USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 934 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 92 THR OG1 : rot 125:sc= 1.22 USER MOD Set 1.2: A 94 ASN : amide:sc= 0.891 K(o=2.1,f=-3) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 HIS :FLIP no HD1:sc= -11.3! C(o=-12!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= -0.462 (180deg=-1.67!) USER MOD Single : A 11 THR OG1 : rot -76:sc= 0.848 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.3) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.25) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 45 CYS SG : rot -114:sc= -2.65 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -2.12 F(o=-2.9!,f=-2.1) USER MOD Single : A 51 ASN :FLIP amide:sc= -2.67! C(o=-6.5!,f=-2.7!) USER MOD Single : A 52 HIS :FLIP no HE2:sc= -1.53 F(o=-2.8!,f=-1.5) USER MOD Single : A 54 ASN : amide:sc= -0.998! C(o=-1!,f=-1.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -31:sc= -1.13 USER MOD Single : A 63 THR OG1 : rot -152:sc= -2.78 USER MOD Single : A 74 HIS : no HD1:sc= -12.9! C(o=-13!,f=-16!) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.0129 (180deg=-0.389) USER MOD Single : A 79 ASN : amide:sc= -0.425 K(o=-0.42,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0067 X(o=-0.0067,f=-0.0064) USER MOD Single : A 99 HIS : no HD1:sc= -13.9! C(o=-14!,f=-14!) USER MOD Single : A 101 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.04) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -172:sc= 0.561 (180deg=0.473) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.574 25.457 27.657 1.00 0.00 N ATOM 2 CA GLY A 1 -8.754 25.087 28.420 1.00 0.00 C ATOM 3 C GLY A 1 -9.623 24.097 27.641 1.00 0.00 C ATOM 4 O GLY A 1 -9.993 24.357 26.497 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.002 26.129 28.207 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.011 24.607 27.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.864 25.901 26.762 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.453 24.644 29.369 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.334 25.979 28.655 1.00 0.00 H new ATOM 8 N ILE A 2 -9.923 22.983 28.292 1.00 0.00 N ATOM 9 CA ILE A 2 -10.742 21.953 27.674 1.00 0.00 C ATOM 10 C ILE A 2 -11.764 21.443 28.691 1.00 0.00 C ATOM 11 O ILE A 2 -12.038 20.245 28.754 1.00 0.00 O ATOM 12 CB ILE A 2 -9.860 20.852 27.083 1.00 0.00 C ATOM 13 CG1 ILE A 2 -10.596 20.097 25.974 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.350 19.911 28.176 1.00 0.00 C ATOM 15 CD1 ILE A 2 -10.237 18.610 25.992 1.00 0.00 C ATOM 0 H ILE A 2 -9.614 22.771 29.241 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.304 22.364 26.835 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.987 21.321 26.629 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -11.672 20.217 26.100 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -10.339 20.525 25.005 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.726 19.138 27.728 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.763 20.477 28.899 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.197 19.446 28.680 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.773 18.097 25.194 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.164 18.493 25.842 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.518 18.180 26.953 1.00 0.00 H new ATOM 27 N PRO A 3 -12.316 22.401 29.483 1.00 0.00 N ATOM 28 CA PRO A 3 -13.302 22.061 30.494 1.00 0.00 C ATOM 29 C PRO A 3 -14.660 21.758 29.856 1.00 0.00 C ATOM 30 O PRO A 3 -15.656 21.593 30.557 1.00 0.00 O ATOM 31 CB PRO A 3 -13.339 23.260 31.427 1.00 0.00 C ATOM 32 CG PRO A 3 -12.720 24.411 30.652 1.00 0.00 C ATOM 33 CD PRO A 3 -12.016 23.829 29.437 1.00 0.00 C ATOM 0 HA PRO A 3 -13.046 21.154 31.042 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -14.362 23.494 31.722 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.781 23.060 32.342 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.488 25.121 30.345 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.014 24.956 31.278 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.380 24.281 28.514 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.942 24.009 29.478 1.00 0.00 H new ATOM 41 N ASP A 4 -14.654 21.696 28.532 1.00 0.00 N ATOM 42 CA ASP A 4 -15.873 21.416 27.791 1.00 0.00 C ATOM 43 C ASP A 4 -15.649 20.200 26.890 1.00 0.00 C ATOM 44 O ASP A 4 -16.360 20.015 25.904 1.00 0.00 O ATOM 45 CB ASP A 4 -16.261 22.599 26.902 1.00 0.00 C ATOM 46 CG ASP A 4 -17.750 22.695 26.566 1.00 0.00 C ATOM 47 OD1 ASP A 4 -18.478 23.301 27.382 1.00 0.00 O ATOM 48 OD2 ASP A 4 -18.127 22.159 25.502 1.00 0.00 O ATOM 0 H ASP A 4 -13.825 21.835 27.954 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.670 21.230 28.511 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.955 23.521 27.397 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.697 22.535 25.971 1.00 0.00 H new ATOM 53 N LEU A 5 -14.657 19.404 27.260 1.00 0.00 N ATOM 54 CA LEU A 5 -14.330 18.211 26.497 1.00 0.00 C ATOM 55 C LEU A 5 -13.651 17.193 27.416 1.00 0.00 C ATOM 56 O LEU A 5 -12.952 16.297 26.946 1.00 0.00 O ATOM 57 CB LEU A 5 -13.502 18.574 25.263 1.00 0.00 C ATOM 58 CG LEU A 5 -13.769 19.954 24.659 1.00 0.00 C ATOM 59 CD1 LEU A 5 -12.519 20.502 23.968 1.00 0.00 C ATOM 60 CD2 LEU A 5 -14.974 19.916 23.717 1.00 0.00 C ATOM 0 H LEU A 5 -14.069 19.562 28.078 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.237 17.742 26.116 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.446 18.513 25.527 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.682 17.822 24.495 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.015 20.640 25.470 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.737 21.484 23.547 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.711 20.589 24.694 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.218 19.824 23.169 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.142 20.909 23.301 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.781 19.212 22.908 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.858 19.600 24.270 1.00 0.00 H new ATOM 72 N VAL A 6 -13.882 17.365 28.709 1.00 0.00 N ATOM 73 CA VAL A 6 -13.301 16.473 29.698 1.00 0.00 C ATOM 74 C VAL A 6 -14.419 15.702 30.402 1.00 0.00 C ATOM 75 O VAL A 6 -14.191 14.615 30.932 1.00 0.00 O ATOM 76 CB VAL A 6 -12.421 17.266 30.666 1.00 0.00 C ATOM 77 CG1 VAL A 6 -11.943 16.383 31.821 1.00 0.00 C ATOM 78 CG2 VAL A 6 -11.237 17.901 29.935 1.00 0.00 C ATOM 0 H VAL A 6 -14.464 18.109 29.095 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.653 15.740 29.217 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.025 18.070 31.087 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.319 16.971 32.494 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.805 16.000 32.367 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.364 15.549 31.426 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.627 18.459 30.646 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.633 17.120 29.474 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.606 18.577 29.164 1.00 0.00 H new ATOM 88 N LYS A 7 -15.605 16.294 30.385 1.00 0.00 N ATOM 89 CA LYS A 7 -16.759 15.676 31.015 1.00 0.00 C ATOM 90 C LYS A 7 -17.270 14.538 30.129 1.00 0.00 C ATOM 91 O LYS A 7 -18.352 14.002 30.364 1.00 0.00 O ATOM 92 CB LYS A 7 -17.821 16.729 31.337 1.00 0.00 C ATOM 93 CG LYS A 7 -17.965 17.731 30.190 1.00 0.00 C ATOM 94 CD LYS A 7 -17.144 18.994 30.459 1.00 0.00 C ATOM 95 CE LYS A 7 -17.909 19.963 31.363 1.00 0.00 C ATOM 96 NZ LYS A 7 -17.598 19.698 32.786 1.00 0.00 N ATOM 0 H LYS A 7 -15.791 17.195 29.945 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.480 15.235 31.972 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.778 16.241 31.521 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.551 17.255 32.253 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.637 17.271 29.258 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -19.015 17.995 30.063 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.198 18.724 30.928 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.904 19.484 29.515 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.644 20.990 31.112 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -18.981 19.859 31.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.621 20.591 33.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.303 19.042 33.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.651 19.274 32.861 1.00 0.00 H new ATOM 110 N GLY A 8 -16.468 14.203 29.129 1.00 0.00 N ATOM 111 CA GLY A 8 -16.826 13.139 28.207 1.00 0.00 C ATOM 112 C GLY A 8 -15.784 13.005 27.094 1.00 0.00 C ATOM 113 O GLY A 8 -16.049 13.358 25.946 1.00 0.00 O ATOM 0 H GLY A 8 -15.571 14.650 28.937 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -16.909 12.196 28.748 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -17.804 13.344 27.772 1.00 0.00 H new ATOM 117 N PRO A 9 -14.592 12.480 27.483 1.00 0.00 N ATOM 118 CA PRO A 9 -13.509 12.294 26.532 1.00 0.00 C ATOM 119 C PRO A 9 -13.780 11.095 25.621 1.00 0.00 C ATOM 120 O PRO A 9 -14.634 10.263 25.921 1.00 0.00 O ATOM 121 CB PRO A 9 -12.262 12.125 27.383 1.00 0.00 C ATOM 122 CG PRO A 9 -12.753 11.757 28.774 1.00 0.00 C ATOM 123 CD PRO A 9 -14.243 12.050 28.834 1.00 0.00 C ATOM 0 HA PRO A 9 -13.397 13.138 25.851 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.616 11.346 26.978 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.677 13.045 27.406 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.562 10.704 28.980 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.220 12.332 29.532 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.809 11.165 29.126 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.465 12.827 29.566 1.00 0.00 H new ATOM 131 N TRP A 10 -13.034 11.044 24.526 1.00 0.00 N ATOM 132 CA TRP A 10 -13.183 9.960 23.570 1.00 0.00 C ATOM 133 C TRP A 10 -11.923 9.095 23.637 1.00 0.00 C ATOM 134 O TRP A 10 -11.983 7.886 23.418 1.00 0.00 O ATOM 135 CB TRP A 10 -13.463 10.502 22.167 1.00 0.00 C ATOM 136 CG TRP A 10 -14.900 10.983 21.960 1.00 0.00 C ATOM 137 CD1 TRP A 10 -15.667 11.680 22.810 1.00 0.00 C ATOM 138 CD2 TRP A 10 -15.718 10.772 20.790 1.00 0.00 C ATOM 139 NE1 TRP A 10 -16.913 11.934 22.275 1.00 0.00 N ATOM 140 CE2 TRP A 10 -16.945 11.364 21.007 1.00 0.00 C ATOM 141 CE3 TRP A 10 -15.429 10.104 19.587 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -17.982 11.347 20.066 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -16.476 10.096 18.657 1.00 0.00 C ATOM 144 CH2 TRP A 10 -17.717 10.687 18.861 1.00 0.00 C ATOM 0 H TRP A 10 -12.325 11.735 24.280 1.00 0.00 H new ATOM 0 HA TRP A 10 -14.044 9.340 23.820 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -12.782 11.329 21.966 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -13.243 9.723 21.437 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -15.349 12.002 23.791 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -17.671 12.446 22.726 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -14.475 9.634 19.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -18.934 11.818 20.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -16.307 9.595 17.715 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -18.474 10.637 18.092 1.00 0.00 H new ATOM 155 N THR A 11 -10.810 9.748 23.940 1.00 0.00 N ATOM 156 CA THR A 11 -9.538 9.054 24.038 1.00 0.00 C ATOM 157 C THR A 11 -9.078 8.585 22.656 1.00 0.00 C ATOM 158 O THR A 11 -9.549 9.088 21.638 1.00 0.00 O ATOM 159 CB THR A 11 -9.699 7.912 25.044 1.00 0.00 C ATOM 160 OG1 THR A 11 -10.093 6.799 24.247 1.00 0.00 O ATOM 161 CG2 THR A 11 -10.880 8.129 25.992 1.00 0.00 C ATOM 0 H THR A 11 -10.764 10.751 24.121 1.00 0.00 H new ATOM 0 HA THR A 11 -8.753 9.718 24.400 1.00 0.00 H new ATOM 0 HB THR A 11 -8.782 7.808 25.624 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.036 6.892 23.999 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.949 7.290 26.685 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.732 9.052 26.553 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.802 8.200 25.415 1.00 0.00 H new ATOM 169 N LYS A 12 -8.163 7.627 22.666 1.00 0.00 N ATOM 170 CA LYS A 12 -7.634 7.085 21.426 1.00 0.00 C ATOM 171 C LYS A 12 -8.604 6.036 20.878 1.00 0.00 C ATOM 172 O LYS A 12 -8.669 5.816 19.670 1.00 0.00 O ATOM 173 CB LYS A 12 -6.212 6.559 21.634 1.00 0.00 C ATOM 174 CG LYS A 12 -5.565 6.186 20.299 1.00 0.00 C ATOM 175 CD LYS A 12 -4.042 6.318 20.372 1.00 0.00 C ATOM 176 CE LYS A 12 -3.399 6.006 19.020 1.00 0.00 C ATOM 177 NZ LYS A 12 -2.919 4.607 18.984 1.00 0.00 N ATOM 0 H LYS A 12 -7.774 7.212 23.513 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.552 7.868 20.673 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.610 7.317 22.135 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.235 5.687 22.287 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.833 5.163 20.034 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.952 6.831 19.510 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.775 7.329 20.681 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.651 5.640 21.130 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.122 6.169 18.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.567 6.687 18.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.485 4.412 18.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.213 4.463 19.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.720 3.961 19.133 1.00 0.00 H new ATOM 191 N GLU A 13 -9.333 5.415 21.794 1.00 0.00 N ATOM 192 CA GLU A 13 -10.296 4.394 21.418 1.00 0.00 C ATOM 193 C GLU A 13 -11.130 4.865 20.226 1.00 0.00 C ATOM 194 O GLU A 13 -10.922 4.414 19.100 1.00 0.00 O ATOM 195 CB GLU A 13 -11.191 4.022 22.602 1.00 0.00 C ATOM 196 CG GLU A 13 -11.545 2.534 22.575 1.00 0.00 C ATOM 197 CD GLU A 13 -13.057 2.333 22.454 1.00 0.00 C ATOM 198 OE1 GLU A 13 -13.742 2.545 23.478 1.00 0.00 O ATOM 199 OE2 GLU A 13 -13.494 1.971 21.340 1.00 0.00 O ATOM 0 H GLU A 13 -9.276 5.599 22.796 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.750 3.498 21.123 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.683 4.262 23.536 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.104 4.617 22.574 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.042 2.052 21.737 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.182 2.053 23.484 1.00 0.00 H new ATOM 206 N GLU A 14 -12.058 5.767 20.513 1.00 0.00 N ATOM 207 CA GLU A 14 -12.925 6.304 19.478 1.00 0.00 C ATOM 208 C GLU A 14 -12.096 6.770 18.280 1.00 0.00 C ATOM 209 O GLU A 14 -12.493 6.575 17.132 1.00 0.00 O ATOM 210 CB GLU A 14 -13.789 7.443 20.023 1.00 0.00 C ATOM 211 CG GLU A 14 -14.402 7.068 21.374 1.00 0.00 C ATOM 212 CD GLU A 14 -14.732 5.575 21.430 1.00 0.00 C ATOM 213 OE1 GLU A 14 -15.415 5.108 20.493 1.00 0.00 O ATOM 214 OE2 GLU A 14 -14.293 4.934 22.410 1.00 0.00 O ATOM 0 H GLU A 14 -12.228 6.139 21.447 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.595 5.511 19.145 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.184 8.343 20.131 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.582 7.675 19.312 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.708 7.321 22.175 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.308 7.651 21.541 1.00 0.00 H new ATOM 221 N ASP A 15 -10.959 7.377 18.587 1.00 0.00 N ATOM 222 CA ASP A 15 -10.070 7.872 17.550 1.00 0.00 C ATOM 223 C ASP A 15 -9.579 6.697 16.702 1.00 0.00 C ATOM 224 O ASP A 15 -9.318 6.854 15.510 1.00 0.00 O ATOM 225 CB ASP A 15 -8.847 8.562 18.156 1.00 0.00 C ATOM 226 CG ASP A 15 -9.161 9.694 19.136 1.00 0.00 C ATOM 227 OD1 ASP A 15 -10.360 10.029 19.249 1.00 0.00 O ATOM 228 OD2 ASP A 15 -8.196 10.198 19.750 1.00 0.00 O ATOM 0 H ASP A 15 -10.633 7.537 19.540 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.624 8.589 16.944 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.244 7.813 18.670 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.236 8.962 17.347 1.00 0.00 H new ATOM 233 N GLN A 16 -9.467 5.547 17.350 1.00 0.00 N ATOM 234 CA GLN A 16 -9.012 4.346 16.670 1.00 0.00 C ATOM 235 C GLN A 16 -9.995 3.958 15.563 1.00 0.00 C ATOM 236 O GLN A 16 -9.597 3.394 14.545 1.00 0.00 O ATOM 237 CB GLN A 16 -8.819 3.195 17.659 1.00 0.00 C ATOM 238 CG GLN A 16 -10.107 2.385 17.817 1.00 0.00 C ATOM 239 CD GLN A 16 -10.045 1.094 16.998 1.00 0.00 C ATOM 240 OE1 GLN A 16 -9.106 0.319 17.082 1.00 0.00 O ATOM 241 NE2 GLN A 16 -11.096 0.905 16.205 1.00 0.00 N ATOM 0 H GLN A 16 -9.683 5.421 18.339 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.045 4.555 16.214 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.016 2.544 17.313 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.513 3.591 18.627 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.264 2.146 18.869 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.959 2.984 17.496 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.848 1.593 16.182 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.150 0.072 15.619 1.00 0.00 H new ATOM 250 N LYS A 17 -11.259 4.275 15.800 1.00 0.00 N ATOM 251 CA LYS A 17 -12.301 3.967 14.836 1.00 0.00 C ATOM 252 C LYS A 17 -12.068 4.781 13.561 1.00 0.00 C ATOM 253 O LYS A 17 -12.081 4.234 12.460 1.00 0.00 O ATOM 254 CB LYS A 17 -13.684 4.177 15.456 1.00 0.00 C ATOM 255 CG LYS A 17 -14.765 3.467 14.639 1.00 0.00 C ATOM 256 CD LYS A 17 -16.154 3.725 15.226 1.00 0.00 C ATOM 257 CE LYS A 17 -16.891 2.410 15.490 1.00 0.00 C ATOM 258 NZ LYS A 17 -17.469 1.879 14.236 1.00 0.00 N ATOM 0 H LYS A 17 -11.585 4.742 16.646 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.260 2.915 14.554 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.689 3.799 16.478 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.905 5.243 15.509 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.732 3.814 13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.567 2.395 14.621 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.061 4.287 16.155 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.735 4.340 14.538 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.203 1.680 15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.682 2.570 16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.965 0.987 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.141 2.569 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.708 1.707 13.548 1.00 0.00 H new ATOM 272 N VAL A 18 -11.861 6.075 13.754 1.00 0.00 N ATOM 273 CA VAL A 18 -11.626 6.970 12.633 1.00 0.00 C ATOM 274 C VAL A 18 -10.533 6.383 11.738 1.00 0.00 C ATOM 275 O VAL A 18 -10.613 6.474 10.514 1.00 0.00 O ATOM 276 CB VAL A 18 -11.289 8.372 13.145 1.00 0.00 C ATOM 277 CG1 VAL A 18 -10.271 9.059 12.233 1.00 0.00 C ATOM 278 CG2 VAL A 18 -12.554 9.220 13.292 1.00 0.00 C ATOM 0 H VAL A 18 -11.851 6.525 14.669 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.526 7.067 12.026 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.838 8.269 14.132 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.049 10.054 12.620 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.355 8.469 12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.683 9.144 11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.287 10.212 13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.046 9.310 12.324 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.232 8.743 14.000 1.00 0.00 H new ATOM 288 N ILE A 19 -9.537 5.793 12.383 1.00 0.00 N ATOM 289 CA ILE A 19 -8.430 5.191 11.661 1.00 0.00 C ATOM 290 C ILE A 19 -8.969 4.120 10.711 1.00 0.00 C ATOM 291 O ILE A 19 -8.601 4.084 9.537 1.00 0.00 O ATOM 292 CB ILE A 19 -7.372 4.672 12.637 1.00 0.00 C ATOM 293 CG1 ILE A 19 -6.908 5.781 13.583 1.00 0.00 C ATOM 294 CG2 ILE A 19 -6.202 4.031 11.888 1.00 0.00 C ATOM 295 CD1 ILE A 19 -6.946 7.145 12.890 1.00 0.00 C ATOM 0 H ILE A 19 -9.474 5.719 13.398 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.925 5.937 11.047 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.826 3.894 13.251 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.546 5.800 14.467 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.895 5.571 13.926 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.465 3.671 12.605 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.566 3.195 11.291 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.740 4.770 11.233 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.611 7.915 13.585 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.289 7.130 12.021 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.965 7.362 12.570 1.00 0.00 H new ATOM 307 N GLU A 20 -9.831 3.273 11.253 1.00 0.00 N ATOM 308 CA GLU A 20 -10.425 2.204 10.469 1.00 0.00 C ATOM 309 C GLU A 20 -11.393 2.779 9.433 1.00 0.00 C ATOM 310 O GLU A 20 -11.391 2.361 8.276 1.00 0.00 O ATOM 311 CB GLU A 20 -11.128 1.187 11.371 1.00 0.00 C ATOM 312 CG GLU A 20 -11.549 -0.051 10.577 1.00 0.00 C ATOM 313 CD GLU A 20 -12.983 -0.460 10.919 1.00 0.00 C ATOM 314 OE1 GLU A 20 -13.248 -0.645 12.126 1.00 0.00 O ATOM 315 OE2 GLU A 20 -13.782 -0.578 9.965 1.00 0.00 O ATOM 0 H GLU A 20 -10.133 3.305 12.227 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.627 1.682 9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.462 0.894 12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.005 1.646 11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.470 0.153 9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.870 -0.875 10.795 1.00 0.00 H new ATOM 322 N LEU A 21 -12.196 3.730 9.886 1.00 0.00 N ATOM 323 CA LEU A 21 -13.167 4.368 9.012 1.00 0.00 C ATOM 324 C LEU A 21 -12.452 4.916 7.776 1.00 0.00 C ATOM 325 O LEU A 21 -12.914 4.726 6.652 1.00 0.00 O ATOM 326 CB LEU A 21 -13.966 5.423 9.780 1.00 0.00 C ATOM 327 CG LEU A 21 -15.177 4.910 10.562 1.00 0.00 C ATOM 328 CD1 LEU A 21 -15.370 5.703 11.856 1.00 0.00 C ATOM 329 CD2 LEU A 21 -16.436 4.919 9.692 1.00 0.00 C ATOM 0 H LEU A 21 -12.195 4.074 10.846 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.899 3.641 8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.294 5.923 10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.309 6.177 9.072 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.987 3.874 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.237 5.318 12.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.482 5.602 12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.528 6.755 11.618 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.282 4.550 10.272 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.641 5.936 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.283 4.277 8.824 1.00 0.00 H new ATOM 341 N VAL A 22 -11.337 5.586 8.026 1.00 0.00 N ATOM 342 CA VAL A 22 -10.554 6.164 6.947 1.00 0.00 C ATOM 343 C VAL A 22 -10.276 5.090 5.892 1.00 0.00 C ATOM 344 O VAL A 22 -10.673 5.233 4.737 1.00 0.00 O ATOM 345 CB VAL A 22 -9.278 6.796 7.506 1.00 0.00 C ATOM 346 CG1 VAL A 22 -8.372 7.293 6.378 1.00 0.00 C ATOM 347 CG2 VAL A 22 -9.609 7.926 8.483 1.00 0.00 C ATOM 0 H VAL A 22 -10.957 5.742 8.960 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.110 6.964 6.459 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.736 6.026 8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.472 7.738 6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.095 6.455 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.902 8.041 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.685 8.358 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.184 8.696 7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.195 7.530 9.312 1.00 0.00 H new ATOM 357 N LYS A 23 -9.597 4.039 6.329 1.00 0.00 N ATOM 358 CA LYS A 23 -9.262 2.942 5.437 1.00 0.00 C ATOM 359 C LYS A 23 -10.548 2.356 4.851 1.00 0.00 C ATOM 360 O LYS A 23 -10.505 1.611 3.873 1.00 0.00 O ATOM 361 CB LYS A 23 -8.390 1.913 6.158 1.00 0.00 C ATOM 362 CG LYS A 23 -9.240 0.996 7.041 1.00 0.00 C ATOM 363 CD LYS A 23 -8.880 -0.473 6.812 1.00 0.00 C ATOM 364 CE LYS A 23 -9.845 -1.396 7.559 1.00 0.00 C ATOM 365 NZ LYS A 23 -9.992 -2.682 6.842 1.00 0.00 N ATOM 0 H LYS A 23 -9.270 3.924 7.288 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.664 3.301 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.845 1.316 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.647 2.425 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.088 1.252 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.297 1.153 6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.909 -0.696 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.860 -0.658 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.477 -1.576 8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.818 -0.914 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.650 -3.296 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.364 -2.506 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.065 -3.148 6.772 1.00 0.00 H new ATOM 379 N LYS A 24 -11.661 2.715 5.473 1.00 0.00 N ATOM 380 CA LYS A 24 -12.957 2.234 5.025 1.00 0.00 C ATOM 381 C LYS A 24 -13.487 3.157 3.927 1.00 0.00 C ATOM 382 O LYS A 24 -13.979 2.689 2.901 1.00 0.00 O ATOM 383 CB LYS A 24 -13.910 2.079 6.212 1.00 0.00 C ATOM 384 CG LYS A 24 -14.971 1.014 5.928 1.00 0.00 C ATOM 385 CD LYS A 24 -15.707 0.618 7.209 1.00 0.00 C ATOM 386 CE LYS A 24 -17.083 1.284 7.280 1.00 0.00 C ATOM 387 NZ LYS A 24 -17.592 1.277 8.669 1.00 0.00 N ATOM 0 H LYS A 24 -11.692 3.333 6.284 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.864 1.240 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.345 1.806 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.394 3.033 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.685 1.393 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.500 0.135 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.821 -0.465 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.114 0.907 8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.016 2.309 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.781 0.759 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.526 1.733 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.675 0.296 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.933 1.798 9.283 1.00 0.00 H new ATOM 401 N TYR A 25 -13.368 4.452 4.178 1.00 0.00 N ATOM 402 CA TYR A 25 -13.829 5.446 3.223 1.00 0.00 C ATOM 403 C TYR A 25 -12.761 5.725 2.164 1.00 0.00 C ATOM 404 O TYR A 25 -13.040 5.673 0.967 1.00 0.00 O ATOM 405 CB TYR A 25 -14.078 6.722 4.029 1.00 0.00 C ATOM 406 CG TYR A 25 -15.298 6.649 4.950 1.00 0.00 C ATOM 407 CD1 TYR A 25 -15.779 5.423 5.362 1.00 0.00 C ATOM 408 CD2 TYR A 25 -15.918 7.809 5.367 1.00 0.00 C ATOM 409 CE1 TYR A 25 -16.927 5.354 6.228 1.00 0.00 C ATOM 410 CE2 TYR A 25 -17.066 7.740 6.234 1.00 0.00 C ATOM 411 CZ TYR A 25 -17.514 6.516 6.622 1.00 0.00 C ATOM 412 OH TYR A 25 -18.598 6.451 7.440 1.00 0.00 O ATOM 0 H TYR A 25 -12.959 4.837 5.029 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.724 5.097 2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.195 6.938 4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -14.206 7.556 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -15.294 4.515 5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -15.543 8.769 5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.313 4.401 6.557 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.560 8.640 6.569 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.912 7.358 7.640 1.00 0.00 H new ATOM 422 N GLY A 26 -11.561 6.016 2.643 1.00 0.00 N ATOM 423 CA GLY A 26 -10.449 6.304 1.753 1.00 0.00 C ATOM 424 C GLY A 26 -9.408 7.187 2.443 1.00 0.00 C ATOM 425 O GLY A 26 -8.931 6.857 3.528 1.00 0.00 O ATOM 0 H GLY A 26 -11.334 6.059 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.985 5.372 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.816 6.802 0.856 1.00 0.00 H new ATOM 429 N THR A 27 -9.085 8.291 1.786 1.00 0.00 N ATOM 430 CA THR A 27 -8.109 9.224 2.324 1.00 0.00 C ATOM 431 C THR A 27 -8.193 10.565 1.592 1.00 0.00 C ATOM 432 O THR A 27 -7.233 10.988 0.951 1.00 0.00 O ATOM 433 CB THR A 27 -6.729 8.568 2.233 1.00 0.00 C ATOM 434 OG1 THR A 27 -6.792 7.792 1.040 1.00 0.00 O ATOM 435 CG2 THR A 27 -6.498 7.535 3.338 1.00 0.00 C ATOM 0 H THR A 27 -9.482 8.561 0.886 1.00 0.00 H new ATOM 0 HA THR A 27 -8.311 9.448 3.371 1.00 0.00 H new ATOM 0 HB THR A 27 -5.957 9.336 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.937 7.333 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.505 7.100 3.227 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.576 8.020 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.249 6.748 3.264 1.00 0.00 H new ATOM 443 N LYS A 28 -9.352 11.196 1.713 1.00 0.00 N ATOM 444 CA LYS A 28 -9.575 12.481 1.071 1.00 0.00 C ATOM 445 C LYS A 28 -10.949 13.018 1.478 1.00 0.00 C ATOM 446 O LYS A 28 -11.629 13.660 0.679 1.00 0.00 O ATOM 447 CB LYS A 28 -9.383 12.364 -0.442 1.00 0.00 C ATOM 448 CG LYS A 28 -8.573 13.543 -0.985 1.00 0.00 C ATOM 449 CD LYS A 28 -8.878 13.783 -2.465 1.00 0.00 C ATOM 450 CE LYS A 28 -7.624 14.235 -3.217 1.00 0.00 C ATOM 451 NZ LYS A 28 -7.925 15.409 -4.066 1.00 0.00 N ATOM 0 H LYS A 28 -10.146 10.842 2.246 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.836 13.209 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.873 11.429 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.355 12.329 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.803 14.441 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.508 13.347 -0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.265 12.868 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.657 14.540 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.837 14.485 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.249 13.419 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.064 15.703 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.661 15.158 -4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.262 16.192 -3.470 1.00 0.00 H new ATOM 465 N GLN A 29 -11.316 12.735 2.719 1.00 0.00 N ATOM 466 CA GLN A 29 -12.596 13.181 3.241 1.00 0.00 C ATOM 467 C GLN A 29 -12.387 14.084 4.459 1.00 0.00 C ATOM 468 O GLN A 29 -12.758 15.256 4.438 1.00 0.00 O ATOM 469 CB GLN A 29 -13.492 11.990 3.588 1.00 0.00 C ATOM 470 CG GLN A 29 -14.227 11.477 2.349 1.00 0.00 C ATOM 471 CD GLN A 29 -15.504 10.730 2.739 1.00 0.00 C ATOM 472 OE1 GLN A 29 -16.325 11.209 3.504 1.00 0.00 O ATOM 473 NE2 GLN A 29 -15.625 9.534 2.171 1.00 0.00 N ATOM 0 H GLN A 29 -10.749 12.202 3.378 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.101 13.759 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.889 11.189 4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.215 12.284 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.476 12.314 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.573 10.815 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.900 9.194 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.443 8.957 2.367 1.00 0.00 H new ATOM 482 N TRP A 30 -11.793 13.503 5.491 1.00 0.00 N ATOM 483 CA TRP A 30 -11.531 14.240 6.715 1.00 0.00 C ATOM 484 C TRP A 30 -12.875 14.565 7.369 1.00 0.00 C ATOM 485 O TRP A 30 -12.935 15.339 8.323 1.00 0.00 O ATOM 486 CB TRP A 30 -10.686 15.484 6.435 1.00 0.00 C ATOM 487 CG TRP A 30 -9.178 15.252 6.553 1.00 0.00 C ATOM 488 CD1 TRP A 30 -8.287 15.099 5.564 1.00 0.00 C ATOM 489 CD2 TRP A 30 -8.416 15.153 7.775 1.00 0.00 C ATOM 490 NE1 TRP A 30 -7.012 14.909 6.056 1.00 0.00 N ATOM 491 CE2 TRP A 30 -7.093 14.942 7.443 1.00 0.00 C ATOM 492 CE3 TRP A 30 -8.831 15.238 9.115 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -6.078 14.799 8.396 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -7.804 15.093 10.056 1.00 0.00 C ATOM 495 CH2 TRP A 30 -6.468 14.880 9.738 1.00 0.00 C ATOM 0 H TRP A 30 -11.486 12.530 5.504 1.00 0.00 H new ATOM 0 HA TRP A 30 -10.943 13.639 7.409 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -10.910 15.844 5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -10.977 16.272 7.129 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -8.536 15.122 4.513 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.166 14.770 5.504 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -9.861 15.402 9.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.049 14.635 8.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -8.069 15.151 11.101 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.734 14.777 10.523 1.00 0.00 H new ATOM 506 N THR A 31 -13.922 13.957 6.830 1.00 0.00 N ATOM 507 CA THR A 31 -15.262 14.172 7.349 1.00 0.00 C ATOM 508 C THR A 31 -15.632 13.069 8.343 1.00 0.00 C ATOM 509 O THR A 31 -16.043 13.354 9.467 1.00 0.00 O ATOM 510 CB THR A 31 -16.220 14.265 6.160 1.00 0.00 C ATOM 511 OG1 THR A 31 -16.514 15.655 6.059 1.00 0.00 O ATOM 512 CG2 THR A 31 -17.576 13.617 6.449 1.00 0.00 C ATOM 0 H THR A 31 -13.869 13.315 6.039 1.00 0.00 H new ATOM 0 HA THR A 31 -15.325 15.105 7.909 1.00 0.00 H new ATOM 0 HB THR A 31 -15.767 13.788 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.129 15.806 5.311 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.218 13.711 5.573 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.433 12.562 6.683 1.00 0.00 H new ATOM 0 HG23 THR A 31 -18.044 14.116 7.297 1.00 0.00 H new ATOM 520 N LEU A 32 -15.473 11.833 7.893 1.00 0.00 N ATOM 521 CA LEU A 32 -15.785 10.687 8.729 1.00 0.00 C ATOM 522 C LEU A 32 -15.036 10.810 10.058 1.00 0.00 C ATOM 523 O LEU A 32 -15.384 10.148 11.035 1.00 0.00 O ATOM 524 CB LEU A 32 -15.497 9.384 7.981 1.00 0.00 C ATOM 525 CG LEU A 32 -14.071 8.844 8.097 1.00 0.00 C ATOM 526 CD1 LEU A 32 -13.758 8.425 9.535 1.00 0.00 C ATOM 527 CD2 LEU A 32 -13.832 7.705 7.103 1.00 0.00 C ATOM 0 H LEU A 32 -15.132 11.600 6.960 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.849 10.666 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.184 8.620 8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.721 9.537 6.925 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.381 9.647 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.738 8.045 9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.860 9.286 10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.453 7.645 9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.810 7.340 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.530 6.893 7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.985 8.070 6.087 1.00 0.00 H new ATOM 539 N ILE A 33 -14.022 11.663 10.052 1.00 0.00 N ATOM 540 CA ILE A 33 -13.221 11.882 11.244 1.00 0.00 C ATOM 541 C ILE A 33 -13.815 13.042 12.046 1.00 0.00 C ATOM 542 O ILE A 33 -14.160 12.880 13.216 1.00 0.00 O ATOM 543 CB ILE A 33 -11.750 12.081 10.873 1.00 0.00 C ATOM 544 CG1 ILE A 33 -11.200 10.857 10.138 1.00 0.00 C ATOM 545 CG2 ILE A 33 -10.916 12.433 12.106 1.00 0.00 C ATOM 546 CD1 ILE A 33 -11.468 10.953 8.635 1.00 0.00 C ATOM 0 H ILE A 33 -13.737 12.211 9.240 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.247 11.002 11.887 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.682 12.926 10.187 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.128 10.774 10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.660 9.952 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.875 12.569 11.814 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.292 13.355 12.549 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.986 11.626 12.835 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -11.067 10.070 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -12.542 11.012 8.460 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.986 11.845 8.236 1.00 0.00 H new ATOM 558 N ALA A 34 -13.917 14.186 11.385 1.00 0.00 N ATOM 559 CA ALA A 34 -14.464 15.372 12.022 1.00 0.00 C ATOM 560 C ALA A 34 -15.989 15.262 12.072 1.00 0.00 C ATOM 561 O ALA A 34 -16.674 16.224 12.415 1.00 0.00 O ATOM 562 CB ALA A 34 -13.994 16.618 11.269 1.00 0.00 C ATOM 0 H ALA A 34 -13.630 14.317 10.415 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.106 15.456 13.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.404 17.508 11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.905 16.665 11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.337 16.570 10.236 1.00 0.00 H new ATOM 568 N LYS A 35 -16.477 14.079 11.726 1.00 0.00 N ATOM 569 CA LYS A 35 -17.908 13.831 11.727 1.00 0.00 C ATOM 570 C LYS A 35 -18.232 12.744 12.754 1.00 0.00 C ATOM 571 O LYS A 35 -19.271 12.796 13.411 1.00 0.00 O ATOM 572 CB LYS A 35 -18.397 13.506 10.314 1.00 0.00 C ATOM 573 CG LYS A 35 -19.926 13.489 10.253 1.00 0.00 C ATOM 574 CD LYS A 35 -20.420 12.549 9.151 1.00 0.00 C ATOM 575 CE LYS A 35 -20.399 11.093 9.622 1.00 0.00 C ATOM 576 NZ LYS A 35 -21.766 10.525 9.608 1.00 0.00 N ATOM 0 H LYS A 35 -15.906 13.282 11.443 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.449 14.728 12.029 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.010 14.245 9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.006 12.537 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.328 13.171 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.298 14.497 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.433 12.826 8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.792 12.658 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.748 10.505 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.985 11.036 10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.735 9.537 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.378 11.077 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.147 10.562 8.641 1.00 0.00 H new ATOM 590 N HIS A 36 -17.323 11.786 12.861 1.00 0.00 N ATOM 591 CA HIS A 36 -17.499 10.689 13.798 1.00 0.00 C ATOM 592 C HIS A 36 -16.996 11.109 15.180 1.00 0.00 C ATOM 593 O HIS A 36 -17.603 10.770 16.195 1.00 0.00 O ATOM 594 CB HIS A 36 -16.820 9.419 13.280 1.00 0.00 C ATOM 595 CG HIS A 36 -17.413 8.885 11.999 1.00 0.00 C ATOM 596 ND1 HIS A 36 -17.806 9.528 10.862 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -17.660 7.539 11.791 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -18.267 8.624 10.006 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -18.177 7.390 10.581 1.00 0.00 N flip ATOM 0 H HIS A 36 -16.463 11.747 12.315 1.00 0.00 H new ATOM 0 HA HIS A 36 -18.559 10.452 13.892 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.762 9.624 13.120 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.883 8.647 14.047 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -17.464 6.745 12.496 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -18.650 8.831 9.018 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -18.459 6.508 10.154 1.00 0.00 H new ATOM 607 N LEU A 37 -15.891 11.841 15.176 1.00 0.00 N ATOM 608 CA LEU A 37 -15.300 12.311 16.417 1.00 0.00 C ATOM 609 C LEU A 37 -15.476 13.827 16.519 1.00 0.00 C ATOM 610 O LEU A 37 -14.813 14.582 15.810 1.00 0.00 O ATOM 611 CB LEU A 37 -13.844 11.852 16.524 1.00 0.00 C ATOM 612 CG LEU A 37 -13.498 10.545 15.808 1.00 0.00 C ATOM 613 CD1 LEU A 37 -12.007 10.227 15.937 1.00 0.00 C ATOM 614 CD2 LEU A 37 -14.375 9.396 16.310 1.00 0.00 C ATOM 0 H LEU A 37 -15.390 12.120 14.333 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.812 11.872 17.273 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.205 12.641 16.127 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.595 11.742 17.580 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.709 10.671 14.746 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.788 9.293 15.419 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.423 11.033 15.493 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.746 10.128 16.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.109 8.479 15.785 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.219 9.260 17.380 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.423 9.630 16.123 1.00 0.00 H new ATOM 626 N LYS A 38 -16.374 14.227 17.408 1.00 0.00 N ATOM 627 CA LYS A 38 -16.646 15.640 17.612 1.00 0.00 C ATOM 628 C LYS A 38 -15.717 16.182 18.700 1.00 0.00 C ATOM 629 O LYS A 38 -14.622 15.660 18.903 1.00 0.00 O ATOM 630 CB LYS A 38 -18.131 15.863 17.904 1.00 0.00 C ATOM 631 CG LYS A 38 -18.508 15.313 19.282 1.00 0.00 C ATOM 632 CD LYS A 38 -19.815 14.520 19.217 1.00 0.00 C ATOM 633 CE LYS A 38 -20.572 14.603 20.544 1.00 0.00 C ATOM 634 NZ LYS A 38 -21.648 15.616 20.465 1.00 0.00 N ATOM 0 H LYS A 38 -16.922 13.598 17.995 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.436 16.204 16.703 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.358 16.928 17.859 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.733 15.376 17.137 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.708 14.673 19.653 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.612 16.135 19.990 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.440 14.907 18.413 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.601 13.478 18.981 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.998 13.630 20.788 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.882 14.859 21.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -22.152 15.659 21.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.234 16.546 20.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.316 15.355 19.711 1.00 0.00 H new ATOM 648 N GLY A 39 -16.189 17.222 19.372 1.00 0.00 N ATOM 649 CA GLY A 39 -15.414 17.840 20.435 1.00 0.00 C ATOM 650 C GLY A 39 -14.401 18.836 19.867 1.00 0.00 C ATOM 651 O GLY A 39 -14.318 19.973 20.328 1.00 0.00 O ATOM 0 H GLY A 39 -17.098 17.652 19.201 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.083 18.351 21.128 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.893 17.071 21.004 1.00 0.00 H new ATOM 655 N ARG A 40 -13.657 18.373 18.873 1.00 0.00 N ATOM 656 CA ARG A 40 -12.653 19.209 18.237 1.00 0.00 C ATOM 657 C ARG A 40 -12.484 18.812 16.770 1.00 0.00 C ATOM 658 O ARG A 40 -13.220 17.967 16.262 1.00 0.00 O ATOM 659 CB ARG A 40 -11.305 19.089 18.950 1.00 0.00 C ATOM 660 CG ARG A 40 -11.344 19.775 20.317 1.00 0.00 C ATOM 661 CD ARG A 40 -11.526 18.750 21.439 1.00 0.00 C ATOM 662 NE ARG A 40 -10.272 18.621 22.214 1.00 0.00 N ATOM 663 CZ ARG A 40 -9.647 19.646 22.808 1.00 0.00 C ATOM 664 NH1 ARG A 40 -10.155 20.883 22.719 1.00 0.00 N ATOM 665 NH2 ARG A 40 -8.513 19.436 23.491 1.00 0.00 N ATOM 0 H ARG A 40 -13.730 17.429 18.492 1.00 0.00 H new ATOM 0 HA ARG A 40 -12.993 20.243 18.300 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.048 18.037 19.074 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.524 19.538 18.336 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.421 20.332 20.475 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.160 20.497 20.343 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.339 19.058 22.096 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.805 17.784 21.019 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.857 17.693 22.301 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.018 21.044 22.199 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.679 21.664 23.171 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.125 18.495 23.559 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.038 20.217 23.943 1.00 0.00 H new ATOM 679 N LEU A 41 -11.509 19.439 16.128 1.00 0.00 N ATOM 680 CA LEU A 41 -11.233 19.162 14.729 1.00 0.00 C ATOM 681 C LEU A 41 -10.777 17.709 14.582 1.00 0.00 C ATOM 682 O LEU A 41 -10.695 16.977 15.568 1.00 0.00 O ATOM 683 CB LEU A 41 -10.238 20.179 14.167 1.00 0.00 C ATOM 684 CG LEU A 41 -10.846 21.418 13.506 1.00 0.00 C ATOM 685 CD1 LEU A 41 -11.431 21.076 12.134 1.00 0.00 C ATOM 686 CD2 LEU A 41 -11.880 22.076 14.422 1.00 0.00 C ATOM 0 H LEU A 41 -10.900 20.139 16.552 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.138 19.274 14.133 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.587 20.507 14.978 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.607 19.674 13.436 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.050 22.145 13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.857 21.974 11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.643 20.687 11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.211 20.323 12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.297 22.954 13.929 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.679 21.367 14.637 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.401 22.377 15.354 1.00 0.00 H new ATOM 698 N GLY A 42 -10.492 17.334 13.344 1.00 0.00 N ATOM 699 CA GLY A 42 -10.046 15.982 13.055 1.00 0.00 C ATOM 700 C GLY A 42 -8.981 15.530 14.056 1.00 0.00 C ATOM 701 O GLY A 42 -8.499 16.329 14.858 1.00 0.00 O ATOM 0 H GLY A 42 -10.561 17.943 12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.895 15.300 13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.642 15.937 12.044 1.00 0.00 H new ATOM 705 N LYS A 43 -8.644 14.251 13.977 1.00 0.00 N ATOM 706 CA LYS A 43 -7.645 13.684 14.866 1.00 0.00 C ATOM 707 C LYS A 43 -6.291 13.658 14.154 1.00 0.00 C ATOM 708 O LYS A 43 -5.594 12.645 14.174 1.00 0.00 O ATOM 709 CB LYS A 43 -8.097 12.314 15.376 1.00 0.00 C ATOM 710 CG LYS A 43 -7.312 11.907 16.624 1.00 0.00 C ATOM 711 CD LYS A 43 -7.838 12.633 17.864 1.00 0.00 C ATOM 712 CE LYS A 43 -6.817 12.583 19.003 1.00 0.00 C ATOM 713 NZ LYS A 43 -5.840 13.687 18.872 1.00 0.00 N ATOM 0 H LYS A 43 -9.045 13.591 13.311 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.528 14.306 15.753 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.162 12.341 15.605 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.957 11.567 14.595 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.387 10.829 16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.256 12.137 16.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.060 13.671 17.615 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.773 12.176 18.188 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.330 12.655 19.962 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.296 11.625 18.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.155 13.638 19.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.338 13.601 17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.340 14.599 18.906 1.00 0.00 H new ATOM 727 N GLN A 44 -5.958 14.786 13.542 1.00 0.00 N ATOM 728 CA GLN A 44 -4.700 14.905 12.826 1.00 0.00 C ATOM 729 C GLN A 44 -4.338 13.574 12.163 1.00 0.00 C ATOM 730 O GLN A 44 -3.164 13.215 12.085 1.00 0.00 O ATOM 731 CB GLN A 44 -3.581 15.376 13.757 1.00 0.00 C ATOM 732 CG GLN A 44 -2.347 15.803 12.960 1.00 0.00 C ATOM 733 CD GLN A 44 -1.582 16.912 13.686 1.00 0.00 C ATOM 734 OE1 GLN A 44 -1.612 17.030 14.900 1.00 0.00 O ATOM 735 NE2 GLN A 44 -0.897 17.715 12.877 1.00 0.00 N ATOM 0 H GLN A 44 -6.538 15.625 13.528 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.819 15.657 12.046 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.934 16.211 14.362 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.314 14.574 14.445 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.693 14.944 12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.650 16.152 11.973 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.915 17.560 11.869 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.353 18.486 13.264 1.00 0.00 H new ATOM 744 N CYS A 45 -5.368 12.880 11.703 1.00 0.00 N ATOM 745 CA CYS A 45 -5.173 11.597 11.049 1.00 0.00 C ATOM 746 C CYS A 45 -3.954 11.705 10.131 1.00 0.00 C ATOM 747 O CYS A 45 -3.160 10.771 10.034 1.00 0.00 O ATOM 748 CB CYS A 45 -6.424 11.154 10.287 1.00 0.00 C ATOM 749 SG CYS A 45 -7.371 9.948 11.286 1.00 0.00 S ATOM 0 H CYS A 45 -6.340 13.181 11.770 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.994 10.828 11.800 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.047 12.019 10.060 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.140 10.706 9.334 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.360 8.791 10.694 1.00 0.00 H new ATOM 755 N ARG A 46 -3.844 12.854 9.481 1.00 0.00 N ATOM 756 CA ARG A 46 -2.735 13.097 8.574 1.00 0.00 C ATOM 757 C ARG A 46 -1.421 12.632 9.205 1.00 0.00 C ATOM 758 O ARG A 46 -0.768 11.726 8.690 1.00 0.00 O ATOM 759 CB ARG A 46 -2.626 14.583 8.222 1.00 0.00 C ATOM 760 CG ARG A 46 -2.923 14.819 6.740 1.00 0.00 C ATOM 761 CD ARG A 46 -2.143 16.023 6.209 1.00 0.00 C ATOM 762 NE ARG A 46 -0.717 15.668 6.041 1.00 0.00 N ATOM 763 CZ ARG A 46 0.194 16.468 5.470 1.00 0.00 C ATOM 764 NH1 ARG A 46 -0.168 17.673 5.008 1.00 0.00 N ATOM 765 NH2 ARG A 46 1.467 16.063 5.359 1.00 0.00 N ATOM 0 H ARG A 46 -4.504 13.627 9.564 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.924 12.532 7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.323 15.157 8.832 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.625 14.944 8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.661 13.930 6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.992 14.984 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.561 16.345 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.239 16.862 6.899 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.408 14.757 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.137 17.981 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.525 18.282 4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.743 15.146 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.160 16.672 4.924 1.00 0.00 H new ATOM 779 N GLU A 47 -1.073 13.274 10.311 1.00 0.00 N ATOM 780 CA GLU A 47 0.151 12.937 11.018 1.00 0.00 C ATOM 781 C GLU A 47 0.091 11.495 11.526 1.00 0.00 C ATOM 782 O GLU A 47 -0.079 11.261 12.722 1.00 0.00 O ATOM 783 CB GLU A 47 0.407 13.913 12.167 1.00 0.00 C ATOM 784 CG GLU A 47 1.884 13.915 12.567 1.00 0.00 C ATOM 785 CD GLU A 47 2.041 13.786 14.084 1.00 0.00 C ATOM 786 OE1 GLU A 47 1.916 12.642 14.572 1.00 0.00 O ATOM 787 OE2 GLU A 47 2.283 14.834 14.720 1.00 0.00 O ATOM 0 H GLU A 47 -1.617 14.025 10.735 1.00 0.00 H new ATOM 0 HA GLU A 47 0.985 13.021 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.106 14.917 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.205 13.638 13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.399 13.091 12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.356 14.837 12.226 1.00 0.00 H new ATOM 794 N ARG A 48 0.234 10.566 10.593 1.00 0.00 N ATOM 795 CA ARG A 48 0.198 9.153 10.931 1.00 0.00 C ATOM 796 C ARG A 48 0.444 8.302 9.684 1.00 0.00 C ATOM 797 O ARG A 48 1.394 7.521 9.640 1.00 0.00 O ATOM 798 CB ARG A 48 -1.150 8.768 11.545 1.00 0.00 C ATOM 799 CG ARG A 48 -1.325 7.248 11.574 1.00 0.00 C ATOM 800 CD ARG A 48 -0.164 6.577 12.311 1.00 0.00 C ATOM 801 NE ARG A 48 -0.398 6.622 13.771 1.00 0.00 N ATOM 802 CZ ARG A 48 -1.334 5.902 14.405 1.00 0.00 C ATOM 803 NH1 ARG A 48 -2.129 5.077 13.710 1.00 0.00 N ATOM 804 NH2 ARG A 48 -1.474 6.007 15.734 1.00 0.00 N ATOM 0 H ARG A 48 0.375 10.764 9.602 1.00 0.00 H new ATOM 0 HA ARG A 48 0.984 8.967 11.662 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.219 9.165 12.558 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.958 9.220 10.970 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.266 6.996 12.064 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.383 6.865 10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.063 5.543 11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.771 7.081 12.069 1.00 0.00 H new ATOM 0 HE ARG A 48 0.190 7.240 14.330 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.022 4.997 12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.841 4.529 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.868 6.635 16.263 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.186 5.459 16.217 1.00 0.00 H new ATOM 818 N TRP A 49 -0.427 8.481 8.702 1.00 0.00 N ATOM 819 CA TRP A 49 -0.315 7.739 7.458 1.00 0.00 C ATOM 820 C TRP A 49 0.099 8.719 6.359 1.00 0.00 C ATOM 821 O TRP A 49 0.619 8.311 5.322 1.00 0.00 O ATOM 822 CB TRP A 49 -1.617 7.001 7.141 1.00 0.00 C ATOM 823 CG TRP A 49 -2.880 7.766 7.544 1.00 0.00 C ATOM 824 CD1 TRP A 49 -3.101 9.086 7.479 1.00 0.00 C ATOM 825 CD2 TRP A 49 -4.094 7.199 8.080 1.00 0.00 C ATOM 826 NE1 TRP A 49 -4.364 9.410 7.932 1.00 0.00 N ATOM 827 CE2 TRP A 49 -4.987 8.226 8.309 1.00 0.00 C ATOM 828 CE3 TRP A 49 -4.427 5.862 8.362 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -6.270 8.024 8.830 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -5.714 5.677 8.882 1.00 0.00 C ATOM 831 CH2 TRP A 49 -6.624 6.701 9.119 1.00 0.00 C ATOM 0 H TRP A 49 -1.213 9.129 8.743 1.00 0.00 H new ATOM 0 HA TRP A 49 0.447 6.964 7.538 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.655 6.795 6.071 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.610 6.038 7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.381 9.806 7.118 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -4.766 10.346 7.981 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.744 5.043 8.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.951 8.845 9.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.021 4.668 9.115 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.600 6.477 9.524 1.00 0.00 H new ATOM 842 N HIS A 50 -0.146 9.994 6.623 1.00 0.00 N ATOM 843 CA HIS A 50 0.195 11.036 5.669 1.00 0.00 C ATOM 844 C HIS A 50 1.613 11.539 5.944 1.00 0.00 C ATOM 845 O HIS A 50 2.290 12.024 5.039 1.00 0.00 O ATOM 846 CB HIS A 50 -0.847 12.156 5.693 1.00 0.00 C ATOM 847 CG HIS A 50 -2.013 11.930 4.760 1.00 0.00 C ATOM 848 ND1 HIS A 50 -3.357 12.022 4.975 1.00 0.00 N flip ATOM 849 CD2 HIS A 50 -1.853 11.563 3.435 1.00 0.00 C flip ATOM 850 CE1 HIS A 50 -3.984 11.729 3.843 1.00 0.00 C flip ATOM 851 NE2 HIS A 50 -3.053 11.443 2.887 1.00 0.00 N flip ATOM 0 H HIS A 50 -0.577 10.329 7.485 1.00 0.00 H new ATOM 0 HA HIS A 50 0.181 10.628 4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.224 12.266 6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.361 13.096 5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.910 11.402 2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.055 11.719 3.701 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.247 11.183 1.920 1.00 0.00 H new ATOM 859 N ASN A 51 2.021 11.406 7.198 1.00 0.00 N ATOM 860 CA ASN A 51 3.347 11.841 7.604 1.00 0.00 C ATOM 861 C ASN A 51 4.218 10.614 7.885 1.00 0.00 C ATOM 862 O ASN A 51 5.276 10.728 8.502 1.00 0.00 O ATOM 863 CB ASN A 51 3.284 12.679 8.882 1.00 0.00 C ATOM 864 CG ASN A 51 2.481 13.962 8.657 1.00 0.00 C ATOM 865 OD1 ASN A 51 1.306 13.767 8.065 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 2.900 15.055 8.999 1.00 0.00 N flip ATOM 0 H ASN A 51 1.457 11.003 7.946 1.00 0.00 H new ATOM 0 HA ASN A 51 3.766 12.443 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.828 12.096 9.682 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.294 12.930 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.812 15.134 9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.339 15.891 8.835 1.00 0.00 H new ATOM 873 N HIS A 52 3.740 9.470 7.419 1.00 0.00 N ATOM 874 CA HIS A 52 4.462 8.224 7.612 1.00 0.00 C ATOM 875 C HIS A 52 5.626 8.146 6.623 1.00 0.00 C ATOM 876 O HIS A 52 6.778 7.994 7.025 1.00 0.00 O ATOM 877 CB HIS A 52 3.515 7.026 7.509 1.00 0.00 C ATOM 878 CG HIS A 52 3.663 6.028 8.632 1.00 0.00 C ATOM 879 ND1 HIS A 52 3.601 6.193 9.985 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 3.905 4.683 8.414 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 3.793 5.013 10.561 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 3.982 4.075 9.588 1.00 0.00 N flip ATOM 0 H HIS A 52 2.862 9.380 6.908 1.00 0.00 H new ATOM 0 HA HIS A 52 4.883 8.196 8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.487 7.389 7.492 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.690 6.518 6.560 1.00 0.00 H new ATOM 0 HD1 HIS A 52 3.435 7.074 10.471 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.013 4.209 7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.799 4.826 11.625 1.00 0.00 H new ATOM 890 N LEU A 53 5.285 8.253 5.347 1.00 0.00 N ATOM 891 CA LEU A 53 6.287 8.197 4.297 1.00 0.00 C ATOM 892 C LEU A 53 6.587 6.734 3.961 1.00 0.00 C ATOM 893 O LEU A 53 7.560 6.167 4.455 1.00 0.00 O ATOM 894 CB LEU A 53 7.526 9.002 4.695 1.00 0.00 C ATOM 895 CG LEU A 53 8.222 9.765 3.566 1.00 0.00 C ATOM 896 CD1 LEU A 53 8.854 11.057 4.085 1.00 0.00 C ATOM 897 CD2 LEU A 53 9.240 8.875 2.850 1.00 0.00 C ATOM 0 H LEU A 53 4.328 8.378 5.017 1.00 0.00 H new ATOM 0 HA LEU A 53 5.910 8.663 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.238 9.717 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.248 8.321 5.145 1.00 0.00 H new ATOM 0 HG LEU A 53 7.469 10.049 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.342 11.580 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.080 11.695 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.591 10.819 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.721 9.441 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.994 8.539 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.731 8.010 2.425 1.00 0.00 H new ATOM 909 N ASN A 54 5.732 6.166 3.124 1.00 0.00 N ATOM 910 CA ASN A 54 5.892 4.780 2.716 1.00 0.00 C ATOM 911 C ASN A 54 5.522 4.642 1.238 1.00 0.00 C ATOM 912 O ASN A 54 4.526 4.003 0.901 1.00 0.00 O ATOM 913 CB ASN A 54 4.974 3.859 3.522 1.00 0.00 C ATOM 914 CG ASN A 54 4.969 2.445 2.940 1.00 0.00 C ATOM 915 OD1 ASN A 54 5.926 1.990 2.336 1.00 0.00 O ATOM 916 ND2 ASN A 54 3.839 1.776 3.154 1.00 0.00 N ATOM 0 H ASN A 54 4.926 6.640 2.717 1.00 0.00 H new ATOM 0 HA ASN A 54 6.930 4.495 2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.305 3.828 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.960 4.260 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.736 0.823 2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.075 2.216 3.668 1.00 0.00 H new ATOM 923 N PRO A 55 6.365 5.267 0.373 1.00 0.00 N ATOM 924 CA PRO A 55 6.136 5.220 -1.061 1.00 0.00 C ATOM 925 C PRO A 55 6.511 3.850 -1.631 1.00 0.00 C ATOM 926 O PRO A 55 6.544 2.859 -0.904 1.00 0.00 O ATOM 927 CB PRO A 55 6.977 6.351 -1.631 1.00 0.00 C ATOM 928 CG PRO A 55 8.000 6.691 -0.559 1.00 0.00 C ATOM 929 CD PRO A 55 7.554 6.033 0.736 1.00 0.00 C ATOM 0 HA PRO A 55 5.086 5.351 -1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.467 6.046 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.358 7.216 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.989 6.334 -0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.076 7.771 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.333 5.387 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.328 6.776 1.500 1.00 0.00 H new ATOM 937 N GLU A 56 6.785 3.839 -2.927 1.00 0.00 N ATOM 938 CA GLU A 56 7.156 2.608 -3.603 1.00 0.00 C ATOM 939 C GLU A 56 8.604 2.239 -3.276 1.00 0.00 C ATOM 940 O GLU A 56 9.204 2.810 -2.367 1.00 0.00 O ATOM 941 CB GLU A 56 6.949 2.728 -5.114 1.00 0.00 C ATOM 942 CG GLU A 56 5.872 1.755 -5.599 1.00 0.00 C ATOM 943 CD GLU A 56 6.374 0.311 -5.549 1.00 0.00 C ATOM 944 OE1 GLU A 56 7.606 0.135 -5.666 1.00 0.00 O ATOM 945 OE2 GLU A 56 5.515 -0.584 -5.396 1.00 0.00 O ATOM 0 H GLU A 56 6.757 4.663 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 56 6.507 1.809 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.662 3.749 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.887 2.525 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.981 1.855 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.582 2.008 -6.619 1.00 0.00 H new ATOM 952 N VAL A 57 9.124 1.285 -4.035 1.00 0.00 N ATOM 953 CA VAL A 57 10.491 0.832 -3.837 1.00 0.00 C ATOM 954 C VAL A 57 11.455 1.962 -4.202 1.00 0.00 C ATOM 955 O VAL A 57 12.625 1.932 -3.823 1.00 0.00 O ATOM 956 CB VAL A 57 10.739 -0.448 -4.636 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.236 -0.678 -4.851 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.091 -1.655 -3.954 1.00 0.00 C ATOM 0 H VAL A 57 8.623 0.813 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 57 10.664 0.583 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 57 10.274 -0.327 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.385 -1.595 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.658 0.164 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.733 -0.767 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.283 -2.552 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.513 -1.779 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.016 -1.495 -3.876 1.00 0.00 H new ATOM 968 N LYS A 58 10.929 2.932 -4.935 1.00 0.00 N ATOM 969 CA LYS A 58 11.729 4.070 -5.357 1.00 0.00 C ATOM 970 C LYS A 58 11.029 4.777 -6.519 1.00 0.00 C ATOM 971 O LYS A 58 11.673 5.163 -7.493 1.00 0.00 O ATOM 972 CB LYS A 58 13.159 3.631 -5.676 1.00 0.00 C ATOM 973 CG LYS A 58 14.102 3.948 -4.513 1.00 0.00 C ATOM 974 CD LYS A 58 15.029 5.115 -4.862 1.00 0.00 C ATOM 975 CE LYS A 58 15.960 5.444 -3.693 1.00 0.00 C ATOM 976 NZ LYS A 58 17.190 4.625 -3.764 1.00 0.00 N ATOM 0 H LYS A 58 9.958 2.954 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 58 11.816 4.795 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.177 2.561 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.506 4.136 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.520 4.194 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.696 3.067 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.620 4.864 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.435 5.993 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.219 6.503 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.447 5.260 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.811 4.861 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.939 3.617 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.687 4.821 -4.657 1.00 0.00 H new ATOM 990 N LYS A 59 9.720 4.926 -6.378 1.00 0.00 N ATOM 991 CA LYS A 59 8.926 5.580 -7.404 1.00 0.00 C ATOM 992 C LYS A 59 9.457 5.184 -8.783 1.00 0.00 C ATOM 993 O LYS A 59 9.044 4.171 -9.343 1.00 0.00 O ATOM 994 CB LYS A 59 8.889 7.092 -7.170 1.00 0.00 C ATOM 995 CG LYS A 59 7.503 7.540 -6.703 1.00 0.00 C ATOM 996 CD LYS A 59 7.120 6.858 -5.388 1.00 0.00 C ATOM 997 CE LYS A 59 5.669 6.374 -5.424 1.00 0.00 C ATOM 998 NZ LYS A 59 4.742 7.495 -5.148 1.00 0.00 N ATOM 0 H LYS A 59 9.189 4.605 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 59 7.889 5.247 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.635 7.367 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.153 7.613 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.492 8.622 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.764 7.304 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.784 6.013 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.254 7.554 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.447 5.943 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.524 5.585 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.761 7.150 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.944 7.888 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.869 8.236 -5.867 1.00 0.00 H new ATOM 1012 N SER A 60 10.365 6.005 -9.290 1.00 0.00 N ATOM 1013 CA SER A 60 10.957 5.753 -10.593 1.00 0.00 C ATOM 1014 C SER A 60 12.092 4.735 -10.465 1.00 0.00 C ATOM 1015 O SER A 60 13.259 5.075 -10.650 1.00 0.00 O ATOM 1016 CB SER A 60 11.474 7.048 -11.223 1.00 0.00 C ATOM 1017 OG SER A 60 10.714 7.426 -12.367 1.00 0.00 O ATOM 0 H SER A 60 10.705 6.845 -8.822 1.00 0.00 H new ATOM 0 HA SER A 60 10.185 5.346 -11.246 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.440 7.849 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.518 6.921 -11.508 1.00 0.00 H new ATOM 0 HG SER A 60 11.074 8.258 -12.739 1.00 0.00 H new ATOM 1023 N SER A 61 11.709 3.507 -10.148 1.00 0.00 N ATOM 1024 CA SER A 61 12.680 2.437 -9.993 1.00 0.00 C ATOM 1025 C SER A 61 11.962 1.089 -9.896 1.00 0.00 C ATOM 1026 O SER A 61 10.839 0.944 -10.378 1.00 0.00 O ATOM 1027 CB SER A 61 13.554 2.662 -8.758 1.00 0.00 C ATOM 1028 OG SER A 61 14.032 4.002 -8.679 1.00 0.00 O ATOM 0 H SER A 61 10.740 3.229 -9.994 1.00 0.00 H new ATOM 0 HA SER A 61 13.329 2.434 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.981 2.428 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.401 1.976 -8.783 1.00 0.00 H new ATOM 0 HG SER A 61 14.153 4.360 -9.583 1.00 0.00 H new ATOM 1034 N TRP A 62 12.640 0.137 -9.272 1.00 0.00 N ATOM 1035 CA TRP A 62 12.081 -1.194 -9.106 1.00 0.00 C ATOM 1036 C TRP A 62 10.815 -1.073 -8.255 1.00 0.00 C ATOM 1037 O TRP A 62 10.493 0.009 -7.766 1.00 0.00 O ATOM 1038 CB TRP A 62 13.114 -2.151 -8.508 1.00 0.00 C ATOM 1039 CG TRP A 62 14.432 -2.207 -9.282 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.543 -1.488 -9.072 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.734 -3.060 -10.406 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.535 -1.814 -9.974 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.028 -2.800 -10.811 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.941 -4.020 -11.059 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.642 -3.458 -11.884 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.569 -4.668 -12.129 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.870 -4.418 -12.549 1.00 0.00 C ATOM 0 H TRP A 62 13.571 0.261 -8.875 1.00 0.00 H new ATOM 0 HA TRP A 62 11.811 -1.622 -10.071 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.320 -1.851 -7.481 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.686 -3.152 -8.467 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.649 -0.746 -8.294 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.469 -1.406 -10.018 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.927 -4.240 -10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.656 -3.237 -12.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.003 -5.415 -12.666 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.284 -4.962 -13.385 1.00 0.00 H new ATOM 1058 N THR A 63 10.131 -2.198 -8.106 1.00 0.00 N ATOM 1059 CA THR A 63 8.908 -2.231 -7.322 1.00 0.00 C ATOM 1060 C THR A 63 8.926 -3.417 -6.355 1.00 0.00 C ATOM 1061 O THR A 63 9.969 -4.033 -6.143 1.00 0.00 O ATOM 1062 CB THR A 63 7.726 -2.257 -8.293 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.231 -2.939 -9.438 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.368 -0.865 -8.818 1.00 0.00 C ATOM 0 H THR A 63 10.400 -3.093 -8.515 1.00 0.00 H new ATOM 0 HA THR A 63 8.815 -1.343 -6.696 1.00 0.00 H new ATOM 0 HB THR A 63 6.859 -2.692 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.753 -2.635 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.523 -0.941 -9.503 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.101 -0.218 -7.982 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.225 -0.443 -9.344 1.00 0.00 H new ATOM 1072 N GLU A 64 7.759 -3.700 -5.795 1.00 0.00 N ATOM 1073 CA GLU A 64 7.628 -4.801 -4.856 1.00 0.00 C ATOM 1074 C GLU A 64 7.707 -6.139 -5.592 1.00 0.00 C ATOM 1075 O GLU A 64 8.750 -6.792 -5.590 1.00 0.00 O ATOM 1076 CB GLU A 64 6.326 -4.689 -4.060 1.00 0.00 C ATOM 1077 CG GLU A 64 6.536 -3.884 -2.775 1.00 0.00 C ATOM 1078 CD GLU A 64 6.629 -4.807 -1.559 1.00 0.00 C ATOM 1079 OE1 GLU A 64 7.611 -5.579 -1.506 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.717 -4.720 -0.709 1.00 0.00 O ATOM 0 H GLU A 64 6.896 -3.186 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 64 8.455 -4.750 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.561 -4.211 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.960 -5.685 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.448 -3.292 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.712 -3.183 -2.642 1.00 0.00 H new ATOM 1087 N GLU A 65 6.592 -6.509 -6.204 1.00 0.00 N ATOM 1088 CA GLU A 65 6.522 -7.758 -6.942 1.00 0.00 C ATOM 1089 C GLU A 65 7.778 -7.940 -7.798 1.00 0.00 C ATOM 1090 O GLU A 65 8.277 -9.054 -7.946 1.00 0.00 O ATOM 1091 CB GLU A 65 5.259 -7.817 -7.803 1.00 0.00 C ATOM 1092 CG GLU A 65 4.810 -6.413 -8.213 1.00 0.00 C ATOM 1093 CD GLU A 65 4.296 -6.400 -9.655 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.156 -6.872 -9.855 1.00 0.00 O ATOM 1095 OE2 GLU A 65 5.055 -5.919 -10.523 1.00 0.00 O ATOM 0 H GLU A 65 5.729 -5.965 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 65 6.472 -8.578 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.449 -8.417 -8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.460 -8.311 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.025 -6.068 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.643 -5.717 -8.114 1.00 0.00 H new ATOM 1102 N GLU A 66 8.252 -6.827 -8.339 1.00 0.00 N ATOM 1103 CA GLU A 66 9.440 -6.849 -9.176 1.00 0.00 C ATOM 1104 C GLU A 66 10.648 -7.331 -8.370 1.00 0.00 C ATOM 1105 O GLU A 66 11.502 -8.046 -8.892 1.00 0.00 O ATOM 1106 CB GLU A 66 9.703 -5.473 -9.790 1.00 0.00 C ATOM 1107 CG GLU A 66 8.860 -5.264 -11.050 1.00 0.00 C ATOM 1108 CD GLU A 66 9.698 -4.657 -12.177 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.828 -5.154 -12.374 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.190 -3.711 -12.815 1.00 0.00 O ATOM 0 H GLU A 66 7.835 -5.905 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 66 9.272 -7.549 -9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.473 -4.696 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.761 -5.377 -10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.443 -6.217 -11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.019 -4.609 -10.824 1.00 0.00 H new ATOM 1117 N ASP A 67 10.681 -6.919 -7.111 1.00 0.00 N ATOM 1118 CA ASP A 67 11.771 -7.299 -6.228 1.00 0.00 C ATOM 1119 C ASP A 67 11.680 -8.797 -5.929 1.00 0.00 C ATOM 1120 O ASP A 67 12.653 -9.529 -6.106 1.00 0.00 O ATOM 1121 CB ASP A 67 11.691 -6.546 -4.899 1.00 0.00 C ATOM 1122 CG ASP A 67 13.041 -6.217 -4.260 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.574 -7.111 -3.567 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.511 -5.080 -4.478 1.00 0.00 O ATOM 0 H ASP A 67 9.971 -6.326 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 67 12.709 -7.054 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.145 -5.616 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.109 -7.141 -4.196 1.00 0.00 H new ATOM 1129 N ARG A 68 10.503 -9.208 -5.481 1.00 0.00 N ATOM 1130 CA ARG A 68 10.273 -10.606 -5.155 1.00 0.00 C ATOM 1131 C ARG A 68 10.599 -11.492 -6.359 1.00 0.00 C ATOM 1132 O ARG A 68 11.460 -12.365 -6.276 1.00 0.00 O ATOM 1133 CB ARG A 68 8.820 -10.841 -4.736 1.00 0.00 C ATOM 1134 CG ARG A 68 8.676 -10.802 -3.213 1.00 0.00 C ATOM 1135 CD ARG A 68 8.086 -12.111 -2.685 1.00 0.00 C ATOM 1136 NE ARG A 68 9.026 -13.227 -2.933 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.784 -14.502 -2.598 1.00 0.00 C ATOM 1138 NH1 ARG A 68 7.631 -14.830 -1.999 1.00 0.00 N ATOM 1139 NH2 ARG A 68 9.695 -15.448 -2.862 1.00 0.00 N ATOM 0 H ARG A 68 9.698 -8.598 -5.336 1.00 0.00 H new ATOM 0 HA ARG A 68 10.926 -10.865 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.181 -10.081 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.481 -11.806 -5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.650 -10.628 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.035 -9.968 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.885 -12.024 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.132 -12.313 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 68 9.914 -13.012 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.938 -14.109 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.447 -15.800 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.573 -15.198 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.511 -16.418 -2.607 1.00 0.00 H new ATOM 1153 N ILE A 69 9.892 -11.235 -7.451 1.00 0.00 N ATOM 1154 CA ILE A 69 10.096 -11.999 -8.670 1.00 0.00 C ATOM 1155 C ILE A 69 11.592 -12.256 -8.862 1.00 0.00 C ATOM 1156 O ILE A 69 12.060 -13.379 -8.684 1.00 0.00 O ATOM 1157 CB ILE A 69 9.435 -11.297 -9.858 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.910 -11.359 -9.752 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.941 -11.869 -11.184 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.249 -10.610 -10.911 1.00 0.00 C ATOM 0 H ILE A 69 9.178 -10.509 -7.516 1.00 0.00 H new ATOM 0 HA ILE A 69 9.613 -12.973 -8.595 1.00 0.00 H new ATOM 0 HB ILE A 69 9.717 -10.244 -9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.584 -12.399 -9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.590 -10.926 -8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.455 -11.353 -12.012 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.020 -11.730 -11.252 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.709 -12.933 -11.234 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.165 -10.670 -10.812 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.558 -9.565 -10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.552 -11.061 -11.856 1.00 0.00 H new ATOM 1172 N ILE A 70 12.300 -11.196 -9.223 1.00 0.00 N ATOM 1173 CA ILE A 70 13.733 -11.292 -9.441 1.00 0.00 C ATOM 1174 C ILE A 70 14.365 -12.094 -8.301 1.00 0.00 C ATOM 1175 O ILE A 70 15.041 -13.094 -8.541 1.00 0.00 O ATOM 1176 CB ILE A 70 14.342 -9.901 -9.626 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.657 -9.150 -10.769 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.857 -9.987 -9.823 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.354 -7.816 -11.045 1.00 0.00 C ATOM 0 H ILE A 70 11.908 -10.266 -9.370 1.00 0.00 H new ATOM 0 HA ILE A 70 13.942 -11.831 -10.365 1.00 0.00 H new ATOM 0 HB ILE A 70 14.168 -9.328 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.668 -9.763 -11.670 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.611 -8.973 -10.517 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.265 -8.984 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.312 -10.454 -8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.075 -10.584 -10.708 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.847 -7.303 -11.862 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.320 -7.195 -10.150 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.393 -7.998 -11.320 1.00 0.00 H new ATOM 1191 N PHE A 71 14.124 -11.625 -7.086 1.00 0.00 N ATOM 1192 CA PHE A 71 14.661 -12.286 -5.909 1.00 0.00 C ATOM 1193 C PHE A 71 14.397 -13.792 -5.956 1.00 0.00 C ATOM 1194 O PHE A 71 15.073 -14.566 -5.281 1.00 0.00 O ATOM 1195 CB PHE A 71 13.942 -11.692 -4.695 1.00 0.00 C ATOM 1196 CG PHE A 71 13.879 -12.630 -3.489 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.039 -13.700 -3.501 1.00 0.00 C ATOM 1198 CD2 PHE A 71 14.664 -12.395 -2.403 1.00 0.00 C ATOM 1199 CE1 PHE A 71 12.981 -14.570 -2.381 1.00 0.00 C ATOM 1200 CE2 PHE A 71 14.606 -13.266 -1.283 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.766 -14.335 -1.296 1.00 0.00 C ATOM 0 H PHE A 71 13.564 -10.795 -6.891 1.00 0.00 H new ATOM 0 HA PHE A 71 15.739 -12.135 -5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.447 -10.772 -4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.927 -11.420 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.416 -13.888 -4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.331 -11.546 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.313 -15.419 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.229 -13.079 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.722 -14.998 -0.444 1.00 0.00 H new ATOM 1211 N GLU A 72 13.412 -14.162 -6.761 1.00 0.00 N ATOM 1212 CA GLU A 72 13.050 -15.562 -6.906 1.00 0.00 C ATOM 1213 C GLU A 72 13.700 -16.151 -8.159 1.00 0.00 C ATOM 1214 O GLU A 72 14.269 -17.241 -8.113 1.00 0.00 O ATOM 1215 CB GLU A 72 11.530 -15.734 -6.945 1.00 0.00 C ATOM 1216 CG GLU A 72 11.113 -16.675 -8.076 1.00 0.00 C ATOM 1217 CD GLU A 72 9.613 -16.970 -8.020 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.841 -15.987 -8.030 1.00 0.00 O ATOM 1219 OE2 GLU A 72 9.272 -18.172 -7.968 1.00 0.00 O ATOM 0 H GLU A 72 12.853 -13.517 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 72 13.422 -16.105 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.181 -16.129 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.054 -14.763 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.363 -16.227 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.673 -17.607 -8.003 1.00 0.00 H new ATOM 1226 N ALA A 73 13.594 -15.405 -9.249 1.00 0.00 N ATOM 1227 CA ALA A 73 14.165 -15.840 -10.512 1.00 0.00 C ATOM 1228 C ALA A 73 15.653 -16.142 -10.318 1.00 0.00 C ATOM 1229 O ALA A 73 16.249 -16.875 -11.105 1.00 0.00 O ATOM 1230 CB ALA A 73 13.921 -14.771 -11.578 1.00 0.00 C ATOM 0 H ALA A 73 13.121 -14.502 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 73 13.685 -16.757 -10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.350 -15.098 -12.526 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.849 -14.616 -11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.390 -13.837 -11.270 1.00 0.00 H new ATOM 1236 N HIS A 74 16.209 -15.560 -9.265 1.00 0.00 N ATOM 1237 CA HIS A 74 17.615 -15.757 -8.957 1.00 0.00 C ATOM 1238 C HIS A 74 17.811 -17.128 -8.306 1.00 0.00 C ATOM 1239 O HIS A 74 18.936 -17.613 -8.199 1.00 0.00 O ATOM 1240 CB HIS A 74 18.149 -14.611 -8.096 1.00 0.00 C ATOM 1241 CG HIS A 74 19.615 -14.316 -8.305 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.599 -14.758 -7.439 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.252 -13.621 -9.291 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.773 -14.341 -7.892 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.555 -13.636 -9.039 1.00 0.00 N ATOM 0 H HIS A 74 15.711 -14.952 -8.615 1.00 0.00 H new ATOM 0 HA HIS A 74 18.197 -15.744 -9.878 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.574 -13.710 -8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.984 -14.852 -7.046 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.777 -13.140 -10.133 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.733 -14.527 -7.434 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.275 -13.193 -9.610 1.00 0.00 H new ATOM 1253 N LYS A 75 16.698 -17.714 -7.889 1.00 0.00 N ATOM 1254 CA LYS A 75 16.733 -19.019 -7.252 1.00 0.00 C ATOM 1255 C LYS A 75 16.330 -20.089 -8.269 1.00 0.00 C ATOM 1256 O LYS A 75 16.117 -21.245 -7.907 1.00 0.00 O ATOM 1257 CB LYS A 75 15.876 -19.020 -5.985 1.00 0.00 C ATOM 1258 CG LYS A 75 14.505 -19.647 -6.251 1.00 0.00 C ATOM 1259 CD LYS A 75 13.577 -19.467 -5.048 1.00 0.00 C ATOM 1260 CE LYS A 75 12.684 -18.237 -5.224 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.292 -18.547 -4.829 1.00 0.00 N ATOM 0 H LYS A 75 15.766 -17.309 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 75 17.745 -19.256 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.386 -19.574 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.749 -17.998 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.057 -19.189 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.623 -20.709 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.958 -20.356 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.170 -19.364 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.065 -17.414 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.709 -17.908 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.819 -17.676 -4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.780 -18.944 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.297 -19.239 -4.053 1.00 0.00 H new ATOM 1275 N VAL A 76 16.237 -19.665 -9.521 1.00 0.00 N ATOM 1276 CA VAL A 76 15.863 -20.573 -10.592 1.00 0.00 C ATOM 1277 C VAL A 76 17.071 -20.805 -11.502 1.00 0.00 C ATOM 1278 O VAL A 76 17.214 -21.877 -12.088 1.00 0.00 O ATOM 1279 CB VAL A 76 14.647 -20.025 -11.341 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.797 -21.162 -11.911 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.811 -19.116 -10.438 1.00 0.00 C ATOM 0 H VAL A 76 16.414 -18.705 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 76 15.569 -21.542 -10.187 1.00 0.00 H new ATOM 0 HB VAL A 76 15.010 -19.426 -12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.939 -20.746 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.397 -21.753 -12.603 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.449 -21.799 -11.098 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.953 -18.740 -10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.463 -19.682 -9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.421 -18.278 -10.101 1.00 0.00 H new ATOM 1291 N LEU A 77 17.909 -19.783 -11.594 1.00 0.00 N ATOM 1292 CA LEU A 77 19.099 -19.862 -12.423 1.00 0.00 C ATOM 1293 C LEU A 77 20.302 -19.343 -11.632 1.00 0.00 C ATOM 1294 O LEU A 77 21.171 -20.119 -11.238 1.00 0.00 O ATOM 1295 CB LEU A 77 18.876 -19.135 -13.751 1.00 0.00 C ATOM 1296 CG LEU A 77 17.434 -19.093 -14.258 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.760 -17.771 -13.884 1.00 0.00 C ATOM 1298 CD2 LEU A 77 17.374 -19.361 -15.763 1.00 0.00 C ATOM 0 H LEU A 77 17.787 -18.895 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 77 19.313 -20.898 -12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 77 19.233 -18.111 -13.646 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.494 -19.612 -14.512 1.00 0.00 H new ATOM 0 HG LEU A 77 16.876 -19.890 -13.767 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.736 -17.767 -14.256 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.753 -17.660 -12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.311 -16.943 -14.329 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.337 -19.325 -16.098 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.952 -18.603 -16.291 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.790 -20.346 -15.974 1.00 0.00 H new ATOM 1310 N GLY A 78 20.313 -18.035 -11.424 1.00 0.00 N ATOM 1311 CA GLY A 78 21.394 -17.403 -10.688 1.00 0.00 C ATOM 1312 C GLY A 78 21.615 -15.966 -11.163 1.00 0.00 C ATOM 1313 O GLY A 78 20.722 -15.127 -11.052 1.00 0.00 O ATOM 0 H GLY A 78 19.590 -17.395 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.164 -17.406 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.311 -17.978 -10.817 1.00 0.00 H new ATOM 1317 N ASN A 79 22.810 -15.725 -11.683 1.00 0.00 N ATOM 1318 CA ASN A 79 23.160 -14.404 -12.176 1.00 0.00 C ATOM 1319 C ASN A 79 22.761 -14.291 -13.649 1.00 0.00 C ATOM 1320 O ASN A 79 23.286 -13.448 -14.375 1.00 0.00 O ATOM 1321 CB ASN A 79 24.666 -14.158 -12.074 1.00 0.00 C ATOM 1322 CG ASN A 79 25.410 -15.450 -11.727 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.224 -16.041 -10.677 1.00 0.00 O ATOM 1324 ND2 ASN A 79 26.260 -15.853 -12.667 1.00 0.00 N ATOM 0 H ASN A 79 23.548 -16.423 -11.773 1.00 0.00 H new ATOM 0 HA ASN A 79 22.633 -13.668 -11.569 1.00 0.00 H new ATOM 0 HB2 ASN A 79 25.038 -13.762 -13.019 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.864 -13.404 -11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.804 -16.705 -12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 79 26.368 -15.310 -13.524 1.00 0.00 H new ATOM 1331 N ARG A 80 21.837 -15.153 -14.046 1.00 0.00 N ATOM 1332 CA ARG A 80 21.362 -15.161 -15.419 1.00 0.00 C ATOM 1333 C ARG A 80 20.460 -13.953 -15.676 1.00 0.00 C ATOM 1334 O ARG A 80 19.336 -14.102 -16.152 1.00 0.00 O ATOM 1335 CB ARG A 80 20.585 -16.443 -15.725 1.00 0.00 C ATOM 1336 CG ARG A 80 21.051 -17.065 -17.043 1.00 0.00 C ATOM 1337 CD ARG A 80 19.892 -17.760 -17.761 1.00 0.00 C ATOM 1338 NE ARG A 80 20.371 -19.001 -18.412 1.00 0.00 N ATOM 1339 CZ ARG A 80 19.565 -19.969 -18.868 1.00 0.00 C ATOM 1340 NH1 ARG A 80 18.236 -19.846 -18.749 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.088 -21.060 -19.445 1.00 0.00 N ATOM 0 H ARG A 80 21.404 -15.851 -13.441 1.00 0.00 H new ATOM 0 HA ARG A 80 22.234 -15.113 -16.072 1.00 0.00 H new ATOM 0 HB2 ARG A 80 20.721 -17.158 -14.913 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.519 -16.222 -15.780 1.00 0.00 H new ATOM 0 HG2 ARG A 80 21.470 -16.291 -17.686 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.847 -17.784 -16.849 1.00 0.00 H new ATOM 0 HD2 ARG A 80 19.101 -17.995 -17.049 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.462 -17.091 -18.506 1.00 0.00 H new ATOM 0 HE ARG A 80 21.377 -19.127 -18.520 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.838 -19.015 -18.311 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.622 -20.583 -19.096 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.100 -21.153 -19.537 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.474 -21.797 -19.792 1.00 0.00 H new ATOM 1355 N TRP A 81 20.986 -12.781 -15.349 1.00 0.00 N ATOM 1356 CA TRP A 81 20.243 -11.548 -15.538 1.00 0.00 C ATOM 1357 C TRP A 81 19.675 -11.551 -16.959 1.00 0.00 C ATOM 1358 O TRP A 81 18.559 -11.087 -17.187 1.00 0.00 O ATOM 1359 CB TRP A 81 21.120 -10.328 -15.248 1.00 0.00 C ATOM 1360 CG TRP A 81 22.123 -10.540 -14.112 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.461 -10.558 -14.185 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.812 -10.765 -12.721 1.00 0.00 C ATOM 1363 NE1 TRP A 81 24.032 -10.776 -12.948 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.998 -10.906 -12.029 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.569 -10.845 -12.068 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.058 -11.137 -10.650 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.647 -11.076 -10.689 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.832 -11.221 -9.979 1.00 0.00 C ATOM 0 H TRP A 81 21.919 -12.660 -14.954 1.00 0.00 H new ATOM 0 HA TRP A 81 19.415 -11.485 -14.832 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.664 -10.060 -16.154 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.478 -9.483 -15.000 1.00 0.00 H new ATOM 0 HD1 TRP A 81 24.022 -10.419 -15.097 1.00 0.00 H new ATOM 0 HE1 TRP A 81 25.030 -10.832 -12.745 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.629 -10.737 -12.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.999 -11.245 -10.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.720 -11.146 -10.139 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.808 -11.398 -8.914 1.00 0.00 H new ATOM 1379 N ALA A 82 20.470 -12.079 -17.878 1.00 0.00 N ATOM 1380 CA ALA A 82 20.061 -12.149 -19.271 1.00 0.00 C ATOM 1381 C ALA A 82 18.656 -12.748 -19.356 1.00 0.00 C ATOM 1382 O ALA A 82 17.907 -12.454 -20.286 1.00 0.00 O ATOM 1383 CB ALA A 82 21.089 -12.957 -20.065 1.00 0.00 C ATOM 0 H ALA A 82 21.395 -12.462 -17.685 1.00 0.00 H new ATOM 0 HA ALA A 82 20.021 -11.152 -19.710 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.782 -13.010 -21.110 1.00 0.00 H new ATOM 0 HB2 ALA A 82 22.063 -12.473 -19.997 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.155 -13.965 -19.655 1.00 0.00 H new ATOM 1389 N GLU A 83 18.341 -13.577 -18.372 1.00 0.00 N ATOM 1390 CA GLU A 83 17.039 -14.220 -18.323 1.00 0.00 C ATOM 1391 C GLU A 83 16.187 -13.612 -17.208 1.00 0.00 C ATOM 1392 O GLU A 83 15.004 -13.338 -17.404 1.00 0.00 O ATOM 1393 CB GLU A 83 17.181 -15.733 -18.141 1.00 0.00 C ATOM 1394 CG GLU A 83 17.195 -16.449 -19.493 1.00 0.00 C ATOM 1395 CD GLU A 83 15.773 -16.669 -20.012 1.00 0.00 C ATOM 1396 OE1 GLU A 83 15.048 -15.658 -20.128 1.00 0.00 O ATOM 1397 OE2 GLU A 83 15.443 -17.844 -20.282 1.00 0.00 O ATOM 0 H GLU A 83 18.965 -13.818 -17.602 1.00 0.00 H new ATOM 0 HA GLU A 83 16.535 -14.047 -19.274 1.00 0.00 H new ATOM 0 HB2 GLU A 83 18.101 -15.953 -17.599 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.357 -16.109 -17.535 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.762 -15.861 -20.214 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.703 -17.409 -19.395 1.00 0.00 H new ATOM 1404 N ILE A 84 16.822 -13.417 -16.061 1.00 0.00 N ATOM 1405 CA ILE A 84 16.137 -12.846 -14.914 1.00 0.00 C ATOM 1406 C ILE A 84 15.305 -11.645 -15.368 1.00 0.00 C ATOM 1407 O ILE A 84 14.160 -11.484 -14.948 1.00 0.00 O ATOM 1408 CB ILE A 84 17.136 -12.517 -13.803 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.841 -13.332 -12.542 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.165 -11.013 -13.520 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.571 -14.676 -12.575 1.00 0.00 C ATOM 0 H ILE A 84 17.804 -13.644 -15.902 1.00 0.00 H new ATOM 0 HA ILE A 84 15.444 -13.570 -14.485 1.00 0.00 H new ATOM 0 HB ILE A 84 18.132 -12.800 -14.144 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.148 -12.769 -11.661 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.767 -13.499 -12.456 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.883 -10.806 -12.726 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.458 -10.478 -14.423 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.174 -10.682 -13.208 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.344 -15.236 -11.667 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.244 -15.247 -13.444 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.646 -14.505 -12.637 1.00 0.00 H new ATOM 1423 N ALA A 85 15.913 -10.833 -16.221 1.00 0.00 N ATOM 1424 CA ALA A 85 15.242 -9.652 -16.737 1.00 0.00 C ATOM 1425 C ALA A 85 14.121 -10.080 -17.686 1.00 0.00 C ATOM 1426 O ALA A 85 13.058 -9.463 -17.715 1.00 0.00 O ATOM 1427 CB ALA A 85 16.265 -8.740 -17.417 1.00 0.00 C ATOM 0 H ALA A 85 16.863 -10.970 -16.567 1.00 0.00 H new ATOM 0 HA ALA A 85 14.787 -9.084 -15.925 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.762 -7.854 -17.804 1.00 0.00 H new ATOM 0 HB2 ALA A 85 17.023 -8.440 -16.693 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.740 -9.276 -18.239 1.00 0.00 H new ATOM 1433 N LYS A 86 14.397 -11.135 -18.438 1.00 0.00 N ATOM 1434 CA LYS A 86 13.425 -11.654 -19.386 1.00 0.00 C ATOM 1435 C LYS A 86 12.214 -12.194 -18.623 1.00 0.00 C ATOM 1436 O LYS A 86 11.997 -13.404 -18.572 1.00 0.00 O ATOM 1437 CB LYS A 86 14.077 -12.682 -20.313 1.00 0.00 C ATOM 1438 CG LYS A 86 14.943 -11.995 -21.371 1.00 0.00 C ATOM 1439 CD LYS A 86 15.529 -13.017 -22.347 1.00 0.00 C ATOM 1440 CE LYS A 86 16.254 -12.320 -23.500 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.321 -12.064 -24.620 1.00 0.00 N ATOM 0 H LYS A 86 15.280 -11.645 -18.410 1.00 0.00 H new ATOM 0 HA LYS A 86 13.063 -10.857 -20.036 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.688 -13.369 -19.728 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.306 -13.278 -20.800 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.345 -11.266 -21.918 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.750 -11.446 -20.885 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.222 -13.673 -21.820 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.732 -13.647 -22.742 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.681 -11.379 -23.153 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.083 -12.939 -23.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.829 -11.591 -25.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.933 -12.966 -24.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.544 -11.455 -24.292 1.00 0.00 H new ATOM 1455 N LEU A 87 11.456 -11.271 -18.049 1.00 0.00 N ATOM 1456 CA LEU A 87 10.272 -11.639 -17.292 1.00 0.00 C ATOM 1457 C LEU A 87 9.278 -10.477 -17.310 1.00 0.00 C ATOM 1458 O LEU A 87 8.081 -10.682 -17.500 1.00 0.00 O ATOM 1459 CB LEU A 87 10.658 -12.096 -15.883 1.00 0.00 C ATOM 1460 CG LEU A 87 10.835 -13.604 -15.692 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.758 -13.902 -14.509 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.481 -14.301 -15.552 1.00 0.00 C ATOM 0 H LEU A 87 11.639 -10.269 -18.093 1.00 0.00 H new ATOM 0 HA LEU A 87 9.774 -12.491 -17.754 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.589 -11.603 -15.605 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.894 -11.749 -15.188 1.00 0.00 H new ATOM 0 HG LEU A 87 11.314 -14.008 -16.584 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.867 -14.981 -14.395 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.736 -13.456 -14.689 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.330 -13.483 -13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.635 -15.372 -15.417 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.952 -13.899 -14.688 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.889 -14.130 -16.451 1.00 0.00 H new ATOM 1474 N LEU A 88 9.812 -9.280 -17.110 1.00 0.00 N ATOM 1475 CA LEU A 88 8.986 -8.085 -17.101 1.00 0.00 C ATOM 1476 C LEU A 88 9.560 -7.067 -18.089 1.00 0.00 C ATOM 1477 O LEU A 88 10.764 -6.816 -18.099 1.00 0.00 O ATOM 1478 CB LEU A 88 8.840 -7.545 -15.677 1.00 0.00 C ATOM 1479 CG LEU A 88 8.697 -8.594 -14.573 1.00 0.00 C ATOM 1480 CD1 LEU A 88 10.068 -9.052 -14.070 1.00 0.00 C ATOM 1481 CD2 LEU A 88 7.813 -8.077 -13.436 1.00 0.00 C ATOM 0 H LEU A 88 10.806 -9.113 -16.953 1.00 0.00 H new ATOM 0 HA LEU A 88 7.975 -8.318 -17.434 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.710 -6.927 -15.453 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.968 -6.892 -15.645 1.00 0.00 H new ATOM 0 HG LEU A 88 8.201 -9.468 -14.995 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.937 -9.798 -13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.631 -9.488 -14.895 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.613 -8.197 -13.670 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.728 -8.842 -12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.258 -7.179 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.822 -7.841 -13.824 1.00 0.00 H new ATOM 1493 N PRO A 89 8.647 -6.493 -18.918 1.00 0.00 N ATOM 1494 CA PRO A 89 9.050 -5.508 -19.908 1.00 0.00 C ATOM 1495 C PRO A 89 9.350 -4.160 -19.249 1.00 0.00 C ATOM 1496 O PRO A 89 8.525 -3.632 -18.506 1.00 0.00 O ATOM 1497 CB PRO A 89 7.893 -5.444 -20.892 1.00 0.00 C ATOM 1498 CG PRO A 89 6.698 -6.045 -20.171 1.00 0.00 C ATOM 1499 CD PRO A 89 7.213 -6.766 -18.936 1.00 0.00 C ATOM 0 HA PRO A 89 9.975 -5.777 -20.418 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.692 -4.415 -21.191 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.122 -6.001 -21.800 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.990 -5.265 -19.890 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.167 -6.738 -20.824 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.728 -6.398 -18.032 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.014 -7.836 -18.991 1.00 0.00 H new ATOM 1507 N GLY A 90 10.533 -3.643 -19.547 1.00 0.00 N ATOM 1508 CA GLY A 90 10.952 -2.367 -18.993 1.00 0.00 C ATOM 1509 C GLY A 90 12.406 -2.425 -18.521 1.00 0.00 C ATOM 1510 O GLY A 90 13.218 -1.581 -18.895 1.00 0.00 O ATOM 0 H GLY A 90 11.214 -4.084 -20.165 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.841 -1.586 -19.745 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.305 -2.099 -18.158 1.00 0.00 H new ATOM 1514 N ARG A 91 12.690 -3.430 -17.705 1.00 0.00 N ATOM 1515 CA ARG A 91 14.032 -3.609 -17.178 1.00 0.00 C ATOM 1516 C ARG A 91 14.827 -4.569 -18.066 1.00 0.00 C ATOM 1517 O ARG A 91 14.255 -5.259 -18.909 1.00 0.00 O ATOM 1518 CB ARG A 91 13.995 -4.158 -15.751 1.00 0.00 C ATOM 1519 CG ARG A 91 13.638 -3.058 -14.749 1.00 0.00 C ATOM 1520 CD ARG A 91 14.803 -2.083 -14.569 1.00 0.00 C ATOM 1521 NE ARG A 91 14.450 -1.053 -13.566 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.265 -0.058 -13.192 1.00 0.00 C ATOM 1523 NH1 ARG A 91 16.486 0.048 -13.734 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.860 0.831 -12.275 1.00 0.00 N ATOM 0 H ARG A 91 12.014 -4.128 -17.396 1.00 0.00 H new ATOM 0 HA ARG A 91 14.517 -2.633 -17.167 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.264 -4.964 -15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.965 -4.586 -15.497 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.757 -2.518 -15.095 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.381 -3.505 -13.789 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.694 -2.623 -14.250 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.042 -1.609 -15.521 1.00 0.00 H new ATOM 0 HE ARG A 91 13.528 -1.104 -13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.795 -0.629 -14.432 1.00 0.00 H new ATOM 0 HH12 ARG A 91 17.106 0.806 -13.449 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.931 0.750 -11.862 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.481 1.589 -11.990 1.00 0.00 H new ATOM 1538 N THR A 92 16.134 -4.583 -17.846 1.00 0.00 N ATOM 1539 CA THR A 92 17.013 -5.447 -18.616 1.00 0.00 C ATOM 1540 C THR A 92 17.919 -6.253 -17.683 1.00 0.00 C ATOM 1541 O THR A 92 17.691 -6.296 -16.475 1.00 0.00 O ATOM 1542 CB THR A 92 17.785 -4.574 -19.607 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.312 -3.521 -18.805 1.00 0.00 O ATOM 1544 CG2 THR A 92 16.864 -3.862 -20.600 1.00 0.00 C ATOM 0 H THR A 92 16.605 -4.010 -17.146 1.00 0.00 H new ATOM 0 HA THR A 92 16.445 -6.184 -19.184 1.00 0.00 H new ATOM 0 HB THR A 92 18.500 -5.189 -20.153 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.284 -3.477 -18.921 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.462 -3.256 -21.281 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.303 -4.602 -21.171 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.170 -3.220 -20.057 1.00 0.00 H new ATOM 1552 N ASP A 93 18.927 -6.872 -18.278 1.00 0.00 N ATOM 1553 CA ASP A 93 19.869 -7.674 -17.516 1.00 0.00 C ATOM 1554 C ASP A 93 20.722 -6.756 -16.640 1.00 0.00 C ATOM 1555 O ASP A 93 20.586 -6.755 -15.417 1.00 0.00 O ATOM 1556 CB ASP A 93 20.807 -8.451 -18.442 1.00 0.00 C ATOM 1557 CG ASP A 93 21.162 -7.738 -19.748 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.211 -7.345 -20.457 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.377 -7.602 -20.008 1.00 0.00 O ATOM 0 H ASP A 93 19.113 -6.835 -19.280 1.00 0.00 H new ATOM 0 HA ASP A 93 19.299 -8.377 -16.909 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.729 -8.668 -17.902 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.345 -9.409 -18.682 1.00 0.00 H new ATOM 1564 N ASN A 94 21.584 -5.995 -17.299 1.00 0.00 N ATOM 1565 CA ASN A 94 22.460 -5.074 -16.595 1.00 0.00 C ATOM 1566 C ASN A 94 21.657 -4.330 -15.526 1.00 0.00 C ATOM 1567 O ASN A 94 22.202 -3.943 -14.493 1.00 0.00 O ATOM 1568 CB ASN A 94 23.050 -4.036 -17.551 1.00 0.00 C ATOM 1569 CG ASN A 94 22.123 -3.802 -18.746 1.00 0.00 C ATOM 1570 OD1 ASN A 94 21.014 -3.311 -18.618 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.639 -4.180 -19.912 1.00 0.00 N ATOM 0 H ASN A 94 21.694 -5.998 -18.313 1.00 0.00 H new ATOM 0 HA ASN A 94 23.268 -5.652 -16.147 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.210 -3.097 -17.021 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.025 -4.373 -17.903 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.099 -4.065 -20.770 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.575 -4.585 -19.948 1.00 0.00 H new ATOM 1578 N ALA A 95 20.375 -4.153 -15.810 1.00 0.00 N ATOM 1579 CA ALA A 95 19.492 -3.462 -14.886 1.00 0.00 C ATOM 1580 C ALA A 95 19.368 -4.280 -13.599 1.00 0.00 C ATOM 1581 O ALA A 95 19.750 -3.817 -12.525 1.00 0.00 O ATOM 1582 CB ALA A 95 18.138 -3.222 -15.557 1.00 0.00 C ATOM 0 H ALA A 95 19.927 -4.476 -16.667 1.00 0.00 H new ATOM 0 HA ALA A 95 19.901 -2.487 -14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.475 -2.704 -14.864 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.277 -2.613 -16.450 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.695 -4.178 -15.836 1.00 0.00 H new ATOM 1588 N VAL A 96 18.832 -5.483 -13.749 1.00 0.00 N ATOM 1589 CA VAL A 96 18.653 -6.369 -12.612 1.00 0.00 C ATOM 1590 C VAL A 96 20.014 -6.658 -11.976 1.00 0.00 C ATOM 1591 O VAL A 96 20.199 -6.453 -10.778 1.00 0.00 O ATOM 1592 CB VAL A 96 17.915 -7.637 -13.048 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.711 -8.587 -11.866 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.581 -7.294 -13.713 1.00 0.00 C ATOM 0 H VAL A 96 18.516 -5.864 -14.641 1.00 0.00 H new ATOM 0 HA VAL A 96 18.034 -5.894 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 96 18.534 -8.148 -13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.184 -9.480 -12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.680 -8.871 -11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.123 -8.088 -11.096 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.077 -8.213 -14.013 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.953 -6.749 -13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.761 -6.675 -14.592 1.00 0.00 H new ATOM 1604 N LYS A 97 20.932 -7.130 -12.808 1.00 0.00 N ATOM 1605 CA LYS A 97 22.270 -7.449 -12.342 1.00 0.00 C ATOM 1606 C LYS A 97 22.688 -6.438 -11.272 1.00 0.00 C ATOM 1607 O LYS A 97 22.872 -6.799 -10.110 1.00 0.00 O ATOM 1608 CB LYS A 97 23.242 -7.533 -13.521 1.00 0.00 C ATOM 1609 CG LYS A 97 24.667 -7.808 -13.038 1.00 0.00 C ATOM 1610 CD LYS A 97 25.601 -8.088 -14.217 1.00 0.00 C ATOM 1611 CE LYS A 97 25.923 -6.801 -14.979 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.356 -6.460 -14.840 1.00 0.00 N ATOM 0 H LYS A 97 20.775 -7.299 -13.802 1.00 0.00 H new ATOM 0 HA LYS A 97 22.285 -8.433 -11.874 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.926 -8.323 -14.202 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.219 -6.600 -14.083 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.035 -6.951 -12.473 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.667 -8.661 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.524 -8.541 -13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.136 -8.807 -14.891 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.673 -6.923 -16.033 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.310 -5.984 -14.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.557 -5.584 -15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.584 -6.323 -13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.936 -7.233 -15.224 1.00 0.00 H new ATOM 1626 N ASN A 98 22.825 -5.192 -11.702 1.00 0.00 N ATOM 1627 CA ASN A 98 23.218 -4.127 -10.795 1.00 0.00 C ATOM 1628 C ASN A 98 22.219 -4.054 -9.638 1.00 0.00 C ATOM 1629 O ASN A 98 22.609 -4.104 -8.473 1.00 0.00 O ATOM 1630 CB ASN A 98 23.218 -2.772 -11.505 1.00 0.00 C ATOM 1631 CG ASN A 98 24.196 -1.803 -10.837 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.986 -1.332 -9.732 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.275 -1.534 -11.568 1.00 0.00 N ATOM 0 H ASN A 98 22.671 -4.896 -12.666 1.00 0.00 H new ATOM 0 HA ASN A 98 24.223 -4.345 -10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.491 -2.906 -12.552 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.214 -2.349 -11.489 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.988 -0.899 -11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.389 -1.963 -12.486 1.00 0.00 H new ATOM 1640 N HIS A 99 20.950 -3.937 -10.001 1.00 0.00 N ATOM 1641 CA HIS A 99 19.892 -3.856 -9.007 1.00 0.00 C ATOM 1642 C HIS A 99 20.129 -4.906 -7.920 1.00 0.00 C ATOM 1643 O HIS A 99 19.727 -4.719 -6.773 1.00 0.00 O ATOM 1644 CB HIS A 99 18.518 -3.984 -9.666 1.00 0.00 C ATOM 1645 CG HIS A 99 17.371 -4.052 -8.686 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.299 -3.252 -7.560 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.252 -4.833 -8.676 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.183 -3.547 -6.908 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.537 -4.527 -7.601 1.00 0.00 N ATOM 0 H HIS A 99 20.630 -3.896 -10.969 1.00 0.00 H new ATOM 0 HA HIS A 99 19.911 -2.877 -8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.365 -3.134 -10.331 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.506 -4.880 -10.286 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.992 -5.574 -9.417 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.845 -3.091 -5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.650 -4.955 -7.337 1.00 0.00 H new ATOM 1657 N TRP A 100 20.780 -5.989 -8.320 1.00 0.00 N ATOM 1658 CA TRP A 100 21.074 -7.069 -7.394 1.00 0.00 C ATOM 1659 C TRP A 100 21.949 -6.505 -6.272 1.00 0.00 C ATOM 1660 O TRP A 100 21.510 -6.409 -5.127 1.00 0.00 O ATOM 1661 CB TRP A 100 21.720 -8.252 -8.118 1.00 0.00 C ATOM 1662 CG TRP A 100 21.594 -9.582 -7.374 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.575 -10.418 -7.006 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.372 -10.200 -6.917 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.076 -11.525 -6.349 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.694 -11.388 -6.294 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.038 -9.769 -7.028 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.738 -12.243 -5.732 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.095 -10.635 -6.462 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.403 -11.834 -5.830 1.00 0.00 C ATOM 0 H TRP A 100 21.112 -6.141 -9.272 1.00 0.00 H new ATOM 0 HA TRP A 100 20.156 -7.462 -6.956 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.265 -8.354 -9.103 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.776 -8.035 -8.276 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.624 -10.247 -7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.621 -12.301 -5.973 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.763 -8.843 -7.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 20.016 -13.168 -5.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.055 -10.351 -6.521 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.616 -12.447 -5.416 1.00 0.00 H new ATOM 1681 N ASN A 101 23.170 -6.147 -6.641 1.00 0.00 N ATOM 1682 CA ASN A 101 24.110 -5.595 -5.680 1.00 0.00 C ATOM 1683 C ASN A 101 23.664 -4.185 -5.289 1.00 0.00 C ATOM 1684 O ASN A 101 24.267 -3.558 -4.419 1.00 0.00 O ATOM 1685 CB ASN A 101 25.515 -5.498 -6.277 1.00 0.00 C ATOM 1686 CG ASN A 101 26.129 -6.888 -6.463 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.463 -7.579 -5.516 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.257 -7.256 -7.735 1.00 0.00 N ATOM 0 H ASN A 101 23.530 -6.228 -7.592 1.00 0.00 H new ATOM 0 HA ASN A 101 24.132 -6.255 -4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.471 -4.984 -7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.151 -4.900 -5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.656 -8.166 -7.965 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.957 -6.628 -8.480 1.00 0.00 H new ATOM 1695 N SER A 102 22.612 -3.727 -5.951 1.00 0.00 N ATOM 1696 CA SER A 102 22.079 -2.402 -5.684 1.00 0.00 C ATOM 1697 C SER A 102 21.398 -2.378 -4.313 1.00 0.00 C ATOM 1698 O SER A 102 21.972 -1.892 -3.340 1.00 0.00 O ATOM 1699 CB SER A 102 21.093 -1.975 -6.773 1.00 0.00 C ATOM 1700 OG SER A 102 20.714 -0.607 -6.644 1.00 0.00 O ATOM 0 H SER A 102 22.114 -4.250 -6.672 1.00 0.00 H new ATOM 0 HA SER A 102 22.908 -1.694 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.543 -2.136 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.204 -2.604 -6.724 1.00 0.00 H new ATOM 0 HG SER A 102 20.085 -0.373 -7.359 1.00 0.00 H new ATOM 1706 N THR A 103 20.185 -2.910 -4.281 1.00 0.00 N ATOM 1707 CA THR A 103 19.420 -2.956 -3.046 1.00 0.00 C ATOM 1708 C THR A 103 19.111 -4.404 -2.664 1.00 0.00 C ATOM 1709 O THR A 103 18.705 -4.680 -1.537 1.00 0.00 O ATOM 1710 CB THR A 103 18.169 -2.096 -3.233 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.571 -0.798 -2.803 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.047 -2.478 -2.265 1.00 0.00 C ATOM 0 H THR A 103 19.713 -3.313 -5.090 1.00 0.00 H new ATOM 0 HA THR A 103 19.990 -2.548 -2.212 1.00 0.00 H new ATOM 0 HB THR A 103 17.813 -2.192 -4.259 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.819 -0.176 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.182 -1.838 -2.439 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.766 -3.519 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.392 -2.350 -1.239 1.00 0.00 H new ATOM 1720 N ILE A 104 19.316 -5.293 -3.626 1.00 0.00 N ATOM 1721 CA ILE A 104 19.064 -6.707 -3.404 1.00 0.00 C ATOM 1722 C ILE A 104 20.325 -7.362 -2.839 1.00 0.00 C ATOM 1723 O ILE A 104 20.582 -8.539 -3.088 1.00 0.00 O ATOM 1724 CB ILE A 104 18.549 -7.366 -4.685 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.480 -6.501 -5.356 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.047 -8.785 -4.408 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.076 -6.943 -4.939 1.00 0.00 C ATOM 0 H ILE A 104 19.654 -5.061 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 104 18.275 -6.843 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 104 19.381 -7.449 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.631 -5.456 -5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.580 -6.569 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.686 -9.231 -5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.862 -9.388 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.234 -8.748 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.335 -6.312 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.919 -7.981 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.972 -6.851 -3.858 1.00 0.00 H new ATOM 1739 N LYS A 105 21.080 -6.572 -2.090 1.00 0.00 N ATOM 1740 CA LYS A 105 22.308 -7.061 -1.487 1.00 0.00 C ATOM 1741 C LYS A 105 22.575 -6.295 -0.190 1.00 0.00 C ATOM 1742 O LYS A 105 23.467 -5.449 -0.137 1.00 0.00 O ATOM 1743 CB LYS A 105 23.461 -6.993 -2.491 1.00 0.00 C ATOM 1744 CG LYS A 105 23.372 -8.133 -3.507 1.00 0.00 C ATOM 1745 CD LYS A 105 23.261 -9.487 -2.804 1.00 0.00 C ATOM 1746 CE LYS A 105 24.212 -10.509 -3.429 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.508 -11.786 -3.684 1.00 0.00 N ATOM 0 H LYS A 105 20.865 -5.596 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 105 22.209 -8.113 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.439 -6.035 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.412 -7.046 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.507 -7.983 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.254 -8.123 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.491 -9.371 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.236 -9.852 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.614 -10.116 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.059 -10.680 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.195 -12.508 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.030 -12.099 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.803 -11.650 -4.436 1.00 0.00 H new ATOM 1761 N ARG A 106 21.787 -6.619 0.824 1.00 0.00 N ATOM 1762 CA ARG A 106 21.927 -5.972 2.117 1.00 0.00 C ATOM 1763 C ARG A 106 23.168 -6.497 2.842 1.00 0.00 C ATOM 1764 O ARG A 106 23.854 -5.744 3.531 1.00 0.00 O ATOM 1765 CB ARG A 106 20.694 -6.213 2.991 1.00 0.00 C ATOM 1766 CG ARG A 106 20.196 -7.653 2.850 1.00 0.00 C ATOM 1767 CD ARG A 106 18.974 -7.723 1.933 1.00 0.00 C ATOM 1768 NE ARG A 106 19.303 -8.484 0.707 1.00 0.00 N ATOM 1769 CZ ARG A 106 19.333 -9.821 0.638 1.00 0.00 C ATOM 1770 NH1 ARG A 106 19.053 -10.555 1.724 1.00 0.00 N ATOM 1771 NH2 ARG A 106 19.643 -10.426 -0.517 1.00 0.00 N ATOM 0 H ARG A 106 21.049 -7.321 0.776 1.00 0.00 H new ATOM 0 HA ARG A 106 22.030 -4.901 1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 106 20.937 -6.009 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 106 19.901 -5.521 2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 106 20.993 -8.279 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 106 19.941 -8.051 3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 106 18.144 -8.200 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 106 18.649 -6.717 1.670 1.00 0.00 H new ATOM 0 HE ARG A 106 19.521 -7.957 -0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 106 18.817 -10.095 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 106 19.076 -11.573 1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.856 -9.868 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.666 -11.444 -0.569 1.00 0.00 H new ATOM 1785 N LYS A 107 23.418 -7.786 2.662 1.00 0.00 N ATOM 1786 CA LYS A 107 24.564 -8.421 3.290 1.00 0.00 C ATOM 1787 C LYS A 107 25.800 -8.217 2.411 1.00 0.00 C ATOM 1788 O LYS A 107 26.323 -9.172 1.838 1.00 0.00 O ATOM 1789 CB LYS A 107 24.262 -9.890 3.595 1.00 0.00 C ATOM 1790 CG LYS A 107 25.554 -10.693 3.756 1.00 0.00 C ATOM 1791 CD LYS A 107 25.473 -11.626 4.966 1.00 0.00 C ATOM 1792 CE LYS A 107 26.870 -11.970 5.487 1.00 0.00 C ATOM 1793 NZ LYS A 107 26.948 -13.401 5.857 1.00 0.00 N ATOM 0 H LYS A 107 22.846 -8.408 2.090 1.00 0.00 H new ATOM 0 HA LYS A 107 24.777 -7.956 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 107 23.669 -9.961 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 107 23.662 -10.316 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 107 25.738 -11.277 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 107 26.397 -10.012 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 107 24.892 -11.152 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 107 24.948 -12.541 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 107 27.615 -11.745 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 107 27.104 -11.351 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 27.903 -13.617 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 26.251 -13.606 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 26.746 -13.987 5.022 1.00 0.00 H new ATOM 1807 N VAL A 108 26.231 -6.967 2.332 1.00 0.00 N ATOM 1808 CA VAL A 108 27.395 -6.626 1.533 1.00 0.00 C ATOM 1809 C VAL A 108 28.153 -5.480 2.207 1.00 0.00 C ATOM 1810 O VAL A 108 29.372 -5.542 2.360 1.00 0.00 O ATOM 1811 CB VAL A 108 26.969 -6.300 0.100 1.00 0.00 C ATOM 1812 CG1 VAL A 108 27.130 -4.807 -0.193 1.00 0.00 C ATOM 1813 CG2 VAL A 108 27.749 -7.144 -0.909 1.00 0.00 C ATOM 0 H VAL A 108 25.795 -6.178 2.808 1.00 0.00 H new ATOM 0 HA VAL A 108 28.077 -7.474 1.470 1.00 0.00 H new ATOM 0 HB VAL A 108 25.913 -6.549 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 108 26.820 -4.602 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.510 -4.232 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 108 28.174 -4.522 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 108 27.427 -6.893 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 108 28.815 -6.941 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.562 -8.201 -0.721 1.00 0.00 H new ATOM 1823 N ASP A 109 27.399 -4.460 2.592 1.00 0.00 N ATOM 1824 CA ASP A 109 27.985 -3.302 3.246 1.00 0.00 C ATOM 1825 C ASP A 109 26.935 -2.644 4.144 1.00 0.00 C ATOM 1826 O ASP A 109 26.341 -1.633 3.773 1.00 0.00 O ATOM 1827 CB ASP A 109 28.446 -2.265 2.220 1.00 0.00 C ATOM 1828 CG ASP A 109 29.613 -1.384 2.670 1.00 0.00 C ATOM 1829 OD1 ASP A 109 30.473 -1.915 3.405 1.00 0.00 O ATOM 1830 OD2 ASP A 109 29.619 -0.201 2.269 1.00 0.00 O ATOM 0 H ASP A 109 26.388 -4.412 2.464 1.00 0.00 H new ATOM 0 HA ASP A 109 28.843 -3.641 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 109 28.734 -2.784 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 109 27.601 -1.623 1.970 1.00 0.00 H new ATOM 1835 N THR A 110 26.738 -3.245 5.308 1.00 0.00 N ATOM 1836 CA THR A 110 25.771 -2.731 6.262 1.00 0.00 C ATOM 1837 C THR A 110 26.055 -1.259 6.568 1.00 0.00 C ATOM 1838 O THR A 110 27.209 -0.867 6.735 1.00 0.00 O ATOM 1839 CB THR A 110 25.806 -3.627 7.502 1.00 0.00 C ATOM 1840 OG1 THR A 110 24.779 -3.103 8.338 1.00 0.00 O ATOM 1841 CG2 THR A 110 27.085 -3.442 8.321 1.00 0.00 C ATOM 0 H THR A 110 27.232 -4.084 5.612 1.00 0.00 H new ATOM 0 HA THR A 110 24.761 -2.757 5.854 1.00 0.00 H new ATOM 0 HB THR A 110 25.717 -4.670 7.199 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.731 -3.627 9.165 1.00 0.00 H new ATOM 0 HG21 THR A 110 27.059 -4.100 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 110 27.950 -3.687 7.705 1.00 0.00 H new ATOM 0 HG23 THR A 110 27.158 -2.406 8.653 1.00 0.00 H new TER 1849 THR A 110