USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 808 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 85 SER OG : rot -143:sc= 1.07 USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.543 USER MOD Set 2.1: A 38 ASN : amide:sc= 0.23 K(o=0.63,f=1.2) USER MOD Set 2.2: A 42 THR OG1 : rot -99:sc= 0.399 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.66) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.0282 (180deg=0.0176) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 15 GLN : amide:sc= -2.51 K(o=-2.5,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 99:sc= -1.09 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.668 USER MOD Single : A 36 SER OG : rot -63:sc= 0.591 USER MOD Single : A 39 ASN : amide:sc= -0.0055 X(o=-0.0055,f=-0.16) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0977 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0516 X(o=-0.052,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.62) USER MOD Single : A 65 GLN : amide:sc= -3.91! C(o=-3.9!,f=-9.1!) USER MOD Single : A 66 TYR OH : rot -61:sc= 0.847 USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -3.29 (180deg=-3.46!) USER MOD Single : A 73 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.32) USER MOD Single : A 76 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.46) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 91 ASN : amide:sc= -0.16 K(o=-0.16,f=-2!) USER MOD Single : A 92 ASN : amide:sc= -2.21 X(o=-2.2,f=-2.5!) USER MOD Single : A 95 HIS : no HE2:sc= -2.39 K(o=-2.4,f=-6.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.624 -1.074 -4.744 1.00 73.32 N ATOM 2 CA GLY A 1 8.973 -1.607 -4.700 1.00 74.42 C ATOM 3 C GLY A 1 9.872 -0.833 -3.756 1.00 41.14 C ATOM 4 O GLY A 1 9.590 -0.734 -2.562 1.00 32.12 O ATOM 0 H1 GLY A 1 7.049 -1.637 -5.403 1.00 73.32 H new ATOM 0 H2 GLY A 1 7.203 -1.116 -3.794 1.00 73.32 H new ATOM 0 H3 GLY A 1 7.652 -0.086 -5.067 1.00 73.32 H new ATOM 0 HA2 GLY A 1 8.938 -2.651 -4.389 1.00 74.42 H new ATOM 0 HA3 GLY A 1 9.401 -1.587 -5.702 1.00 74.42 H new ATOM 8 N ALA A 2 10.957 -0.284 -4.292 1.00 22.42 N ATOM 9 CA ALA A 2 11.900 0.484 -3.489 1.00 14.31 C ATOM 10 C ALA A 2 12.670 1.479 -4.350 1.00 21.20 C ATOM 11 O ALA A 2 12.698 1.363 -5.575 1.00 54.32 O ATOM 12 CB ALA A 2 12.861 -0.448 -2.767 1.00 30.43 C ATOM 0 H ALA A 2 11.205 -0.357 -5.279 1.00 22.42 H new ATOM 0 HA ALA A 2 11.333 1.047 -2.748 1.00 14.31 H new ATOM 0 HB1 ALA A 2 13.559 0.140 -2.171 1.00 30.43 H new ATOM 0 HB2 ALA A 2 12.299 -1.115 -2.114 1.00 30.43 H new ATOM 0 HB3 ALA A 2 13.414 -1.037 -3.498 1.00 30.43 H new ATOM 18 N MET A 3 13.295 2.457 -3.702 1.00 21.15 N ATOM 19 CA MET A 3 14.067 3.471 -4.410 1.00 32.52 C ATOM 20 C MET A 3 15.514 3.489 -3.928 1.00 1.14 C ATOM 21 O MET A 3 16.417 3.032 -4.626 1.00 34.44 O ATOM 22 CB MET A 3 13.435 4.852 -4.214 1.00 70.51 C ATOM 23 CG MET A 3 12.304 5.146 -5.187 1.00 63.43 C ATOM 24 SD MET A 3 12.884 5.363 -6.880 1.00 73.22 S ATOM 25 CE MET A 3 11.587 6.399 -7.552 1.00 34.44 C ATOM 0 H MET A 3 13.282 2.568 -2.688 1.00 21.15 H new ATOM 0 HA MET A 3 14.060 3.222 -5.471 1.00 32.52 H new ATOM 0 HB2 MET A 3 13.056 4.928 -3.195 1.00 70.51 H new ATOM 0 HB3 MET A 3 14.206 5.615 -4.325 1.00 70.51 H new ATOM 0 HG2 MET A 3 11.582 4.330 -5.156 1.00 63.43 H new ATOM 0 HG3 MET A 3 11.780 6.047 -4.868 1.00 63.43 H new ATOM 0 HE1 MET A 3 11.803 6.621 -8.597 1.00 34.44 H new ATOM 0 HE2 MET A 3 10.632 5.878 -7.482 1.00 34.44 H new ATOM 0 HE3 MET A 3 11.535 7.329 -6.987 1.00 34.44 H new ATOM 35 N GLY A 4 15.727 4.021 -2.727 1.00 71.02 N ATOM 36 CA GLY A 4 17.066 4.087 -2.172 1.00 21.21 C ATOM 37 C GLY A 4 17.788 5.365 -2.554 1.00 32.32 C ATOM 38 O GLY A 4 18.556 5.388 -3.516 1.00 73.13 O ATOM 0 H GLY A 4 14.996 4.407 -2.130 1.00 71.02 H new ATOM 0 HA2 GLY A 4 17.010 4.015 -1.086 1.00 21.21 H new ATOM 0 HA3 GLY A 4 17.643 3.230 -2.519 1.00 21.21 H new ATOM 42 N ILE A 5 17.540 6.431 -1.799 1.00 25.33 N ATOM 43 CA ILE A 5 18.172 7.717 -2.065 1.00 35.52 C ATOM 44 C ILE A 5 18.445 8.472 -0.768 1.00 41.41 C ATOM 45 O ILE A 5 18.011 8.059 0.307 1.00 32.33 O ATOM 46 CB ILE A 5 17.300 8.594 -2.981 1.00 44.05 C ATOM 47 CG1 ILE A 5 15.906 8.775 -2.377 1.00 32.31 C ATOM 48 CG2 ILE A 5 17.206 7.979 -4.370 1.00 63.14 C ATOM 49 CD1 ILE A 5 15.076 9.828 -3.077 1.00 72.53 C ATOM 0 H ILE A 5 16.907 6.429 -0.999 1.00 25.33 H new ATOM 0 HA ILE A 5 19.116 7.507 -2.568 1.00 35.52 H new ATOM 0 HB ILE A 5 17.766 9.575 -3.070 1.00 44.05 H new ATOM 0 HG12 ILE A 5 15.377 7.823 -2.414 1.00 32.31 H new ATOM 0 HG13 ILE A 5 16.007 9.043 -1.325 1.00 32.31 H new ATOM 0 HG21 ILE A 5 16.586 8.611 -5.006 1.00 63.14 H new ATOM 0 HG22 ILE A 5 18.204 7.899 -4.801 1.00 63.14 H new ATOM 0 HG23 ILE A 5 16.760 6.987 -4.299 1.00 63.14 H new ATOM 0 HD11 ILE A 5 14.101 9.902 -2.596 1.00 72.53 H new ATOM 0 HD12 ILE A 5 15.584 10.791 -3.018 1.00 72.53 H new ATOM 0 HD13 ILE A 5 14.944 9.551 -4.123 1.00 72.53 H new ATOM 61 N ARG A 6 19.168 9.583 -0.877 1.00 74.21 N ATOM 62 CA ARG A 6 19.499 10.397 0.286 1.00 35.21 C ATOM 63 C ARG A 6 19.945 11.793 -0.137 1.00 33.14 C ATOM 64 O ARG A 6 20.852 11.945 -0.953 1.00 23.44 O ATOM 65 CB ARG A 6 20.601 9.726 1.108 1.00 14.54 C ATOM 66 CG ARG A 6 20.753 10.299 2.506 1.00 13.20 C ATOM 67 CD ARG A 6 19.807 9.628 3.490 1.00 32.21 C ATOM 68 NE ARG A 6 20.242 9.802 4.873 1.00 15.01 N ATOM 69 CZ ARG A 6 19.749 9.106 5.891 1.00 41.31 C ATOM 70 NH1 ARG A 6 18.808 8.195 5.682 1.00 20.30 N1+ ATOM 71 NH2 ARG A 6 20.195 9.321 7.122 1.00 20.21 N ATOM 0 H ARG A 6 19.535 9.939 -1.759 1.00 74.21 H new ATOM 0 HA ARG A 6 18.603 10.490 0.899 1.00 35.21 H new ATOM 0 HB2 ARG A 6 20.388 8.660 1.183 1.00 14.54 H new ATOM 0 HB3 ARG A 6 21.549 9.826 0.579 1.00 14.54 H new ATOM 0 HG2 ARG A 6 21.782 10.170 2.843 1.00 13.20 H new ATOM 0 HG3 ARG A 6 20.557 11.371 2.484 1.00 13.20 H new ATOM 0 HD2 ARG A 6 18.806 10.042 3.370 1.00 32.21 H new ATOM 0 HD3 ARG A 6 19.741 8.564 3.262 1.00 32.21 H new ATOM 0 HE ARG A 6 20.964 10.496 5.068 1.00 15.01 H new ATOM 0 HH11 ARG A 6 18.461 8.027 4.738 1.00 20.30 H new ATOM 0 HH12 ARG A 6 18.431 7.662 6.466 1.00 20.30 H new ATOM 0 HH21 ARG A 6 20.918 10.022 7.288 1.00 20.21 H new ATOM 0 HH22 ARG A 6 19.815 8.786 7.903 1.00 20.21 H new ATOM 85 N ASN A 7 19.299 12.810 0.424 1.00 22.05 N ATOM 86 CA ASN A 7 19.627 14.195 0.105 1.00 41.24 C ATOM 87 C ASN A 7 20.317 14.876 1.282 1.00 31.14 C ATOM 88 O ASN A 7 20.297 14.370 2.405 1.00 14.33 O ATOM 89 CB ASN A 7 18.361 14.967 -0.276 1.00 62.11 C ATOM 90 CG ASN A 7 18.664 16.199 -1.104 1.00 21.54 C ATOM 91 OD1 ASN A 7 19.443 16.145 -2.057 1.00 44.51 O ATOM 92 ND2 ASN A 7 18.047 17.319 -0.746 1.00 3.12 N ATOM 0 H ASN A 7 18.545 12.701 1.102 1.00 22.05 H new ATOM 0 HA ASN A 7 20.312 14.193 -0.743 1.00 41.24 H new ATOM 0 HB2 ASN A 7 17.693 14.312 -0.835 1.00 62.11 H new ATOM 0 HB3 ASN A 7 17.832 15.262 0.630 1.00 62.11 H new ATOM 0 HD21 ASN A 7 18.210 18.180 -1.267 1.00 3.12 H new ATOM 0 HD22 ASN A 7 17.410 17.318 0.050 1.00 3.12 H new ATOM 99 N SER A 8 20.927 16.027 1.019 1.00 24.22 N ATOM 100 CA SER A 8 21.626 16.777 2.056 1.00 22.12 C ATOM 101 C SER A 8 20.858 18.043 2.423 1.00 52.21 C ATOM 102 O SER A 8 19.764 18.288 1.914 1.00 13.32 O ATOM 103 CB SER A 8 23.037 17.140 1.589 1.00 33.23 C ATOM 104 OG SER A 8 23.903 16.021 1.663 1.00 33.12 O ATOM 0 H SER A 8 20.951 16.461 0.096 1.00 24.22 H new ATOM 0 HA SER A 8 21.695 16.146 2.942 1.00 22.12 H new ATOM 0 HB2 SER A 8 23.000 17.508 0.564 1.00 33.23 H new ATOM 0 HB3 SER A 8 23.430 17.949 2.204 1.00 33.23 H new ATOM 0 HG SER A 8 24.798 16.279 1.358 1.00 33.12 H new ATOM 110 N ASP A 9 21.437 18.842 3.312 1.00 22.51 N ATOM 111 CA ASP A 9 20.809 20.084 3.747 1.00 21.32 C ATOM 112 C ASP A 9 21.299 21.263 2.913 1.00 15.34 C ATOM 113 O ASP A 9 22.338 21.184 2.258 1.00 53.40 O ATOM 114 CB ASP A 9 21.099 20.335 5.228 1.00 63.52 C ATOM 115 CG ASP A 9 20.124 19.616 6.139 1.00 15.42 C ATOM 116 OD1 ASP A 9 19.512 18.625 5.690 1.00 63.00 O ATOM 117 OD2 ASP A 9 19.974 20.044 7.303 1.00 72.34 O1- ATOM 0 H ASP A 9 22.340 18.652 3.746 1.00 22.51 H new ATOM 0 HA ASP A 9 19.733 19.986 3.607 1.00 21.32 H new ATOM 0 HB2 ASP A 9 22.114 20.009 5.457 1.00 63.52 H new ATOM 0 HB3 ASP A 9 21.056 21.406 5.427 1.00 63.52 H new ATOM 122 N SER A 10 20.543 22.356 2.941 1.00 51.35 N ATOM 123 CA SER A 10 20.897 23.550 2.183 1.00 53.41 C ATOM 124 C SER A 10 20.538 24.814 2.959 1.00 5.23 C ATOM 125 O SER A 10 19.441 24.928 3.506 1.00 2.34 O ATOM 126 CB SER A 10 20.186 23.551 0.829 1.00 3.51 C ATOM 127 OG SER A 10 20.052 22.234 0.322 1.00 14.25 O ATOM 0 H SER A 10 19.681 22.439 3.481 1.00 51.35 H new ATOM 0 HA SER A 10 21.975 23.539 2.019 1.00 53.41 H new ATOM 0 HB2 SER A 10 19.201 24.006 0.932 1.00 3.51 H new ATOM 0 HB3 SER A 10 20.746 24.161 0.121 1.00 3.51 H new ATOM 0 HG SER A 10 19.593 22.262 -0.543 1.00 14.25 H new ATOM 133 N VAL A 11 21.470 25.760 3.004 1.00 42.41 N ATOM 134 CA VAL A 11 21.252 27.015 3.712 1.00 30.25 C ATOM 135 C VAL A 11 20.424 27.982 2.874 1.00 41.31 C ATOM 136 O VAL A 11 20.199 27.755 1.684 1.00 21.42 O ATOM 137 CB VAL A 11 22.587 27.689 4.084 1.00 54.01 C ATOM 138 CG1 VAL A 11 23.363 26.828 5.069 1.00 73.13 C ATOM 139 CG2 VAL A 11 23.412 27.960 2.836 1.00 11.35 C ATOM 0 H VAL A 11 22.384 25.681 2.558 1.00 42.41 H new ATOM 0 HA VAL A 11 20.709 26.773 4.625 1.00 30.25 H new ATOM 0 HB VAL A 11 22.371 28.644 4.564 1.00 54.01 H new ATOM 0 HG11 VAL A 11 24.303 27.320 5.320 1.00 73.13 H new ATOM 0 HG12 VAL A 11 22.773 26.689 5.975 1.00 73.13 H new ATOM 0 HG13 VAL A 11 23.570 25.857 4.619 1.00 73.13 H new ATOM 0 HG21 VAL A 11 24.351 28.436 3.117 1.00 11.35 H new ATOM 0 HG22 VAL A 11 23.620 27.019 2.326 1.00 11.35 H new ATOM 0 HG23 VAL A 11 22.857 28.619 2.169 1.00 11.35 H new ATOM 149 N LYS A 12 19.973 29.063 3.501 1.00 62.13 N ATOM 150 CA LYS A 12 19.170 30.068 2.813 1.00 73.34 C ATOM 151 C LYS A 12 19.438 31.458 3.379 1.00 3.33 C ATOM 152 O LYS A 12 19.894 31.617 4.512 1.00 14.33 O ATOM 153 CB LYS A 12 17.682 29.734 2.937 1.00 2.21 C ATOM 154 CG LYS A 12 17.279 29.253 4.321 1.00 61.00 C ATOM 155 CD LYS A 12 17.377 27.741 4.436 1.00 54.34 C ATOM 156 CE LYS A 12 17.666 27.310 5.866 1.00 72.12 C ATOM 157 NZ LYS A 12 17.513 25.840 6.044 1.00 15.34 N1+ ATOM 0 H LYS A 12 20.150 29.266 4.485 1.00 62.13 H new ATOM 0 HA LYS A 12 19.451 30.063 1.760 1.00 73.34 H new ATOM 0 HB2 LYS A 12 17.098 30.619 2.685 1.00 2.21 H new ATOM 0 HB3 LYS A 12 17.429 28.966 2.207 1.00 2.21 H new ATOM 0 HG2 LYS A 12 17.920 29.718 5.070 1.00 61.00 H new ATOM 0 HG3 LYS A 12 16.258 29.570 4.534 1.00 61.00 H new ATOM 0 HD2 LYS A 12 16.445 27.288 4.099 1.00 54.34 H new ATOM 0 HD3 LYS A 12 18.165 27.375 3.778 1.00 54.34 H new ATOM 0 HE2 LYS A 12 18.680 27.605 6.136 1.00 72.12 H new ATOM 0 HE3 LYS A 12 16.991 27.830 6.546 1.00 72.12 H new ATOM 0 HZ1 LYS A 12 17.848 25.568 6.990 1.00 15.34 H new ATOM 0 HZ2 LYS A 12 16.511 25.581 5.943 1.00 15.34 H new ATOM 0 HZ3 LYS A 12 18.073 25.343 5.323 1.00 15.34 H new ATOM 171 N PRO A 13 19.148 32.492 2.574 1.00 65.41 N ATOM 172 CA PRO A 13 19.348 33.887 2.975 1.00 11.50 C ATOM 173 C PRO A 13 18.367 34.327 4.055 1.00 11.34 C ATOM 174 O PRO A 13 17.635 33.510 4.615 1.00 73.15 O ATOM 175 CB PRO A 13 19.104 34.667 1.681 1.00 0.34 C ATOM 176 CG PRO A 13 18.211 33.789 0.873 1.00 53.31 C ATOM 177 CD PRO A 13 18.603 32.377 1.211 1.00 75.22 C ATOM 0 HA PRO A 13 20.336 34.049 3.407 1.00 11.50 H new ATOM 0 HB2 PRO A 13 18.636 35.631 1.882 1.00 0.34 H new ATOM 0 HB3 PRO A 13 20.039 34.869 1.158 1.00 0.34 H new ATOM 0 HG2 PRO A 13 17.163 33.971 1.113 1.00 53.31 H new ATOM 0 HG3 PRO A 13 18.333 33.983 -0.193 1.00 53.31 H new ATOM 0 HD2 PRO A 13 17.747 31.703 1.176 1.00 75.22 H new ATOM 0 HD3 PRO A 13 19.344 31.988 0.513 1.00 75.22 H new ATOM 185 N THR A 14 18.355 35.625 4.345 1.00 50.15 N ATOM 186 CA THR A 14 17.462 36.173 5.359 1.00 1.34 C ATOM 187 C THR A 14 16.188 36.724 4.730 1.00 54.32 C ATOM 188 O THR A 14 16.122 36.928 3.518 1.00 63.22 O ATOM 189 CB THR A 14 18.148 37.291 6.165 1.00 4.25 C ATOM 190 OG1 THR A 14 18.998 38.062 5.309 1.00 32.32 O ATOM 191 CG2 THR A 14 18.966 36.710 7.309 1.00 71.31 C ATOM 0 H THR A 14 18.953 36.316 3.892 1.00 50.15 H new ATOM 0 HA THR A 14 17.207 35.354 6.032 1.00 1.34 H new ATOM 0 HB THR A 14 17.373 37.934 6.583 1.00 4.25 H new ATOM 0 HG1 THR A 14 19.429 38.772 5.829 1.00 32.32 H new ATOM 0 HG21 THR A 14 19.441 37.519 7.864 1.00 71.31 H new ATOM 0 HG22 THR A 14 18.312 36.148 7.975 1.00 71.31 H new ATOM 0 HG23 THR A 14 19.732 36.046 6.908 1.00 71.31 H new ATOM 199 N GLN A 15 15.179 36.964 5.561 1.00 40.52 N ATOM 200 CA GLN A 15 13.906 37.492 5.085 1.00 43.15 C ATOM 201 C GLN A 15 13.379 38.572 6.024 1.00 33.21 C ATOM 202 O GLN A 15 13.990 38.866 7.050 1.00 53.53 O ATOM 203 CB GLN A 15 12.878 36.366 4.958 1.00 31.55 C ATOM 204 CG GLN A 15 12.921 35.370 6.105 1.00 43.34 C ATOM 205 CD GLN A 15 12.601 36.007 7.442 1.00 4.04 C ATOM 206 OE1 GLN A 15 13.307 35.797 8.429 1.00 13.04 O ATOM 207 NE2 GLN A 15 11.530 36.792 7.483 1.00 54.10 N ATOM 0 H GLN A 15 15.218 36.801 6.567 1.00 40.52 H new ATOM 0 HA GLN A 15 14.071 37.937 4.104 1.00 43.15 H new ATOM 0 HB2 GLN A 15 11.880 36.801 4.903 1.00 31.55 H new ATOM 0 HB3 GLN A 15 13.047 35.836 4.021 1.00 31.55 H new ATOM 0 HG2 GLN A 15 12.211 34.566 5.910 1.00 43.34 H new ATOM 0 HG3 GLN A 15 13.911 34.916 6.150 1.00 43.34 H new ATOM 0 HE21 GLN A 15 10.973 36.939 6.641 1.00 54.10 H new ATOM 0 HE22 GLN A 15 11.265 37.248 8.356 1.00 54.10 H new ATOM 216 N GLN A 16 12.243 39.160 5.663 1.00 34.12 N ATOM 217 CA GLN A 16 11.636 40.209 6.473 1.00 54.22 C ATOM 218 C GLN A 16 10.244 39.798 6.943 1.00 30.53 C ATOM 219 O GLN A 16 9.856 40.069 8.078 1.00 42.22 O ATOM 220 CB GLN A 16 11.554 41.514 5.679 1.00 60.44 C ATOM 221 CG GLN A 16 12.788 41.791 4.836 1.00 73.51 C ATOM 222 CD GLN A 16 12.842 43.220 4.331 1.00 50.44 C ATOM 223 OE1 GLN A 16 13.025 44.158 5.107 1.00 75.13 O ATOM 224 NE2 GLN A 16 12.683 43.392 3.025 1.00 74.11 N ATOM 0 H GLN A 16 11.725 38.928 4.816 1.00 34.12 H new ATOM 0 HA GLN A 16 12.265 40.364 7.350 1.00 54.22 H new ATOM 0 HB2 GLN A 16 10.680 41.480 5.029 1.00 60.44 H new ATOM 0 HB3 GLN A 16 11.404 42.342 6.371 1.00 60.44 H new ATOM 0 HG2 GLN A 16 13.681 41.585 5.427 1.00 73.51 H new ATOM 0 HG3 GLN A 16 12.803 41.109 3.986 1.00 73.51 H new ATOM 0 HE21 GLN A 16 12.534 42.585 2.419 1.00 74.11 H new ATOM 0 HE22 GLN A 16 12.710 44.331 2.627 1.00 74.11 H new ATOM 233 N ALA A 17 9.497 39.143 6.060 1.00 72.44 N ATOM 234 CA ALA A 17 8.149 38.692 6.384 1.00 21.42 C ATOM 235 C ALA A 17 8.159 37.754 7.587 1.00 22.12 C ATOM 236 O ALA A 17 8.784 36.694 7.554 1.00 4.12 O ATOM 237 CB ALA A 17 7.518 38.006 5.181 1.00 42.13 C ATOM 0 H ALA A 17 9.803 38.913 5.115 1.00 72.44 H new ATOM 0 HA ALA A 17 7.552 39.566 6.643 1.00 21.42 H new ATOM 0 HB1 ALA A 17 6.512 37.674 5.438 1.00 42.13 H new ATOM 0 HB2 ALA A 17 7.468 38.707 4.348 1.00 42.13 H new ATOM 0 HB3 ALA A 17 8.122 37.145 4.895 1.00 42.13 H new ATOM 243 N ARG A 18 7.461 38.151 8.646 1.00 33.52 N ATOM 244 CA ARG A 18 7.391 37.347 9.860 1.00 13.22 C ATOM 245 C ARG A 18 7.002 35.907 9.536 1.00 32.13 C ATOM 246 O ARG A 18 5.864 35.612 9.172 1.00 45.04 O ATOM 247 CB ARG A 18 6.383 37.949 10.840 1.00 74.21 C ATOM 248 CG ARG A 18 6.726 37.696 12.299 1.00 51.14 C ATOM 249 CD ARG A 18 6.098 36.406 12.802 1.00 72.54 C ATOM 250 NE ARG A 18 6.844 35.833 13.920 1.00 24.34 N ATOM 251 CZ ARG A 18 6.360 34.891 14.721 1.00 34.35 C ATOM 252 NH1 ARG A 18 5.137 34.417 14.527 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 7.099 34.420 15.716 1.00 44.41 N ATOM 0 H ARG A 18 6.936 39.025 8.688 1.00 33.52 H new ATOM 0 HA ARG A 18 8.379 37.345 10.321 1.00 13.22 H new ATOM 0 HB2 ARG A 18 6.322 39.024 10.671 1.00 74.21 H new ATOM 0 HB3 ARG A 18 5.396 37.537 10.631 1.00 74.21 H new ATOM 0 HG2 ARG A 18 7.808 37.645 12.416 1.00 51.14 H new ATOM 0 HG3 ARG A 18 6.379 38.532 12.906 1.00 51.14 H new ATOM 0 HD2 ARG A 18 5.071 36.600 13.113 1.00 72.54 H new ATOM 0 HD3 ARG A 18 6.053 35.683 11.988 1.00 72.54 H new ATOM 0 HE ARG A 18 7.789 36.175 14.095 1.00 24.34 H new ATOM 0 HH11 ARG A 18 4.566 34.776 13.762 1.00 13.44 H new ATOM 0 HH12 ARG A 18 4.767 33.693 15.143 1.00 13.44 H new ATOM 0 HH21 ARG A 18 8.041 34.781 15.867 1.00 44.41 H new ATOM 0 HH22 ARG A 18 6.726 33.696 16.330 1.00 44.41 H new ATOM 267 N PRO A 19 7.970 34.988 9.669 1.00 42.30 N ATOM 268 CA PRO A 19 7.754 33.564 9.395 1.00 72.54 C ATOM 269 C PRO A 19 6.850 32.906 10.432 1.00 40.44 C ATOM 270 O PRO A 19 6.972 33.164 11.630 1.00 14.01 O ATOM 271 CB PRO A 19 9.164 32.972 9.460 1.00 10.11 C ATOM 272 CG PRO A 19 9.924 33.900 10.344 1.00 63.22 C ATOM 273 CD PRO A 19 9.351 35.269 10.098 1.00 44.21 C ATOM 0 HA PRO A 19 7.254 33.403 8.440 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.150 31.961 9.866 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.614 32.912 8.469 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.819 33.615 11.391 1.00 63.22 H new ATOM 0 HG3 PRO A 19 10.989 33.875 10.112 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.375 35.883 10.999 1.00 44.21 H new ATOM 0 HD3 PRO A 19 9.909 35.806 9.331 1.00 44.21 H new ATOM 281 N THR A 20 5.945 32.052 9.965 1.00 65.22 N ATOM 282 CA THR A 20 5.020 31.357 10.851 1.00 1.42 C ATOM 283 C THR A 20 5.237 29.850 10.798 1.00 44.04 C ATOM 284 O THR A 20 5.196 29.243 9.728 1.00 14.52 O ATOM 285 CB THR A 20 3.556 31.666 10.490 1.00 74.14 C ATOM 286 OG1 THR A 20 3.365 33.082 10.384 1.00 14.13 O ATOM 287 CG2 THR A 20 2.608 31.100 11.537 1.00 21.30 C ATOM 0 H THR A 20 5.833 31.825 8.977 1.00 65.22 H new ATOM 0 HA THR A 20 5.220 31.716 11.861 1.00 1.42 H new ATOM 0 HB THR A 20 3.336 31.196 9.531 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.395 33.346 9.441 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.580 31.331 11.260 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.734 30.019 11.595 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.831 31.544 12.507 1.00 21.30 H new ATOM 295 N VAL A 21 5.469 29.248 11.962 1.00 72.24 N ATOM 296 CA VAL A 21 5.691 27.810 12.048 1.00 21.13 C ATOM 297 C VAL A 21 4.445 27.091 12.555 1.00 13.22 C ATOM 298 O VAL A 21 3.836 27.504 13.542 1.00 54.24 O ATOM 299 CB VAL A 21 6.874 27.479 12.976 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.624 28.022 14.375 1.00 41.02 C ATOM 301 CG2 VAL A 21 7.118 25.978 13.014 1.00 62.22 C ATOM 0 H VAL A 21 5.508 29.735 12.857 1.00 72.24 H new ATOM 0 HA VAL A 21 5.922 27.465 11.040 1.00 21.13 H new ATOM 0 HB VAL A 21 7.769 27.960 12.580 1.00 64.20 H new ATOM 0 HG11 VAL A 21 7.471 27.778 15.017 1.00 41.02 H new ATOM 0 HG12 VAL A 21 6.503 29.104 14.329 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.719 27.573 14.783 1.00 41.02 H new ATOM 0 HG21 VAL A 21 7.958 25.762 13.675 1.00 62.22 H new ATOM 0 HG22 VAL A 21 6.226 25.474 13.385 1.00 62.22 H new ATOM 0 HG23 VAL A 21 7.346 25.621 12.010 1.00 62.22 H new ATOM 311 N ILE A 22 4.072 26.014 11.872 1.00 3.43 N ATOM 312 CA ILE A 22 2.899 25.236 12.255 1.00 12.44 C ATOM 313 C ILE A 22 3.276 23.792 12.568 1.00 32.43 C ATOM 314 O ILE A 22 4.054 23.171 11.843 1.00 24.12 O ATOM 315 CB ILE A 22 1.830 25.247 11.147 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.584 26.678 10.660 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.537 24.624 11.651 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.566 26.769 9.545 1.00 60.50 C ATOM 0 H ILE A 22 4.564 25.660 11.052 1.00 3.43 H new ATOM 0 HA ILE A 22 2.488 25.704 13.149 1.00 12.44 H new ATOM 0 HB ILE A 22 2.192 24.654 10.307 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.247 27.286 11.499 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.527 27.104 10.316 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.208 24.639 10.856 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.723 23.594 11.954 1.00 52.15 H new ATOM 0 HG23 ILE A 22 0.168 25.192 12.505 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.442 27.811 9.250 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.911 26.188 8.689 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.389 26.374 9.891 1.00 60.50 H new ATOM 330 N ARG A 23 2.717 23.262 13.651 1.00 11.32 N ATOM 331 CA ARG A 23 2.993 21.890 14.060 1.00 71.41 C ATOM 332 C ARG A 23 1.802 20.984 13.763 1.00 72.25 C ATOM 333 O ARG A 23 0.651 21.417 13.820 1.00 15.13 O ATOM 334 CB ARG A 23 3.327 21.838 15.551 1.00 10.01 C ATOM 335 CG ARG A 23 3.468 20.425 16.095 1.00 51.15 C ATOM 336 CD ARG A 23 3.878 20.430 17.559 1.00 13.14 C ATOM 337 NE ARG A 23 3.255 19.340 18.306 1.00 73.24 N ATOM 338 CZ ARG A 23 1.990 19.357 18.712 1.00 1.22 C ATOM 339 NH1 ARG A 23 1.219 20.403 18.444 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 1.495 18.329 19.387 1.00 60.42 N ATOM 0 H ARG A 23 2.070 23.762 14.261 1.00 11.32 H new ATOM 0 HA ARG A 23 3.850 21.533 13.490 1.00 71.41 H new ATOM 0 HB2 ARG A 23 4.257 22.380 15.726 1.00 10.01 H new ATOM 0 HB3 ARG A 23 2.546 22.356 16.108 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.522 19.895 15.983 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.210 19.881 15.510 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.962 20.346 17.632 1.00 13.14 H new ATOM 0 HD3 ARG A 23 3.601 21.383 18.010 1.00 13.14 H new ATOM 0 HE ARG A 23 3.822 18.522 18.528 1.00 73.24 H new ATOM 0 HH11 ARG A 23 1.597 21.196 17.925 1.00 61.23 H new ATOM 0 HH12 ARG A 23 0.248 20.414 18.756 1.00 61.23 H new ATOM 0 HH21 ARG A 23 2.085 17.524 19.595 1.00 60.42 H new ATOM 0 HH22 ARG A 23 0.524 18.343 19.698 1.00 60.42 H new ATOM 354 N TRP A 24 2.087 19.726 13.444 1.00 3.23 N ATOM 355 CA TRP A 24 1.038 18.760 13.137 1.00 15.23 C ATOM 356 C TRP A 24 1.159 17.526 14.025 1.00 63.45 C ATOM 357 O TRP A 24 2.251 16.990 14.214 1.00 54.01 O ATOM 358 CB TRP A 24 1.108 18.352 11.664 1.00 72.25 C ATOM 359 CG TRP A 24 0.210 17.201 11.324 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.586 15.910 11.090 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.214 17.240 11.177 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.518 15.142 10.808 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.634 15.934 10.855 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.174 18.248 11.288 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.973 15.615 10.642 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.502 17.931 11.076 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.892 16.623 10.756 1.00 33.23 C ATOM 0 H TRP A 24 3.034 19.352 13.391 1.00 3.23 H new ATOM 0 HA TRP A 24 0.075 19.232 13.331 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.841 19.208 11.044 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.136 18.087 11.416 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.602 15.546 11.122 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.508 14.144 10.598 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -1.883 19.258 11.535 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.275 14.608 10.396 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.252 18.704 11.158 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.938 16.406 10.596 1.00 33.23 H new ATOM 378 N SER A 25 0.031 17.081 14.567 1.00 32.42 N ATOM 379 CA SER A 25 0.011 15.912 15.439 1.00 61.31 C ATOM 380 C SER A 25 -0.993 14.877 14.939 1.00 1.43 C ATOM 381 O SER A 25 -2.194 15.140 14.881 1.00 0.20 O ATOM 382 CB SER A 25 -0.335 16.323 16.871 1.00 74.14 C ATOM 383 OG SER A 25 -0.477 15.186 17.708 1.00 11.02 O ATOM 0 H SER A 25 -0.881 17.512 14.418 1.00 32.42 H new ATOM 0 HA SER A 25 1.005 15.464 15.427 1.00 61.31 H new ATOM 0 HB2 SER A 25 0.446 16.973 17.265 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.261 16.899 16.874 1.00 74.14 H new ATOM 0 HG SER A 25 -0.697 15.475 18.618 1.00 11.02 H new ATOM 389 N GLU A 26 -0.491 13.700 14.578 1.00 53.04 N ATOM 390 CA GLU A 26 -1.343 12.626 14.081 1.00 60.10 C ATOM 391 C GLU A 26 -0.586 11.303 14.044 1.00 74.23 C ATOM 392 O GLU A 26 -1.024 10.308 14.619 1.00 22.33 O ATOM 393 CB GLU A 26 -1.867 12.966 12.684 1.00 62.15 C ATOM 394 CG GLU A 26 -2.976 12.043 12.209 1.00 12.22 C ATOM 395 CD GLU A 26 -2.468 10.944 11.294 1.00 34.13 C ATOM 396 OE1 GLU A 26 -1.652 11.247 10.399 1.00 23.12 O1- ATOM 397 OE2 GLU A 26 -2.887 9.782 11.475 1.00 61.43 O ATOM 0 H GLU A 26 0.501 13.466 14.620 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.187 12.522 14.763 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.234 13.992 12.683 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.041 12.922 11.975 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.465 11.594 13.073 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -3.731 12.628 11.684 1.00 12.22 H new ATOM 404 N GLY A 27 0.556 11.300 13.363 1.00 15.14 N ATOM 405 CA GLY A 27 1.358 10.094 13.263 1.00 4.13 C ATOM 406 C GLY A 27 1.362 9.515 11.862 1.00 73.25 C ATOM 407 O GLY A 27 1.271 8.301 11.683 1.00 40.05 O ATOM 0 H GLY A 27 0.940 12.111 12.879 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.382 10.316 13.564 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.976 9.348 13.960 1.00 4.13 H new ATOM 411 N GLY A 28 1.466 10.387 10.864 1.00 1.41 N ATOM 412 CA GLY A 28 1.477 9.937 9.484 1.00 61.23 C ATOM 413 C GLY A 28 2.882 9.732 8.953 1.00 31.04 C ATOM 414 O GLY A 28 3.862 9.941 9.669 1.00 11.20 O ATOM 0 H GLY A 28 1.543 11.397 10.986 1.00 1.41 H new ATOM 0 HA2 GLY A 28 0.922 9.002 9.405 1.00 61.23 H new ATOM 0 HA3 GLY A 28 0.960 10.668 8.862 1.00 61.23 H new ATOM 418 N LYS A 29 2.983 9.321 7.693 1.00 2.02 N ATOM 419 CA LYS A 29 4.278 9.086 7.066 1.00 70.24 C ATOM 420 C LYS A 29 4.692 10.278 6.209 1.00 44.33 C ATOM 421 O LYS A 29 5.875 10.606 6.117 1.00 44.34 O ATOM 422 CB LYS A 29 4.229 7.821 6.206 1.00 33.13 C ATOM 423 CG LYS A 29 3.130 7.838 5.159 1.00 54.20 C ATOM 424 CD LYS A 29 3.701 7.887 3.752 1.00 2.42 C ATOM 425 CE LYS A 29 3.892 6.491 3.179 1.00 32.15 C ATOM 426 NZ LYS A 29 2.719 6.056 2.373 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.183 9.144 7.086 1.00 2.02 H new ATOM 0 HA LYS A 29 5.017 8.954 7.856 1.00 70.24 H new ATOM 0 HB2 LYS A 29 5.190 7.693 5.709 1.00 33.13 H new ATOM 0 HB3 LYS A 29 4.088 6.956 6.855 1.00 33.13 H new ATOM 0 HG2 LYS A 29 2.507 6.950 5.269 1.00 54.20 H new ATOM 0 HG3 LYS A 29 2.485 8.702 5.321 1.00 54.20 H new ATOM 0 HD2 LYS A 29 3.033 8.458 3.107 1.00 2.42 H new ATOM 0 HD3 LYS A 29 4.657 8.410 3.764 1.00 2.42 H new ATOM 0 HE2 LYS A 29 4.787 6.473 2.557 1.00 32.15 H new ATOM 0 HE3 LYS A 29 4.056 5.784 3.992 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.889 5.100 2.001 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.869 6.048 2.973 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 2.578 6.716 1.582 1.00 31.05 H new ATOM 440 N GLU A 30 3.710 10.924 5.588 1.00 70.41 N ATOM 441 CA GLU A 30 3.974 12.081 4.741 1.00 31.12 C ATOM 442 C GLU A 30 2.980 13.203 5.026 1.00 62.13 C ATOM 443 O GLU A 30 1.775 13.043 4.837 1.00 50.04 O ATOM 444 CB GLU A 30 3.903 11.687 3.264 1.00 52.54 C ATOM 445 CG GLU A 30 5.207 11.123 2.722 1.00 64.11 C ATOM 446 CD GLU A 30 5.538 11.647 1.338 1.00 64.32 C ATOM 447 OE1 GLU A 30 4.610 11.760 0.510 1.00 41.54 O ATOM 448 OE2 GLU A 30 6.724 11.943 1.083 1.00 24.13 O1- ATOM 0 H GLU A 30 2.725 10.666 5.656 1.00 70.41 H new ATOM 0 HA GLU A 30 4.978 12.441 4.966 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.114 10.947 3.131 1.00 52.54 H new ATOM 0 HB3 GLU A 30 3.623 12.561 2.676 1.00 52.54 H new ATOM 0 HG2 GLU A 30 6.019 11.373 3.405 1.00 64.11 H new ATOM 0 HG3 GLU A 30 5.142 10.035 2.689 1.00 64.11 H new ATOM 455 N VAL A 31 3.494 14.340 5.484 1.00 74.14 N ATOM 456 CA VAL A 31 2.654 15.489 5.797 1.00 50.44 C ATOM 457 C VAL A 31 3.076 16.713 4.992 1.00 42.45 C ATOM 458 O VAL A 31 4.264 16.941 4.765 1.00 5.15 O ATOM 459 CB VAL A 31 2.706 15.832 7.298 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.673 16.895 7.639 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.494 14.581 8.137 1.00 3.42 C ATOM 0 H VAL A 31 4.490 14.490 5.647 1.00 74.14 H new ATOM 0 HA VAL A 31 1.633 15.216 5.530 1.00 50.44 H new ATOM 0 HB VAL A 31 3.693 16.233 7.528 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.725 17.124 8.703 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.876 17.798 7.063 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.677 16.526 7.395 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.534 14.841 9.195 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.520 14.149 7.906 1.00 3.42 H new ATOM 0 HG23 VAL A 31 3.276 13.855 7.912 1.00 3.42 H new ATOM 471 N PHE A 32 2.094 17.499 4.563 1.00 3.30 N ATOM 472 CA PHE A 32 2.362 18.701 3.782 1.00 33.30 C ATOM 473 C PHE A 32 1.394 19.820 4.155 1.00 0.43 C ATOM 474 O PHE A 32 0.449 19.609 4.916 1.00 64.31 O ATOM 475 CB PHE A 32 2.258 18.397 2.286 1.00 54.22 C ATOM 476 CG PHE A 32 3.153 17.278 1.837 1.00 44.23 C ATOM 477 CD1 PHE A 32 4.465 17.527 1.469 1.00 61.04 C ATOM 478 CD2 PHE A 32 2.682 15.976 1.783 1.00 31.12 C ATOM 479 CE1 PHE A 32 5.291 16.499 1.056 1.00 62.11 C ATOM 480 CE2 PHE A 32 3.503 14.944 1.371 1.00 15.41 C ATOM 481 CZ PHE A 32 4.809 15.206 1.006 1.00 40.11 C ATOM 0 H PHE A 32 1.105 17.325 4.743 1.00 3.30 H new ATOM 0 HA PHE A 32 3.376 19.032 4.008 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.225 18.144 2.046 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.505 19.297 1.723 1.00 54.22 H new ATOM 0 HD1 PHE A 32 4.847 18.537 1.505 1.00 61.04 H new ATOM 0 HD2 PHE A 32 1.661 15.765 2.066 1.00 31.12 H new ATOM 0 HE1 PHE A 32 6.312 16.707 0.773 1.00 62.11 H new ATOM 0 HE2 PHE A 32 3.124 13.933 1.334 1.00 15.41 H new ATOM 0 HZ PHE A 32 5.452 14.401 0.682 1.00 40.11 H new ATOM 491 N ILE A 33 1.637 21.009 3.613 1.00 13.34 N ATOM 492 CA ILE A 33 0.786 22.161 3.888 1.00 72.44 C ATOM 493 C ILE A 33 0.633 23.039 2.650 1.00 11.41 C ATOM 494 O ILE A 33 1.588 23.245 1.902 1.00 13.30 O ATOM 495 CB ILE A 33 1.348 23.013 5.042 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.424 24.198 5.326 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.752 23.495 4.709 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.654 24.834 6.678 1.00 0.14 C ATOM 0 H ILE A 33 2.415 21.200 2.982 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.190 21.771 4.177 1.00 72.44 H new ATOM 0 HB ILE A 33 1.401 22.396 5.939 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.564 24.951 4.551 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.612 23.864 5.262 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.136 24.096 5.534 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.404 22.636 4.552 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.724 24.100 3.802 1.00 11.24 H new ATOM 0 HD11 ILE A 33 -0.036 25.667 6.810 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.485 24.095 7.461 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.679 25.199 6.739 1.00 0.14 H new ATOM 510 N SER A 34 -0.575 23.554 2.443 1.00 74.21 N ATOM 511 CA SER A 34 -0.854 24.408 1.295 1.00 21.11 C ATOM 512 C SER A 34 -2.003 25.365 1.598 1.00 75.54 C ATOM 513 O SER A 34 -2.980 24.995 2.248 1.00 75.43 O ATOM 514 CB SER A 34 -1.193 23.558 0.070 1.00 25.35 C ATOM 515 OG SER A 34 -0.107 23.517 -0.839 1.00 52.43 O ATOM 0 H SER A 34 -1.375 23.395 3.055 1.00 74.21 H new ATOM 0 HA SER A 34 0.040 24.995 1.084 1.00 21.11 H new ATOM 0 HB2 SER A 34 -1.446 22.546 0.385 1.00 25.35 H new ATOM 0 HB3 SER A 34 -2.073 23.966 -0.428 1.00 25.35 H new ATOM 0 HG SER A 34 -0.349 22.966 -1.613 1.00 52.43 H new ATOM 521 N GLY A 35 -1.878 26.601 1.121 1.00 54.31 N ATOM 522 CA GLY A 35 -2.911 27.592 1.350 1.00 42.32 C ATOM 523 C GLY A 35 -2.817 28.760 0.389 1.00 45.21 C ATOM 524 O GLY A 35 -2.172 28.664 -0.655 1.00 21.03 O ATOM 0 H GLY A 35 -1.079 26.932 0.580 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.889 27.122 1.251 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.836 27.960 2.373 1.00 42.32 H new ATOM 528 N SER A 36 -3.463 29.867 0.740 1.00 75.24 N ATOM 529 CA SER A 36 -3.454 31.058 -0.103 1.00 34.33 C ATOM 530 C SER A 36 -2.082 31.724 -0.086 1.00 71.13 C ATOM 531 O SER A 36 -1.763 32.537 -0.954 1.00 4.31 O ATOM 532 CB SER A 36 -4.520 32.049 0.367 1.00 65.34 C ATOM 533 OG SER A 36 -5.776 31.766 -0.224 1.00 13.12 O ATOM 0 H SER A 36 -3.999 29.965 1.602 1.00 75.24 H new ATOM 0 HA SER A 36 -3.678 30.752 -1.125 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.608 32.006 1.453 1.00 65.34 H new ATOM 0 HB3 SER A 36 -4.215 33.064 0.112 1.00 65.34 H new ATOM 0 HG SER A 36 -5.712 31.876 -1.196 1.00 13.12 H new ATOM 539 N PHE A 37 -1.273 31.374 0.909 1.00 23.10 N ATOM 540 CA PHE A 37 0.065 31.938 1.040 1.00 11.12 C ATOM 541 C PHE A 37 0.998 31.380 -0.029 1.00 50.51 C ATOM 542 O PHE A 37 2.059 31.942 -0.297 1.00 73.12 O ATOM 543 CB PHE A 37 0.631 31.644 2.432 1.00 22.03 C ATOM 544 CG PHE A 37 0.830 30.180 2.699 1.00 62.52 C ATOM 545 CD1 PHE A 37 1.988 29.539 2.290 1.00 4.33 C ATOM 546 CD2 PHE A 37 -0.139 29.445 3.362 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.174 28.192 2.535 1.00 63.12 C ATOM 548 CE2 PHE A 37 0.041 28.097 3.611 1.00 24.12 C ATOM 549 CZ PHE A 37 1.200 27.470 3.196 1.00 45.15 C ATOM 0 H PHE A 37 -1.521 30.703 1.636 1.00 23.10 H new ATOM 0 HA PHE A 37 -0.008 33.017 0.905 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.585 32.159 2.544 1.00 22.03 H new ATOM 0 HB3 PHE A 37 -0.043 32.054 3.184 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.754 30.099 1.774 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -1.047 29.931 3.689 1.00 1.14 H new ATOM 0 HE1 PHE A 37 3.081 27.704 2.210 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.723 27.535 4.129 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.344 26.417 3.388 1.00 45.15 H new ATOM 559 N ASN A 38 0.594 30.270 -0.637 1.00 22.03 N ATOM 560 CA ASN A 38 1.394 29.633 -1.677 1.00 73.21 C ATOM 561 C ASN A 38 0.570 29.419 -2.943 1.00 65.12 C ATOM 562 O ASN A 38 0.943 28.632 -3.812 1.00 33.34 O ATOM 563 CB ASN A 38 1.944 28.295 -1.180 1.00 74.54 C ATOM 564 CG ASN A 38 3.281 27.950 -1.807 1.00 31.23 C ATOM 565 OD1 ASN A 38 4.334 28.337 -1.301 1.00 32.13 O ATOM 566 ND2 ASN A 38 3.244 27.218 -2.914 1.00 70.32 N ATOM 0 H ASN A 38 -0.283 29.793 -0.428 1.00 22.03 H new ATOM 0 HA ASN A 38 2.227 30.294 -1.915 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.053 28.330 -0.096 1.00 74.54 H new ATOM 0 HB3 ASN A 38 1.227 27.505 -1.403 1.00 74.54 H new ATOM 0 HD21 ASN A 38 4.112 26.954 -3.380 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.348 26.919 -3.298 1.00 70.32 H new ATOM 573 N ASN A 39 -0.550 30.126 -3.039 1.00 74.22 N ATOM 574 CA ASN A 39 -1.429 30.014 -4.198 1.00 43.44 C ATOM 575 C ASN A 39 -1.959 28.591 -4.344 1.00 54.22 C ATOM 576 O ASN A 39 -2.421 28.196 -5.414 1.00 61.41 O ATOM 577 CB ASN A 39 -0.683 30.423 -5.470 1.00 4.25 C ATOM 578 CG ASN A 39 -1.615 30.953 -6.542 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.406 31.865 -6.298 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.528 30.381 -7.737 1.00 32.44 N ATOM 0 H ASN A 39 -0.871 30.783 -2.328 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.275 30.685 -4.047 1.00 43.44 H new ATOM 0 HB2 ASN A 39 0.056 31.186 -5.225 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.137 29.564 -5.860 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.131 30.694 -8.498 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -0.858 29.628 -7.895 1.00 32.44 H new ATOM 587 N TRP A 40 -1.888 27.826 -3.259 1.00 11.01 N ATOM 588 CA TRP A 40 -2.363 26.446 -3.266 1.00 32.51 C ATOM 589 C TRP A 40 -1.746 25.665 -4.420 1.00 23.40 C ATOM 590 O TRP A 40 -2.351 24.726 -4.939 1.00 14.41 O ATOM 591 CB TRP A 40 -3.888 26.410 -3.365 1.00 1.54 C ATOM 592 CG TRP A 40 -4.571 27.254 -2.332 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.753 28.608 -2.367 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.161 26.800 -1.109 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.420 29.022 -1.240 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.683 27.933 -0.452 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.303 25.548 -0.505 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.333 27.847 0.776 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.947 25.465 0.715 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.457 26.609 1.344 1.00 71.30 C ATOM 0 H TRP A 40 -1.507 28.137 -2.365 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.057 25.977 -2.331 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.189 26.748 -4.357 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.227 25.379 -3.264 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.421 29.257 -3.164 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.678 29.985 -1.025 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.916 24.660 -0.983 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.726 28.727 1.263 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -6.059 24.502 1.192 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.958 26.511 2.296 1.00 71.30 H new ATOM 611 N SER A 41 -0.540 26.057 -4.818 1.00 74.51 N ATOM 612 CA SER A 41 0.156 25.394 -5.915 1.00 24.05 C ATOM 613 C SER A 41 1.013 24.242 -5.397 1.00 42.45 C ATOM 614 O SER A 41 0.689 23.071 -5.599 1.00 72.12 O ATOM 615 CB SER A 41 1.030 26.395 -6.672 1.00 64.43 C ATOM 616 OG SER A 41 2.067 25.736 -7.378 1.00 75.12 O ATOM 0 H SER A 41 -0.025 26.830 -4.397 1.00 74.51 H new ATOM 0 HA SER A 41 -0.593 24.989 -6.596 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.416 26.964 -7.370 1.00 64.43 H new ATOM 0 HB3 SER A 41 1.461 27.110 -5.971 1.00 64.43 H new ATOM 0 HG SER A 41 2.610 26.398 -7.855 1.00 75.12 H new ATOM 622 N THR A 42 2.109 24.584 -4.727 1.00 73.54 N ATOM 623 CA THR A 42 3.015 23.581 -4.182 1.00 45.04 C ATOM 624 C THR A 42 2.870 23.475 -2.668 1.00 34.20 C ATOM 625 O THR A 42 2.916 24.479 -1.958 1.00 34.44 O ATOM 626 CB THR A 42 4.482 23.902 -4.524 1.00 1.10 C ATOM 627 OG1 THR A 42 4.826 25.202 -4.032 1.00 15.30 O ATOM 628 CG2 THR A 42 4.712 23.846 -6.027 1.00 52.41 C ATOM 0 H THR A 42 2.391 25.548 -4.549 1.00 73.54 H new ATOM 0 HA THR A 42 2.744 22.629 -4.639 1.00 45.04 H new ATOM 0 HB THR A 42 5.115 23.154 -4.047 1.00 1.10 H new ATOM 0 HG1 THR A 42 4.775 25.853 -4.763 1.00 15.30 H new ATOM 0 HG21 THR A 42 5.755 24.076 -6.244 1.00 52.41 H new ATOM 0 HG22 THR A 42 4.477 22.847 -6.394 1.00 52.41 H new ATOM 0 HG23 THR A 42 4.069 24.575 -6.521 1.00 52.41 H new ATOM 636 N LYS A 43 2.696 22.252 -2.179 1.00 53.21 N ATOM 637 CA LYS A 43 2.545 22.014 -0.748 1.00 62.12 C ATOM 638 C LYS A 43 3.906 21.865 -0.076 1.00 0.51 C ATOM 639 O LYS A 43 4.714 21.023 -0.468 1.00 42.43 O ATOM 640 CB LYS A 43 1.705 20.758 -0.505 1.00 42.01 C ATOM 641 CG LYS A 43 2.328 19.491 -1.066 1.00 13.53 C ATOM 642 CD LYS A 43 1.283 18.413 -1.303 1.00 24.00 C ATOM 643 CE LYS A 43 1.859 17.240 -2.080 1.00 21.13 C ATOM 644 NZ LYS A 43 1.553 17.332 -3.533 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.656 21.410 -2.753 1.00 53.21 H new ATOM 0 HA LYS A 43 2.036 22.874 -0.313 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.554 20.634 0.567 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.721 20.897 -0.952 1.00 42.01 H new ATOM 0 HG2 LYS A 43 2.836 19.719 -2.003 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.085 19.120 -0.375 1.00 13.53 H new ATOM 0 HD2 LYS A 43 0.897 18.062 -0.346 1.00 24.00 H new ATOM 0 HD3 LYS A 43 0.441 18.835 -1.851 1.00 24.00 H new ATOM 0 HE2 LYS A 43 2.939 17.206 -1.938 1.00 21.13 H new ATOM 0 HE3 LYS A 43 1.456 16.308 -1.683 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 1.963 16.514 -4.027 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 0.522 17.339 -3.671 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 1.959 18.208 -3.919 1.00 63.23 H new ATOM 658 N ILE A 44 4.152 22.688 0.939 1.00 50.11 N ATOM 659 CA ILE A 44 5.415 22.646 1.666 1.00 75.21 C ATOM 660 C ILE A 44 5.508 21.394 2.533 1.00 20.24 C ATOM 661 O ILE A 44 4.586 21.049 3.272 1.00 14.21 O ATOM 662 CB ILE A 44 5.592 23.888 2.559 1.00 5.22 C ATOM 663 CG1 ILE A 44 6.023 25.090 1.716 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.608 23.611 3.656 1.00 1.53 C ATOM 665 CD1 ILE A 44 4.879 25.760 0.989 1.00 74.32 C ATOM 0 H ILE A 44 3.494 23.391 1.276 1.00 50.11 H new ATOM 0 HA ILE A 44 6.209 22.629 0.919 1.00 75.21 H new ATOM 0 HB ILE A 44 4.636 24.121 3.028 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.510 25.821 2.362 1.00 22.10 H new ATOM 0 HG13 ILE A 44 6.765 24.765 0.987 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.722 24.498 4.279 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.263 22.779 4.270 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.568 23.357 3.207 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.259 26.603 0.412 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.406 25.044 0.317 1.00 74.32 H new ATOM 0 HD13 ILE A 44 4.147 26.116 1.713 1.00 74.32 H new ATOM 677 N PRO A 45 6.650 20.696 2.442 1.00 42.30 N ATOM 678 CA PRO A 45 6.894 19.473 3.212 1.00 74.53 C ATOM 679 C PRO A 45 7.066 19.750 4.701 1.00 40.33 C ATOM 680 O PRO A 45 7.918 20.545 5.100 1.00 40.12 O ATOM 681 CB PRO A 45 8.194 18.930 2.614 1.00 11.42 C ATOM 682 CG PRO A 45 8.883 20.127 2.056 1.00 55.22 C ATOM 683 CD PRO A 45 7.792 21.047 1.581 1.00 3.34 C ATOM 0 HA PRO A 45 6.057 18.777 3.148 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.804 18.440 3.373 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.995 18.191 1.838 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.500 20.611 2.813 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.545 19.850 1.235 1.00 55.22 H new ATOM 0 HD2 PRO A 45 8.073 22.094 1.693 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.564 20.889 0.527 1.00 3.34 H new ATOM 691 N LEU A 46 6.254 19.090 5.519 1.00 54.51 N ATOM 692 CA LEU A 46 6.318 19.264 6.966 1.00 11.22 C ATOM 693 C LEU A 46 7.460 18.449 7.563 1.00 63.13 C ATOM 694 O LEU A 46 7.348 17.233 7.725 1.00 34.03 O ATOM 695 CB LEU A 46 4.991 18.853 7.608 1.00 1.32 C ATOM 696 CG LEU A 46 4.192 19.974 8.274 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.493 20.827 7.227 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.183 19.399 9.257 1.00 1.43 C ATOM 0 H LEU A 46 5.543 18.429 5.205 1.00 54.51 H new ATOM 0 HA LEU A 46 6.503 20.318 7.173 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.366 18.395 6.842 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.194 18.085 8.355 1.00 1.32 H new ATOM 0 HG LEU A 46 4.885 20.609 8.826 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.930 21.619 7.720 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.236 21.269 6.563 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.812 20.205 6.646 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.624 20.211 9.721 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.494 18.740 8.728 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.707 18.833 10.027 1.00 1.43 H new ATOM 710 N ILE A 47 8.555 19.125 7.890 1.00 41.44 N ATOM 711 CA ILE A 47 9.715 18.463 8.474 1.00 1.41 C ATOM 712 C ILE A 47 9.334 17.693 9.733 1.00 65.02 C ATOM 713 O ILE A 47 8.871 18.275 10.714 1.00 61.11 O ATOM 714 CB ILE A 47 10.826 19.473 8.819 1.00 11.35 C ATOM 715 CG1 ILE A 47 11.177 20.317 7.592 1.00 2.10 C ATOM 716 CG2 ILE A 47 12.057 18.749 9.341 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.626 19.496 6.403 1.00 52.21 C ATOM 0 H ILE A 47 8.664 20.131 7.761 1.00 41.44 H new ATOM 0 HA ILE A 47 10.090 17.765 7.725 1.00 1.41 H new ATOM 0 HB ILE A 47 10.462 20.138 9.602 1.00 11.35 H new ATOM 0 HG12 ILE A 47 10.307 20.909 7.307 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.967 21.019 7.858 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.833 19.476 9.580 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.796 18.188 10.239 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.426 18.063 8.579 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.858 20.159 5.570 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.515 18.924 6.670 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.829 18.812 6.111 1.00 52.21 H new ATOM 729 N LYS A 48 9.532 16.380 9.700 1.00 55.44 N ATOM 730 CA LYS A 48 9.212 15.529 10.840 1.00 2.01 C ATOM 731 C LYS A 48 10.257 15.680 11.942 1.00 4.04 C ATOM 732 O LYS A 48 11.438 15.409 11.733 1.00 74.51 O ATOM 733 CB LYS A 48 9.128 14.065 10.402 1.00 32.12 C ATOM 734 CG LYS A 48 8.425 13.169 11.407 1.00 21.33 C ATOM 735 CD LYS A 48 8.288 11.748 10.887 1.00 65.24 C ATOM 736 CE LYS A 48 7.389 10.910 11.783 1.00 55.25 C ATOM 737 NZ LYS A 48 7.033 9.609 11.153 1.00 34.55 N1+ ATOM 0 H LYS A 48 9.913 15.881 8.896 1.00 55.44 H new ATOM 0 HA LYS A 48 8.245 15.841 11.234 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.603 14.009 9.448 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.136 13.687 10.233 1.00 32.12 H new ATOM 0 HG2 LYS A 48 8.983 13.163 12.343 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.437 13.573 11.628 1.00 21.33 H new ATOM 0 HD2 LYS A 48 7.880 11.767 9.876 1.00 65.24 H new ATOM 0 HD3 LYS A 48 9.273 11.286 10.824 1.00 65.24 H new ATOM 0 HE2 LYS A 48 7.892 10.728 12.733 1.00 55.25 H new ATOM 0 HE3 LYS A 48 6.479 11.466 12.006 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 6.420 9.068 11.796 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 6.531 9.782 10.259 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 7.900 9.066 10.963 1.00 34.55 H new ATOM 751 N SER A 49 9.811 16.114 13.118 1.00 14.13 N ATOM 752 CA SER A 49 10.707 16.304 14.252 1.00 33.35 C ATOM 753 C SER A 49 10.750 15.054 15.125 1.00 3.20 C ATOM 754 O SER A 49 10.135 14.037 14.804 1.00 64.42 O ATOM 755 CB SER A 49 10.261 17.507 15.085 1.00 31.23 C ATOM 756 OG SER A 49 11.359 18.093 15.763 1.00 51.25 O ATOM 0 H SER A 49 8.835 16.340 13.309 1.00 14.13 H new ATOM 0 HA SER A 49 11.709 16.490 13.865 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.792 18.248 14.438 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.508 17.194 15.808 1.00 31.23 H new ATOM 0 HG SER A 49 11.048 18.861 16.287 1.00 51.25 H new ATOM 762 N HIS A 50 11.481 15.138 16.233 1.00 0.54 N ATOM 763 CA HIS A 50 11.605 14.014 17.154 1.00 22.21 C ATOM 764 C HIS A 50 10.307 13.800 17.926 1.00 65.22 C ATOM 765 O HIS A 50 10.049 12.710 18.435 1.00 14.41 O ATOM 766 CB HIS A 50 12.760 14.251 18.128 1.00 63.12 C ATOM 767 CG HIS A 50 14.100 13.885 17.569 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.506 12.580 17.384 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.127 14.660 17.153 1.00 30.03 C ATOM 770 CE1 HIS A 50 15.727 12.570 16.879 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.126 13.819 16.729 1.00 44.14 N ATOM 0 H HIS A 50 11.996 15.972 16.514 1.00 0.54 H new ATOM 0 HA HIS A 50 11.811 13.117 16.570 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.771 15.302 18.417 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.584 13.673 19.035 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.156 15.740 17.154 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.301 11.689 16.631 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.030 14.112 16.358 1.00 44.14 H new ATOM 779 N ASN A 51 9.495 14.848 18.011 1.00 43.20 N ATOM 780 CA ASN A 51 8.224 14.774 18.724 1.00 41.32 C ATOM 781 C ASN A 51 7.057 14.682 17.747 1.00 42.34 C ATOM 782 O ASN A 51 6.240 13.765 17.825 1.00 61.52 O ATOM 783 CB ASN A 51 8.051 15.998 19.628 1.00 24.42 C ATOM 784 CG ASN A 51 9.339 16.387 20.326 1.00 75.52 C ATOM 785 OD1 ASN A 51 9.617 15.935 21.437 1.00 63.21 O ATOM 786 ND2 ASN A 51 10.132 17.231 19.677 1.00 63.41 N ATOM 0 H ASN A 51 9.694 15.758 17.596 1.00 43.20 H new ATOM 0 HA ASN A 51 8.232 13.874 19.339 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.695 16.839 19.033 1.00 24.42 H new ATOM 0 HB3 ASN A 51 7.285 15.790 20.375 1.00 24.42 H new ATOM 0 HD21 ASN A 51 11.012 17.530 20.098 1.00 63.41 H new ATOM 0 HD22 ASN A 51 9.862 17.580 18.758 1.00 63.41 H new ATOM 793 N ASP A 52 6.986 15.638 16.826 1.00 25.42 N ATOM 794 CA ASP A 52 5.920 15.663 15.831 1.00 63.14 C ATOM 795 C ASP A 52 6.368 16.401 14.573 1.00 70.31 C ATOM 796 O ASP A 52 7.521 16.817 14.462 1.00 74.35 O ATOM 797 CB ASP A 52 4.669 16.328 16.409 1.00 51.42 C ATOM 798 CG ASP A 52 4.194 15.658 17.684 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.570 14.582 17.591 1.00 71.33 O1- ATOM 800 OD2 ASP A 52 4.446 16.213 18.775 1.00 34.01 O ATOM 0 H ASP A 52 7.654 16.405 16.748 1.00 25.42 H new ATOM 0 HA ASP A 52 5.684 14.634 15.562 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.880 17.378 16.611 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.870 16.300 15.668 1.00 51.42 H new ATOM 805 N PHE A 53 5.448 16.558 13.627 1.00 51.12 N ATOM 806 CA PHE A 53 5.749 17.245 12.376 1.00 12.33 C ATOM 807 C PHE A 53 5.695 18.759 12.558 1.00 22.10 C ATOM 808 O PHE A 53 4.902 19.271 13.347 1.00 32.20 O ATOM 809 CB PHE A 53 4.765 16.815 11.285 1.00 64.40 C ATOM 810 CG PHE A 53 4.938 15.388 10.850 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.819 15.063 9.830 1.00 54.52 C ATOM 812 CD2 PHE A 53 4.220 14.373 11.459 1.00 54.43 C ATOM 813 CE1 PHE A 53 5.980 13.751 9.428 1.00 21.11 C ATOM 814 CE2 PHE A 53 4.378 13.058 11.060 1.00 14.33 C ATOM 815 CZ PHE A 53 5.258 12.747 10.043 1.00 53.35 C ATOM 0 H PHE A 53 4.489 16.219 13.702 1.00 51.12 H new ATOM 0 HA PHE A 53 6.760 16.970 12.074 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.747 16.954 11.649 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.886 17.467 10.420 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.386 15.844 9.344 1.00 54.52 H new ATOM 0 HD2 PHE A 53 3.529 14.610 12.254 1.00 54.43 H new ATOM 0 HE1 PHE A 53 6.670 13.511 8.633 1.00 21.11 H new ATOM 0 HE2 PHE A 53 3.813 12.275 11.544 1.00 14.33 H new ATOM 0 HZ PHE A 53 5.382 11.721 9.729 1.00 53.35 H new ATOM 825 N VAL A 54 6.546 19.468 11.823 1.00 33.42 N ATOM 826 CA VAL A 54 6.595 20.923 11.903 1.00 40.41 C ATOM 827 C VAL A 54 7.070 21.529 10.587 1.00 3.45 C ATOM 828 O VAL A 54 7.846 20.917 9.854 1.00 74.24 O ATOM 829 CB VAL A 54 7.527 21.391 13.037 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.871 21.170 14.392 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.865 20.672 12.958 1.00 4.44 C ATOM 0 H VAL A 54 7.210 19.059 11.166 1.00 33.42 H new ATOM 0 HA VAL A 54 5.581 21.264 12.112 1.00 40.41 H new ATOM 0 HB VAL A 54 7.708 22.459 12.918 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.544 21.506 15.181 1.00 24.21 H new ATOM 0 HG12 VAL A 54 5.941 21.736 14.443 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.658 20.109 14.524 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.511 21.015 13.766 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.707 19.598 13.051 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.338 20.888 12.000 1.00 4.44 H new ATOM 841 N ALA A 55 6.599 22.736 10.295 1.00 33.42 N ATOM 842 CA ALA A 55 6.977 23.428 9.068 1.00 64.34 C ATOM 843 C ALA A 55 6.970 24.940 9.265 1.00 43.12 C ATOM 844 O ALA A 55 6.021 25.499 9.815 1.00 20.33 O ATOM 845 CB ALA A 55 6.043 23.037 7.932 1.00 75.11 C ATOM 0 H ALA A 55 5.955 23.256 10.891 1.00 33.42 H new ATOM 0 HA ALA A 55 7.992 23.127 8.809 1.00 64.34 H new ATOM 0 HB1 ALA A 55 6.337 23.561 7.023 1.00 75.11 H new ATOM 0 HB2 ALA A 55 6.102 21.961 7.766 1.00 75.11 H new ATOM 0 HB3 ALA A 55 5.020 23.308 8.192 1.00 75.11 H new ATOM 851 N ILE A 56 8.035 25.595 8.814 1.00 4.32 N ATOM 852 CA ILE A 56 8.150 27.042 8.941 1.00 62.15 C ATOM 853 C ILE A 56 7.845 27.736 7.617 1.00 1.24 C ATOM 854 O ILE A 56 8.629 27.663 6.671 1.00 41.11 O ATOM 855 CB ILE A 56 9.557 27.456 9.413 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.889 26.783 10.746 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.649 28.970 9.540 1.00 20.32 C ATOM 858 CD1 ILE A 56 10.596 25.454 10.592 1.00 22.53 C ATOM 0 H ILE A 56 8.830 25.147 8.358 1.00 4.32 H new ATOM 0 HA ILE A 56 7.419 27.352 9.688 1.00 62.15 H new ATOM 0 HB ILE A 56 10.285 27.129 8.671 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.515 27.452 11.336 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.967 26.632 11.307 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.649 29.247 9.874 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.450 29.429 8.572 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.914 29.320 10.265 1.00 20.32 H new ATOM 0 HD11 ILE A 56 10.800 25.034 11.577 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.963 24.768 10.029 1.00 22.53 H new ATOM 0 HD13 ILE A 56 11.535 25.601 10.058 1.00 22.53 H new ATOM 870 N LEU A 57 6.703 28.412 7.560 1.00 53.34 N ATOM 871 CA LEU A 57 6.294 29.122 6.353 1.00 41.32 C ATOM 872 C LEU A 57 6.800 30.561 6.370 1.00 4.44 C ATOM 873 O LEU A 57 7.347 31.025 7.371 1.00 25.01 O ATOM 874 CB LEU A 57 4.770 29.106 6.219 1.00 22.14 C ATOM 875 CG LEU A 57 4.112 27.727 6.197 1.00 14.52 C ATOM 876 CD1 LEU A 57 2.671 27.815 6.671 1.00 62.22 C ATOM 877 CD2 LEU A 57 4.181 27.126 4.801 1.00 54.43 C ATOM 0 H LEU A 57 6.044 28.484 8.335 1.00 53.34 H new ATOM 0 HA LEU A 57 6.733 28.612 5.495 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.347 29.675 7.047 1.00 22.14 H new ATOM 0 HB3 LEU A 57 4.501 29.629 5.302 1.00 22.14 H new ATOM 0 HG LEU A 57 4.657 27.075 6.879 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.219 26.823 6.648 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.646 28.202 7.690 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.112 28.483 6.015 1.00 62.22 H new ATOM 0 HD21 LEU A 57 3.708 26.144 4.804 1.00 54.43 H new ATOM 0 HD22 LEU A 57 3.661 27.777 4.098 1.00 54.43 H new ATOM 0 HD23 LEU A 57 5.224 27.025 4.499 1.00 54.43 H new ATOM 889 N ASP A 58 6.611 31.263 5.257 1.00 22.22 N ATOM 890 CA ASP A 58 7.045 32.650 5.146 1.00 23.10 C ATOM 891 C ASP A 58 5.885 33.551 4.734 1.00 53.11 C ATOM 892 O ASP A 58 5.548 33.647 3.553 1.00 71.11 O ATOM 893 CB ASP A 58 8.185 32.771 4.133 1.00 60.34 C ATOM 894 CG ASP A 58 9.382 31.918 4.504 1.00 4.33 C ATOM 895 OD1 ASP A 58 9.585 31.672 5.712 1.00 31.41 O ATOM 896 OD2 ASP A 58 10.117 31.496 3.587 1.00 64.40 O1- ATOM 0 H ASP A 58 6.160 30.894 4.420 1.00 22.22 H new ATOM 0 HA ASP A 58 7.403 32.972 6.124 1.00 23.10 H new ATOM 0 HB2 ASP A 58 7.824 32.477 3.147 1.00 60.34 H new ATOM 0 HB3 ASP A 58 8.494 33.814 4.061 1.00 60.34 H new ATOM 901 N LEU A 59 5.277 34.208 5.715 1.00 12.41 N ATOM 902 CA LEU A 59 4.153 35.101 5.456 1.00 61.11 C ATOM 903 C LEU A 59 4.441 36.506 5.977 1.00 53.10 C ATOM 904 O LEU A 59 5.237 36.703 6.895 1.00 43.12 O ATOM 905 CB LEU A 59 2.881 34.555 6.108 1.00 61.24 C ATOM 906 CG LEU A 59 2.773 33.032 6.195 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.493 32.628 6.910 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.829 32.412 4.807 1.00 1.12 C ATOM 0 H LEU A 59 5.543 34.139 6.697 1.00 12.41 H new ATOM 0 HA LEU A 59 4.007 35.156 4.377 1.00 61.11 H new ATOM 0 HB2 LEU A 59 2.810 34.963 7.116 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.022 34.929 5.551 1.00 61.24 H new ATOM 0 HG LEU A 59 3.620 32.660 6.771 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.433 31.541 6.963 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.494 33.041 7.919 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.633 33.013 6.362 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.751 31.328 4.889 1.00 1.12 H new ATOM 0 HD22 LEU A 59 2.003 32.791 4.206 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.774 32.672 4.330 1.00 1.12 H new ATOM 920 N PRO A 60 3.778 37.507 5.378 1.00 72.34 N ATOM 921 CA PRO A 60 3.945 38.911 5.767 1.00 43.15 C ATOM 922 C PRO A 60 3.351 39.206 7.139 1.00 50.24 C ATOM 923 O PRO A 60 4.049 39.159 8.151 1.00 44.12 O ATOM 924 CB PRO A 60 3.184 39.672 4.678 1.00 2.43 C ATOM 925 CG PRO A 60 2.174 38.701 4.172 1.00 40.55 C ATOM 926 CD PRO A 60 2.815 37.345 4.276 1.00 50.31 C ATOM 0 HA PRO A 60 4.995 39.191 5.847 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.707 40.566 5.080 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.853 39.998 3.882 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.259 38.746 4.763 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.900 38.925 3.141 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.081 36.569 4.494 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.311 37.062 3.347 1.00 50.31 H new ATOM 934 N GLU A 61 2.056 39.510 7.165 1.00 62.44 N ATOM 935 CA GLU A 61 1.369 39.814 8.415 1.00 50.50 C ATOM 936 C GLU A 61 -0.123 40.024 8.177 1.00 12.05 C ATOM 937 O GLU A 61 -0.522 40.757 7.273 1.00 32.42 O ATOM 938 CB GLU A 61 1.974 41.060 9.065 1.00 73.34 C ATOM 939 CG GLU A 61 1.822 41.092 10.577 1.00 52.41 C ATOM 940 CD GLU A 61 0.603 41.875 11.024 1.00 72.55 C ATOM 941 OE1 GLU A 61 0.479 43.055 10.634 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 -0.227 41.307 11.764 1.00 43.41 O ATOM 0 H GLU A 61 1.463 39.552 6.336 1.00 62.44 H new ATOM 0 HA GLU A 61 1.496 38.965 9.087 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.033 41.113 8.813 1.00 73.34 H new ATOM 0 HB3 GLU A 61 1.501 41.946 8.642 1.00 73.34 H new ATOM 0 HG2 GLU A 61 1.752 40.071 10.953 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.715 41.534 11.019 1.00 52.41 H new ATOM 949 N GLY A 62 -0.945 39.374 8.997 1.00 54.52 N ATOM 950 CA GLY A 62 -2.383 39.502 8.861 1.00 52.00 C ATOM 951 C GLY A 62 -3.101 38.175 9.014 1.00 61.55 C ATOM 952 O GLY A 62 -2.979 37.514 10.045 1.00 51.12 O ATOM 0 H GLY A 62 -0.639 38.761 9.753 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.755 40.201 9.610 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.616 39.927 7.885 1.00 52.00 H new ATOM 956 N GLU A 63 -3.851 37.787 7.988 1.00 53.44 N ATOM 957 CA GLU A 63 -4.592 36.531 8.017 1.00 52.42 C ATOM 958 C GLU A 63 -4.388 35.750 6.721 1.00 71.45 C ATOM 959 O GLU A 63 -4.447 36.341 5.645 1.00 35.41 O ATOM 960 CB GLU A 63 -6.083 36.798 8.234 1.00 13.45 C ATOM 961 CG GLU A 63 -6.948 35.555 8.110 1.00 1.11 C ATOM 962 CD GLU A 63 -8.429 35.864 8.198 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.823 36.628 9.105 1.00 35.44 O ATOM 964 OE2 GLU A 63 -9.196 35.344 7.360 1.00 62.20 O1- ATOM 0 H GLU A 63 -3.962 38.323 7.127 1.00 53.44 H new ATOM 0 HA GLU A 63 -4.213 35.933 8.846 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -6.226 37.232 9.224 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.420 37.539 7.509 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.739 35.065 7.159 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.680 34.851 8.898 1.00 1.11 H new ATOM 971 N HIS A 64 -4.153 34.452 6.854 1.00 3.13 N ATOM 972 CA HIS A 64 -3.942 33.608 5.690 1.00 20.42 C ATOM 973 C HIS A 64 -4.586 32.240 5.925 1.00 42.53 C ATOM 974 O HIS A 64 -4.715 31.766 7.053 1.00 73.42 O ATOM 975 CB HIS A 64 -2.453 33.511 5.352 1.00 3.20 C ATOM 976 CG HIS A 64 -1.704 34.814 5.500 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.311 35.581 4.416 1.00 32.22 N ATOM 978 CD2 HIS A 64 -1.281 35.477 6.615 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.680 36.654 4.870 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.662 36.588 6.232 1.00 51.03 N ATOM 0 H HIS A 64 -4.104 33.965 7.749 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.425 34.054 4.821 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.992 32.763 5.998 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.346 33.156 4.327 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -1.425 35.153 7.635 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.255 37.443 4.267 1.00 4.25 H new ATOM 0 HE2 HIS A 64 -0.242 37.278 6.854 1.00 51.03 H new ATOM 988 N GLN A 65 -4.990 31.613 4.826 1.00 53.30 N ATOM 989 CA GLN A 65 -5.625 30.302 4.883 1.00 30.02 C ATOM 990 C GLN A 65 -4.619 29.197 4.575 1.00 12.33 C ATOM 991 O GLN A 65 -3.593 29.438 3.939 1.00 60.12 O ATOM 992 CB GLN A 65 -6.794 30.233 3.899 1.00 12.55 C ATOM 993 CG GLN A 65 -8.067 30.877 4.421 1.00 10.33 C ATOM 994 CD GLN A 65 -8.670 30.120 5.588 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.988 30.704 6.624 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.828 28.812 5.426 1.00 52.31 N ATOM 0 H GLN A 65 -4.889 31.992 3.884 1.00 53.30 H new ATOM 0 HA GLN A 65 -6.003 30.153 5.894 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.504 30.722 2.969 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.996 29.189 3.661 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.852 31.900 4.729 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.798 30.934 3.614 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.550 28.369 4.550 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.227 28.250 6.178 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.922 27.986 5.029 1.00 44.22 N ATOM 1006 CA TYR A 66 -4.042 26.845 4.804 1.00 44.05 C ATOM 1007 C TYR A 66 -4.764 25.534 5.108 1.00 74.13 C ATOM 1008 O TYR A 66 -5.880 25.531 5.626 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.788 26.961 5.671 1.00 51.25 C ATOM 1010 CG TYR A 66 -3.012 26.574 7.116 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.739 27.395 7.970 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.495 25.391 7.627 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -3.946 27.046 9.291 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.697 25.033 8.946 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.423 25.864 9.773 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.626 25.512 11.089 1.00 4.23 O ATOM 0 H TYR A 66 -5.769 27.769 5.554 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.750 26.845 3.754 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -2.006 26.328 5.251 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.423 27.987 5.631 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.149 28.321 7.595 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.925 24.739 6.982 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.514 27.695 9.942 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.289 24.108 9.327 1.00 74.14 H new ATOM 0 HH TYR A 66 -3.233 26.193 11.674 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.115 24.421 4.781 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.690 23.102 5.019 1.00 53.24 C ATOM 1028 C LYS A 67 -3.597 22.069 5.272 1.00 15.33 C ATOM 1029 O LYS A 67 -2.420 22.321 5.014 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.546 22.674 3.825 1.00 51.31 C ATOM 1031 CG LYS A 67 -7.038 22.687 4.109 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.412 21.669 5.174 1.00 54.14 C ATOM 1033 CE LYS A 67 -7.497 20.264 4.597 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.365 19.378 5.420 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.190 24.406 4.350 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.320 23.162 5.907 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -5.339 23.337 2.985 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.252 21.670 3.519 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -7.339 23.683 4.435 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -7.586 22.473 3.191 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -6.673 21.690 5.975 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.370 21.940 5.617 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -7.887 20.312 3.580 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -6.497 19.836 4.535 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -8.226 18.389 5.130 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -8.115 19.482 6.424 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -9.361 19.643 5.282 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.994 20.905 5.776 1.00 0.43 N ATOM 1049 CA PHE A 68 -3.048 19.834 6.063 1.00 43.24 C ATOM 1050 C PHE A 68 -3.231 18.672 5.092 1.00 51.11 C ATOM 1051 O PHE A 68 -4.356 18.267 4.796 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.222 19.343 7.501 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.545 20.217 8.519 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.166 20.344 8.535 1.00 41.10 C ATOM 1055 CD2 PHE A 68 -3.290 20.912 9.459 1.00 14.15 C ATOM 1056 CE1 PHE A 68 -0.541 21.147 9.471 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -2.670 21.717 10.397 1.00 73.42 C ATOM 1058 CZ PHE A 68 -1.294 21.835 10.402 1.00 11.45 C ATOM 0 H PHE A 68 -4.965 20.680 5.994 1.00 0.43 H new ATOM 0 HA PHE A 68 -2.040 20.231 5.941 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.286 19.288 7.731 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.825 18.331 7.581 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.572 19.810 7.808 1.00 41.10 H new ATOM 0 HD2 PHE A 68 -4.366 20.824 9.459 1.00 14.15 H new ATOM 0 HE1 PHE A 68 0.535 21.236 9.474 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -3.261 22.253 11.125 1.00 73.42 H new ATOM 0 HZ PHE A 68 -0.808 22.464 11.133 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.118 18.140 4.597 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.155 17.026 3.658 1.00 72.31 C ATOM 1070 C PHE A 69 -1.405 15.819 4.215 1.00 34.23 C ATOM 1071 O PHE A 69 -0.175 15.797 4.242 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.548 17.442 2.316 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.206 16.792 1.133 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.575 16.888 0.946 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.456 16.087 0.206 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -4.184 16.290 -0.141 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -2.058 15.488 -0.884 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.424 15.591 -1.058 1.00 73.11 C ATOM 0 H PHE A 69 -1.179 18.463 4.831 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.198 16.746 3.507 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.622 18.525 2.213 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.487 17.193 2.314 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.174 17.437 1.658 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.387 16.004 0.337 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.253 16.369 -0.273 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.461 14.940 -1.598 1.00 54.41 H new ATOM 0 HZ PHE A 69 -3.897 15.126 -1.910 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.156 14.818 4.660 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.565 13.608 5.218 1.00 12.31 C ATOM 1090 C VAL A 70 -2.033 12.368 4.461 1.00 74.44 C ATOM 1091 O VAL A 70 -3.232 12.159 4.274 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.914 13.447 6.709 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.172 12.262 7.307 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.597 14.725 7.471 1.00 33.01 C ATOM 0 H VAL A 70 -3.176 14.821 4.645 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.485 13.708 5.115 1.00 12.31 H new ATOM 0 HB VAL A 70 -2.984 13.255 6.795 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.432 12.165 8.361 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.454 11.352 6.778 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.098 12.419 7.211 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.850 14.594 8.523 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.534 14.950 7.378 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.179 15.549 7.058 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.079 11.550 4.030 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.393 10.331 3.294 1.00 43.14 C ATOM 1106 C ASP A 71 -2.320 10.628 2.121 1.00 50.35 C ATOM 1107 O ASP A 71 -3.236 9.859 1.830 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.039 9.302 4.224 1.00 2.43 C ATOM 1109 CG ASP A 71 -1.084 8.805 5.291 1.00 3.42 C ATOM 1110 OD1 ASP A 71 0.142 8.947 5.103 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -1.565 8.275 6.315 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.082 11.709 4.178 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.462 9.922 2.902 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -2.913 9.746 4.701 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -2.393 8.456 3.635 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.075 11.749 1.449 1.00 50.22 N ATOM 1117 CA GLY A 72 -2.897 12.127 0.314 1.00 61.42 C ATOM 1118 C GLY A 72 -4.352 12.328 0.692 1.00 44.45 C ATOM 1119 O GLY A 72 -5.248 12.087 -0.115 1.00 1.33 O ATOM 0 H GLY A 72 -1.323 12.401 1.670 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.508 13.047 -0.122 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -2.827 11.356 -0.454 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.585 12.768 1.925 1.00 51.05 N ATOM 1124 CA GLN A 73 -5.941 12.997 2.409 1.00 43.53 C ATOM 1125 C GLN A 73 -6.051 14.353 3.099 1.00 15.15 C ATOM 1126 O GLN A 73 -5.075 14.857 3.656 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.356 11.885 3.374 1.00 0.22 C ATOM 1128 CG GLN A 73 -6.764 10.597 2.678 1.00 40.22 C ATOM 1129 CD GLN A 73 -7.868 10.808 1.661 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -7.789 10.320 0.533 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -8.905 11.538 2.054 1.00 65.41 N ATOM 0 H GLN A 73 -3.853 12.973 2.606 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.612 12.991 1.550 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.528 11.676 4.052 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.187 12.237 3.985 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -5.895 10.166 2.181 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -7.095 9.875 3.424 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -8.929 11.923 2.998 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -9.678 11.714 1.412 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.242 14.937 3.058 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.478 16.236 3.680 1.00 50.15 C ATOM 1142 C TRP A 74 -7.914 16.073 5.132 1.00 34.22 C ATOM 1143 O TRP A 74 -8.884 15.374 5.424 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.540 17.013 2.900 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.246 17.114 1.434 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.733 16.310 0.443 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.394 18.071 0.796 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.235 16.711 -0.774 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.412 17.790 -0.584 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.620 19.140 1.255 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.686 18.539 -1.506 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -5.898 19.882 0.338 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -5.936 19.579 -1.029 1.00 51.10 C ATOM 0 H TRP A 74 -8.060 14.533 2.601 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.542 16.795 3.662 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.507 16.529 3.037 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.624 18.017 3.316 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.409 15.482 0.593 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.444 16.276 -1.673 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.586 19.382 2.307 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.714 18.307 -2.560 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.295 20.709 0.682 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.362 20.178 -1.720 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.191 16.723 6.039 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.503 16.650 7.461 1.00 44.01 C ATOM 1166 C VAL A 75 -7.303 18.002 8.137 1.00 31.52 C ATOM 1167 O VAL A 75 -6.540 18.841 7.658 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.635 15.598 8.175 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.035 14.195 7.745 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.160 15.849 7.898 1.00 31.10 C ATOM 0 H VAL A 75 -6.385 17.306 5.814 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.550 16.358 7.540 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.800 15.684 9.249 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.411 13.465 8.260 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.081 14.021 7.998 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.901 14.092 6.668 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.560 15.096 8.410 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.976 15.791 6.825 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.885 16.840 8.260 1.00 31.10 H new ATOM 1180 N HIS A 76 -7.993 18.207 9.255 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.891 19.457 9.999 1.00 74.30 C ATOM 1182 C HIS A 76 -7.300 19.218 11.385 1.00 62.21 C ATOM 1183 O HIS A 76 -7.331 18.099 11.899 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.266 20.115 10.125 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.151 19.463 11.141 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.924 18.354 10.866 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.383 19.769 12.439 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.594 18.008 11.951 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.283 18.849 12.920 1.00 32.15 N ATOM 0 H HIS A 76 -8.629 17.523 9.665 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.226 20.124 9.450 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.135 21.164 10.390 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.762 20.091 9.154 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -9.943 20.585 12.993 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.280 17.178 12.032 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.651 18.820 13.871 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.762 20.275 11.984 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.164 20.179 13.311 1.00 33.21 C ATOM 1199 C ASP A 77 -7.137 20.665 14.381 1.00 70.34 C ATOM 1200 O ASP A 77 -7.640 21.787 14.334 1.00 64.41 O ATOM 1201 CB ASP A 77 -4.872 20.994 13.370 1.00 62.43 C ATOM 1202 CG ASP A 77 -4.094 20.754 14.649 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -3.786 19.580 14.945 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -3.793 21.739 15.354 1.00 44.05 O1- ATOM 0 H ASP A 77 -6.728 21.208 11.572 1.00 1.43 H new ATOM 0 HA ASP A 77 -5.933 19.132 13.505 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.246 20.740 12.514 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.111 22.054 13.287 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.409 19.800 15.370 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.324 20.119 16.470 1.00 45.12 C ATOM 1211 C PRO A 78 -7.750 21.170 17.415 1.00 52.21 C ATOM 1212 O PRO A 78 -8.483 21.802 18.175 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.487 18.781 17.195 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.243 18.024 16.877 1.00 2.41 C ATOM 1215 CD PRO A 78 -6.845 18.446 15.490 1.00 33.02 C ATOM 0 HA PRO A 78 -9.262 20.542 16.110 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.600 18.924 18.270 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.373 18.249 16.850 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.455 18.250 17.595 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.418 16.949 16.923 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.762 18.449 15.366 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.250 17.774 14.734 1.00 33.02 H new ATOM 1223 N SER A 79 -6.434 21.351 17.361 1.00 35.34 N ATOM 1224 CA SER A 79 -5.762 22.323 18.215 1.00 5.14 C ATOM 1225 C SER A 79 -5.790 23.712 17.584 1.00 2.34 C ATOM 1226 O SER A 79 -5.762 24.724 18.284 1.00 53.41 O ATOM 1227 CB SER A 79 -4.315 21.896 18.469 1.00 42.01 C ATOM 1228 OG SER A 79 -3.829 22.437 19.686 1.00 3.14 O ATOM 0 H SER A 79 -5.813 20.838 16.736 1.00 35.34 H new ATOM 0 HA SER A 79 -6.294 22.363 19.165 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.254 20.808 18.501 1.00 42.01 H new ATOM 0 HB3 SER A 79 -3.685 22.226 17.643 1.00 42.01 H new ATOM 0 HG SER A 79 -2.903 22.148 19.826 1.00 3.14 H new ATOM 1234 N GLU A 80 -5.847 23.752 16.256 1.00 34.21 N ATOM 1235 CA GLU A 80 -5.879 25.015 15.530 1.00 31.11 C ATOM 1236 C GLU A 80 -7.296 25.342 15.070 1.00 4.43 C ATOM 1237 O GLU A 80 -8.162 24.472 14.976 1.00 53.10 O ATOM 1238 CB GLU A 80 -4.938 24.961 14.325 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.508 25.357 14.649 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.224 26.814 14.347 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.512 27.668 15.212 1.00 54.30 O1- ATOM 1242 OE2 GLU A 80 -2.710 27.102 13.245 1.00 23.05 O ATOM 0 H GLU A 80 -5.872 22.923 15.662 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.545 25.802 16.206 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -4.942 23.950 13.917 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.321 25.621 13.546 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.311 25.163 15.704 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -2.823 24.731 14.077 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.541 26.629 14.776 1.00 71.34 N ATOM 1250 CA PRO A 81 -8.851 27.101 14.320 1.00 12.23 C ATOM 1251 C PRO A 81 -9.186 26.614 12.914 1.00 54.22 C ATOM 1252 O PRO A 81 -8.361 26.696 12.004 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.705 28.625 14.337 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.243 28.866 14.176 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.555 27.719 14.865 1.00 34.31 C ATOM 0 HA PRO A 81 -9.659 26.729 14.950 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.274 29.086 13.530 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.076 29.048 15.271 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -6.968 28.909 13.122 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -6.953 29.818 14.620 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.619 27.456 14.371 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.313 27.959 15.900 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.403 26.106 12.742 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.847 25.608 11.447 1.00 44.45 C ATOM 1265 C VAL A 82 -11.956 26.483 10.872 1.00 64.55 C ATOM 1266 O VAL A 82 -12.769 27.039 11.610 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.355 24.157 11.548 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.293 23.262 12.167 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.646 24.099 12.351 1.00 72.14 C ATOM 0 H VAL A 82 -11.098 26.029 13.484 1.00 52.51 H new ATOM 0 HA VAL A 82 -9.983 25.638 10.783 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.563 23.792 10.542 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.669 22.241 12.230 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.396 23.280 11.548 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.051 23.622 13.167 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.990 23.067 12.412 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.467 24.482 13.356 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.407 24.707 11.861 1.00 72.14 H new ATOM 1279 N VAL A 83 -11.981 26.602 9.548 1.00 50.41 N ATOM 1280 CA VAL A 83 -12.991 27.408 8.873 1.00 1.01 C ATOM 1281 C VAL A 83 -13.887 26.544 7.994 1.00 10.44 C ATOM 1282 O VAL A 83 -13.660 25.342 7.846 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.344 28.506 8.006 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.367 29.331 8.829 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.651 27.891 6.799 1.00 11.55 C ATOM 0 H VAL A 83 -11.314 26.151 8.922 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.594 27.877 9.651 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.129 29.171 7.646 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.921 30.101 8.200 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.896 29.802 9.658 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.583 28.683 9.220 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.200 28.680 6.198 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.876 27.203 7.136 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.381 27.349 6.198 1.00 11.55 H new ATOM 1295 N THR A 84 -14.908 27.163 7.408 1.00 44.21 N ATOM 1296 CA THR A 84 -15.840 26.451 6.544 1.00 74.32 C ATOM 1297 C THR A 84 -15.896 27.082 5.157 1.00 53.33 C ATOM 1298 O THR A 84 -16.349 28.216 4.998 1.00 51.12 O ATOM 1299 CB THR A 84 -17.259 26.430 7.143 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.192 26.576 8.566 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.974 25.134 6.794 1.00 25.03 C ATOM 0 H THR A 84 -15.110 28.157 7.517 1.00 44.21 H new ATOM 0 HA THR A 84 -15.474 25.428 6.461 1.00 74.32 H new ATOM 0 HB THR A 84 -17.821 27.262 6.719 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.098 26.563 8.939 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.974 25.142 7.228 1.00 25.03 H new ATOM 0 HG22 THR A 84 -18.049 25.040 5.711 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.412 24.290 7.193 1.00 25.03 H new ATOM 1309 N SER A 85 -15.433 26.341 4.156 1.00 12.31 N ATOM 1310 CA SER A 85 -15.428 26.830 2.782 1.00 62.15 C ATOM 1311 C SER A 85 -16.852 27.020 2.268 1.00 62.25 C ATOM 1312 O SER A 85 -17.803 26.480 2.829 1.00 25.40 O ATOM 1313 CB SER A 85 -14.672 25.858 1.875 1.00 73.20 C ATOM 1314 OG SER A 85 -15.555 25.198 0.984 1.00 45.01 O ATOM 0 H SER A 85 -15.056 25.400 4.270 1.00 12.31 H new ATOM 0 HA SER A 85 -14.923 27.796 2.768 1.00 62.15 H new ATOM 0 HB2 SER A 85 -13.915 26.400 1.307 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.147 25.122 2.484 1.00 73.20 H new ATOM 0 HG SER A 85 -15.265 24.270 0.864 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.989 27.794 1.195 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.295 28.056 0.604 1.00 2.41 C ATOM 1322 C GLN A 86 -18.902 26.779 0.033 1.00 50.10 C ATOM 1323 O GLN A 86 -20.097 26.725 -0.262 1.00 4.23 O ATOM 1324 CB GLN A 86 -18.179 29.116 -0.493 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.813 30.496 0.028 1.00 61.13 C ATOM 1326 CD GLN A 86 -19.030 31.329 0.377 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -20.167 30.904 0.173 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -18.796 32.524 0.907 1.00 50.44 N ATOM 0 H GLN A 86 -16.211 28.250 0.718 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.953 28.428 1.390 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.427 28.798 -1.215 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -19.127 29.179 -1.027 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -17.183 30.391 0.912 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.223 31.019 -0.724 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -17.837 32.836 1.058 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -19.576 33.130 1.163 1.00 50.44 H new ATOM 1337 N LEU A 87 -18.072 25.753 -0.120 1.00 53.55 N ATOM 1338 CA LEU A 87 -18.525 24.475 -0.655 1.00 32.15 C ATOM 1339 C LEU A 87 -18.894 23.512 0.469 1.00 71.20 C ATOM 1340 O LEU A 87 -19.436 22.435 0.226 1.00 72.13 O ATOM 1341 CB LEU A 87 -17.441 23.855 -1.537 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.605 24.834 -2.363 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -15.381 24.140 -2.937 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -17.445 25.446 -3.474 1.00 21.21 C ATOM 0 H LEU A 87 -17.081 25.782 0.119 1.00 53.55 H new ATOM 0 HA LEU A 87 -19.415 24.658 -1.258 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.768 23.281 -0.901 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -17.915 23.149 -2.218 1.00 52.11 H new ATOM 0 HG LEU A 87 -16.266 25.636 -1.707 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -14.799 24.853 -3.521 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -14.768 23.752 -2.124 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -15.697 23.317 -3.578 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -16.834 26.140 -4.052 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -17.814 24.656 -4.128 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -18.289 25.981 -3.039 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.599 23.911 1.703 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.909 23.074 2.846 1.00 24.33 C ATOM 1358 C GLY A 88 -17.735 22.212 3.269 1.00 1.42 C ATOM 1359 O GLY A 88 -17.911 21.198 3.946 1.00 3.52 O ATOM 0 H GLY A 88 -18.151 24.799 1.931 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.213 23.704 3.682 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.757 22.434 2.604 1.00 24.33 H new ATOM 1363 N THR A 89 -16.533 22.614 2.867 1.00 71.55 N ATOM 1364 CA THR A 89 -15.326 21.870 3.206 1.00 55.20 C ATOM 1365 C THR A 89 -14.570 22.539 4.348 1.00 10.24 C ATOM 1366 O THR A 89 -14.320 23.744 4.316 1.00 41.43 O ATOM 1367 CB THR A 89 -14.388 21.739 1.991 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.751 22.994 1.726 1.00 42.53 O ATOM 1369 CG2 THR A 89 -15.158 21.285 0.760 1.00 71.24 C ATOM 0 H THR A 89 -16.370 23.450 2.306 1.00 71.55 H new ATOM 0 HA THR A 89 -15.645 20.876 3.519 1.00 55.20 H new ATOM 0 HB THR A 89 -13.631 20.990 2.223 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.155 22.902 0.953 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.475 21.200 -0.085 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.617 20.316 0.955 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.934 22.014 0.527 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.207 21.750 5.353 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.476 22.268 6.504 1.00 62.33 C ATOM 1379 C ILE A 90 -12.043 22.630 6.128 1.00 55.32 C ATOM 1380 O ILE A 90 -11.364 21.875 5.434 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.451 21.249 7.659 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.877 20.868 8.063 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.689 21.814 8.847 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.701 22.040 8.547 1.00 10.43 C ATOM 0 H ILE A 90 -14.407 20.751 5.394 1.00 15.44 H new ATOM 0 HA ILE A 90 -14.000 23.165 6.833 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.938 20.349 7.320 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.378 20.410 7.210 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.834 20.115 8.850 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.680 21.082 9.655 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.665 22.038 8.549 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.175 22.727 9.190 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.700 21.696 8.816 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.223 22.485 9.420 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.775 22.785 7.755 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.592 23.789 6.594 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.238 24.252 6.309 1.00 52.40 C ATOM 1398 C ASN A 91 -9.567 24.786 7.571 1.00 14.34 C ATOM 1399 O ASN A 91 -10.152 24.763 8.654 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.265 25.340 5.234 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.065 24.779 3.839 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.943 23.567 3.656 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -10.031 25.660 2.846 1.00 51.12 N ATOM 0 H ASN A 91 -12.143 24.425 7.170 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.660 23.403 5.944 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.218 25.867 5.278 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.486 26.073 5.443 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.900 25.342 1.886 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -10.136 26.655 3.043 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.337 25.267 7.423 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.588 25.807 8.551 1.00 25.44 C ATOM 1412 C ASN A 92 -7.203 27.263 8.302 1.00 42.41 C ATOM 1413 O ASN A 92 -6.830 27.636 7.189 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.330 24.972 8.801 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.597 23.482 8.698 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.822 22.743 8.092 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.697 23.035 9.292 1.00 64.12 N ATOM 0 H ASN A 92 -7.838 25.294 6.534 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.227 25.764 9.433 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.562 25.252 8.080 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.936 25.201 9.791 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.928 22.042 9.257 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.311 23.684 9.784 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.296 28.080 9.345 1.00 31.22 N ATOM 1425 CA LEU A 93 -6.957 29.495 9.240 1.00 13.40 C ATOM 1426 C LEU A 93 -5.771 29.839 10.136 1.00 33.45 C ATOM 1427 O LEU A 93 -5.705 29.408 11.287 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.163 30.358 9.617 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.901 31.859 9.739 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.296 32.402 8.454 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.188 32.598 10.078 1.00 44.50 C ATOM 0 H LEU A 93 -7.603 27.787 10.273 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.679 29.701 8.206 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.942 30.205 8.870 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.558 30.000 10.568 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.188 32.020 10.548 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.117 33.472 8.560 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.353 31.894 8.253 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -7.984 32.230 7.627 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -8.984 33.665 10.161 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.923 32.430 9.290 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.581 32.229 11.025 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.838 30.618 9.601 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.657 31.023 10.353 1.00 23.02 C ATOM 1445 C ILE A 94 -3.438 32.530 10.265 1.00 33.42 C ATOM 1446 O ILE A 94 -3.507 33.116 9.185 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.393 30.301 9.847 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.163 30.775 10.624 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.209 30.539 8.356 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.282 29.646 11.108 1.00 55.11 C ATOM 0 H ILE A 94 -4.877 30.982 8.649 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.834 30.745 11.392 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.513 29.230 10.012 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.575 31.437 9.989 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.490 31.363 11.481 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.312 30.023 8.013 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -3.076 30.157 7.817 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.107 31.608 8.168 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.570 30.056 11.650 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.854 28.996 11.770 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.075 29.071 10.254 1.00 55.11 H new ATOM 1462 N HIS A 95 -3.172 33.151 11.409 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.939 34.590 11.462 1.00 3.12 C ATOM 1464 C HIS A 95 -1.468 34.893 11.725 1.00 23.15 C ATOM 1465 O HIS A 95 -0.793 34.165 12.453 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.806 35.228 12.548 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.274 34.999 12.355 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.226 35.409 13.264 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.951 34.401 11.347 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.425 35.071 12.826 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.286 34.458 11.664 1.00 25.13 N ATOM 0 H HIS A 95 -3.112 32.681 12.312 1.00 31.02 H new ATOM 0 HA HIS A 95 -3.211 35.013 10.495 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.509 34.830 13.518 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.614 36.301 12.571 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -6.034 35.897 14.139 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.521 33.961 10.459 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.360 35.263 13.332 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.976 35.974 11.128 1.00 71.41 N ATOM 1480 CA VAL A 96 0.416 36.375 11.297 1.00 30.12 C ATOM 1481 C VAL A 96 0.517 37.750 11.948 1.00 32.13 C ATOM 1482 O VAL A 96 -0.259 38.654 11.636 1.00 62.43 O ATOM 1483 CB VAL A 96 1.161 36.400 9.949 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.603 36.843 10.145 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.100 35.035 9.281 1.00 60.41 C ATOM 0 H VAL A 96 -1.521 36.588 10.523 1.00 71.41 H new ATOM 0 HA VAL A 96 0.882 35.634 11.947 1.00 30.12 H new ATOM 0 HB VAL A 96 0.670 37.121 9.295 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.114 36.855 9.182 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.621 37.843 10.578 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.109 36.149 10.816 1.00 62.50 H new ATOM 0 HG21 VAL A 96 1.631 35.071 8.330 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.565 34.292 9.929 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.059 34.762 9.105 1.00 60.41 H new ATOM 1495 N LYS A 97 1.478 37.901 12.852 1.00 13.43 N ATOM 1496 CA LYS A 97 1.683 39.166 13.547 1.00 32.32 C ATOM 1497 C LYS A 97 3.146 39.594 13.477 1.00 33.23 C ATOM 1498 O LYS A 97 4.049 38.758 13.483 1.00 53.25 O ATOM 1499 CB LYS A 97 1.244 39.046 15.008 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.162 38.499 15.178 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.715 38.800 16.561 1.00 41.45 C ATOM 1502 CE LYS A 97 -0.148 37.852 17.606 1.00 62.22 C ATOM 1503 NZ LYS A 97 -0.632 38.182 18.975 1.00 53.42 N1+ ATOM 0 H LYS A 97 2.128 37.162 13.121 1.00 13.43 H new ATOM 0 HA LYS A 97 1.077 39.926 13.054 1.00 32.32 H new ATOM 0 HB2 LYS A 97 1.943 38.398 15.537 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.302 40.028 15.478 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.816 38.933 14.422 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.156 37.421 15.014 1.00 24.53 H new ATOM 0 HD2 LYS A 97 -0.477 39.828 16.833 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -1.802 38.718 16.545 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -0.429 36.828 17.358 1.00 62.22 H new ATOM 0 HE3 LYS A 97 0.941 37.898 17.585 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -0.223 37.513 19.658 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -0.342 39.150 19.222 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -1.669 38.114 19.002 1.00 53.42 H new ATOM 1517 N LYS A 98 3.373 40.902 13.414 1.00 54.02 N ATOM 1518 CA LYS A 98 4.725 41.442 13.346 1.00 54.22 C ATOM 1519 C LYS A 98 5.339 41.547 14.738 1.00 33.52 C ATOM 1520 O LYS A 98 4.955 42.405 15.533 1.00 54.13 O ATOM 1521 CB LYS A 98 4.714 42.818 12.676 1.00 72.45 C ATOM 1522 CG LYS A 98 5.792 42.988 11.620 1.00 22.24 C ATOM 1523 CD LYS A 98 7.179 42.756 12.196 1.00 61.03 C ATOM 1524 CE LYS A 98 7.710 41.378 11.830 1.00 12.11 C ATOM 1525 NZ LYS A 98 8.760 41.449 10.778 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.637 41.608 13.409 1.00 54.02 H new ATOM 0 HA LYS A 98 5.332 40.760 12.751 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.739 42.982 12.218 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.840 43.586 13.439 1.00 72.45 H new ATOM 0 HG2 LYS A 98 5.615 42.289 10.802 1.00 22.24 H new ATOM 0 HG3 LYS A 98 5.735 43.992 11.199 1.00 22.24 H new ATOM 0 HD2 LYS A 98 7.861 43.521 11.825 1.00 61.03 H new ATOM 0 HD3 LYS A 98 7.146 42.858 13.281 1.00 61.03 H new ATOM 0 HE2 LYS A 98 8.119 40.899 12.719 1.00 12.11 H new ATOM 0 HE3 LYS A 98 6.888 40.753 11.481 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 9.096 40.490 10.557 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 8.363 41.883 9.920 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 9.556 42.024 11.120 1.00 62.45 H new ATOM 1539 N SER A 99 6.295 40.670 15.027 1.00 5.23 N ATOM 1540 CA SER A 99 6.961 40.663 16.324 1.00 54.21 C ATOM 1541 C SER A 99 7.952 41.817 16.432 1.00 15.23 C ATOM 1542 O SER A 99 8.211 42.329 17.522 1.00 12.25 O ATOM 1543 CB SER A 99 7.683 39.333 16.543 1.00 74.45 C ATOM 1544 OG SER A 99 6.779 38.324 16.961 1.00 71.51 O ATOM 0 H SER A 99 6.626 39.955 14.380 1.00 5.23 H new ATOM 0 HA SER A 99 6.201 40.787 17.096 1.00 54.21 H new ATOM 0 HB2 SER A 99 8.174 39.026 15.620 1.00 74.45 H new ATOM 0 HB3 SER A 99 8.464 39.459 17.293 1.00 74.45 H new ATOM 0 HG SER A 99 7.265 37.483 17.093 1.00 71.51 H new ATOM 1550 N ASP A 100 8.503 42.224 15.294 1.00 41.31 N ATOM 1551 CA ASP A 100 9.466 43.318 15.259 1.00 54.01 C ATOM 1552 C ASP A 100 8.770 44.661 15.459 1.00 20.12 C ATOM 1553 O ASP A 100 9.418 45.675 15.724 1.00 63.13 O ATOM 1554 CB ASP A 100 10.225 43.316 13.931 1.00 12.01 C ATOM 1555 CG ASP A 100 11.587 43.973 14.041 1.00 52.24 C ATOM 1556 OD1 ASP A 100 12.562 43.265 14.370 1.00 51.25 O ATOM 1557 OD2 ASP A 100 11.678 45.194 13.797 1.00 33.31 O1- ATOM 0 H ASP A 100 8.299 41.813 14.383 1.00 41.31 H new ATOM 0 HA ASP A 100 10.175 43.171 16.074 1.00 54.01 H new ATOM 0 HB2 ASP A 100 10.347 42.289 13.587 1.00 12.01 H new ATOM 0 HB3 ASP A 100 9.634 43.836 13.177 1.00 12.01 H new ATOM 1562 N PHE A 101 7.447 44.661 15.329 1.00 63.54 N ATOM 1563 CA PHE A 101 6.663 45.880 15.493 1.00 71.44 C ATOM 1564 C PHE A 101 6.353 46.132 16.966 1.00 52.32 C ATOM 1565 O PHE A 101 6.480 47.254 17.453 1.00 34.45 O ATOM 1566 CB PHE A 101 5.361 45.785 14.695 1.00 63.25 C ATOM 1567 CG PHE A 101 4.486 46.998 14.829 1.00 32.23 C ATOM 1568 CD1 PHE A 101 4.817 48.181 14.188 1.00 71.11 C ATOM 1569 CD2 PHE A 101 3.332 46.955 15.595 1.00 74.14 C ATOM 1570 CE1 PHE A 101 4.015 49.299 14.311 1.00 3.42 C ATOM 1571 CE2 PHE A 101 2.525 48.071 15.721 1.00 33.03 C ATOM 1572 CZ PHE A 101 2.866 49.243 15.077 1.00 74.12 C ATOM 0 H PHE A 101 6.896 43.831 15.111 1.00 63.54 H new ATOM 0 HA PHE A 101 7.252 46.716 15.115 1.00 71.44 H new ATOM 0 HB2 PHE A 101 5.600 45.634 13.642 1.00 63.25 H new ATOM 0 HB3 PHE A 101 4.805 44.908 15.025 1.00 63.25 H new ATOM 0 HD1 PHE A 101 5.712 48.230 13.585 1.00 71.11 H new ATOM 0 HD2 PHE A 101 3.060 46.040 16.099 1.00 74.14 H new ATOM 0 HE1 PHE A 101 4.286 50.216 13.809 1.00 3.42 H new ATOM 0 HE2 PHE A 101 1.629 48.025 16.323 1.00 33.03 H new ATOM 0 HZ PHE A 101 2.236 50.115 15.171 1.00 74.12 H new ATOM 1582 N GLU A 102 5.945 45.080 17.667 1.00 21.35 N ATOM 1583 CA GLU A 102 5.615 45.188 19.083 1.00 14.23 C ATOM 1584 C GLU A 102 6.862 45.487 19.911 1.00 60.31 C ATOM 1585 O GLU A 102 6.777 46.059 20.998 1.00 73.22 O ATOM 1586 CB GLU A 102 4.959 43.896 19.578 1.00 4.10 C ATOM 1587 CG GLU A 102 5.947 42.771 19.831 1.00 33.42 C ATOM 1588 CD GLU A 102 5.390 41.410 19.458 1.00 12.40 C ATOM 1589 OE1 GLU A 102 4.163 41.307 19.254 1.00 64.41 O1- ATOM 1590 OE2 GLU A 102 6.183 40.449 19.369 1.00 22.53 O ATOM 0 H GLU A 102 5.835 44.143 17.278 1.00 21.35 H new ATOM 0 HA GLU A 102 4.913 46.013 19.204 1.00 14.23 H new ATOM 0 HB2 GLU A 102 4.415 44.104 20.499 1.00 4.10 H new ATOM 0 HB3 GLU A 102 4.226 43.566 18.842 1.00 4.10 H new ATOM 0 HG2 GLU A 102 6.857 42.956 19.260 1.00 33.42 H new ATOM 0 HG3 GLU A 102 6.227 42.769 20.884 1.00 33.42 H new ATOM 1597 N VAL A 103 8.020 45.095 19.390 1.00 15.53 N ATOM 1598 CA VAL A 103 9.284 45.320 20.079 1.00 41.23 C ATOM 1599 C VAL A 103 9.744 46.765 19.923 1.00 24.20 C ATOM 1600 O VAL A 103 9.835 47.283 18.809 1.00 11.55 O ATOM 1601 CB VAL A 103 10.386 44.383 19.551 1.00 11.21 C ATOM 1602 CG1 VAL A 103 11.709 44.670 20.244 1.00 71.14 C ATOM 1603 CG2 VAL A 103 9.982 42.928 19.739 1.00 51.01 C ATOM 0 H VAL A 103 8.108 44.620 18.492 1.00 15.53 H new ATOM 0 HA VAL A 103 9.112 45.107 21.134 1.00 41.23 H new ATOM 0 HB VAL A 103 10.515 44.567 18.484 1.00 11.21 H new ATOM 0 HG11 VAL A 103 12.475 43.998 19.858 1.00 71.14 H new ATOM 0 HG12 VAL A 103 12.003 45.702 20.054 1.00 71.14 H new ATOM 0 HG13 VAL A 103 11.599 44.516 21.317 1.00 71.14 H new ATOM 0 HG21 VAL A 103 10.772 42.279 19.361 1.00 51.01 H new ATOM 0 HG22 VAL A 103 9.825 42.728 20.799 1.00 51.01 H new ATOM 0 HG23 VAL A 103 9.059 42.733 19.192 1.00 51.01 H new ATOM 1613 N PHE A 104 10.035 47.412 21.047 1.00 4.44 N ATOM 1614 CA PHE A 104 10.487 48.800 21.036 1.00 53.12 C ATOM 1615 C PHE A 104 12.011 48.876 21.023 1.00 20.21 C ATOM 1616 O PHE A 104 12.590 49.860 20.564 1.00 20.22 O ATOM 1617 CB PHE A 104 9.938 49.547 22.253 1.00 24.34 C ATOM 1618 CG PHE A 104 10.371 48.954 23.564 1.00 11.05 C ATOM 1619 CD1 PHE A 104 11.590 49.296 24.125 1.00 22.12 C ATOM 1620 CD2 PHE A 104 9.557 48.057 24.236 1.00 61.43 C ATOM 1621 CE1 PHE A 104 11.991 48.755 25.332 1.00 61.14 C ATOM 1622 CE2 PHE A 104 9.952 47.511 25.443 1.00 72.14 C ATOM 1623 CZ PHE A 104 11.171 47.860 25.990 1.00 73.40 C ATOM 0 H PHE A 104 9.966 46.998 21.977 1.00 4.44 H new ATOM 0 HA PHE A 104 10.110 49.271 20.128 1.00 53.12 H new ATOM 0 HB2 PHE A 104 10.262 50.587 22.208 1.00 24.34 H new ATOM 0 HB3 PHE A 104 8.849 49.551 22.207 1.00 24.34 H new ATOM 0 HD1 PHE A 104 12.235 49.994 23.613 1.00 22.12 H new ATOM 0 HD2 PHE A 104 8.603 47.781 23.812 1.00 61.43 H new ATOM 0 HE1 PHE A 104 12.943 49.032 25.759 1.00 61.14 H new ATOM 0 HE2 PHE A 104 9.308 46.813 25.957 1.00 72.14 H new ATOM 0 HZ PHE A 104 11.483 47.433 26.932 1.00 73.40 H new ATOM 1633 N ASP A 105 12.653 47.829 21.529 1.00 73.24 N ATOM 1634 CA ASP A 105 14.110 47.776 21.576 1.00 14.44 C ATOM 1635 C ASP A 105 14.679 49.032 22.229 1.00 70.40 C ATOM 1636 O ASP A 105 15.569 49.681 21.677 1.00 42.24 O ATOM 1637 CB ASP A 105 14.681 47.615 20.167 1.00 3.22 C ATOM 1638 CG ASP A 105 14.663 46.174 19.696 1.00 12.21 C ATOM 1639 OD1 ASP A 105 15.102 45.293 20.464 1.00 24.32 O1- ATOM 1640 OD2 ASP A 105 14.210 45.928 18.558 1.00 44.03 O ATOM 0 H ASP A 105 12.188 47.006 21.912 1.00 73.24 H new ATOM 0 HA ASP A 105 14.399 46.914 22.177 1.00 14.44 H new ATOM 0 HB2 ASP A 105 14.106 48.228 19.473 1.00 3.22 H new ATOM 0 HB3 ASP A 105 15.705 47.987 20.148 1.00 3.22 H new TER 1645 ASP A 105