATOM 0 HZ1 LYS A 66 16.311 -14.798 -8.623 1.00 11.33 H new ATOM 0 HZ2 LYS A 66 16.223 -13.435 -9.632 1.00 11.33 H new ATOM 0 HZ3 LYS A 66 17.711 -13.897 -8.956 1.00 11.33 H new ATOM 1127 N SER A 67 14.784 -7.417 -6.494 1.00 40.23 N ATOM 1128 CA SER A 67 15.294 -6.117 -7.018 1.00 62.44 C ATOM 1129 C SER A 67 16.779 -6.270 -7.482 1.00 21.43 C ATOM 1130 O SER A 67 17.098 -7.249 -8.172 1.00 12.21 O ATOM 1131 CB SER A 67 15.095 -4.979 -5.967 1.00 43.51 C ATOM 1132 OG SER A 67 15.404 -3.701 -6.510 1.00 15.24 O ATOM 0 H SER A 67 13.980 -7.771 -7.012 1.00 40.23 H new ATOM 0 HA SER A 67 14.715 -5.827 -7.895 1.00 62.44 H new ATOM 0 HB2 SER A 67 14.063 -4.985 -5.615 1.00 43.51 H new ATOM 0 HB3 SER A 67 15.728 -5.169 -5.101 1.00 43.51 H new ATOM 0 HG SER A 67 15.267 -3.013 -5.826 1.00 15.24 H new ATOM 1138 N LYS A 68 17.661 -5.282 -7.157 1.00 55.31 N ATOM 1139 CA LYS A 68 19.146 -5.378 -7.307 1.00 2.54 C ATOM 1140 C LYS A 68 19.667 -5.238 -8.770 1.00 65.55 C ATOM 1141 O LYS A 68 20.786 -4.751 -8.974 1.00 74.34 O ATOM 1142 CB LYS A 68 19.714 -6.691 -6.668 1.00 34.31 C ATOM 1143 CG LYS A 68 19.464 -6.846 -5.147 1.00 64.21 C ATOM 1144 CD LYS A 68 19.983 -8.199 -4.600 1.00 41.23 C ATOM 1145 CE LYS A 68 19.754 -8.361 -3.083 1.00 74.45 C ATOM 1146 NZ LYS A 68 20.476 -7.322 -2.293 1.00 74.20 N ATOM 0 H LYS A 68 17.358 -4.385 -6.779 1.00 55.31 H new ATOM 0 HA LYS A 68 19.521 -4.512 -6.762 1.00 2.54 H new ATOM 0 HB2 LYS A 68 19.274 -7.546 -7.181 1.00 34.31 H new ATOM 0 HB3 LYS A 68 20.788 -6.729 -6.849 1.00 34.31 H new ATOM 0 HG2 LYS A 68 19.954 -6.030 -4.616 1.00 64.21 H new ATOM 0 HG3 LYS A 68 18.396 -6.761 -4.946 1.00 64.21 H new ATOM 0 HD2 LYS A 68 19.485 -9.013 -5.126 1.00 41.23 H new ATOM 0 HD3 LYS A 68 21.048 -8.287 -4.813 1.00 41.23 H new ATOM 0 HE2 LYS A 68 18.687 -8.302 -2.869 1.00 74.45 H new ATOM 0 HE3 LYS A 68 20.087 -9.351 -2.770 1.00 74.45 H new ATOM 0 HZ1 LYS A 68 20.393 -7.537 -1.279 1.00 74.20 H new ATOM 0 HZ2 LYS A 68 21.480 -7.315 -2.564 1.00 74.20 H new ATOM 0 HZ3 LYS A 68 20.059 -6.389 -2.484 1.00 74.20 H new ATOM 1160 N CYS A 69 18.875 -5.674 -9.768 1.00 11.04 N ATOM 1161 CA CYS A 69 19.304 -5.763 -11.186 1.00 4.34 C ATOM 1162 C CYS A 69 19.204 -4.399 -11.923 1.00 62.11 C ATOM 1163 O CYS A 69 18.387 -4.216 -12.840 1.00 0.53 O ATOM 1164 CB CYS A 69 18.466 -6.856 -11.895 1.00 53.11 C ATOM 1165 SG CYS A 69 16.676 -6.635 -11.742 1.00 30.22 S ATOM 0 H CYS A 69 17.913 -5.977 -9.617 1.00 11.04 H new ATOM 0 HA CYS A 69 20.359 -6.037 -11.214 1.00 4.34 H new ATOM 0 HB2 CYS A 69 18.730 -6.871 -12.952 1.00 53.11 H new ATOM 0 HB3 CYS A 69 18.737 -7.829 -11.485 1.00 53.11 H new ATOM 0 HG CYS A 69 16.065 -7.596 -12.369 1.00 30.22 H new ATOM 1171 N ARG A 70 20.061 -3.451 -11.490 1.00 45.51 N ATOM 1172 CA ARG A 70 20.195 -2.103 -12.084 1.00 14.24 C ATOM 1173 C ARG A 70 21.401 -1.362 -11.425 1.00 42.05 C ATOM 1174 O ARG A 70 22.483 -1.272 -12.050 1.00 36.56 O ATOM 1175 CB ARG A 70 18.878 -1.276 -11.928 1.00 74.34 C ATOM 1176 CG ARG A 70 18.875 0.075 -12.684 1.00 20.20 C ATOM 1177 CD ARG A 70 17.511 0.793 -12.635 1.00 14.21 C ATOM 1178 NE ARG A 70 17.496 2.002 -13.484 1.00 14.40 N ATOM 1179 CZ ARG A 70 16.999 2.081 -14.706 1.00 54.34 C ATOM 1180 NH1 ARG A 70 16.447 1.053 -15.287 1.00 32.20 N ATOM 1181 NH2 ARG A 70 17.056 3.202 -15.345 1.00 14.04 N ATOM 1182 OXT ARG A 70 21.274 -0.924 -10.258 1.00 36.56 O ATOM 0 H ARG A 70 20.691 -3.603 -10.703 1.00 45.51 H new ATOM 0 HA ARG A 70 20.381 -2.210 -13.153 1.00 14.24 H new ATOM 0 HB2 ARG A 70 18.042 -1.878 -12.283 1.00 74.34 H new ATOM 0 HB3 ARG A 70 18.707 -1.085 -10.869 1.00 74.34 H new ATOM 0 HG2 ARG A 70 19.637 0.726 -12.255 1.00 20.20 H new ATOM 0 HG3 ARG A 70 19.151 -0.097 -13.724 1.00 20.20 H new ATOM 0 HD2 ARG A 70 16.728 0.109 -12.963 1.00 14.21 H new ATOM 0 HD3 ARG A 70 17.282 1.069 -11.606 1.00 14.21 H new ATOM 0 HE ARG A 70 17.905 2.850 -13.093 1.00 14.40 H new ATOM 0 HH11 ARG A 70 16.391 0.160 -14.798 1.00 32.20 H new ATOM 0 HH12 ARG A 70 16.071 1.142 -16.231 1.00 32.20 H new ATOM 0 HH21 ARG A 70 17.482 4.018 -14.906 1.00 14.04 H new ATOM 0 HH22 ARG A 70 16.675 3.271 -16.289 1.00 14.04 H new TER 1196 ARG A 70