USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 HIS : no HD1:sc= -0.12 X(o=0.064,f=0.31) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0.184 USER MOD Set 2.1: A 44 SER OG : rot 52:sc= 1.18 USER MOD Set 2.2: A 90 TYR OH : rot 78:sc= 0.923 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0692 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 163:sc= 0.693 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 0.797 (180deg=-0.961!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.321 K(o=-0.32,f=-0.98) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0085 F(o=-1.5!,f=-0.0085) USER MOD Single : A 31 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 43 TYR OH : rot 173:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 52 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.491 K(o=0.49,f=-0.16) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.496 K(o=0.5,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= 0.523 (180deg=0.146) USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 0.35 (180deg=0.156) USER MOD Single : A 63 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.018) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.367 F(o=-1,f=-0.37) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.203 F(o=-0.74,f=-0.2) USER MOD Single : A 70 THR OG1 : rot 14:sc= 0.717 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.23 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -24:sc= 0.115 USER MOD Single : A 101 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0026) USER MOD Single : A 102 GLN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.077) USER MOD Single : A 109 TYR OH : rot 180:sc= 0.979 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -158:sc= -0.0607 (180deg=-0.523) USER MOD Single : A 129 LYS NZ :NH3+ 150:sc= 0.0344 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-1.5) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.768 -6.702 -25.189 1.00 31.51 N ATOM 2 CA GLY A 1 -8.976 -7.832 -25.681 1.00 23.31 C ATOM 3 C GLY A 1 -8.937 -8.926 -24.638 1.00 5.12 C ATOM 4 O GLY A 1 -7.979 -9.005 -23.862 1.00 25.45 O ATOM 0 H1 GLY A 1 -9.791 -5.954 -25.911 1.00 31.51 H new ATOM 0 H2 GLY A 1 -10.738 -7.019 -24.988 1.00 31.51 H new ATOM 0 H3 GLY A 1 -9.338 -6.330 -24.318 1.00 31.51 H new ATOM 0 HA2 GLY A 1 -9.408 -8.215 -26.606 1.00 23.31 H new ATOM 0 HA3 GLY A 1 -7.963 -7.503 -25.914 1.00 23.31 H new ATOM 8 N MET A 2 -9.969 -9.777 -24.624 1.00 31.42 N ATOM 9 CA MET A 2 -10.213 -10.763 -23.577 1.00 2.35 C ATOM 10 C MET A 2 -10.373 -10.033 -22.232 1.00 30.23 C ATOM 11 O MET A 2 -10.698 -8.842 -22.225 1.00 3.33 O ATOM 12 CB MET A 2 -9.167 -11.895 -23.621 1.00 22.43 C ATOM 13 CG MET A 2 -9.094 -12.586 -24.996 1.00 14.42 C ATOM 14 SD MET A 2 -8.080 -11.741 -26.250 1.00 61.10 S ATOM 15 CE MET A 2 -6.533 -12.661 -26.074 1.00 70.41 C ATOM 0 H MET A 2 -10.673 -9.796 -25.362 1.00 31.42 H new ATOM 0 HA MET A 2 -11.153 -11.290 -23.739 1.00 2.35 H new ATOM 0 HB2 MET A 2 -8.187 -11.488 -23.371 1.00 22.43 H new ATOM 0 HB3 MET A 2 -9.408 -12.636 -22.859 1.00 22.43 H new ATOM 0 HG2 MET A 2 -8.701 -13.593 -24.856 1.00 14.42 H new ATOM 0 HG3 MET A 2 -10.107 -12.690 -25.384 1.00 14.42 H new ATOM 0 HE1 MET A 2 -5.795 -12.270 -26.775 1.00 70.41 H new ATOM 0 HE2 MET A 2 -6.159 -12.553 -25.056 1.00 70.41 H new ATOM 0 HE3 MET A 2 -6.711 -13.715 -26.285 1.00 70.41 H new ATOM 23 N THR A 3 -10.285 -10.738 -21.106 1.00 72.11 N ATOM 24 CA THR A 3 -10.294 -10.142 -19.771 1.00 43.30 C ATOM 25 C THR A 3 -9.197 -10.783 -18.907 1.00 64.23 C ATOM 26 O THR A 3 -8.822 -11.933 -19.175 1.00 13.44 O ATOM 27 CB THR A 3 -11.681 -10.307 -19.119 1.00 42.33 C ATOM 28 OG1 THR A 3 -12.151 -11.645 -19.166 1.00 71.43 O ATOM 29 CG2 THR A 3 -12.744 -9.423 -19.774 1.00 3.15 C ATOM 0 H THR A 3 -10.204 -11.755 -21.095 1.00 72.11 H new ATOM 0 HA THR A 3 -10.088 -9.075 -19.854 1.00 43.30 H new ATOM 0 HB THR A 3 -11.533 -10.004 -18.082 1.00 42.33 H new ATOM 0 HG1 THR A 3 -13.032 -11.698 -18.739 1.00 71.43 H new ATOM 0 HG21 THR A 3 -13.702 -9.577 -19.277 1.00 3.15 H new ATOM 0 HG22 THR A 3 -12.453 -8.376 -19.684 1.00 3.15 H new ATOM 0 HG23 THR A 3 -12.835 -9.684 -20.828 1.00 3.15 H new ATOM 37 N PRO A 4 -8.703 -10.093 -17.865 1.00 64.10 N ATOM 38 CA PRO A 4 -7.836 -10.704 -16.868 1.00 43.22 C ATOM 39 C PRO A 4 -8.641 -11.669 -15.992 1.00 62.14 C ATOM 40 O PRO A 4 -9.866 -11.561 -15.910 1.00 52.10 O ATOM 41 CB PRO A 4 -7.289 -9.534 -16.045 1.00 72.30 C ATOM 42 CG PRO A 4 -8.410 -8.501 -16.113 1.00 53.42 C ATOM 43 CD PRO A 4 -8.985 -8.707 -17.513 1.00 10.21 C ATOM 0 HA PRO A 4 -7.031 -11.287 -17.315 1.00 43.22 H new ATOM 0 HB2 PRO A 4 -7.077 -9.830 -15.018 1.00 72.30 H new ATOM 0 HB3 PRO A 4 -6.360 -9.147 -16.464 1.00 72.30 H new ATOM 0 HG2 PRO A 4 -9.160 -8.669 -15.340 1.00 53.42 H new ATOM 0 HG3 PRO A 4 -8.033 -7.487 -15.977 1.00 53.42 H new ATOM 0 HD2 PRO A 4 -10.057 -8.512 -17.527 1.00 10.21 H new ATOM 0 HD3 PRO A 4 -8.527 -8.022 -18.227 1.00 10.21 H new ATOM 48 N GLN A 5 -7.951 -12.548 -15.272 1.00 70.24 N ATOM 49 CA GLN A 5 -8.489 -13.443 -14.265 1.00 33.42 C ATOM 50 C GLN A 5 -7.688 -13.216 -12.977 1.00 73.30 C ATOM 51 O GLN A 5 -6.550 -12.738 -13.017 1.00 23.13 O ATOM 52 CB GLN A 5 -8.383 -14.901 -14.764 1.00 62.32 C ATOM 53 CG GLN A 5 -9.729 -15.629 -14.890 1.00 43.04 C ATOM 54 CD GLN A 5 -10.523 -15.209 -16.121 1.00 74.33 C ATOM 55 OE1 GLN A 5 -11.334 -14.286 -16.073 1.00 5.04 O ATOM 56 NE2 GLN A 5 -10.325 -15.867 -17.249 1.00 52.42 N ATOM 0 H GLN A 5 -6.943 -12.657 -15.386 1.00 70.24 H new ATOM 0 HA GLN A 5 -9.543 -13.247 -14.071 1.00 33.42 H new ATOM 0 HB2 GLN A 5 -7.890 -14.904 -15.736 1.00 62.32 H new ATOM 0 HB3 GLN A 5 -7.744 -15.460 -14.081 1.00 62.32 H new ATOM 0 HG2 GLN A 5 -9.552 -16.704 -14.929 1.00 43.04 H new ATOM 0 HG3 GLN A 5 -10.325 -15.436 -13.998 1.00 43.04 H new ATOM 0 HE21 GLN A 5 -9.651 -16.632 -17.282 1.00 52.42 H new ATOM 0 HE22 GLN A 5 -10.846 -15.610 -18.087 1.00 52.42 H new ATOM 63 N SER A 6 -8.269 -13.598 -11.842 1.00 54.31 N ATOM 64 CA SER A 6 -7.652 -13.542 -10.517 1.00 74.24 C ATOM 65 C SER A 6 -6.967 -14.881 -10.216 1.00 33.23 C ATOM 66 O SER A 6 -7.246 -15.543 -9.210 1.00 44.24 O ATOM 67 CB SER A 6 -8.719 -13.175 -9.482 1.00 3.05 C ATOM 68 OG SER A 6 -9.223 -11.868 -9.728 1.00 72.41 O ATOM 0 H SER A 6 -9.219 -13.969 -11.818 1.00 54.31 H new ATOM 0 HA SER A 6 -6.881 -12.772 -10.478 1.00 74.24 H new ATOM 0 HB2 SER A 6 -9.534 -13.898 -9.519 1.00 3.05 H new ATOM 0 HB3 SER A 6 -8.294 -13.225 -8.480 1.00 3.05 H new ATOM 0 HG SER A 6 -9.905 -11.649 -9.059 1.00 72.41 H new ATOM 73 N ASP A 7 -6.067 -15.282 -11.111 1.00 10.02 N ATOM 74 CA ASP A 7 -5.255 -16.503 -11.054 1.00 21.32 C ATOM 75 C ASP A 7 -3.897 -16.224 -10.399 1.00 34.54 C ATOM 76 O ASP A 7 -2.880 -16.869 -10.653 1.00 62.23 O ATOM 77 CB ASP A 7 -5.124 -17.087 -12.462 1.00 32.21 C ATOM 78 CG ASP A 7 -6.370 -17.868 -12.889 1.00 10.43 C ATOM 79 OD1 ASP A 7 -7.099 -18.388 -12.009 1.00 41.34 O ATOM 80 OD2 ASP A 7 -6.645 -17.965 -14.105 1.00 4.15 O ATOM 0 H ASP A 7 -5.871 -14.732 -11.947 1.00 10.02 H new ATOM 0 HA ASP A 7 -5.747 -17.247 -10.428 1.00 21.32 H new ATOM 0 HB2 ASP A 7 -4.944 -16.280 -13.172 1.00 32.21 H new ATOM 0 HB3 ASP A 7 -4.256 -17.745 -12.500 1.00 32.21 H new ATOM 84 N THR A 8 -3.890 -15.198 -9.575 1.00 52.14 N ATOM 85 CA THR A 8 -2.843 -14.712 -8.699 1.00 71.21 C ATOM 86 C THR A 8 -2.399 -15.753 -7.659 1.00 30.25 C ATOM 87 O THR A 8 -3.231 -16.566 -7.240 1.00 25.23 O ATOM 88 CB THR A 8 -3.449 -13.501 -7.974 1.00 70.40 C ATOM 89 OG1 THR A 8 -4.822 -13.707 -7.646 1.00 2.24 O ATOM 90 CG2 THR A 8 -3.360 -12.260 -8.859 1.00 30.34 C ATOM 0 H THR A 8 -4.721 -14.612 -9.493 1.00 52.14 H new ATOM 0 HA THR A 8 -1.954 -14.471 -9.283 1.00 71.21 H new ATOM 0 HB THR A 8 -2.879 -13.367 -7.055 1.00 70.40 H new ATOM 0 HG1 THR A 8 -5.170 -12.916 -7.185 1.00 2.24 H new ATOM 0 HG21 THR A 8 -3.793 -11.408 -8.335 1.00 30.34 H new ATOM 0 HG22 THR A 8 -2.315 -12.052 -9.090 1.00 30.34 H new ATOM 0 HG23 THR A 8 -3.909 -12.433 -9.785 1.00 30.34 H new ATOM 98 N PRO A 9 -1.146 -15.681 -7.172 1.00 53.23 N ATOM 99 CA PRO A 9 -0.659 -16.487 -6.057 1.00 32.11 C ATOM 100 C PRO A 9 -1.276 -16.049 -4.725 1.00 4.01 C ATOM 101 O PRO A 9 -1.914 -14.995 -4.631 1.00 13.42 O ATOM 102 CB PRO A 9 0.866 -16.346 -6.084 1.00 14.04 C ATOM 103 CG PRO A 9 1.102 -14.999 -6.759 1.00 11.02 C ATOM 104 CD PRO A 9 -0.077 -14.855 -7.714 1.00 43.33 C ATOM 0 HA PRO A 9 -0.950 -17.533 -6.156 1.00 32.11 H new ATOM 0 HB2 PRO A 9 1.286 -16.367 -5.079 1.00 14.04 H new ATOM 0 HB3 PRO A 9 1.332 -17.159 -6.642 1.00 14.04 H new ATOM 0 HG2 PRO A 9 1.129 -14.187 -6.032 1.00 11.02 H new ATOM 0 HG3 PRO A 9 2.052 -14.981 -7.292 1.00 11.02 H new ATOM 0 HD2 PRO A 9 -0.391 -13.814 -7.790 1.00 43.33 H new ATOM 0 HD3 PRO A 9 0.194 -15.180 -8.718 1.00 43.33 H new ATOM 109 N LYS A 10 -1.054 -16.842 -3.670 1.00 52.23 N ATOM 110 CA LYS A 10 -1.547 -16.575 -2.322 1.00 22.35 C ATOM 111 C LYS A 10 -0.384 -16.279 -1.393 1.00 74.41 C ATOM 112 O LYS A 10 0.699 -16.861 -1.510 1.00 30.51 O ATOM 113 CB LYS A 10 -2.403 -17.741 -1.802 1.00 72.50 C ATOM 114 CG LYS A 10 -3.776 -17.775 -2.500 1.00 72.41 C ATOM 115 CD LYS A 10 -3.844 -18.655 -3.754 1.00 23.55 C ATOM 116 CE LYS A 10 -4.586 -19.972 -3.487 1.00 42.23 C ATOM 117 NZ LYS A 10 -4.562 -20.858 -4.668 1.00 30.32 N ATOM 0 H LYS A 10 -0.514 -17.705 -3.736 1.00 52.23 H new ATOM 0 HA LYS A 10 -2.191 -15.696 -2.354 1.00 22.35 H new ATOM 0 HB2 LYS A 10 -1.882 -18.683 -1.972 1.00 72.50 H new ATOM 0 HB3 LYS A 10 -2.541 -17.643 -0.725 1.00 72.50 H new ATOM 0 HG2 LYS A 10 -4.521 -18.127 -1.786 1.00 72.41 H new ATOM 0 HG3 LYS A 10 -4.053 -16.757 -2.773 1.00 72.41 H new ATOM 0 HD2 LYS A 10 -4.347 -18.110 -4.553 1.00 23.55 H new ATOM 0 HD3 LYS A 10 -2.834 -18.871 -4.102 1.00 23.55 H new ATOM 0 HE2 LYS A 10 -4.129 -20.482 -2.639 1.00 42.23 H new ATOM 0 HE3 LYS A 10 -5.619 -19.759 -3.212 1.00 42.23 H new ATOM 0 HZ1 LYS A 10 -5.072 -21.738 -4.452 1.00 30.32 H new ATOM 0 HZ2 LYS A 10 -5.020 -20.380 -5.470 1.00 30.32 H new ATOM 0 HZ3 LYS A 10 -3.577 -21.081 -4.915 1.00 30.32 H new ATOM 127 N VAL A 11 -0.590 -15.294 -0.524 1.00 3.35 N ATOM 128 CA VAL A 11 0.433 -14.809 0.383 1.00 73.11 C ATOM 129 C VAL A 11 0.730 -15.905 1.402 1.00 65.54 C ATOM 130 O VAL A 11 -0.185 -16.576 1.884 1.00 10.44 O ATOM 131 CB VAL A 11 -0.041 -13.485 1.016 1.00 41.00 C ATOM 132 CG1 VAL A 11 0.836 -12.995 2.171 1.00 21.51 C ATOM 133 CG2 VAL A 11 -0.038 -12.380 -0.051 1.00 2.25 C ATOM 0 H VAL A 11 -1.482 -14.808 -0.432 1.00 3.35 H new ATOM 0 HA VAL A 11 1.367 -14.587 -0.134 1.00 73.11 H new ATOM 0 HB VAL A 11 -1.036 -13.689 1.411 1.00 41.00 H new ATOM 0 HG11 VAL A 11 0.435 -12.059 2.561 1.00 21.51 H new ATOM 0 HG12 VAL A 11 0.846 -13.743 2.963 1.00 21.51 H new ATOM 0 HG13 VAL A 11 1.853 -12.833 1.813 1.00 21.51 H new ATOM 0 HG21 VAL A 11 -0.373 -11.443 0.394 1.00 2.25 H new ATOM 0 HG22 VAL A 11 0.971 -12.255 -0.443 1.00 2.25 H new ATOM 0 HG23 VAL A 11 -0.711 -12.656 -0.863 1.00 2.25 H new ATOM 143 N THR A 12 2.002 -16.061 1.753 1.00 5.25 N ATOM 144 CA THR A 12 2.495 -17.062 2.692 1.00 32.44 C ATOM 145 C THR A 12 3.569 -16.451 3.618 1.00 24.31 C ATOM 146 O THR A 12 4.197 -17.166 4.402 1.00 52.12 O ATOM 147 CB THR A 12 2.891 -18.311 1.871 1.00 5.12 C ATOM 148 OG1 THR A 12 3.141 -19.468 2.643 1.00 42.23 O ATOM 149 CG2 THR A 12 4.084 -18.072 0.949 1.00 45.40 C ATOM 0 H THR A 12 2.745 -15.472 1.377 1.00 5.25 H new ATOM 0 HA THR A 12 1.739 -17.400 3.401 1.00 32.44 H new ATOM 0 HB THR A 12 2.000 -18.496 1.271 1.00 5.12 H new ATOM 0 HG1 THR A 12 3.115 -20.259 2.065 1.00 42.23 H new ATOM 0 HG21 THR A 12 4.310 -18.987 0.402 1.00 45.40 H new ATOM 0 HG22 THR A 12 3.845 -17.277 0.243 1.00 45.40 H new ATOM 0 HG23 THR A 12 4.950 -17.781 1.543 1.00 45.40 H new ATOM 157 N GLY A 13 3.752 -15.123 3.594 1.00 44.14 N ATOM 158 CA GLY A 13 4.468 -14.377 4.620 1.00 31.10 C ATOM 159 C GLY A 13 4.024 -12.924 4.592 1.00 10.42 C ATOM 160 O GLY A 13 3.746 -12.394 3.514 1.00 21.10 O ATOM 0 H GLY A 13 3.396 -14.532 2.842 1.00 44.14 H new ATOM 0 HA2 GLY A 13 4.273 -14.809 5.602 1.00 31.10 H new ATOM 0 HA3 GLY A 13 5.543 -14.443 4.450 1.00 31.10 H new ATOM 164 N LEU A 14 3.927 -12.303 5.772 1.00 44.44 N ATOM 165 CA LEU A 14 3.724 -10.876 5.968 1.00 31.11 C ATOM 166 C LEU A 14 4.598 -10.478 7.153 1.00 54.35 C ATOM 167 O LEU A 14 4.459 -11.058 8.234 1.00 44.34 O ATOM 168 CB LEU A 14 2.249 -10.545 6.280 1.00 53.15 C ATOM 169 CG LEU A 14 1.277 -10.669 5.091 1.00 73.14 C ATOM 170 CD1 LEU A 14 -0.161 -10.419 5.566 1.00 4.25 C ATOM 171 CD2 LEU A 14 1.588 -9.696 3.944 1.00 31.41 C ATOM 0 H LEU A 14 3.992 -12.811 6.654 1.00 44.44 H new ATOM 0 HA LEU A 14 3.985 -10.332 5.060 1.00 31.11 H new ATOM 0 HB2 LEU A 14 1.907 -11.205 7.077 1.00 53.15 H new ATOM 0 HB3 LEU A 14 2.197 -9.527 6.665 1.00 53.15 H new ATOM 0 HG LEU A 14 1.397 -11.681 4.705 1.00 73.14 H new ATOM 0 HD11 LEU A 14 -0.844 -10.508 4.721 1.00 4.25 H new ATOM 0 HD12 LEU A 14 -0.426 -11.154 6.326 1.00 4.25 H new ATOM 0 HD13 LEU A 14 -0.236 -9.417 5.989 1.00 4.25 H new ATOM 0 HD21 LEU A 14 0.865 -9.838 3.141 1.00 31.41 H new ATOM 0 HD22 LEU A 14 1.528 -8.671 4.310 1.00 31.41 H new ATOM 0 HD23 LEU A 14 2.592 -9.888 3.566 1.00 31.41 H new ATOM 182 N LYS A 15 5.451 -9.473 7.005 1.00 14.41 N ATOM 183 CA LYS A 15 6.263 -8.880 8.072 1.00 24.41 C ATOM 184 C LYS A 15 6.180 -7.375 7.933 1.00 25.11 C ATOM 185 O LYS A 15 5.724 -6.873 6.909 1.00 71.03 O ATOM 186 CB LYS A 15 7.718 -9.386 7.959 1.00 4.51 C ATOM 187 CG LYS A 15 8.007 -10.542 8.917 1.00 25.30 C ATOM 188 CD LYS A 15 8.340 -10.086 10.344 1.00 71.01 C ATOM 189 CE LYS A 15 7.333 -10.665 11.337 1.00 42.11 C ATOM 190 NZ LYS A 15 7.603 -10.188 12.703 1.00 11.40 N ATOM 0 H LYS A 15 5.606 -9.026 6.101 1.00 14.41 H new ATOM 0 HA LYS A 15 5.895 -9.169 9.057 1.00 24.41 H new ATOM 0 HB2 LYS A 15 7.909 -9.709 6.936 1.00 4.51 H new ATOM 0 HB3 LYS A 15 8.403 -8.564 8.168 1.00 4.51 H new ATOM 0 HG2 LYS A 15 7.141 -11.203 8.948 1.00 25.30 H new ATOM 0 HG3 LYS A 15 8.840 -11.127 8.527 1.00 25.30 H new ATOM 0 HD2 LYS A 15 9.347 -10.407 10.609 1.00 71.01 H new ATOM 0 HD3 LYS A 15 8.328 -8.997 10.397 1.00 71.01 H new ATOM 0 HE2 LYS A 15 6.323 -10.381 11.042 1.00 42.11 H new ATOM 0 HE3 LYS A 15 7.378 -11.754 11.313 1.00 42.11 H new ATOM 0 HZ1 LYS A 15 6.905 -10.596 13.357 1.00 11.40 H new ATOM 0 HZ2 LYS A 15 8.559 -10.480 12.990 1.00 11.40 H new ATOM 0 HZ3 LYS A 15 7.536 -9.150 12.728 1.00 11.40 H new ATOM 200 N LEU A 16 6.633 -6.635 8.938 1.00 10.53 N ATOM 201 CA LEU A 16 6.736 -5.190 8.841 1.00 4.52 C ATOM 202 C LEU A 16 8.099 -4.751 9.327 1.00 53.53 C ATOM 203 O LEU A 16 8.764 -5.453 10.091 1.00 70.04 O ATOM 204 CB LEU A 16 5.621 -4.495 9.643 1.00 43.43 C ATOM 205 CG LEU A 16 4.537 -3.883 8.743 1.00 50.41 C ATOM 206 CD1 LEU A 16 3.416 -4.901 8.498 1.00 4.10 C ATOM 207 CD2 LEU A 16 4.003 -2.605 9.382 1.00 72.15 C ATOM 0 H LEU A 16 6.936 -7.018 9.834 1.00 10.53 H new ATOM 0 HA LEU A 16 6.614 -4.899 7.798 1.00 4.52 H new ATOM 0 HB2 LEU A 16 5.162 -5.216 10.319 1.00 43.43 H new ATOM 0 HB3 LEU A 16 6.058 -3.712 10.262 1.00 43.43 H new ATOM 0 HG LEU A 16 4.967 -3.626 7.775 1.00 50.41 H new ATOM 0 HD11 LEU A 16 2.654 -4.456 7.859 1.00 4.10 H new ATOM 0 HD12 LEU A 16 3.827 -5.785 8.010 1.00 4.10 H new ATOM 0 HD13 LEU A 16 2.969 -5.187 9.450 1.00 4.10 H new ATOM 0 HD21 LEU A 16 3.234 -2.172 8.742 1.00 72.15 H new ATOM 0 HD22 LEU A 16 3.575 -2.837 10.357 1.00 72.15 H new ATOM 0 HD23 LEU A 16 4.818 -1.891 9.504 1.00 72.15 H new ATOM 218 N LYS A 17 8.482 -3.545 8.917 1.00 64.33 N ATOM 219 CA LYS A 17 9.671 -2.855 9.376 1.00 5.22 C ATOM 220 C LYS A 17 9.260 -1.444 9.760 1.00 42.32 C ATOM 221 O LYS A 17 9.318 -0.531 8.934 1.00 45.55 O ATOM 222 CB LYS A 17 10.813 -2.910 8.346 1.00 31.41 C ATOM 223 CG LYS A 17 10.387 -2.563 6.910 1.00 72.04 C ATOM 224 CD LYS A 17 10.079 -3.792 6.052 1.00 41.12 C ATOM 225 CE LYS A 17 11.317 -4.221 5.253 1.00 74.25 C ATOM 226 NZ LYS A 17 12.235 -5.074 6.033 1.00 63.24 N ATOM 0 H LYS A 17 7.951 -3.008 8.232 1.00 64.33 H new ATOM 0 HA LYS A 17 10.088 -3.353 10.252 1.00 5.22 H new ATOM 0 HB2 LYS A 17 11.599 -2.222 8.656 1.00 31.41 H new ATOM 0 HB3 LYS A 17 11.245 -3.911 8.353 1.00 31.41 H new ATOM 0 HG2 LYS A 17 9.505 -1.924 6.945 1.00 72.04 H new ATOM 0 HG3 LYS A 17 11.180 -1.986 6.433 1.00 72.04 H new ATOM 0 HD2 LYS A 17 9.749 -4.613 6.689 1.00 41.12 H new ATOM 0 HD3 LYS A 17 9.259 -3.569 5.369 1.00 41.12 H new ATOM 0 HE2 LYS A 17 10.999 -4.759 4.360 1.00 74.25 H new ATOM 0 HE3 LYS A 17 11.852 -3.333 4.916 1.00 74.25 H new ATOM 0 HZ1 LYS A 17 12.806 -5.653 5.385 1.00 63.24 H new ATOM 0 HZ2 LYS A 17 12.863 -4.475 6.606 1.00 63.24 H new ATOM 0 HZ3 LYS A 17 11.684 -5.696 6.658 1.00 63.24 H new ATOM 236 N ARG A 18 8.853 -1.247 11.017 1.00 70.34 N ATOM 237 CA ARG A 18 8.597 0.083 11.574 1.00 72.31 C ATOM 238 C ARG A 18 9.738 1.045 11.250 1.00 53.35 C ATOM 239 O ARG A 18 9.456 2.167 10.830 1.00 3.20 O ATOM 240 CB ARG A 18 8.322 0.018 13.090 1.00 65.25 C ATOM 241 CG ARG A 18 9.445 -0.650 13.900 1.00 64.15 C ATOM 242 CD ARG A 18 9.137 -0.744 15.399 1.00 50.42 C ATOM 243 NE ARG A 18 10.289 -1.321 16.103 1.00 53.24 N ATOM 244 CZ ARG A 18 10.736 -2.568 15.942 1.00 24.14 C ATOM 245 NH1 ARG A 18 9.888 -3.560 15.672 1.00 52.43 N ATOM 246 NH2 ARG A 18 12.037 -2.810 16.033 1.00 4.10 N ATOM 0 H ARG A 18 8.692 -2.007 11.678 1.00 70.34 H new ATOM 0 HA ARG A 18 7.695 0.471 11.100 1.00 72.31 H new ATOM 0 HB2 ARG A 18 8.170 1.030 13.465 1.00 65.25 H new ATOM 0 HB3 ARG A 18 7.393 -0.527 13.258 1.00 65.25 H new ATOM 0 HG2 ARG A 18 9.620 -1.652 13.508 1.00 64.15 H new ATOM 0 HG3 ARG A 18 10.368 -0.088 13.760 1.00 64.15 H new ATOM 0 HD2 ARG A 18 8.913 0.246 15.797 1.00 50.42 H new ATOM 0 HD3 ARG A 18 8.253 -1.361 15.561 1.00 50.42 H new ATOM 0 HE ARG A 18 10.785 -0.724 16.765 1.00 53.24 H new ATOM 0 HH11 ARG A 18 8.890 -3.369 15.587 1.00 52.43 H new ATOM 0 HH12 ARG A 18 10.237 -4.511 15.550 1.00 52.43 H new ATOM 0 HH21 ARG A 18 12.686 -2.046 16.224 1.00 4.10 H new ATOM 0 HH22 ARG A 18 12.389 -3.760 15.912 1.00 4.10 H new ATOM 257 N LYS A 19 10.988 0.563 11.311 1.00 25.11 N ATOM 258 CA LYS A 19 12.218 1.285 10.989 1.00 13.43 C ATOM 259 C LYS A 19 12.161 2.009 9.645 1.00 21.43 C ATOM 260 O LYS A 19 12.909 2.966 9.473 1.00 60.24 O ATOM 261 CB LYS A 19 13.414 0.315 11.000 1.00 64.45 C ATOM 262 CG LYS A 19 13.794 -0.200 12.403 1.00 2.11 C ATOM 263 CD LYS A 19 15.155 0.301 12.884 1.00 71.44 C ATOM 264 CE LYS A 19 15.143 1.808 13.129 1.00 65.11 C ATOM 265 NZ LYS A 19 16.471 2.274 13.567 1.00 13.51 N ATOM 0 H LYS A 19 11.173 -0.396 11.604 1.00 25.11 H new ATOM 0 HA LYS A 19 12.338 2.050 11.757 1.00 13.43 H new ATOM 0 HB2 LYS A 19 13.182 -0.538 10.362 1.00 64.45 H new ATOM 0 HB3 LYS A 19 14.278 0.815 10.562 1.00 64.45 H new ATOM 0 HG2 LYS A 19 13.029 0.109 13.115 1.00 2.11 H new ATOM 0 HG3 LYS A 19 13.799 -1.290 12.393 1.00 2.11 H new ATOM 0 HD2 LYS A 19 15.430 -0.216 13.804 1.00 71.44 H new ATOM 0 HD3 LYS A 19 15.916 0.058 12.142 1.00 71.44 H new ATOM 0 HE2 LYS A 19 14.852 2.328 12.216 1.00 65.11 H new ATOM 0 HE3 LYS A 19 14.398 2.053 13.886 1.00 65.11 H new ATOM 0 HZ1 LYS A 19 16.443 3.301 13.728 1.00 13.51 H new ATOM 0 HZ2 LYS A 19 16.734 1.792 14.450 1.00 13.51 H new ATOM 0 HZ3 LYS A 19 17.174 2.058 12.832 1.00 13.51 H new ATOM 275 N SER A 20 11.347 1.558 8.688 1.00 12.31 N ATOM 276 CA SER A 20 11.259 2.128 7.346 1.00 44.13 C ATOM 277 C SER A 20 9.803 2.340 6.905 1.00 43.52 C ATOM 278 O SER A 20 9.572 2.600 5.730 1.00 54.15 O ATOM 279 CB SER A 20 11.999 1.208 6.363 1.00 14.41 C ATOM 280 OG SER A 20 13.198 0.682 6.915 1.00 44.41 O ATOM 0 H SER A 20 10.717 0.768 8.830 1.00 12.31 H new ATOM 0 HA SER A 20 11.728 3.112 7.355 1.00 44.13 H new ATOM 0 HB2 SER A 20 11.344 0.386 6.074 1.00 14.41 H new ATOM 0 HB3 SER A 20 12.233 1.763 5.455 1.00 14.41 H new ATOM 0 HG SER A 20 13.634 0.102 6.257 1.00 44.41 H new ATOM 285 N ARG A 21 8.821 2.150 7.807 1.00 52.44 N ATOM 286 CA ARG A 21 7.378 2.089 7.510 1.00 3.13 C ATOM 287 C ARG A 21 7.049 1.247 6.278 1.00 65.22 C ATOM 288 O ARG A 21 6.141 1.560 5.507 1.00 31.03 O ATOM 289 CB ARG A 21 6.658 3.430 7.546 1.00 21.13 C ATOM 290 CG ARG A 21 7.067 4.419 6.476 1.00 23.42 C ATOM 291 CD ARG A 21 8.187 5.321 6.986 1.00 73.14 C ATOM 292 NE ARG A 21 9.156 5.627 5.928 1.00 14.14 N ATOM 293 CZ ARG A 21 10.084 6.579 6.017 1.00 2.21 C ATOM 294 NH1 ARG A 21 10.262 7.217 7.170 1.00 0.44 N ATOM 295 NH2 ARG A 21 10.822 6.864 4.956 1.00 42.33 N ATOM 0 H ARG A 21 9.019 2.030 8.800 1.00 52.44 H new ATOM 0 HA ARG A 21 6.955 1.548 8.357 1.00 3.13 H new ATOM 0 HB2 ARG A 21 5.587 3.250 7.459 1.00 21.13 H new ATOM 0 HB3 ARG A 21 6.826 3.887 8.521 1.00 21.13 H new ATOM 0 HG2 ARG A 21 7.399 3.885 5.586 1.00 23.42 H new ATOM 0 HG3 ARG A 21 6.209 5.024 6.184 1.00 23.42 H new ATOM 0 HD2 ARG A 21 7.762 6.248 7.371 1.00 73.14 H new ATOM 0 HD3 ARG A 21 8.697 4.835 7.818 1.00 73.14 H new ATOM 0 HE ARG A 21 9.117 5.076 5.070 1.00 14.14 H new ATOM 0 HH11 ARG A 21 9.690 6.977 7.980 1.00 0.44 H new ATOM 0 HH12 ARG A 21 10.971 7.947 7.245 1.00 0.44 H new ATOM 0 HH21 ARG A 21 10.677 6.357 4.083 1.00 42.33 H new ATOM 0 HH22 ARG A 21 11.536 7.591 5.011 1.00 42.33 H new ATOM 306 N GLN A 22 7.803 0.174 6.084 1.00 65.15 N ATOM 307 CA GLN A 22 7.612 -0.732 4.975 1.00 33.30 C ATOM 308 C GLN A 22 7.036 -2.042 5.503 1.00 12.50 C ATOM 309 O GLN A 22 7.057 -2.319 6.710 1.00 14.44 O ATOM 310 CB GLN A 22 8.927 -0.889 4.197 1.00 62.34 C ATOM 311 CG GLN A 22 8.997 0.002 2.951 1.00 2.13 C ATOM 312 CD GLN A 22 10.087 -0.498 2.013 1.00 61.05 C ATOM 313 OE1 GLN A 22 9.820 -1.188 1.032 1.00 5.14 O ATOM 314 NE2 GLN A 22 11.339 -0.235 2.323 1.00 35.40 N ATOM 0 H GLN A 22 8.571 -0.089 6.702 1.00 65.15 H new ATOM 0 HA GLN A 22 6.891 -0.338 4.258 1.00 33.30 H new ATOM 0 HB2 GLN A 22 9.763 -0.650 4.855 1.00 62.34 H new ATOM 0 HB3 GLN A 22 9.044 -1.931 3.899 1.00 62.34 H new ATOM 0 HG2 GLN A 22 8.035 -0.000 2.438 1.00 2.13 H new ATOM 0 HG3 GLN A 22 9.201 1.033 3.242 1.00 2.13 H new ATOM 0 HE21 GLN A 22 11.553 0.339 3.139 1.00 35.40 H new ATOM 0 HE22 GLN A 22 12.095 -0.605 1.747 1.00 35.40 H new ATOM 321 N LEU A 23 6.530 -2.848 4.580 1.00 54.11 N ATOM 322 CA LEU A 23 5.664 -3.970 4.839 1.00 2.24 C ATOM 323 C LEU A 23 6.013 -5.063 3.852 1.00 23.03 C ATOM 324 O LEU A 23 5.912 -4.868 2.647 1.00 30.51 O ATOM 325 CB LEU A 23 4.209 -3.467 4.721 1.00 22.20 C ATOM 326 CG LEU A 23 3.098 -4.522 4.865 1.00 23.14 C ATOM 327 CD1 LEU A 23 1.784 -3.821 5.242 1.00 34.52 C ATOM 328 CD2 LEU A 23 2.831 -5.339 3.603 1.00 53.21 C ATOM 0 H LEU A 23 6.726 -2.724 3.587 1.00 54.11 H new ATOM 0 HA LEU A 23 5.786 -4.390 5.837 1.00 2.24 H new ATOM 0 HB2 LEU A 23 4.051 -2.701 5.481 1.00 22.20 H new ATOM 0 HB3 LEU A 23 4.094 -2.983 3.751 1.00 22.20 H new ATOM 0 HG LEU A 23 3.449 -5.212 5.632 1.00 23.14 H new ATOM 0 HD11 LEU A 23 0.992 -4.563 5.346 1.00 34.52 H new ATOM 0 HD12 LEU A 23 1.912 -3.292 6.187 1.00 34.52 H new ATOM 0 HD13 LEU A 23 1.514 -3.109 4.462 1.00 34.52 H new ATOM 0 HD21 LEU A 23 2.034 -6.057 3.796 1.00 53.21 H new ATOM 0 HD22 LEU A 23 2.531 -4.672 2.795 1.00 53.21 H new ATOM 0 HD23 LEU A 23 3.737 -5.872 3.316 1.00 53.21 H new ATOM 339 N GLU A 24 6.529 -6.167 4.373 1.00 44.45 N ATOM 340 CA GLU A 24 7.129 -7.263 3.622 1.00 32.02 C ATOM 341 C GLU A 24 6.063 -8.306 3.328 1.00 22.30 C ATOM 342 O GLU A 24 5.129 -8.468 4.119 1.00 4.33 O ATOM 343 CB GLU A 24 8.246 -7.925 4.443 1.00 62.45 C ATOM 344 CG GLU A 24 9.258 -6.924 5.000 1.00 1.23 C ATOM 345 CD GLU A 24 10.336 -7.541 5.897 1.00 13.14 C ATOM 346 OE1 GLU A 24 11.132 -8.393 5.446 1.00 61.42 O ATOM 347 OE2 GLU A 24 10.520 -7.027 7.025 1.00 74.41 O ATOM 0 H GLU A 24 6.542 -6.332 5.380 1.00 44.45 H new ATOM 0 HA GLU A 24 7.546 -6.868 2.696 1.00 32.02 H new ATOM 0 HB2 GLU A 24 7.801 -8.480 5.269 1.00 62.45 H new ATOM 0 HB3 GLU A 24 8.768 -8.649 3.817 1.00 62.45 H new ATOM 0 HG2 GLU A 24 9.744 -6.416 4.167 1.00 1.23 H new ATOM 0 HG3 GLU A 24 8.722 -6.163 5.568 1.00 1.23 H new ATOM 352 N ILE A 25 6.200 -8.993 2.192 1.00 4.31 N ATOM 353 CA ILE A 25 5.163 -9.802 1.580 1.00 33.44 C ATOM 354 C ILE A 25 5.879 -10.958 0.878 1.00 12.21 C ATOM 355 O ILE A 25 6.794 -10.706 0.087 1.00 3.10 O ATOM 356 CB ILE A 25 4.375 -8.929 0.566 1.00 73.22 C ATOM 357 CG1 ILE A 25 3.763 -7.653 1.204 1.00 53.12 C ATOM 358 CG2 ILE A 25 3.256 -9.753 -0.095 1.00 53.03 C ATOM 359 CD1 ILE A 25 3.160 -6.669 0.202 1.00 71.23 C ATOM 0 H ILE A 25 7.070 -8.996 1.660 1.00 4.31 H new ATOM 0 HA ILE A 25 4.450 -10.187 2.309 1.00 33.44 H new ATOM 0 HB ILE A 25 5.099 -8.604 -0.182 1.00 73.22 H new ATOM 0 HG12 ILE A 25 2.989 -7.951 1.911 1.00 53.12 H new ATOM 0 HG13 ILE A 25 4.537 -7.141 1.776 1.00 53.12 H new ATOM 0 HG21 ILE A 25 2.713 -9.127 -0.803 1.00 53.03 H new ATOM 0 HG22 ILE A 25 3.692 -10.602 -0.621 1.00 53.03 H new ATOM 0 HG23 ILE A 25 2.569 -10.114 0.671 1.00 53.03 H new ATOM 0 HD11 ILE A 25 2.756 -5.808 0.735 1.00 71.23 H new ATOM 0 HD12 ILE A 25 3.933 -6.337 -0.491 1.00 71.23 H new ATOM 0 HD13 ILE A 25 2.361 -7.159 -0.353 1.00 71.23 H new ATOM 370 N SER A 26 5.435 -12.197 1.095 1.00 54.45 N ATOM 371 CA SER A 26 5.905 -13.380 0.381 1.00 72.55 C ATOM 372 C SER A 26 4.723 -14.093 -0.260 1.00 43.20 C ATOM 373 O SER A 26 3.643 -14.173 0.334 1.00 70.31 O ATOM 374 CB SER A 26 6.667 -14.298 1.343 1.00 25.04 C ATOM 375 OG SER A 26 7.163 -15.448 0.690 1.00 32.43 O ATOM 0 H SER A 26 4.720 -12.408 1.791 1.00 54.45 H new ATOM 0 HA SER A 26 6.592 -13.087 -0.413 1.00 72.55 H new ATOM 0 HB2 SER A 26 7.495 -13.748 1.790 1.00 25.04 H new ATOM 0 HB3 SER A 26 6.008 -14.599 2.157 1.00 25.04 H new ATOM 0 HG SER A 26 7.644 -16.008 1.334 1.00 32.43 H new ATOM 380 N PHE A 27 4.957 -14.658 -1.444 1.00 52.12 N ATOM 381 CA PHE A 27 3.999 -15.438 -2.214 1.00 73.52 C ATOM 382 C PHE A 27 4.496 -16.866 -2.371 1.00 54.13 C ATOM 383 O PHE A 27 5.691 -17.095 -2.555 1.00 21.43 O ATOM 384 CB PHE A 27 3.805 -14.820 -3.605 1.00 10.35 C ATOM 385 CG PHE A 27 2.751 -13.745 -3.680 1.00 4.32 C ATOM 386 CD1 PHE A 27 1.437 -14.065 -3.311 1.00 3.42 C ATOM 387 CD2 PHE A 27 3.037 -12.473 -4.195 1.00 51.34 C ATOM 388 CE1 PHE A 27 0.410 -13.121 -3.410 1.00 51.03 C ATOM 389 CE2 PHE A 27 1.998 -11.536 -4.332 1.00 24.55 C ATOM 390 CZ PHE A 27 0.691 -11.851 -3.930 1.00 70.22 C ATOM 0 H PHE A 27 5.861 -14.579 -1.910 1.00 52.12 H new ATOM 0 HA PHE A 27 3.048 -15.437 -1.681 1.00 73.52 H new ATOM 0 HB2 PHE A 27 4.755 -14.401 -3.936 1.00 10.35 H new ATOM 0 HB3 PHE A 27 3.545 -15.613 -4.306 1.00 10.35 H new ATOM 0 HD1 PHE A 27 1.214 -15.056 -2.944 1.00 3.42 H new ATOM 0 HD2 PHE A 27 4.045 -12.215 -4.484 1.00 51.34 H new ATOM 0 HE1 PHE A 27 -0.591 -13.369 -3.088 1.00 51.03 H new ATOM 0 HE2 PHE A 27 2.208 -10.563 -4.751 1.00 24.55 H new ATOM 0 HZ PHE A 27 -0.096 -11.117 -4.021 1.00 70.22 H new ATOM 399 N ASP A 28 3.575 -17.827 -2.402 1.00 73.50 N ATOM 400 CA ASP A 28 3.907 -19.257 -2.319 1.00 12.13 C ATOM 401 C ASP A 28 4.307 -19.831 -3.690 1.00 61.32 C ATOM 402 O ASP A 28 4.421 -21.039 -3.885 1.00 33.53 O ATOM 403 CB ASP A 28 2.717 -19.973 -1.658 1.00 51.04 C ATOM 404 CG ASP A 28 3.092 -21.226 -0.860 1.00 44.14 C ATOM 405 OD1 ASP A 28 3.399 -22.283 -1.467 1.00 41.11 O ATOM 406 OD2 ASP A 28 2.910 -21.192 0.379 1.00 45.20 O ATOM 0 H ASP A 28 2.576 -17.641 -2.485 1.00 73.50 H new ATOM 0 HA ASP A 28 4.790 -19.417 -1.701 1.00 12.13 H new ATOM 0 HB2 ASP A 28 2.211 -19.272 -0.993 1.00 51.04 H new ATOM 0 HB3 ASP A 28 2.001 -20.251 -2.432 1.00 51.04 H new ATOM 410 N ASN A 29 4.518 -18.942 -4.669 1.00 31.34 N ATOM 411 CA ASN A 29 5.022 -19.234 -6.010 1.00 33.54 C ATOM 412 C ASN A 29 6.518 -18.920 -6.154 1.00 51.12 C ATOM 413 O ASN A 29 7.043 -19.016 -7.260 1.00 43.00 O ATOM 414 CB ASN A 29 4.190 -18.506 -7.082 1.00 73.51 C ATOM 415 CG ASN A 29 4.701 -17.125 -7.476 1.00 44.13 C ATOM 416 OD1 ASN A 29 4.721 -16.165 -6.570 1.00 25.35 O flip ATOM 417 ND2 ASN A 29 5.125 -16.899 -8.600 1.00 54.33 N flip ATOM 0 H ASN A 29 4.331 -17.948 -4.536 1.00 31.34 H new ATOM 0 HA ASN A 29 4.913 -20.307 -6.166 1.00 33.54 H new ATOM 0 HB2 ASN A 29 4.153 -19.130 -7.975 1.00 73.51 H new ATOM 0 HB3 ASN A 29 3.167 -18.407 -6.719 1.00 73.51 H new ATOM 0 HD21 ASN A 29 5.114 -17.634 -9.307 1.00 54.33 H new ATOM 0 HD22 ASN A 29 5.490 -15.975 -8.831 1.00 54.33 H new ATOM 423 N GLY A 30 7.215 -18.555 -5.074 1.00 34.52 N ATOM 424 CA GLY A 30 8.632 -18.208 -5.113 1.00 23.13 C ATOM 425 C GLY A 30 8.855 -16.791 -5.624 1.00 21.55 C ATOM 426 O GLY A 30 9.630 -16.594 -6.553 1.00 64.24 O ATOM 0 H GLY A 30 6.805 -18.493 -4.142 1.00 34.52 H new ATOM 0 HA2 GLY A 30 9.057 -18.305 -4.114 1.00 23.13 H new ATOM 0 HA3 GLY A 30 9.161 -18.913 -5.754 1.00 23.13 H new ATOM 430 N GLN A 31 8.170 -15.816 -5.021 1.00 62.21 N ATOM 431 CA GLN A 31 8.442 -14.391 -5.169 1.00 5.05 C ATOM 432 C GLN A 31 8.333 -13.752 -3.779 1.00 25.35 C ATOM 433 O GLN A 31 7.649 -14.288 -2.894 1.00 43.00 O ATOM 434 CB GLN A 31 7.439 -13.740 -6.140 1.00 52.44 C ATOM 435 CG GLN A 31 7.565 -14.177 -7.610 1.00 61.13 C ATOM 436 CD GLN A 31 8.864 -13.763 -8.306 1.00 50.31 C ATOM 437 OE1 GLN A 31 9.563 -14.574 -8.912 1.00 33.24 O ATOM 438 NE2 GLN A 31 9.206 -12.487 -8.298 1.00 22.54 N ATOM 0 H GLN A 31 7.386 -16.007 -4.397 1.00 62.21 H new ATOM 0 HA GLN A 31 9.439 -14.240 -5.583 1.00 5.05 H new ATOM 0 HB2 GLN A 31 6.429 -13.965 -5.797 1.00 52.44 H new ATOM 0 HB3 GLN A 31 7.560 -12.658 -6.089 1.00 52.44 H new ATOM 0 HG2 GLN A 31 7.476 -15.262 -7.658 1.00 61.13 H new ATOM 0 HG3 GLN A 31 6.725 -13.763 -8.168 1.00 61.13 H new ATOM 0 HE21 GLN A 31 8.632 -11.808 -7.798 1.00 22.54 H new ATOM 0 HE22 GLN A 31 10.044 -12.181 -8.792 1.00 22.54 H new ATOM 445 N GLN A 32 8.973 -12.602 -3.595 1.00 70.44 N ATOM 446 CA GLN A 32 8.970 -11.805 -2.371 1.00 74.51 C ATOM 447 C GLN A 32 9.135 -10.332 -2.746 1.00 45.35 C ATOM 448 O GLN A 32 9.826 -10.014 -3.716 1.00 21.33 O ATOM 449 CB GLN A 32 10.099 -12.260 -1.415 1.00 71.51 C ATOM 450 CG GLN A 32 9.506 -12.852 -0.135 1.00 44.32 C ATOM 451 CD GLN A 32 10.549 -13.268 0.898 1.00 64.43 C ATOM 452 OE1 GLN A 32 10.960 -12.459 1.726 1.00 34.32 O ATOM 453 NE2 GLN A 32 10.952 -14.527 0.948 1.00 72.41 N ATOM 0 H GLN A 32 9.537 -12.178 -4.332 1.00 70.44 H new ATOM 0 HA GLN A 32 8.025 -11.944 -1.847 1.00 74.51 H new ATOM 0 HB2 GLN A 32 10.727 -13.001 -1.910 1.00 71.51 H new ATOM 0 HB3 GLN A 32 10.740 -11.413 -1.169 1.00 71.51 H new ATOM 0 HG2 GLN A 32 8.836 -12.120 0.315 1.00 44.32 H new ATOM 0 HG3 GLN A 32 8.901 -13.720 -0.395 1.00 44.32 H new ATOM 0 HE21 GLN A 32 10.611 -15.199 0.261 1.00 72.41 H new ATOM 0 HE22 GLN A 32 11.604 -14.825 1.674 1.00 72.41 H new ATOM 460 N PHE A 33 8.519 -9.425 -1.985 1.00 1.03 N ATOM 461 CA PHE A 33 8.653 -7.982 -2.168 1.00 64.22 C ATOM 462 C PHE A 33 8.226 -7.245 -0.899 1.00 1.41 C ATOM 463 O PHE A 33 7.871 -7.864 0.107 1.00 45.41 O ATOM 464 CB PHE A 33 7.842 -7.528 -3.389 1.00 1.42 C ATOM 465 CG PHE A 33 6.396 -7.963 -3.446 1.00 2.05 C ATOM 466 CD1 PHE A 33 5.419 -7.242 -2.737 1.00 4.41 C ATOM 467 CD2 PHE A 33 6.010 -8.990 -4.323 1.00 74.24 C ATOM 468 CE1 PHE A 33 4.059 -7.520 -2.943 1.00 42.20 C ATOM 469 CE2 PHE A 33 4.648 -9.272 -4.516 1.00 30.51 C ATOM 470 CZ PHE A 33 3.673 -8.532 -3.828 1.00 22.15 C ATOM 0 H PHE A 33 7.903 -9.679 -1.212 1.00 1.03 H new ATOM 0 HA PHE A 33 9.699 -7.738 -2.354 1.00 64.22 H new ATOM 0 HB2 PHE A 33 7.871 -6.439 -3.431 1.00 1.42 H new ATOM 0 HB3 PHE A 33 8.343 -7.895 -4.285 1.00 1.42 H new ATOM 0 HD1 PHE A 33 5.715 -6.476 -2.035 1.00 4.41 H new ATOM 0 HD2 PHE A 33 6.760 -9.562 -4.848 1.00 74.24 H new ATOM 0 HE1 PHE A 33 3.308 -6.950 -2.416 1.00 42.20 H new ATOM 0 HE2 PHE A 33 4.350 -10.058 -5.194 1.00 30.51 H new ATOM 0 HZ PHE A 33 2.625 -8.744 -3.982 1.00 22.15 H new ATOM 479 N THR A 34 8.276 -5.914 -0.897 1.00 65.55 N ATOM 480 CA THR A 34 7.921 -5.096 0.252 1.00 62.34 C ATOM 481 C THR A 34 7.369 -3.761 -0.253 1.00 70.32 C ATOM 482 O THR A 34 7.937 -3.195 -1.182 1.00 63.41 O ATOM 483 CB THR A 34 9.195 -4.901 1.089 1.00 61.15 C ATOM 484 OG1 THR A 34 9.733 -6.147 1.505 1.00 2.14 O ATOM 485 CG2 THR A 34 9.055 -4.042 2.339 1.00 5.52 C ATOM 0 H THR A 34 8.569 -5.369 -1.708 1.00 65.55 H new ATOM 0 HA THR A 34 7.156 -5.565 0.870 1.00 62.34 H new ATOM 0 HB THR A 34 9.851 -4.368 0.401 1.00 61.15 H new ATOM 0 HG1 THR A 34 10.543 -5.993 2.034 1.00 2.14 H new ATOM 0 HG21 THR A 34 10.018 -3.977 2.846 1.00 5.52 H new ATOM 0 HG22 THR A 34 8.725 -3.042 2.058 1.00 5.52 H new ATOM 0 HG23 THR A 34 8.322 -4.491 3.009 1.00 5.52 H new ATOM 493 N LEU A 35 6.305 -3.255 0.375 1.00 51.35 N ATOM 494 CA LEU A 35 5.640 -1.998 0.031 1.00 45.45 C ATOM 495 C LEU A 35 5.648 -1.022 1.207 1.00 23.43 C ATOM 496 O LEU A 35 5.783 -1.443 2.355 1.00 2.33 O ATOM 497 CB LEU A 35 4.197 -2.297 -0.388 1.00 22.30 C ATOM 498 CG LEU A 35 4.116 -2.691 -1.869 1.00 21.31 C ATOM 499 CD1 LEU A 35 2.798 -3.417 -2.114 1.00 52.23 C ATOM 500 CD2 LEU A 35 4.187 -1.440 -2.746 1.00 65.42 C ATOM 0 H LEU A 35 5.868 -3.728 1.166 1.00 51.35 H new ATOM 0 HA LEU A 35 6.182 -1.531 -0.791 1.00 45.45 H new ATOM 0 HB2 LEU A 35 3.797 -3.103 0.227 1.00 22.30 H new ATOM 0 HB3 LEU A 35 3.575 -1.420 -0.208 1.00 22.30 H new ATOM 0 HG LEU A 35 4.951 -3.344 -2.121 1.00 21.31 H new ATOM 0 HD11 LEU A 35 2.729 -3.702 -3.164 1.00 52.23 H new ATOM 0 HD12 LEU A 35 2.754 -4.311 -1.492 1.00 52.23 H new ATOM 0 HD13 LEU A 35 1.967 -2.758 -1.862 1.00 52.23 H new ATOM 0 HD21 LEU A 35 4.129 -1.728 -3.796 1.00 65.42 H new ATOM 0 HD22 LEU A 35 3.355 -0.779 -2.504 1.00 65.42 H new ATOM 0 HD23 LEU A 35 5.128 -0.921 -2.564 1.00 65.42 H new ATOM 511 N SER A 36 5.464 0.271 0.945 1.00 24.12 N ATOM 512 CA SER A 36 5.469 1.319 1.963 1.00 24.43 C ATOM 513 C SER A 36 4.043 1.557 2.461 1.00 44.41 C ATOM 514 O SER A 36 3.136 1.742 1.648 1.00 24.33 O ATOM 515 CB SER A 36 6.055 2.608 1.376 1.00 43.05 C ATOM 516 OG SER A 36 7.377 2.402 0.911 1.00 15.04 O ATOM 0 H SER A 36 5.304 0.625 0.002 1.00 24.12 H new ATOM 0 HA SER A 36 6.087 1.007 2.805 1.00 24.43 H new ATOM 0 HB2 SER A 36 5.428 2.955 0.555 1.00 43.05 H new ATOM 0 HB3 SER A 36 6.051 3.391 2.134 1.00 43.05 H new ATOM 0 HG SER A 36 7.727 3.239 0.540 1.00 15.04 H new ATOM 521 N CYS A 37 3.842 1.621 3.785 1.00 70.33 N ATOM 522 CA CYS A 37 2.564 1.963 4.418 1.00 4.14 C ATOM 523 C CYS A 37 2.015 3.309 3.912 1.00 65.24 C ATOM 524 O CYS A 37 0.803 3.518 3.907 1.00 54.32 O ATOM 525 CB CYS A 37 2.754 2.017 5.939 1.00 1.33 C ATOM 526 SG CYS A 37 3.091 0.354 6.591 1.00 54.52 S ATOM 0 H CYS A 37 4.583 1.431 4.460 1.00 70.33 H new ATOM 0 HA CYS A 37 1.838 1.194 4.155 1.00 4.14 H new ATOM 0 HB2 CYS A 37 3.578 2.686 6.186 1.00 1.33 H new ATOM 0 HB3 CYS A 37 1.860 2.426 6.410 1.00 1.33 H new ATOM 0 HG CYS A 37 3.252 0.417 7.879 1.00 54.52 H new ATOM 531 N GLU A 38 2.897 4.225 3.501 1.00 50.13 N ATOM 532 CA GLU A 38 2.552 5.493 2.870 1.00 24.30 C ATOM 533 C GLU A 38 1.836 5.232 1.537 1.00 13.23 C ATOM 534 O GLU A 38 0.672 5.614 1.395 1.00 52.45 O ATOM 535 CB GLU A 38 3.832 6.326 2.721 1.00 62.54 C ATOM 536 CG GLU A 38 3.606 7.703 2.082 1.00 61.32 C ATOM 537 CD GLU A 38 4.896 8.533 2.020 1.00 62.21 C ATOM 538 OE1 GLU A 38 5.950 7.960 1.631 1.00 21.23 O ATOM 539 OE2 GLU A 38 4.837 9.746 2.321 1.00 63.52 O ATOM 0 H GLU A 38 3.903 4.095 3.604 1.00 50.13 H new ATOM 0 HA GLU A 38 1.856 6.065 3.483 1.00 24.30 H new ATOM 0 HB2 GLU A 38 4.282 6.462 3.704 1.00 62.54 H new ATOM 0 HB3 GLU A 38 4.548 5.769 2.117 1.00 62.54 H new ATOM 0 HG2 GLU A 38 3.211 7.574 1.074 1.00 61.32 H new ATOM 0 HG3 GLU A 38 2.853 8.247 2.652 1.00 61.32 H new ATOM 544 N LEU A 39 2.495 4.546 0.588 1.00 4.04 N ATOM 545 CA LEU A 39 1.925 4.218 -0.721 1.00 71.11 C ATOM 546 C LEU A 39 0.627 3.432 -0.545 1.00 52.04 C ATOM 547 O LEU A 39 -0.389 3.801 -1.129 1.00 72.31 O ATOM 548 CB LEU A 39 2.908 3.438 -1.616 1.00 32.23 C ATOM 549 CG LEU A 39 2.365 3.269 -3.060 1.00 60.40 C ATOM 550 CD1 LEU A 39 2.456 4.574 -3.861 1.00 62.40 C ATOM 551 CD2 LEU A 39 3.137 2.170 -3.794 1.00 54.43 C ATOM 0 H LEU A 39 3.447 4.202 0.713 1.00 4.04 H new ATOM 0 HA LEU A 39 1.715 5.160 -1.227 1.00 71.11 H new ATOM 0 HB2 LEU A 39 3.864 3.960 -1.646 1.00 32.23 H new ATOM 0 HB3 LEU A 39 3.095 2.456 -1.181 1.00 32.23 H new ATOM 0 HG LEU A 39 1.314 2.991 -2.978 1.00 60.40 H new ATOM 0 HD11 LEU A 39 2.066 4.412 -4.866 1.00 62.40 H new ATOM 0 HD12 LEU A 39 1.870 5.347 -3.364 1.00 62.40 H new ATOM 0 HD13 LEU A 39 3.497 4.891 -3.923 1.00 62.40 H new ATOM 0 HD21 LEU A 39 2.745 2.063 -4.805 1.00 54.43 H new ATOM 0 HD22 LEU A 39 4.193 2.436 -3.841 1.00 54.43 H new ATOM 0 HD23 LEU A 39 3.024 1.227 -3.259 1.00 54.43 H new ATOM 562 N LEU A 40 0.644 2.398 0.307 1.00 1.15 N ATOM 563 CA LEU A 40 -0.535 1.604 0.654 1.00 21.21 C ATOM 564 C LEU A 40 -1.721 2.514 1.012 1.00 63.34 C ATOM 565 O LEU A 40 -2.839 2.225 0.591 1.00 12.44 O ATOM 566 CB LEU A 40 -0.217 0.620 1.807 1.00 4.22 C ATOM 567 CG LEU A 40 0.276 -0.823 1.508 1.00 13.24 C ATOM 568 CD1 LEU A 40 0.460 -1.160 0.026 1.00 31.12 C ATOM 569 CD2 LEU A 40 1.561 -1.194 2.270 1.00 12.30 C ATOM 0 H LEU A 40 1.493 2.087 0.780 1.00 1.15 H new ATOM 0 HA LEU A 40 -0.817 1.015 -0.219 1.00 21.21 H new ATOM 0 HB2 LEU A 40 0.539 1.094 2.433 1.00 4.22 H new ATOM 0 HB3 LEU A 40 -1.120 0.531 2.411 1.00 4.22 H new ATOM 0 HG LEU A 40 -0.552 -1.430 1.873 1.00 13.24 H new ATOM 0 HD11 LEU A 40 0.806 -2.189 -0.073 1.00 31.12 H new ATOM 0 HD12 LEU A 40 -0.491 -1.045 -0.494 1.00 31.12 H new ATOM 0 HD13 LEU A 40 1.196 -0.486 -0.412 1.00 31.12 H new ATOM 0 HD21 LEU A 40 1.852 -2.214 2.017 1.00 12.30 H new ATOM 0 HD22 LEU A 40 2.361 -0.508 1.990 1.00 12.30 H new ATOM 0 HD23 LEU A 40 1.381 -1.123 3.343 1.00 12.30 H new ATOM 580 N ARG A 41 -1.512 3.598 1.779 1.00 64.51 N ATOM 581 CA ARG A 41 -2.605 4.488 2.175 1.00 74.22 C ATOM 582 C ARG A 41 -3.104 5.219 0.954 1.00 54.20 C ATOM 583 O ARG A 41 -4.300 5.162 0.671 1.00 4.15 O ATOM 584 CB ARG A 41 -2.184 5.454 3.301 1.00 4.11 C ATOM 585 CG ARG A 41 -3.293 6.400 3.810 1.00 12.23 C ATOM 586 CD ARG A 41 -4.598 5.702 4.229 1.00 31.43 C ATOM 587 NE ARG A 41 -5.346 6.438 5.274 1.00 23.31 N ATOM 588 CZ ARG A 41 -5.959 7.634 5.197 1.00 51.34 C ATOM 589 NH1 ARG A 41 -5.966 8.355 4.078 1.00 11.33 N ATOM 590 NH2 ARG A 41 -6.543 8.121 6.287 1.00 13.15 N ATOM 0 H ARG A 41 -0.597 3.874 2.134 1.00 64.51 H new ATOM 0 HA ARG A 41 -3.419 3.893 2.589 1.00 74.22 H new ATOM 0 HB2 ARG A 41 -1.817 4.866 4.142 1.00 4.11 H new ATOM 0 HB3 ARG A 41 -1.349 6.058 2.945 1.00 4.11 H new ATOM 0 HG2 ARG A 41 -2.909 6.961 4.662 1.00 12.23 H new ATOM 0 HG3 ARG A 41 -3.520 7.124 3.027 1.00 12.23 H new ATOM 0 HD2 ARG A 41 -5.235 5.581 3.353 1.00 31.43 H new ATOM 0 HD3 ARG A 41 -4.366 4.702 4.594 1.00 31.43 H new ATOM 0 HE ARG A 41 -5.405 5.973 6.180 1.00 23.31 H new ATOM 0 HH11 ARG A 41 -5.497 8.005 3.243 1.00 11.33 H new ATOM 0 HH12 ARG A 41 -6.441 9.258 4.056 1.00 11.33 H new ATOM 0 HH21 ARG A 41 -6.521 7.590 7.158 1.00 13.15 H new ATOM 0 HH22 ARG A 41 -7.014 9.025 6.253 1.00 13.15 H new ATOM 601 N VAL A 42 -2.239 5.956 0.267 1.00 34.13 N ATOM 602 CA VAL A 42 -2.701 6.835 -0.797 1.00 15.45 C ATOM 603 C VAL A 42 -3.312 6.039 -1.951 1.00 34.54 C ATOM 604 O VAL A 42 -4.259 6.523 -2.573 1.00 64.54 O ATOM 605 CB VAL A 42 -1.595 7.814 -1.222 1.00 61.10 C ATOM 606 CG1 VAL A 42 -1.139 8.601 0.023 1.00 31.43 C ATOM 607 CG2 VAL A 42 -0.385 7.135 -1.872 1.00 35.11 C ATOM 0 H VAL A 42 -1.231 5.963 0.424 1.00 34.13 H new ATOM 0 HA VAL A 42 -3.512 7.455 -0.415 1.00 15.45 H new ATOM 0 HB VAL A 42 -2.017 8.471 -1.983 1.00 61.10 H new ATOM 0 HG11 VAL A 42 -0.353 9.302 -0.258 1.00 31.43 H new ATOM 0 HG12 VAL A 42 -1.985 9.150 0.436 1.00 31.43 H new ATOM 0 HG13 VAL A 42 -0.756 7.908 0.772 1.00 31.43 H new ATOM 0 HG21 VAL A 42 0.353 7.890 -2.145 1.00 35.11 H new ATOM 0 HG22 VAL A 42 0.059 6.431 -1.168 1.00 35.11 H new ATOM 0 HG23 VAL A 42 -0.705 6.600 -2.766 1.00 35.11 H new ATOM 617 N TYR A 43 -2.865 4.799 -2.170 1.00 12.04 N ATOM 618 CA TYR A 43 -3.324 3.914 -3.230 1.00 44.30 C ATOM 619 C TYR A 43 -4.314 2.863 -2.694 1.00 30.44 C ATOM 620 O TYR A 43 -4.228 1.676 -3.026 1.00 4.34 O ATOM 621 CB TYR A 43 -2.116 3.284 -3.945 1.00 11.21 C ATOM 622 CG TYR A 43 -2.313 3.212 -5.447 1.00 53.11 C ATOM 623 CD1 TYR A 43 -3.440 2.592 -6.024 1.00 12.05 C ATOM 624 CD2 TYR A 43 -1.390 3.860 -6.276 1.00 52.02 C ATOM 625 CE1 TYR A 43 -3.672 2.670 -7.407 1.00 33.15 C ATOM 626 CE2 TYR A 43 -1.636 3.976 -7.649 1.00 53.24 C ATOM 627 CZ TYR A 43 -2.778 3.387 -8.227 1.00 52.23 C ATOM 628 OH TYR A 43 -3.020 3.584 -9.552 1.00 0.14 O ATOM 0 H TYR A 43 -2.145 4.373 -1.587 1.00 12.04 H new ATOM 0 HA TYR A 43 -3.876 4.497 -3.967 1.00 44.30 H new ATOM 0 HB2 TYR A 43 -1.221 3.867 -3.725 1.00 11.21 H new ATOM 0 HB3 TYR A 43 -1.947 2.281 -3.554 1.00 11.21 H new ATOM 0 HD1 TYR A 43 -4.132 2.051 -5.396 1.00 12.05 H new ATOM 0 HD2 TYR A 43 -0.485 4.272 -5.855 1.00 52.02 H new ATOM 0 HE1 TYR A 43 -4.533 2.182 -7.840 1.00 33.15 H new ATOM 0 HE2 TYR A 43 -0.943 4.523 -8.272 1.00 53.24 H new ATOM 0 HH TYR A 43 -2.344 4.190 -9.921 1.00 0.14 H new ATOM 637 N SER A 44 -5.239 3.247 -1.807 1.00 73.34 N ATOM 638 CA SER A 44 -6.205 2.288 -1.288 1.00 52.14 C ATOM 639 C SER A 44 -7.085 1.747 -2.434 1.00 25.22 C ATOM 640 O SER A 44 -7.449 2.527 -3.318 1.00 43.41 O ATOM 641 CB SER A 44 -7.121 2.959 -0.277 1.00 3.21 C ATOM 642 OG SER A 44 -6.448 3.552 0.818 1.00 50.32 O ATOM 0 H SER A 44 -5.334 4.195 -1.443 1.00 73.34 H new ATOM 0 HA SER A 44 -5.652 1.475 -0.817 1.00 52.14 H new ATOM 0 HB2 SER A 44 -7.705 3.725 -0.787 1.00 3.21 H new ATOM 0 HB3 SER A 44 -7.826 2.220 0.103 1.00 3.21 H new ATOM 0 HG SER A 44 -5.738 4.141 0.486 1.00 50.32 H new ATOM 647 N PRO A 45 -7.517 0.473 -2.397 1.00 25.51 N ATOM 648 CA PRO A 45 -8.444 -0.097 -3.373 1.00 23.44 C ATOM 649 C PRO A 45 -9.869 0.448 -3.217 1.00 70.20 C ATOM 650 O PRO A 45 -10.635 0.401 -4.177 1.00 65.33 O ATOM 651 CB PRO A 45 -8.389 -1.614 -3.147 1.00 54.02 C ATOM 652 CG PRO A 45 -8.033 -1.732 -1.664 1.00 65.33 C ATOM 653 CD PRO A 45 -7.123 -0.531 -1.428 1.00 13.21 C ATOM 0 HA PRO A 45 -8.157 0.173 -4.389 1.00 23.44 H new ATOM 0 HB2 PRO A 45 -9.344 -2.090 -3.371 1.00 54.02 H new ATOM 0 HB3 PRO A 45 -7.640 -2.089 -3.780 1.00 54.02 H new ATOM 0 HG2 PRO A 45 -8.921 -1.695 -1.033 1.00 65.33 H new ATOM 0 HG3 PRO A 45 -7.525 -2.671 -1.445 1.00 65.33 H new ATOM 0 HD2 PRO A 45 -7.232 -0.154 -0.411 1.00 13.21 H new ATOM 0 HD3 PRO A 45 -6.076 -0.805 -1.556 1.00 13.21 H new ATOM 658 N SER A 46 -10.214 0.986 -2.045 1.00 24.43 N ATOM 659 CA SER A 46 -11.455 1.682 -1.744 1.00 34.55 C ATOM 660 C SER A 46 -11.071 2.841 -0.813 1.00 32.12 C ATOM 661 O SER A 46 -10.225 2.657 0.070 1.00 61.22 O ATOM 662 CB SER A 46 -12.444 0.708 -1.070 1.00 31.23 C ATOM 663 OG SER A 46 -12.806 -0.360 -1.938 1.00 23.25 O ATOM 0 H SER A 46 -9.594 0.942 -1.237 1.00 24.43 H new ATOM 0 HA SER A 46 -11.950 2.062 -2.638 1.00 34.55 H new ATOM 0 HB2 SER A 46 -11.995 0.303 -0.163 1.00 31.23 H new ATOM 0 HB3 SER A 46 -13.340 1.250 -0.768 1.00 31.23 H new ATOM 0 HG SER A 46 -13.432 -0.958 -1.478 1.00 23.25 H new ATOM 668 N ALA A 47 -11.638 4.035 -1.015 1.00 12.04 N ATOM 669 CA ALA A 47 -11.396 5.211 -0.178 1.00 31.51 C ATOM 670 C ALA A 47 -12.663 6.072 -0.139 1.00 50.01 C ATOM 671 O ALA A 47 -13.524 5.843 0.706 1.00 1.34 O ATOM 672 CB ALA A 47 -10.172 5.979 -0.709 1.00 65.23 C ATOM 0 H ALA A 47 -12.290 4.213 -1.779 1.00 12.04 H new ATOM 0 HA ALA A 47 -11.169 4.915 0.846 1.00 31.51 H new ATOM 0 HB1 ALA A 47 -9.993 6.854 -0.085 1.00 65.23 H new ATOM 0 HB2 ALA A 47 -9.296 5.330 -0.684 1.00 65.23 H new ATOM 0 HB3 ALA A 47 -10.359 6.297 -1.735 1.00 65.23 H new ATOM 678 N GLU A 48 -12.851 6.965 -1.114 1.00 42.04 N ATOM 679 CA GLU A 48 -14.023 7.821 -1.278 1.00 53.01 C ATOM 680 C GLU A 48 -14.575 7.675 -2.699 1.00 33.12 C ATOM 681 O GLU A 48 -15.032 8.638 -3.322 1.00 14.11 O ATOM 682 CB GLU A 48 -13.749 9.261 -0.813 1.00 2.42 C ATOM 683 CG GLU A 48 -12.693 10.020 -1.625 1.00 5.04 C ATOM 684 CD GLU A 48 -12.159 11.233 -0.855 1.00 0.31 C ATOM 685 OE1 GLU A 48 -11.441 11.002 0.150 1.00 64.11 O ATOM 686 OE2 GLU A 48 -12.458 12.405 -1.186 1.00 4.45 O ATOM 0 H GLU A 48 -12.155 7.116 -1.844 1.00 42.04 H new ATOM 0 HA GLU A 48 -14.824 7.492 -0.615 1.00 53.01 H new ATOM 0 HB2 GLU A 48 -14.683 9.821 -0.849 1.00 2.42 H new ATOM 0 HB3 GLU A 48 -13.433 9.235 0.230 1.00 2.42 H new ATOM 0 HG2 GLU A 48 -11.868 9.350 -1.868 1.00 5.04 H new ATOM 0 HG3 GLU A 48 -13.126 10.349 -2.570 1.00 5.04 H new ATOM 691 N VAL A 49 -14.531 6.443 -3.209 1.00 2.03 N ATOM 692 CA VAL A 49 -14.853 6.095 -4.583 1.00 63.41 C ATOM 693 C VAL A 49 -16.121 5.243 -4.676 1.00 25.53 C ATOM 694 O VAL A 49 -16.926 5.473 -5.569 1.00 2.22 O ATOM 695 CB VAL A 49 -13.616 5.437 -5.232 1.00 51.21 C ATOM 696 CG1 VAL A 49 -13.160 4.128 -4.568 1.00 24.44 C ATOM 697 CG2 VAL A 49 -13.833 5.197 -6.726 1.00 30.23 C ATOM 0 H VAL A 49 -14.259 5.634 -2.651 1.00 2.03 H new ATOM 0 HA VAL A 49 -15.089 6.998 -5.147 1.00 63.41 H new ATOM 0 HB VAL A 49 -12.815 6.159 -5.077 1.00 51.21 H new ATOM 0 HG11 VAL A 49 -12.286 3.740 -5.091 1.00 24.44 H new ATOM 0 HG12 VAL A 49 -12.904 4.319 -3.526 1.00 24.44 H new ATOM 0 HG13 VAL A 49 -13.966 3.396 -4.615 1.00 24.44 H new ATOM 0 HG21 VAL A 49 -12.944 4.733 -7.153 1.00 30.23 H new ATOM 0 HG22 VAL A 49 -14.690 4.538 -6.868 1.00 30.23 H new ATOM 0 HG23 VAL A 49 -14.020 6.148 -7.224 1.00 30.23 H new ATOM 707 N HIS A 50 -16.295 4.254 -3.791 1.00 23.25 N ATOM 708 CA HIS A 50 -17.332 3.214 -3.830 1.00 52.33 C ATOM 709 C HIS A 50 -17.431 2.432 -5.167 1.00 65.22 C ATOM 710 O HIS A 50 -18.421 1.741 -5.419 1.00 72.53 O ATOM 711 CB HIS A 50 -18.677 3.798 -3.377 1.00 14.22 C ATOM 712 CG HIS A 50 -19.520 2.781 -2.652 1.00 41.02 C ATOM 713 ND1 HIS A 50 -20.509 2.011 -3.209 1.00 32.55 N ATOM 714 CD2 HIS A 50 -19.377 2.393 -1.349 1.00 61.32 C ATOM 715 CE1 HIS A 50 -20.987 1.201 -2.250 1.00 54.13 C ATOM 716 NE2 HIS A 50 -20.350 1.412 -1.084 1.00 62.12 N ATOM 0 H HIS A 50 -15.682 4.152 -2.983 1.00 23.25 H new ATOM 0 HA HIS A 50 -17.024 2.446 -3.121 1.00 52.33 H new ATOM 0 HB2 HIS A 50 -18.499 4.653 -2.724 1.00 14.22 H new ATOM 0 HB3 HIS A 50 -19.222 4.168 -4.245 1.00 14.22 H new ATOM 0 HD2 HIS A 50 -18.648 2.772 -0.648 1.00 61.32 H new ATOM 0 HE1 HIS A 50 -21.776 0.478 -2.395 1.00 54.13 H new ATOM 0 HE2 HIS A 50 -20.535 0.955 -0.191 1.00 62.12 H new ATOM 723 N GLY A 51 -16.415 2.511 -6.034 1.00 23.13 N ATOM 724 CA GLY A 51 -16.434 1.954 -7.384 1.00 65.41 C ATOM 725 C GLY A 51 -17.182 2.864 -8.351 1.00 53.40 C ATOM 726 O GLY A 51 -17.751 3.884 -7.963 1.00 73.32 O ATOM 0 H GLY A 51 -15.536 2.977 -5.807 1.00 23.13 H new ATOM 0 HA2 GLY A 51 -15.412 1.810 -7.734 1.00 65.41 H new ATOM 0 HA3 GLY A 51 -16.906 0.972 -7.367 1.00 65.41 H new ATOM 730 N HIS A 52 -17.190 2.488 -9.633 1.00 2.45 N ATOM 731 CA HIS A 52 -17.890 3.219 -10.695 1.00 74.53 C ATOM 732 C HIS A 52 -17.473 4.698 -10.744 1.00 22.45 C ATOM 733 O HIS A 52 -18.280 5.578 -11.046 1.00 41.33 O ATOM 734 CB HIS A 52 -19.406 3.008 -10.549 1.00 61.54 C ATOM 735 CG HIS A 52 -19.797 1.565 -10.313 1.00 42.30 C ATOM 736 ND1 HIS A 52 -20.721 1.117 -9.401 1.00 3.25 N ATOM 737 CD2 HIS A 52 -19.210 0.462 -10.874 1.00 14.34 C ATOM 738 CE1 HIS A 52 -20.699 -0.224 -9.419 1.00 72.41 C ATOM 739 NE2 HIS A 52 -19.808 -0.675 -10.323 1.00 64.53 N ATOM 0 H HIS A 52 -16.704 1.656 -9.968 1.00 2.45 H new ATOM 0 HA HIS A 52 -17.597 2.817 -11.665 1.00 74.53 H new ATOM 0 HB2 HIS A 52 -19.771 3.615 -9.720 1.00 61.54 H new ATOM 0 HB3 HIS A 52 -19.903 3.368 -11.450 1.00 61.54 H new ATOM 0 HD2 HIS A 52 -18.423 0.469 -11.613 1.00 14.34 H new ATOM 0 HE1 HIS A 52 -21.312 -0.856 -8.794 1.00 72.41 H new ATOM 0 HE2 HIS A 52 -19.610 -1.648 -10.558 1.00 64.53 H new ATOM 746 N GLY A 53 -16.213 4.953 -10.400 1.00 54.01 N ATOM 747 CA GLY A 53 -15.629 6.251 -10.152 1.00 65.20 C ATOM 748 C GLY A 53 -14.124 6.067 -9.949 1.00 12.43 C ATOM 749 O GLY A 53 -13.618 4.935 -9.901 1.00 21.52 O ATOM 0 H GLY A 53 -15.534 4.201 -10.281 1.00 54.01 H new ATOM 0 HA2 GLY A 53 -15.820 6.920 -10.991 1.00 65.20 H new ATOM 0 HA3 GLY A 53 -16.078 6.708 -9.270 1.00 65.20 H new ATOM 753 N ASN A 54 -13.407 7.178 -9.839 1.00 51.04 N ATOM 754 CA ASN A 54 -11.953 7.257 -9.714 1.00 24.14 C ATOM 755 C ASN A 54 -11.523 7.418 -8.252 1.00 32.34 C ATOM 756 O ASN A 54 -12.293 7.945 -7.447 1.00 41.11 O ATOM 757 CB ASN A 54 -11.426 8.442 -10.541 1.00 60.54 C ATOM 758 CG ASN A 54 -12.088 9.771 -10.214 1.00 55.43 C ATOM 759 OD1 ASN A 54 -13.007 10.202 -10.910 1.00 41.02 O ATOM 760 ND2 ASN A 54 -11.643 10.436 -9.169 1.00 32.42 N ATOM 0 H ASN A 54 -13.846 8.099 -9.834 1.00 51.04 H new ATOM 0 HA ASN A 54 -11.531 6.325 -10.090 1.00 24.14 H new ATOM 0 HB2 ASN A 54 -10.352 8.534 -10.380 1.00 60.54 H new ATOM 0 HB3 ASN A 54 -11.572 8.226 -11.599 1.00 60.54 H new ATOM 0 HD21 ASN A 54 -12.061 11.332 -8.919 1.00 32.42 H new ATOM 0 HD22 ASN A 54 -10.880 10.055 -8.609 1.00 32.42 H new ATOM 766 N PRO A 55 -10.286 7.020 -7.902 1.00 75.51 N ATOM 767 CA PRO A 55 -9.699 7.259 -6.589 1.00 15.13 C ATOM 768 C PRO A 55 -9.331 8.743 -6.414 1.00 15.43 C ATOM 769 O PRO A 55 -9.535 9.569 -7.314 1.00 1.22 O ATOM 770 CB PRO A 55 -8.477 6.337 -6.531 1.00 34.22 C ATOM 771 CG PRO A 55 -8.012 6.300 -7.982 1.00 4.21 C ATOM 772 CD PRO A 55 -9.322 6.348 -8.763 1.00 31.44 C ATOM 0 HA PRO A 55 -10.389 7.043 -5.774 1.00 15.13 H new ATOM 0 HB2 PRO A 55 -7.705 6.730 -5.869 1.00 34.22 H new ATOM 0 HB3 PRO A 55 -8.737 5.344 -6.164 1.00 34.22 H new ATOM 0 HG2 PRO A 55 -7.368 7.146 -8.221 1.00 4.21 H new ATOM 0 HG3 PRO A 55 -7.444 5.396 -8.201 1.00 4.21 H new ATOM 0 HD2 PRO A 55 -9.196 6.888 -9.701 1.00 31.44 H new ATOM 0 HD3 PRO A 55 -9.661 5.343 -9.016 1.00 31.44 H new ATOM 777 N VAL A 56 -8.739 9.081 -5.269 1.00 51.34 N ATOM 778 CA VAL A 56 -8.505 10.442 -4.796 1.00 22.53 C ATOM 779 C VAL A 56 -7.000 10.708 -4.653 1.00 63.52 C ATOM 780 O VAL A 56 -6.238 9.799 -4.314 1.00 24.21 O ATOM 781 CB VAL A 56 -9.344 10.695 -3.530 1.00 1.11 C ATOM 782 CG1 VAL A 56 -9.070 9.617 -2.490 1.00 24.13 C ATOM 783 CG2 VAL A 56 -9.127 12.078 -2.918 1.00 40.44 C ATOM 0 H VAL A 56 -8.393 8.378 -4.616 1.00 51.34 H new ATOM 0 HA VAL A 56 -8.845 11.176 -5.526 1.00 22.53 H new ATOM 0 HB VAL A 56 -10.387 10.655 -3.844 1.00 1.11 H new ATOM 0 HG11 VAL A 56 -9.670 9.809 -1.600 1.00 24.13 H new ATOM 0 HG12 VAL A 56 -9.331 8.641 -2.900 1.00 24.13 H new ATOM 0 HG13 VAL A 56 -8.013 9.628 -2.224 1.00 24.13 H new ATOM 0 HG21 VAL A 56 -9.750 12.185 -2.030 1.00 40.44 H new ATOM 0 HG22 VAL A 56 -8.079 12.193 -2.642 1.00 40.44 H new ATOM 0 HG23 VAL A 56 -9.397 12.844 -3.645 1.00 40.44 H new ATOM 793 N LEU A 57 -6.571 11.951 -4.894 1.00 31.21 N ATOM 794 CA LEU A 57 -5.223 12.417 -4.584 1.00 3.14 C ATOM 795 C LEU A 57 -5.111 12.549 -3.066 1.00 51.01 C ATOM 796 O LEU A 57 -5.850 13.315 -2.444 1.00 52.31 O ATOM 797 CB LEU A 57 -4.943 13.770 -5.264 1.00 42.41 C ATOM 798 CG LEU A 57 -3.527 14.322 -4.973 1.00 23.21 C ATOM 799 CD1 LEU A 57 -2.467 13.683 -5.877 1.00 62.43 C ATOM 800 CD2 LEU A 57 -3.466 15.842 -5.140 1.00 74.31 C ATOM 0 H LEU A 57 -7.161 12.668 -5.316 1.00 31.21 H new ATOM 0 HA LEU A 57 -4.487 11.706 -4.958 1.00 3.14 H new ATOM 0 HB2 LEU A 57 -5.068 13.660 -6.341 1.00 42.41 H new ATOM 0 HB3 LEU A 57 -5.684 14.496 -4.930 1.00 42.41 H new ATOM 0 HG LEU A 57 -3.312 14.065 -3.936 1.00 23.21 H new ATOM 0 HD11 LEU A 57 -1.488 14.099 -5.640 1.00 62.43 H new ATOM 0 HD12 LEU A 57 -2.453 12.605 -5.715 1.00 62.43 H new ATOM 0 HD13 LEU A 57 -2.706 13.890 -6.920 1.00 62.43 H new ATOM 0 HD21 LEU A 57 -2.456 16.191 -4.927 1.00 74.31 H new ATOM 0 HD22 LEU A 57 -3.733 16.107 -6.163 1.00 74.31 H new ATOM 0 HD23 LEU A 57 -4.166 16.312 -4.449 1.00 74.31 H new ATOM 811 N VAL A 58 -4.161 11.843 -2.463 1.00 41.31 N ATOM 812 CA VAL A 58 -3.850 11.938 -1.038 1.00 31.44 C ATOM 813 C VAL A 58 -2.391 12.406 -0.927 1.00 64.54 C ATOM 814 O VAL A 58 -1.678 12.486 -1.933 1.00 40.00 O ATOM 815 CB VAL A 58 -4.185 10.595 -0.345 1.00 2.14 C ATOM 816 CG1 VAL A 58 -4.123 10.657 1.192 1.00 73.12 C ATOM 817 CG2 VAL A 58 -5.591 10.106 -0.721 1.00 11.35 C ATOM 0 H VAL A 58 -3.572 11.174 -2.960 1.00 41.31 H new ATOM 0 HA VAL A 58 -4.457 12.671 -0.507 1.00 31.44 H new ATOM 0 HB VAL A 58 -3.417 9.908 -0.701 1.00 2.14 H new ATOM 0 HG11 VAL A 58 -4.370 9.679 1.606 1.00 73.12 H new ATOM 0 HG12 VAL A 58 -3.118 10.940 1.504 1.00 73.12 H new ATOM 0 HG13 VAL A 58 -4.838 11.395 1.555 1.00 73.12 H new ATOM 0 HG21 VAL A 58 -5.794 9.161 -0.217 1.00 11.35 H new ATOM 0 HG22 VAL A 58 -6.328 10.847 -0.413 1.00 11.35 H new ATOM 0 HG23 VAL A 58 -5.650 9.962 -1.800 1.00 11.35 H new ATOM 827 N THR A 59 -1.950 12.785 0.266 1.00 51.31 N ATOM 828 CA THR A 59 -0.713 13.517 0.526 1.00 42.41 C ATOM 829 C THR A 59 0.257 12.641 1.342 1.00 71.44 C ATOM 830 O THR A 59 -0.021 11.455 1.545 1.00 62.41 O ATOM 831 CB THR A 59 -1.113 14.856 1.166 1.00 44.02 C ATOM 832 OG1 THR A 59 -1.874 14.693 2.350 1.00 72.24 O ATOM 833 CG2 THR A 59 -1.901 15.765 0.227 1.00 43.32 C ATOM 0 H THR A 59 -2.469 12.581 1.120 1.00 51.31 H new ATOM 0 HA THR A 59 -0.151 13.751 -0.378 1.00 42.41 H new ATOM 0 HB THR A 59 -0.158 15.326 1.402 1.00 44.02 H new ATOM 0 HG1 THR A 59 -2.482 15.454 2.455 1.00 72.24 H new ATOM 0 HG21 THR A 59 -2.151 16.692 0.743 1.00 43.32 H new ATOM 0 HG22 THR A 59 -1.298 15.990 -0.653 1.00 43.32 H new ATOM 0 HG23 THR A 59 -2.818 15.263 -0.081 1.00 43.32 H new ATOM 841 N HIS A 60 1.425 13.165 1.743 1.00 53.03 N ATOM 842 CA HIS A 60 2.389 12.439 2.577 1.00 75.15 C ATOM 843 C HIS A 60 1.757 11.990 3.896 1.00 61.52 C ATOM 844 O HIS A 60 0.713 12.502 4.311 1.00 54.05 O ATOM 845 CB HIS A 60 3.660 13.273 2.817 1.00 55.02 C ATOM 846 CG HIS A 60 4.523 13.355 1.587 1.00 60.51 C ATOM 847 ND1 HIS A 60 5.128 12.276 0.988 1.00 62.21 N ATOM 848 CD2 HIS A 60 4.878 14.478 0.888 1.00 23.52 C ATOM 849 CE1 HIS A 60 5.850 12.745 -0.045 1.00 73.12 C ATOM 850 NE2 HIS A 60 5.712 14.079 -0.164 1.00 55.24 N ATOM 0 H HIS A 60 1.727 14.108 1.496 1.00 53.03 H new ATOM 0 HA HIS A 60 2.684 11.541 2.034 1.00 75.15 H new ATOM 0 HB2 HIS A 60 3.380 14.279 3.130 1.00 55.02 H new ATOM 0 HB3 HIS A 60 4.233 12.833 3.633 1.00 55.02 H new ATOM 0 HD1 HIS A 60 5.045 11.300 1.274 1.00 62.21 H new ATOM 0 HD2 HIS A 60 4.570 15.489 1.108 1.00 23.52 H new ATOM 0 HE1 HIS A 60 6.460 12.133 -0.693 1.00 73.12 H new ATOM 857 N LYS A 61 2.402 11.044 4.578 1.00 60.25 N ATOM 858 CA LYS A 61 1.871 10.367 5.755 1.00 20.30 C ATOM 859 C LYS A 61 2.889 10.474 6.879 1.00 44.42 C ATOM 860 O LYS A 61 3.941 9.846 6.797 1.00 33.23 O ATOM 861 CB LYS A 61 1.618 8.891 5.390 1.00 14.14 C ATOM 862 CG LYS A 61 0.473 8.623 4.399 1.00 20.31 C ATOM 863 CD LYS A 61 -0.865 9.297 4.731 1.00 31.50 C ATOM 864 CE LYS A 61 -1.276 9.310 6.212 1.00 43.14 C ATOM 865 NZ LYS A 61 -1.181 8.028 6.927 1.00 2.34 N ATOM 0 H LYS A 61 3.334 10.720 4.318 1.00 60.25 H new ATOM 0 HA LYS A 61 0.936 10.822 6.083 1.00 20.30 H new ATOM 0 HB2 LYS A 61 2.536 8.479 4.972 1.00 14.14 H new ATOM 0 HB3 LYS A 61 1.412 8.341 6.308 1.00 14.14 H new ATOM 0 HG2 LYS A 61 0.789 8.952 3.409 1.00 20.31 H new ATOM 0 HG3 LYS A 61 0.312 7.547 4.340 1.00 20.31 H new ATOM 0 HD2 LYS A 61 -0.825 10.328 4.379 1.00 31.50 H new ATOM 0 HD3 LYS A 61 -1.650 8.797 4.163 1.00 31.50 H new ATOM 0 HE2 LYS A 61 -0.655 10.039 6.733 1.00 43.14 H new ATOM 0 HE3 LYS A 61 -2.305 9.663 6.278 1.00 43.14 H new ATOM 0 HZ1 LYS A 61 -1.922 7.981 7.655 1.00 2.34 H new ATOM 0 HZ2 LYS A 61 -1.306 7.245 6.254 1.00 2.34 H new ATOM 0 HZ3 LYS A 61 -0.247 7.951 7.379 1.00 2.34 H new ATOM 875 N LYS A 62 2.515 11.205 7.934 1.00 33.44 N ATOM 876 CA LYS A 62 3.349 11.564 9.078 1.00 62.34 C ATOM 877 C LYS A 62 4.179 10.385 9.589 1.00 12.21 C ATOM 878 O LYS A 62 5.398 10.406 9.485 1.00 13.51 O ATOM 879 CB LYS A 62 2.520 12.268 10.174 1.00 11.52 C ATOM 880 CG LYS A 62 1.157 11.620 10.496 1.00 35.12 C ATOM 881 CD LYS A 62 -0.083 12.355 9.946 1.00 1.40 C ATOM 882 CE LYS A 62 -1.055 11.377 9.268 1.00 14.01 C ATOM 883 NZ LYS A 62 -2.440 11.898 9.164 1.00 33.51 N ATOM 0 H LYS A 62 1.570 11.581 8.014 1.00 33.44 H new ATOM 0 HA LYS A 62 4.085 12.293 8.739 1.00 62.34 H new ATOM 0 HB2 LYS A 62 3.112 12.300 11.088 1.00 11.52 H new ATOM 0 HB3 LYS A 62 2.349 13.300 9.869 1.00 11.52 H new ATOM 0 HG2 LYS A 62 1.157 10.603 10.103 1.00 35.12 H new ATOM 0 HG3 LYS A 62 1.060 11.543 11.579 1.00 35.12 H new ATOM 0 HD2 LYS A 62 -0.592 12.873 10.759 1.00 1.40 H new ATOM 0 HD3 LYS A 62 0.230 13.115 9.230 1.00 1.40 H new ATOM 0 HE2 LYS A 62 -0.686 11.145 8.269 1.00 14.01 H new ATOM 0 HE3 LYS A 62 -1.068 10.442 9.829 1.00 14.01 H new ATOM 0 HZ1 LYS A 62 -3.097 11.108 9.006 1.00 33.51 H new ATOM 0 HZ2 LYS A 62 -2.694 12.388 10.045 1.00 33.51 H new ATOM 0 HZ3 LYS A 62 -2.502 12.564 8.367 1.00 33.51 H new ATOM 893 N ASN A 63 3.531 9.368 10.158 1.00 33.01 N ATOM 894 CA ASN A 63 4.154 8.156 10.671 1.00 4.43 C ATOM 895 C ASN A 63 3.078 7.073 10.598 1.00 41.24 C ATOM 896 O ASN A 63 2.264 6.961 11.510 1.00 34.21 O ATOM 897 CB ASN A 63 4.665 8.365 12.114 1.00 14.52 C ATOM 898 CG ASN A 63 6.031 9.049 12.151 1.00 2.21 C ATOM 899 OD1 ASN A 63 7.044 8.419 11.847 1.00 43.11 O ATOM 900 ND2 ASN A 63 6.109 10.326 12.496 1.00 14.51 N ATOM 0 H ASN A 63 2.518 9.370 10.277 1.00 33.01 H new ATOM 0 HA ASN A 63 5.030 7.873 10.087 1.00 4.43 H new ATOM 0 HB2 ASN A 63 3.945 8.966 12.669 1.00 14.52 H new ATOM 0 HB3 ASN A 63 4.730 7.400 12.618 1.00 14.52 H new ATOM 0 HD21 ASN A 63 7.014 10.796 12.511 1.00 14.51 H new ATOM 0 HD22 ASN A 63 5.264 10.839 12.746 1.00 14.51 H new ATOM 906 N VAL A 64 2.963 6.370 9.465 1.00 64.01 N ATOM 907 CA VAL A 64 2.022 5.254 9.301 1.00 74.42 C ATOM 908 C VAL A 64 2.781 3.934 9.375 1.00 53.34 C ATOM 909 O VAL A 64 3.735 3.735 8.635 1.00 43.22 O ATOM 910 CB VAL A 64 1.201 5.397 8.005 1.00 63.45 C ATOM 911 CG1 VAL A 64 1.979 5.490 6.688 1.00 53.43 C ATOM 912 CG2 VAL A 64 0.075 4.375 7.947 1.00 4.20 C ATOM 0 H VAL A 64 3.522 6.559 8.633 1.00 64.01 H new ATOM 0 HA VAL A 64 1.298 5.270 10.115 1.00 74.42 H new ATOM 0 HB VAL A 64 0.774 6.397 8.085 1.00 63.45 H new ATOM 0 HG11 VAL A 64 1.279 5.587 5.858 1.00 53.43 H new ATOM 0 HG12 VAL A 64 2.635 6.360 6.713 1.00 53.43 H new ATOM 0 HG13 VAL A 64 2.577 4.589 6.554 1.00 53.43 H new ATOM 0 HG21 VAL A 64 -0.485 4.503 7.021 1.00 4.20 H new ATOM 0 HG22 VAL A 64 0.494 3.369 7.982 1.00 4.20 H new ATOM 0 HG23 VAL A 64 -0.592 4.520 8.797 1.00 4.20 H new ATOM 922 N ASN A 65 2.378 3.016 10.257 1.00 73.04 N ATOM 923 CA ASN A 65 3.207 1.853 10.603 1.00 42.54 C ATOM 924 C ASN A 65 2.372 0.581 10.850 1.00 10.13 C ATOM 925 O ASN A 65 2.819 -0.324 11.549 1.00 3.54 O ATOM 926 CB ASN A 65 4.056 2.205 11.833 1.00 2.11 C ATOM 927 CG ASN A 65 5.115 3.280 11.600 1.00 72.34 C ATOM 928 OD1 ASN A 65 6.362 2.895 11.381 1.00 44.54 O flip ATOM 929 ND2 ASN A 65 4.844 4.476 11.630 1.00 33.20 N flip ATOM 0 H ASN A 65 1.483 3.053 10.746 1.00 73.04 H new ATOM 0 HA ASN A 65 3.853 1.625 9.755 1.00 42.54 H new ATOM 0 HB2 ASN A 65 3.392 2.537 12.631 1.00 2.11 H new ATOM 0 HB3 ASN A 65 4.550 1.300 12.186 1.00 2.11 H new ATOM 0 HD21 ASN A 65 3.884 4.777 11.798 1.00 33.20 H new ATOM 0 HD22 ASN A 65 5.578 5.169 11.486 1.00 33.20 H new ATOM 935 N ILE A 66 1.175 0.505 10.258 1.00 31.44 N ATOM 936 CA ILE A 66 0.066 -0.441 10.490 1.00 51.23 C ATOM 937 C ILE A 66 -0.395 -0.470 11.957 1.00 72.05 C ATOM 938 O ILE A 66 0.408 -0.358 12.884 1.00 54.43 O ATOM 939 CB ILE A 66 0.451 -1.848 9.965 1.00 51.15 C ATOM 940 CG1 ILE A 66 0.517 -1.917 8.428 1.00 24.23 C ATOM 941 CG2 ILE A 66 -0.420 -3.007 10.473 1.00 32.33 C ATOM 942 CD1 ILE A 66 -0.802 -1.970 7.651 1.00 45.42 C ATOM 0 H ILE A 66 0.929 1.173 9.527 1.00 31.44 H new ATOM 0 HA ILE A 66 -0.797 -0.089 9.925 1.00 51.23 H new ATOM 0 HB ILE A 66 1.446 -1.987 10.388 1.00 51.15 H new ATOM 0 HG12 ILE A 66 1.075 -1.048 8.079 1.00 24.23 H new ATOM 0 HG13 ILE A 66 1.098 -2.799 8.158 1.00 24.23 H new ATOM 0 HG21 ILE A 66 -0.064 -3.944 10.045 1.00 32.33 H new ATOM 0 HG22 ILE A 66 -0.359 -3.059 11.560 1.00 32.33 H new ATOM 0 HG23 ILE A 66 -1.455 -2.842 10.175 1.00 32.33 H new ATOM 0 HD11 ILE A 66 -0.593 -2.016 6.582 1.00 45.42 H new ATOM 0 HD12 ILE A 66 -1.365 -2.855 7.949 1.00 45.42 H new ATOM 0 HD13 ILE A 66 -1.388 -1.077 7.868 1.00 45.42 H new ATOM 953 N ASN A 67 -1.702 -0.661 12.173 1.00 65.33 N ATOM 954 CA ASN A 67 -2.259 -0.887 13.501 1.00 50.12 C ATOM 955 C ASN A 67 -2.349 -2.392 13.757 1.00 22.43 C ATOM 956 O ASN A 67 -1.957 -2.846 14.822 1.00 43.32 O ATOM 957 CB ASN A 67 -3.642 -0.218 13.573 1.00 21.13 C ATOM 958 CG ASN A 67 -3.817 0.823 14.666 1.00 45.51 C ATOM 959 OD1 ASN A 67 -2.835 1.677 14.908 1.00 70.32 O flip ATOM 960 ND2 ASN A 67 -4.911 0.956 15.196 1.00 12.33 N flip ATOM 0 H ASN A 67 -2.399 -0.662 11.428 1.00 65.33 H new ATOM 0 HA ASN A 67 -1.622 -0.451 14.271 1.00 50.12 H new ATOM 0 HB2 ASN A 67 -3.847 0.254 12.612 1.00 21.13 H new ATOM 0 HB3 ASN A 67 -4.394 -0.995 13.714 1.00 21.13 H new ATOM 0 HD21 ASN A 67 -5.657 0.289 14.999 1.00 12.33 H new ATOM 0 HD22 ASN A 67 -5.077 1.734 15.835 1.00 12.33 H new ATOM 966 N ALA A 68 -2.821 -3.176 12.782 1.00 73.02 N ATOM 967 CA ALA A 68 -3.043 -4.612 12.856 1.00 13.10 C ATOM 968 C ALA A 68 -3.249 -5.154 11.435 1.00 61.45 C ATOM 969 O ALA A 68 -3.388 -4.393 10.471 1.00 11.22 O ATOM 970 CB ALA A 68 -4.284 -4.898 13.718 1.00 11.43 C ATOM 0 H ALA A 68 -3.071 -2.796 11.869 1.00 73.02 H new ATOM 0 HA ALA A 68 -2.182 -5.101 13.311 1.00 13.10 H new ATOM 0 HB1 ALA A 68 -4.449 -5.974 13.772 1.00 11.43 H new ATOM 0 HB2 ALA A 68 -4.128 -4.503 14.722 1.00 11.43 H new ATOM 0 HB3 ALA A 68 -5.155 -4.419 13.271 1.00 11.43 H new ATOM 976 N ILE A 69 -3.313 -6.477 11.314 1.00 71.31 N ATOM 977 CA ILE A 69 -3.645 -7.216 10.100 1.00 50.23 C ATOM 978 C ILE A 69 -4.730 -8.216 10.498 1.00 22.41 C ATOM 979 O ILE A 69 -4.646 -8.828 11.569 1.00 31.01 O ATOM 980 CB ILE A 69 -2.388 -7.934 9.547 1.00 65.01 C ATOM 981 CG1 ILE A 69 -1.242 -6.952 9.210 1.00 30.41 C ATOM 982 CG2 ILE A 69 -2.719 -8.785 8.304 1.00 41.42 C ATOM 983 CD1 ILE A 69 0.113 -7.659 9.081 1.00 51.52 C ATOM 0 H ILE A 69 -3.124 -7.095 12.103 1.00 71.31 H new ATOM 0 HA ILE A 69 -3.999 -6.557 9.307 1.00 50.23 H new ATOM 0 HB ILE A 69 -2.046 -8.590 10.348 1.00 65.01 H new ATOM 0 HG12 ILE A 69 -1.471 -6.437 8.277 1.00 30.41 H new ATOM 0 HG13 ILE A 69 -1.179 -6.190 9.987 1.00 30.41 H new ATOM 0 HG21 ILE A 69 -1.813 -9.273 7.945 1.00 41.42 H new ATOM 0 HG22 ILE A 69 -3.458 -9.541 8.567 1.00 41.42 H new ATOM 0 HG23 ILE A 69 -3.120 -8.143 7.520 1.00 41.42 H new ATOM 0 HD11 ILE A 69 0.884 -6.926 8.844 1.00 51.52 H new ATOM 0 HD12 ILE A 69 0.357 -8.152 10.022 1.00 51.52 H new ATOM 0 HD13 ILE A 69 0.061 -8.402 8.285 1.00 51.52 H new ATOM 994 N THR A 70 -5.734 -8.430 9.654 1.00 31.31 N ATOM 995 CA THR A 70 -6.741 -9.474 9.860 1.00 65.13 C ATOM 996 C THR A 70 -7.217 -9.997 8.498 1.00 42.21 C ATOM 997 O THR A 70 -7.468 -9.198 7.600 1.00 32.52 O ATOM 998 CB THR A 70 -7.854 -8.862 10.728 1.00 10.25 C ATOM 999 OG1 THR A 70 -7.360 -8.764 12.052 1.00 1.55 O ATOM 1000 CG2 THR A 70 -9.174 -9.626 10.783 1.00 64.22 C ATOM 0 H THR A 70 -5.876 -7.884 8.804 1.00 31.31 H new ATOM 0 HA THR A 70 -6.349 -10.345 10.385 1.00 65.13 H new ATOM 0 HB THR A 70 -8.093 -7.907 10.260 1.00 10.25 H new ATOM 0 HG1 THR A 70 -6.388 -8.888 12.049 1.00 1.55 H new ATOM 0 HG21 THR A 70 -9.876 -9.094 11.426 1.00 64.22 H new ATOM 0 HG22 THR A 70 -9.590 -9.706 9.779 1.00 64.22 H new ATOM 0 HG23 THR A 70 -9.000 -10.625 11.184 1.00 64.22 H new ATOM 1008 N PRO A 71 -7.322 -11.322 8.311 1.00 4.41 N ATOM 1009 CA PRO A 71 -7.808 -11.946 7.084 1.00 25.22 C ATOM 1010 C PRO A 71 -9.298 -11.665 6.916 1.00 23.31 C ATOM 1011 O PRO A 71 -10.035 -11.503 7.895 1.00 21.54 O ATOM 1012 CB PRO A 71 -7.585 -13.450 7.307 1.00 30.11 C ATOM 1013 CG PRO A 71 -7.753 -13.589 8.820 1.00 70.23 C ATOM 1014 CD PRO A 71 -7.079 -12.332 9.322 1.00 70.43 C ATOM 0 HA PRO A 71 -7.301 -11.573 6.194 1.00 25.22 H new ATOM 0 HB2 PRO A 71 -8.311 -14.053 6.761 1.00 30.11 H new ATOM 0 HB3 PRO A 71 -6.595 -13.767 6.978 1.00 30.11 H new ATOM 0 HG2 PRO A 71 -8.802 -13.635 9.112 1.00 70.23 H new ATOM 0 HG3 PRO A 71 -7.275 -14.490 9.203 1.00 70.23 H new ATOM 0 HD2 PRO A 71 -7.488 -12.027 10.285 1.00 70.43 H new ATOM 0 HD3 PRO A 71 -6.010 -12.492 9.466 1.00 70.43 H new ATOM 1019 N VAL A 72 -9.740 -11.672 5.663 1.00 10.45 N ATOM 1020 CA VAL A 72 -11.136 -11.617 5.282 1.00 30.52 C ATOM 1021 C VAL A 72 -11.267 -12.473 4.032 1.00 41.31 C ATOM 1022 O VAL A 72 -10.506 -12.297 3.081 1.00 43.44 O ATOM 1023 CB VAL A 72 -11.581 -10.164 5.047 1.00 34.12 C ATOM 1024 CG1 VAL A 72 -13.034 -10.089 4.566 1.00 53.31 C ATOM 1025 CG2 VAL A 72 -11.472 -9.327 6.331 1.00 1.02 C ATOM 0 H VAL A 72 -9.110 -11.718 4.862 1.00 10.45 H new ATOM 0 HA VAL A 72 -11.787 -11.998 6.069 1.00 30.52 H new ATOM 0 HB VAL A 72 -10.914 -9.766 4.282 1.00 34.12 H new ATOM 0 HG11 VAL A 72 -13.313 -9.047 4.411 1.00 53.31 H new ATOM 0 HG12 VAL A 72 -13.135 -10.635 3.628 1.00 53.31 H new ATOM 0 HG13 VAL A 72 -13.689 -10.532 5.316 1.00 53.31 H new ATOM 0 HG21 VAL A 72 -11.794 -8.306 6.128 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -12.107 -9.761 7.103 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -10.437 -9.319 6.674 1.00 1.02 H new ATOM 1035 N GLY A 73 -12.246 -13.379 4.019 1.00 41.21 N ATOM 1036 CA GLY A 73 -12.620 -14.120 2.826 1.00 72.50 C ATOM 1037 C GLY A 73 -11.592 -15.153 2.377 1.00 24.41 C ATOM 1038 O GLY A 73 -11.796 -15.770 1.334 1.00 14.22 O ATOM 0 H GLY A 73 -12.800 -13.616 4.842 1.00 41.21 H new ATOM 0 HA2 GLY A 73 -13.568 -14.625 3.009 1.00 72.50 H new ATOM 0 HA3 GLY A 73 -12.787 -13.414 2.012 1.00 72.50 H new ATOM 1042 N ASN A 74 -10.539 -15.399 3.165 1.00 22.11 N ATOM 1043 CA ASN A 74 -9.507 -16.405 2.920 1.00 30.13 C ATOM 1044 C ASN A 74 -8.652 -16.070 1.689 1.00 22.11 C ATOM 1045 O ASN A 74 -7.956 -16.940 1.166 1.00 53.31 O ATOM 1046 CB ASN A 74 -10.137 -17.809 2.853 1.00 10.04 C ATOM 1047 CG ASN A 74 -9.208 -18.883 3.384 1.00 50.22 C ATOM 1048 OD1 ASN A 74 -8.651 -19.669 2.629 1.00 32.23 O ATOM 1049 ND2 ASN A 74 -9.095 -19.007 4.698 1.00 51.12 N ATOM 0 H ASN A 74 -10.379 -14.878 4.027 1.00 22.11 H new ATOM 0 HA ASN A 74 -8.814 -16.399 3.761 1.00 30.13 H new ATOM 0 HB2 ASN A 74 -11.063 -17.817 3.427 1.00 10.04 H new ATOM 0 HB3 ASN A 74 -10.400 -18.038 1.820 1.00 10.04 H new ATOM 0 HD21 ASN A 74 -8.538 -19.765 5.093 1.00 51.12 H new ATOM 0 HD22 ASN A 74 -9.565 -18.344 5.315 1.00 51.12 H new ATOM 1055 N TYR A 75 -8.703 -14.824 1.202 1.00 5.02 N ATOM 1056 CA TYR A 75 -8.139 -14.368 -0.074 1.00 34.11 C ATOM 1057 C TYR A 75 -7.558 -12.939 -0.018 1.00 61.23 C ATOM 1058 O TYR A 75 -7.266 -12.348 -1.065 1.00 65.12 O ATOM 1059 CB TYR A 75 -9.225 -14.501 -1.165 1.00 63.32 C ATOM 1060 CG TYR A 75 -10.513 -13.684 -1.025 1.00 41.02 C ATOM 1061 CD1 TYR A 75 -10.686 -12.704 -0.030 1.00 24.12 C ATOM 1062 CD2 TYR A 75 -11.577 -13.936 -1.910 1.00 52.31 C ATOM 1063 CE1 TYR A 75 -11.882 -11.989 0.091 1.00 53.00 C ATOM 1064 CE2 TYR A 75 -12.800 -13.247 -1.783 1.00 32.45 C ATOM 1065 CZ TYR A 75 -12.959 -12.273 -0.770 1.00 31.21 C ATOM 1066 OH TYR A 75 -14.146 -11.633 -0.582 1.00 61.22 O ATOM 0 H TYR A 75 -9.161 -14.069 1.713 1.00 5.02 H new ATOM 0 HA TYR A 75 -7.286 -15.003 -0.314 1.00 34.11 H new ATOM 0 HB2 TYR A 75 -8.769 -14.238 -2.119 1.00 63.32 H new ATOM 0 HB3 TYR A 75 -9.506 -15.553 -1.225 1.00 63.32 H new ATOM 0 HD1 TYR A 75 -9.877 -12.499 0.656 1.00 24.12 H new ATOM 0 HD2 TYR A 75 -11.455 -14.666 -2.696 1.00 52.31 H new ATOM 0 HE1 TYR A 75 -11.979 -11.220 0.844 1.00 53.00 H new ATOM 0 HE2 TYR A 75 -13.615 -13.463 -2.458 1.00 32.45 H new ATOM 0 HH TYR A 75 -14.791 -11.934 -1.256 1.00 61.22 H new ATOM 1075 N ALA A 76 -7.495 -12.332 1.174 1.00 2.43 N ATOM 1076 CA ALA A 76 -7.211 -10.914 1.375 1.00 70.52 C ATOM 1077 C ALA A 76 -6.957 -10.628 2.850 1.00 52.41 C ATOM 1078 O ALA A 76 -7.154 -11.496 3.701 1.00 74.40 O ATOM 1079 CB ALA A 76 -8.414 -10.075 0.916 1.00 61.53 C ATOM 0 H ALA A 76 -7.646 -12.834 2.049 1.00 2.43 H new ATOM 0 HA ALA A 76 -6.326 -10.655 0.794 1.00 70.52 H new ATOM 0 HB1 ALA A 76 -8.199 -9.017 1.067 1.00 61.53 H new ATOM 0 HB2 ALA A 76 -8.604 -10.259 -0.141 1.00 61.53 H new ATOM 0 HB3 ALA A 76 -9.294 -10.353 1.496 1.00 61.53 H new ATOM 1085 N VAL A 77 -6.569 -9.394 3.157 1.00 12.34 N ATOM 1086 CA VAL A 77 -6.344 -8.910 4.507 1.00 2.24 C ATOM 1087 C VAL A 77 -6.870 -7.482 4.623 1.00 53.31 C ATOM 1088 O VAL A 77 -6.696 -6.654 3.729 1.00 14.14 O ATOM 1089 CB VAL A 77 -4.851 -9.006 4.898 1.00 12.42 C ATOM 1090 CG1 VAL A 77 -4.495 -10.412 5.401 1.00 30.41 C ATOM 1091 CG2 VAL A 77 -3.894 -8.640 3.751 1.00 73.53 C ATOM 0 H VAL A 77 -6.398 -8.683 2.446 1.00 12.34 H new ATOM 0 HA VAL A 77 -6.888 -9.541 5.209 1.00 2.24 H new ATOM 0 HB VAL A 77 -4.719 -8.274 5.695 1.00 12.42 H new ATOM 0 HG11 VAL A 77 -3.439 -10.446 5.668 1.00 30.41 H new ATOM 0 HG12 VAL A 77 -5.098 -10.649 6.277 1.00 30.41 H new ATOM 0 HG13 VAL A 77 -4.695 -11.141 4.616 1.00 30.41 H new ATOM 0 HG21 VAL A 77 -2.863 -8.729 4.095 1.00 73.53 H new ATOM 0 HG22 VAL A 77 -4.056 -9.316 2.912 1.00 73.53 H new ATOM 0 HG23 VAL A 77 -4.083 -7.615 3.432 1.00 73.53 H new ATOM 1101 N LYS A 78 -7.528 -7.190 5.737 1.00 22.11 N ATOM 1102 CA LYS A 78 -7.668 -5.858 6.289 1.00 62.24 C ATOM 1103 C LYS A 78 -6.267 -5.461 6.743 1.00 62.13 C ATOM 1104 O LYS A 78 -5.689 -6.145 7.590 1.00 61.30 O ATOM 1105 CB LYS A 78 -8.675 -5.908 7.456 1.00 12.42 C ATOM 1106 CG LYS A 78 -9.730 -4.792 7.379 1.00 51.42 C ATOM 1107 CD LYS A 78 -10.938 -5.107 8.275 1.00 41.01 C ATOM 1108 CE LYS A 78 -11.812 -6.224 7.685 1.00 71.30 C ATOM 1109 NZ LYS A 78 -13.081 -5.735 7.105 1.00 50.40 N ATOM 0 H LYS A 78 -7.994 -7.903 6.298 1.00 22.11 H new ATOM 0 HA LYS A 78 -8.051 -5.127 5.577 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -9.176 -6.876 7.457 1.00 12.42 H new ATOM 0 HB3 LYS A 78 -8.135 -5.827 8.400 1.00 12.42 H new ATOM 0 HG2 LYS A 78 -9.285 -3.845 7.684 1.00 51.42 H new ATOM 0 HG3 LYS A 78 -10.061 -4.671 6.347 1.00 51.42 H new ATOM 0 HD2 LYS A 78 -10.589 -5.403 9.264 1.00 41.01 H new ATOM 0 HD3 LYS A 78 -11.538 -4.207 8.405 1.00 41.01 H new ATOM 0 HE2 LYS A 78 -11.247 -6.748 6.914 1.00 71.30 H new ATOM 0 HE3 LYS A 78 -12.035 -6.951 8.466 1.00 71.30 H new ATOM 0 HZ1 LYS A 78 -13.622 -6.538 6.725 1.00 50.40 H new ATOM 0 HZ2 LYS A 78 -13.639 -5.260 7.842 1.00 50.40 H new ATOM 0 HZ3 LYS A 78 -12.876 -5.063 6.339 1.00 50.40 H new ATOM 1119 N LEU A 79 -5.716 -4.413 6.138 1.00 41.21 N ATOM 1120 CA LEU A 79 -4.509 -3.720 6.583 1.00 34.25 C ATOM 1121 C LEU A 79 -5.040 -2.414 7.125 1.00 62.20 C ATOM 1122 O LEU A 79 -5.560 -1.607 6.347 1.00 10.33 O ATOM 1123 CB LEU A 79 -3.537 -3.441 5.419 1.00 53.23 C ATOM 1124 CG LEU A 79 -2.470 -4.506 5.115 1.00 63.41 C ATOM 1125 CD1 LEU A 79 -3.011 -5.913 5.293 1.00 23.31 C ATOM 1126 CD2 LEU A 79 -1.915 -4.297 3.695 1.00 3.15 C ATOM 0 H LEU A 79 -6.113 -4.006 5.291 1.00 41.21 H new ATOM 0 HA LEU A 79 -3.945 -4.309 7.306 1.00 34.25 H new ATOM 0 HB2 LEU A 79 -4.128 -3.290 4.516 1.00 53.23 H new ATOM 0 HB3 LEU A 79 -3.025 -2.501 5.626 1.00 53.23 H new ATOM 0 HG LEU A 79 -1.657 -4.390 5.832 1.00 63.41 H new ATOM 0 HD11 LEU A 79 -2.226 -6.636 5.069 1.00 23.31 H new ATOM 0 HD12 LEU A 79 -3.344 -6.047 6.322 1.00 23.31 H new ATOM 0 HD13 LEU A 79 -3.851 -6.068 4.616 1.00 23.31 H new ATOM 0 HD21 LEU A 79 -1.159 -5.054 3.485 1.00 3.15 H new ATOM 0 HD22 LEU A 79 -2.726 -4.382 2.971 1.00 3.15 H new ATOM 0 HD23 LEU A 79 -1.466 -3.306 3.622 1.00 3.15 H new ATOM 1137 N VAL A 80 -4.974 -2.243 8.439 1.00 44.32 N ATOM 1138 CA VAL A 80 -5.373 -0.993 9.064 1.00 43.03 C ATOM 1139 C VAL A 80 -4.159 -0.110 9.208 1.00 44.01 C ATOM 1140 O VAL A 80 -3.147 -0.515 9.780 1.00 54.32 O ATOM 1141 CB VAL A 80 -6.154 -1.232 10.357 1.00 30.24 C ATOM 1142 CG1 VAL A 80 -5.613 -2.271 11.319 1.00 53.55 C ATOM 1143 CG2 VAL A 80 -6.488 0.071 11.104 1.00 1.01 C ATOM 0 H VAL A 80 -4.647 -2.956 9.091 1.00 44.32 H new ATOM 0 HA VAL A 80 -6.080 -0.458 8.429 1.00 43.03 H new ATOM 0 HB VAL A 80 -7.070 -1.679 9.970 1.00 30.24 H new ATOM 0 HG11 VAL A 80 -6.265 -2.335 12.190 1.00 53.55 H new ATOM 0 HG12 VAL A 80 -5.574 -3.241 10.823 1.00 53.55 H new ATOM 0 HG13 VAL A 80 -4.610 -1.985 11.637 1.00 53.55 H new ATOM 0 HG21 VAL A 80 -7.042 -0.163 12.013 1.00 1.01 H new ATOM 0 HG22 VAL A 80 -5.564 0.588 11.365 1.00 1.01 H new ATOM 0 HG23 VAL A 80 -7.094 0.712 10.464 1.00 1.01 H new ATOM 1153 N PHE A 81 -4.257 1.094 8.661 1.00 70.45 N ATOM 1154 CA PHE A 81 -3.241 2.107 8.827 1.00 51.13 C ATOM 1155 C PHE A 81 -3.343 2.654 10.237 1.00 10.42 C ATOM 1156 O PHE A 81 -4.446 2.828 10.758 1.00 42.45 O ATOM 1157 CB PHE A 81 -3.514 3.249 7.845 1.00 72.14 C ATOM 1158 CG PHE A 81 -3.532 2.770 6.418 1.00 32.41 C ATOM 1159 CD1 PHE A 81 -2.336 2.670 5.696 1.00 70.22 C ATOM 1160 CD2 PHE A 81 -4.737 2.335 5.839 1.00 65.13 C ATOM 1161 CE1 PHE A 81 -2.350 2.159 4.398 1.00 22.22 C ATOM 1162 CE2 PHE A 81 -4.738 1.787 4.553 1.00 42.12 C ATOM 1163 CZ PHE A 81 -3.545 1.701 3.825 1.00 1.44 C ATOM 0 H PHE A 81 -5.048 1.390 8.089 1.00 70.45 H new ATOM 0 HA PHE A 81 -2.253 1.685 8.646 1.00 51.13 H new ATOM 0 HB2 PHE A 81 -4.471 3.713 8.084 1.00 72.14 H new ATOM 0 HB3 PHE A 81 -2.750 4.018 7.960 1.00 72.14 H new ATOM 0 HD1 PHE A 81 -1.406 2.988 6.143 1.00 70.22 H new ATOM 0 HD2 PHE A 81 -5.663 2.424 6.388 1.00 65.13 H new ATOM 0 HE1 PHE A 81 -1.433 2.116 3.830 1.00 22.22 H new ATOM 0 HE2 PHE A 81 -5.661 1.429 4.120 1.00 42.12 H new ATOM 0 HZ PHE A 81 -3.545 1.285 2.829 1.00 1.44 H new ATOM 1172 N ASP A 82 -2.203 3.048 10.797 1.00 65.23 N ATOM 1173 CA ASP A 82 -2.139 3.612 12.140 1.00 54.24 C ATOM 1174 C ASP A 82 -2.931 4.918 12.261 1.00 44.41 C ATOM 1175 O ASP A 82 -3.282 5.339 13.357 1.00 23.44 O ATOM 1176 CB ASP A 82 -0.682 3.844 12.533 1.00 31.43 C ATOM 1177 CG ASP A 82 -0.542 3.865 14.046 1.00 43.31 C ATOM 1178 OD1 ASP A 82 -0.323 2.773 14.607 1.00 34.42 O ATOM 1179 OD2 ASP A 82 -0.636 4.950 14.667 1.00 4.51 O ATOM 0 H ASP A 82 -1.298 2.985 10.332 1.00 65.23 H new ATOM 0 HA ASP A 82 -2.597 2.894 12.820 1.00 54.24 H new ATOM 0 HB2 ASP A 82 -0.055 3.057 12.114 1.00 31.43 H new ATOM 0 HB3 ASP A 82 -0.331 4.788 12.115 1.00 31.43 H new ATOM 1183 N ASP A 83 -3.253 5.556 11.128 1.00 25.33 N ATOM 1184 CA ASP A 83 -4.033 6.789 11.037 1.00 10.30 C ATOM 1185 C ASP A 83 -5.410 6.638 11.681 1.00 42.44 C ATOM 1186 O ASP A 83 -5.936 7.617 12.211 1.00 3.04 O ATOM 1187 CB ASP A 83 -4.207 7.203 9.562 1.00 61.44 C ATOM 1188 CG ASP A 83 -3.667 8.606 9.300 1.00 43.22 C ATOM 1189 OD1 ASP A 83 -2.426 8.722 9.237 1.00 30.14 O ATOM 1190 OD2 ASP A 83 -4.441 9.542 9.021 1.00 43.25 O ATOM 0 H ASP A 83 -2.963 5.209 10.214 1.00 25.33 H new ATOM 0 HA ASP A 83 -3.483 7.559 11.578 1.00 10.30 H new ATOM 0 HB2 ASP A 83 -3.690 6.489 8.921 1.00 61.44 H new ATOM 0 HB3 ASP A 83 -5.263 7.164 9.296 1.00 61.44 H new ATOM 1194 N GLY A 84 -5.964 5.421 11.681 1.00 51.05 N ATOM 1195 CA GLY A 84 -7.342 5.146 12.060 1.00 50.25 C ATOM 1196 C GLY A 84 -8.232 5.241 10.828 1.00 70.54 C ATOM 1197 O GLY A 84 -9.106 6.105 10.751 1.00 72.14 O ATOM 0 H GLY A 84 -5.449 4.584 11.410 1.00 51.05 H new ATOM 0 HA2 GLY A 84 -7.418 4.153 12.502 1.00 50.25 H new ATOM 0 HA3 GLY A 84 -7.672 5.858 12.817 1.00 50.25 H new ATOM 1201 N HIS A 85 -7.958 4.395 9.830 1.00 24.33 N ATOM 1202 CA HIS A 85 -8.853 4.110 8.713 1.00 65.21 C ATOM 1203 C HIS A 85 -8.598 2.641 8.366 1.00 21.31 C ATOM 1204 O HIS A 85 -7.643 2.320 7.664 1.00 65.53 O ATOM 1205 CB HIS A 85 -8.626 5.084 7.540 1.00 45.31 C ATOM 1206 CG HIS A 85 -9.705 5.103 6.470 1.00 22.35 C ATOM 1207 ND1 HIS A 85 -9.539 5.577 5.189 1.00 61.34 N ATOM 1208 CD2 HIS A 85 -11.034 4.779 6.600 1.00 24.14 C ATOM 1209 CE1 HIS A 85 -10.720 5.533 4.558 1.00 63.31 C ATOM 1210 NE2 HIS A 85 -11.672 5.067 5.383 1.00 71.50 N ATOM 0 H HIS A 85 -7.081 3.877 9.779 1.00 24.33 H new ATOM 0 HA HIS A 85 -9.903 4.260 8.965 1.00 65.21 H new ATOM 0 HB2 HIS A 85 -8.526 6.091 7.945 1.00 45.31 H new ATOM 0 HB3 HIS A 85 -7.677 4.835 7.066 1.00 45.31 H new ATOM 0 HD2 HIS A 85 -11.505 4.374 7.483 1.00 24.14 H new ATOM 0 HE1 HIS A 85 -10.883 5.830 3.532 1.00 63.31 H new ATOM 0 HE2 HIS A 85 -12.662 4.946 5.168 1.00 71.50 H new ATOM 1217 N ASP A 86 -9.344 1.734 8.993 1.00 70.34 N ATOM 1218 CA ASP A 86 -9.177 0.280 8.877 1.00 70.42 C ATOM 1219 C ASP A 86 -9.867 -0.306 7.649 1.00 73.54 C ATOM 1220 O ASP A 86 -9.451 -1.330 7.102 1.00 43.13 O ATOM 1221 CB ASP A 86 -9.659 -0.385 10.179 1.00 61.33 C ATOM 1222 CG ASP A 86 -11.056 -0.980 10.097 1.00 61.23 C ATOM 1223 OD1 ASP A 86 -12.041 -0.214 10.191 1.00 25.32 O ATOM 1224 OD2 ASP A 86 -11.149 -2.226 10.031 1.00 11.15 O ATOM 0 H ASP A 86 -10.107 1.996 9.617 1.00 70.34 H new ATOM 0 HA ASP A 86 -8.117 0.070 8.733 1.00 70.42 H new ATOM 0 HB2 ASP A 86 -8.957 -1.172 10.453 1.00 61.33 H new ATOM 0 HB3 ASP A 86 -9.638 0.354 10.980 1.00 61.33 H new ATOM 1228 N THR A 87 -10.898 0.371 7.174 1.00 25.15 N ATOM 1229 CA THR A 87 -11.678 0.049 6.005 1.00 22.34 C ATOM 1230 C THR A 87 -10.811 0.260 4.753 1.00 63.12 C ATOM 1231 O THR A 87 -10.428 1.382 4.413 1.00 21.32 O ATOM 1232 CB THR A 87 -12.973 0.892 6.078 1.00 72.23 C ATOM 1233 OG1 THR A 87 -12.819 2.053 6.888 1.00 2.35 O ATOM 1234 CG2 THR A 87 -14.066 0.063 6.752 1.00 3.01 C ATOM 0 H THR A 87 -11.231 1.219 7.632 1.00 25.15 H new ATOM 0 HA THR A 87 -11.987 -0.995 5.955 1.00 22.34 H new ATOM 0 HB THR A 87 -13.217 1.181 5.056 1.00 72.23 H new ATOM 0 HG1 THR A 87 -13.661 2.555 6.904 1.00 2.35 H new ATOM 0 HG21 THR A 87 -14.984 0.648 6.809 1.00 3.01 H new ATOM 0 HG22 THR A 87 -14.247 -0.841 6.171 1.00 3.01 H new ATOM 0 HG23 THR A 87 -13.747 -0.210 7.758 1.00 3.01 H new ATOM 1242 N GLY A 88 -10.444 -0.830 4.075 1.00 2.34 N ATOM 1243 CA GLY A 88 -9.726 -0.788 2.805 1.00 73.21 C ATOM 1244 C GLY A 88 -9.849 -2.099 2.050 1.00 10.12 C ATOM 1245 O GLY A 88 -10.464 -2.129 0.990 1.00 70.13 O ATOM 0 H GLY A 88 -10.641 -1.777 4.399 1.00 2.34 H new ATOM 0 HA2 GLY A 88 -10.117 0.024 2.192 1.00 73.21 H new ATOM 0 HA3 GLY A 88 -8.674 -0.570 2.988 1.00 73.21 H new ATOM 1249 N LEU A 89 -9.334 -3.166 2.661 1.00 73.40 N ATOM 1250 CA LEU A 89 -9.356 -4.563 2.280 1.00 50.22 C ATOM 1251 C LEU A 89 -8.526 -4.847 1.026 1.00 50.10 C ATOM 1252 O LEU A 89 -8.873 -4.508 -0.106 1.00 63.21 O ATOM 1253 CB LEU A 89 -10.789 -5.030 2.159 1.00 32.13 C ATOM 1254 CG LEU A 89 -11.074 -6.450 2.639 1.00 2.01 C ATOM 1255 CD1 LEU A 89 -10.081 -7.495 2.171 1.00 52.10 C ATOM 1256 CD2 LEU A 89 -11.160 -6.471 4.167 1.00 44.04 C ATOM 0 H LEU A 89 -8.832 -3.047 3.541 1.00 73.40 H new ATOM 0 HA LEU A 89 -8.874 -5.144 3.066 1.00 50.22 H new ATOM 0 HB2 LEU A 89 -11.422 -4.344 2.721 1.00 32.13 H new ATOM 0 HB3 LEU A 89 -11.087 -4.955 1.113 1.00 32.13 H new ATOM 0 HG LEU A 89 -12.026 -6.726 2.185 1.00 2.01 H new ATOM 0 HD11 LEU A 89 -10.368 -8.471 2.563 1.00 52.10 H new ATOM 0 HD12 LEU A 89 -10.075 -7.529 1.082 1.00 52.10 H new ATOM 0 HD13 LEU A 89 -9.085 -7.238 2.531 1.00 52.10 H new ATOM 0 HD21 LEU A 89 -11.364 -7.487 4.506 1.00 44.04 H new ATOM 0 HD22 LEU A 89 -10.215 -6.130 4.589 1.00 44.04 H new ATOM 0 HD23 LEU A 89 -11.963 -5.811 4.495 1.00 44.04 H new ATOM 1267 N TYR A 90 -7.399 -5.497 1.255 1.00 2.23 N ATOM 1268 CA TYR A 90 -6.265 -5.563 0.348 1.00 4.35 C ATOM 1269 C TYR A 90 -6.135 -7.009 -0.108 1.00 61.43 C ATOM 1270 O TYR A 90 -5.822 -7.901 0.687 1.00 73.52 O ATOM 1271 CB TYR A 90 -5.008 -5.005 1.041 1.00 25.34 C ATOM 1272 CG TYR A 90 -5.088 -3.512 1.321 1.00 42.00 C ATOM 1273 CD1 TYR A 90 -5.844 -3.027 2.405 1.00 54.22 C ATOM 1274 CD2 TYR A 90 -4.442 -2.598 0.467 1.00 64.13 C ATOM 1275 CE1 TYR A 90 -6.046 -1.646 2.569 1.00 5.02 C ATOM 1276 CE2 TYR A 90 -4.623 -1.215 0.640 1.00 61.50 C ATOM 1277 CZ TYR A 90 -5.492 -0.736 1.645 1.00 14.43 C ATOM 1278 OH TYR A 90 -5.779 0.589 1.709 1.00 52.31 O ATOM 0 H TYR A 90 -7.241 -6.017 2.118 1.00 2.23 H new ATOM 0 HA TYR A 90 -6.404 -4.943 -0.537 1.00 4.35 H new ATOM 0 HB2 TYR A 90 -4.853 -5.536 1.980 1.00 25.34 H new ATOM 0 HB3 TYR A 90 -4.138 -5.204 0.415 1.00 25.34 H new ATOM 0 HD1 TYR A 90 -6.271 -3.720 3.115 1.00 54.22 H new ATOM 0 HD2 TYR A 90 -3.804 -2.961 -0.325 1.00 64.13 H new ATOM 0 HE1 TYR A 90 -6.626 -1.281 3.404 1.00 5.02 H new ATOM 0 HE2 TYR A 90 -4.097 -0.518 0.004 1.00 61.50 H new ATOM 0 HH TYR A 90 -5.259 1.002 2.429 1.00 52.31 H new ATOM 1287 N SER A 91 -6.475 -7.255 -1.370 1.00 73.34 N ATOM 1288 CA SER A 91 -6.458 -8.568 -1.989 1.00 33.24 C ATOM 1289 C SER A 91 -5.085 -8.848 -2.562 1.00 1.45 C ATOM 1290 O SER A 91 -4.416 -7.928 -3.021 1.00 70.24 O ATOM 1291 CB SER A 91 -7.512 -8.608 -3.092 1.00 62.11 C ATOM 1292 OG SER A 91 -7.421 -7.488 -3.941 1.00 22.42 O ATOM 0 H SER A 91 -6.779 -6.519 -2.007 1.00 73.34 H new ATOM 0 HA SER A 91 -6.684 -9.332 -1.245 1.00 33.24 H new ATOM 0 HB2 SER A 91 -7.391 -9.519 -3.678 1.00 62.11 H new ATOM 0 HB3 SER A 91 -8.505 -8.646 -2.645 1.00 62.11 H new ATOM 0 HG SER A 91 -8.109 -7.548 -4.636 1.00 22.42 H new ATOM 1297 N TRP A 92 -4.690 -10.119 -2.619 1.00 43.43 N ATOM 1298 CA TRP A 92 -3.394 -10.546 -3.141 1.00 5.23 C ATOM 1299 C TRP A 92 -3.059 -9.881 -4.482 1.00 42.42 C ATOM 1300 O TRP A 92 -1.908 -9.507 -4.720 1.00 31.15 O ATOM 1301 CB TRP A 92 -3.412 -12.076 -3.262 1.00 63.54 C ATOM 1302 CG TRP A 92 -3.834 -12.863 -2.047 1.00 21.43 C ATOM 1303 CD1 TRP A 92 -4.443 -14.072 -2.095 1.00 72.30 C ATOM 1304 CD2 TRP A 92 -3.688 -12.560 -0.618 1.00 70.13 C ATOM 1305 NE1 TRP A 92 -4.694 -14.523 -0.817 1.00 52.12 N ATOM 1306 CE2 TRP A 92 -4.228 -13.646 0.132 1.00 32.45 C ATOM 1307 CE3 TRP A 92 -3.129 -11.503 0.135 1.00 4.22 C ATOM 1308 CZ2 TRP A 92 -4.213 -13.689 1.533 1.00 30.42 C ATOM 1309 CZ3 TRP A 92 -3.068 -11.553 1.540 1.00 44.33 C ATOM 1310 CH2 TRP A 92 -3.616 -12.638 2.242 1.00 65.42 C ATOM 0 H TRP A 92 -5.272 -10.893 -2.298 1.00 43.43 H new ATOM 0 HA TRP A 92 -2.608 -10.233 -2.453 1.00 5.23 H new ATOM 0 HB2 TRP A 92 -4.078 -12.341 -4.083 1.00 63.54 H new ATOM 0 HB3 TRP A 92 -2.411 -12.403 -3.545 1.00 63.54 H new ATOM 0 HD1 TRP A 92 -4.695 -14.604 -3.001 1.00 72.30 H new ATOM 0 HE1 TRP A 92 -5.168 -15.400 -0.602 1.00 52.12 H new ATOM 0 HE3 TRP A 92 -2.740 -10.637 -0.380 1.00 4.22 H new ATOM 0 HZ2 TRP A 92 -4.656 -14.522 2.059 1.00 30.42 H new ATOM 0 HZ3 TRP A 92 -2.595 -10.749 2.084 1.00 44.33 H new ATOM 0 HH2 TRP A 92 -3.578 -12.663 3.321 1.00 65.42 H new ATOM 1320 N LYS A 93 -4.062 -9.692 -5.344 1.00 64.23 N ATOM 1321 CA LYS A 93 -3.919 -9.037 -6.636 1.00 64.21 C ATOM 1322 C LYS A 93 -3.458 -7.587 -6.490 1.00 32.14 C ATOM 1323 O LYS A 93 -2.539 -7.177 -7.193 1.00 65.51 O ATOM 1324 CB LYS A 93 -5.255 -9.170 -7.387 1.00 22.33 C ATOM 1325 CG LYS A 93 -5.105 -9.040 -8.909 1.00 5.41 C ATOM 1326 CD LYS A 93 -5.424 -7.652 -9.472 1.00 31.13 C ATOM 1327 CE LYS A 93 -6.577 -7.667 -10.487 1.00 44.22 C ATOM 1328 NZ LYS A 93 -7.919 -7.695 -9.865 1.00 23.21 N ATOM 0 H LYS A 93 -5.016 -9.999 -5.153 1.00 64.23 H new ATOM 0 HA LYS A 93 -3.136 -9.522 -7.219 1.00 64.21 H new ATOM 0 HB2 LYS A 93 -5.702 -10.136 -7.153 1.00 22.33 H new ATOM 0 HB3 LYS A 93 -5.944 -8.405 -7.029 1.00 22.33 H new ATOM 0 HG2 LYS A 93 -4.083 -9.301 -9.182 1.00 5.41 H new ATOM 0 HG3 LYS A 93 -5.759 -9.769 -9.388 1.00 5.41 H new ATOM 0 HD2 LYS A 93 -5.679 -6.982 -8.651 1.00 31.13 H new ATOM 0 HD3 LYS A 93 -4.532 -7.246 -9.949 1.00 31.13 H new ATOM 0 HE2 LYS A 93 -6.500 -6.785 -11.123 1.00 44.22 H new ATOM 0 HE3 LYS A 93 -6.468 -8.538 -11.134 1.00 44.22 H new ATOM 0 HZ1 LYS A 93 -8.646 -7.704 -10.609 1.00 23.21 H new ATOM 0 HZ2 LYS A 93 -8.012 -8.549 -9.279 1.00 23.21 H new ATOM 0 HZ3 LYS A 93 -8.043 -6.852 -9.269 1.00 23.21 H new ATOM 1338 N VAL A 94 -4.054 -6.825 -5.568 1.00 13.24 N ATOM 1339 CA VAL A 94 -3.696 -5.420 -5.370 1.00 5.04 C ATOM 1340 C VAL A 94 -2.234 -5.315 -4.938 1.00 71.31 C ATOM 1341 O VAL A 94 -1.488 -4.494 -5.472 1.00 53.21 O ATOM 1342 CB VAL A 94 -4.630 -4.764 -4.325 1.00 51.22 C ATOM 1343 CG1 VAL A 94 -4.186 -3.364 -3.866 1.00 63.34 C ATOM 1344 CG2 VAL A 94 -6.055 -4.640 -4.863 1.00 34.15 C ATOM 0 H VAL A 94 -4.789 -7.161 -4.946 1.00 13.24 H new ATOM 0 HA VAL A 94 -3.820 -4.885 -6.312 1.00 5.04 H new ATOM 0 HB VAL A 94 -4.582 -5.433 -3.465 1.00 51.22 H new ATOM 0 HG11 VAL A 94 -4.896 -2.979 -3.135 1.00 63.34 H new ATOM 0 HG12 VAL A 94 -3.197 -3.426 -3.413 1.00 63.34 H new ATOM 0 HG13 VAL A 94 -4.150 -2.694 -4.725 1.00 63.34 H new ATOM 0 HG21 VAL A 94 -6.690 -4.176 -4.108 1.00 34.15 H new ATOM 0 HG22 VAL A 94 -6.052 -4.025 -5.763 1.00 34.15 H new ATOM 0 HG23 VAL A 94 -6.441 -5.631 -5.102 1.00 34.15 H new ATOM 1354 N LEU A 95 -1.824 -6.120 -3.950 1.00 4.43 N ATOM 1355 CA LEU A 95 -0.492 -6.013 -3.382 1.00 43.32 C ATOM 1356 C LEU A 95 0.570 -6.327 -4.446 1.00 33.21 C ATOM 1357 O LEU A 95 1.618 -5.688 -4.452 1.00 10.34 O ATOM 1358 CB LEU A 95 -0.345 -6.935 -2.164 1.00 51.31 C ATOM 1359 CG LEU A 95 -1.167 -6.539 -0.913 1.00 71.42 C ATOM 1360 CD1 LEU A 95 -2.575 -7.113 -0.923 1.00 45.23 C ATOM 1361 CD2 LEU A 95 -0.500 -7.033 0.375 1.00 62.34 C ATOM 0 H LEU A 95 -2.402 -6.850 -3.533 1.00 4.43 H new ATOM 0 HA LEU A 95 -0.340 -4.988 -3.043 1.00 43.32 H new ATOM 0 HB2 LEU A 95 -0.633 -7.944 -2.460 1.00 51.31 H new ATOM 0 HB3 LEU A 95 0.708 -6.972 -1.886 1.00 51.31 H new ATOM 0 HG LEU A 95 -1.213 -5.450 -0.943 1.00 71.42 H new ATOM 0 HD11 LEU A 95 -3.102 -6.801 -0.021 1.00 45.23 H new ATOM 0 HD12 LEU A 95 -3.110 -6.749 -1.800 1.00 45.23 H new ATOM 0 HD13 LEU A 95 -2.524 -8.201 -0.955 1.00 45.23 H new ATOM 0 HD21 LEU A 95 -1.103 -6.738 1.233 1.00 62.34 H new ATOM 0 HD22 LEU A 95 -0.415 -8.119 0.347 1.00 62.34 H new ATOM 0 HD23 LEU A 95 0.494 -6.594 0.462 1.00 62.34 H new ATOM 1372 N TYR A 96 0.298 -7.281 -5.349 1.00 14.13 N ATOM 1373 CA TYR A 96 1.179 -7.602 -6.471 1.00 61.13 C ATOM 1374 C TYR A 96 1.365 -6.378 -7.372 1.00 61.11 C ATOM 1375 O TYR A 96 2.500 -6.012 -7.683 1.00 62.54 O ATOM 1376 CB TYR A 96 0.644 -8.815 -7.262 1.00 22.23 C ATOM 1377 CG TYR A 96 1.725 -9.721 -7.839 1.00 1.13 C ATOM 1378 CD1 TYR A 96 2.702 -9.216 -8.718 1.00 12.04 C ATOM 1379 CD2 TYR A 96 1.772 -11.081 -7.477 1.00 33.41 C ATOM 1380 CE1 TYR A 96 3.733 -10.050 -9.186 1.00 54.31 C ATOM 1381 CE2 TYR A 96 2.818 -11.909 -7.917 1.00 25.35 C ATOM 1382 CZ TYR A 96 3.813 -11.393 -8.767 1.00 50.34 C ATOM 1383 OH TYR A 96 4.808 -12.205 -9.205 1.00 71.44 O ATOM 0 H TYR A 96 -0.546 -7.853 -5.317 1.00 14.13 H new ATOM 0 HA TYR A 96 2.157 -7.878 -6.077 1.00 61.13 H new ATOM 0 HB2 TYR A 96 0.004 -9.406 -6.607 1.00 22.23 H new ATOM 0 HB3 TYR A 96 0.018 -8.453 -8.077 1.00 22.23 H new ATOM 0 HD1 TYR A 96 2.659 -8.184 -9.034 1.00 12.04 H new ATOM 0 HD2 TYR A 96 0.993 -11.493 -6.853 1.00 33.41 H new ATOM 0 HE1 TYR A 96 4.469 -9.658 -9.872 1.00 54.31 H new ATOM 0 HE2 TYR A 96 2.858 -12.941 -7.603 1.00 25.35 H new ATOM 0 HH TYR A 96 4.702 -13.095 -8.809 1.00 71.44 H new ATOM 1392 N ASP A 97 0.262 -5.744 -7.780 1.00 34.31 N ATOM 1393 CA ASP A 97 0.285 -4.644 -8.743 1.00 41.33 C ATOM 1394 C ASP A 97 1.079 -3.467 -8.209 1.00 43.43 C ATOM 1395 O ASP A 97 1.990 -2.987 -8.879 1.00 72.34 O ATOM 1396 CB ASP A 97 -1.134 -4.181 -9.091 1.00 51.33 C ATOM 1397 CG ASP A 97 -1.139 -3.442 -10.431 1.00 44.24 C ATOM 1398 OD1 ASP A 97 -1.278 -4.123 -11.478 1.00 21.34 O ATOM 1399 OD2 ASP A 97 -1.036 -2.197 -10.456 1.00 43.22 O ATOM 0 H ASP A 97 -0.673 -5.981 -7.450 1.00 34.31 H new ATOM 0 HA ASP A 97 0.767 -5.019 -9.646 1.00 41.33 H new ATOM 0 HB2 ASP A 97 -1.802 -5.041 -9.140 1.00 51.33 H new ATOM 0 HB3 ASP A 97 -1.513 -3.527 -8.306 1.00 51.33 H new ATOM 1403 N LEU A 98 0.772 -3.037 -6.983 1.00 23.45 N ATOM 1404 CA LEU A 98 1.467 -1.952 -6.313 1.00 53.42 C ATOM 1405 C LEU A 98 2.956 -2.242 -6.267 1.00 23.14 C ATOM 1406 O LEU A 98 3.736 -1.376 -6.632 1.00 44.43 O ATOM 1407 CB LEU A 98 0.906 -1.762 -4.898 1.00 22.32 C ATOM 1408 CG LEU A 98 -0.525 -1.202 -4.890 1.00 74.21 C ATOM 1409 CD1 LEU A 98 -1.057 -1.168 -3.452 1.00 61.44 C ATOM 1410 CD2 LEU A 98 -0.562 0.215 -5.464 1.00 45.42 C ATOM 0 H LEU A 98 0.021 -3.444 -6.425 1.00 23.45 H new ATOM 0 HA LEU A 98 1.312 -1.028 -6.870 1.00 53.42 H new ATOM 0 HB2 LEU A 98 0.919 -2.719 -4.376 1.00 22.32 H new ATOM 0 HB3 LEU A 98 1.557 -1.087 -4.342 1.00 22.32 H new ATOM 0 HG LEU A 98 -1.146 -1.850 -5.508 1.00 74.21 H new ATOM 0 HD11 LEU A 98 -2.072 -0.770 -3.449 1.00 61.44 H new ATOM 0 HD12 LEU A 98 -1.062 -2.178 -3.042 1.00 61.44 H new ATOM 0 HD13 LEU A 98 -0.416 -0.531 -2.842 1.00 61.44 H new ATOM 0 HD21 LEU A 98 -1.586 0.588 -5.447 1.00 45.42 H new ATOM 0 HD22 LEU A 98 0.072 0.867 -4.863 1.00 45.42 H new ATOM 0 HD23 LEU A 98 -0.198 0.201 -6.491 1.00 45.42 H new ATOM 1421 N ALA A 99 3.360 -3.447 -5.860 1.00 41.11 N ATOM 1422 CA ALA A 99 4.772 -3.807 -5.786 1.00 70.51 C ATOM 1423 C ALA A 99 5.459 -3.728 -7.149 1.00 4.02 C ATOM 1424 O ALA A 99 6.603 -3.280 -7.221 1.00 24.25 O ATOM 1425 CB ALA A 99 4.921 -5.201 -5.187 1.00 51.44 C ATOM 0 H ALA A 99 2.723 -4.192 -5.576 1.00 41.11 H new ATOM 0 HA ALA A 99 5.267 -3.082 -5.139 1.00 70.51 H new ATOM 0 HB1 ALA A 99 5.978 -5.463 -5.135 1.00 51.44 H new ATOM 0 HB2 ALA A 99 4.494 -5.214 -4.184 1.00 51.44 H new ATOM 0 HB3 ALA A 99 4.398 -5.924 -5.813 1.00 51.44 H new ATOM 1431 N SER A 100 4.775 -4.121 -8.225 1.00 72.51 N ATOM 1432 CA SER A 100 5.313 -4.041 -9.576 1.00 63.53 C ATOM 1433 C SER A 100 5.420 -2.604 -10.091 1.00 53.21 C ATOM 1434 O SER A 100 6.079 -2.388 -11.108 1.00 51.13 O ATOM 1435 CB SER A 100 4.444 -4.891 -10.513 1.00 50.40 C ATOM 1436 OG SER A 100 5.109 -5.102 -11.749 1.00 30.15 O ATOM 0 H SER A 100 3.831 -4.504 -8.180 1.00 72.51 H new ATOM 0 HA SER A 100 6.331 -4.430 -9.553 1.00 63.53 H new ATOM 0 HB2 SER A 100 4.222 -5.850 -10.044 1.00 50.40 H new ATOM 0 HB3 SER A 100 3.490 -4.393 -10.686 1.00 50.40 H new ATOM 0 HG SER A 100 5.764 -4.388 -11.894 1.00 30.15 H new ATOM 1441 N ASN A 101 4.774 -1.636 -9.441 1.00 41.00 N ATOM 1442 CA ASN A 101 4.603 -0.280 -9.955 1.00 3.03 C ATOM 1443 C ASN A 101 4.963 0.778 -8.903 1.00 14.45 C ATOM 1444 O ASN A 101 4.567 1.934 -9.051 1.00 13.43 O ATOM 1445 CB ASN A 101 3.157 -0.117 -10.453 1.00 42.41 C ATOM 1446 CG ASN A 101 2.857 -0.967 -11.675 1.00 0.43 C ATOM 1447 OD1 ASN A 101 3.147 -0.585 -12.800 1.00 20.52 O ATOM 1448 ND2 ASN A 101 2.246 -2.126 -11.510 1.00 61.20 N ATOM 0 H ASN A 101 4.347 -1.777 -8.525 1.00 41.00 H new ATOM 0 HA ASN A 101 5.289 -0.124 -10.787 1.00 3.03 H new ATOM 0 HB2 ASN A 101 2.469 -0.385 -9.651 1.00 42.41 H new ATOM 0 HB3 ASN A 101 2.975 0.931 -10.691 1.00 42.41 H new ATOM 0 HD21 ASN A 101 2.017 -2.701 -12.320 1.00 61.20 H new ATOM 0 HD22 ASN A 101 2.004 -2.446 -10.572 1.00 61.20 H new ATOM 1454 N GLN A 102 5.673 0.424 -7.822 1.00 61.51 N ATOM 1455 CA GLN A 102 5.698 1.249 -6.615 1.00 20.25 C ATOM 1456 C GLN A 102 6.526 2.506 -6.819 1.00 51.32 C ATOM 1457 O GLN A 102 6.373 3.468 -6.068 1.00 60.33 O ATOM 1458 CB GLN A 102 6.200 0.480 -5.374 1.00 13.32 C ATOM 1459 CG GLN A 102 7.658 -0.012 -5.406 1.00 3.24 C ATOM 1460 CD GLN A 102 8.173 -0.290 -3.996 1.00 22.44 C ATOM 1461 OE1 GLN A 102 8.773 0.571 -3.360 1.00 21.34 O ATOM 1462 NE2 GLN A 102 7.918 -1.482 -3.476 1.00 44.25 N ATOM 0 H GLN A 102 6.234 -0.426 -7.763 1.00 61.51 H new ATOM 0 HA GLN A 102 4.663 1.534 -6.426 1.00 20.25 H new ATOM 0 HB2 GLN A 102 6.078 1.124 -4.503 1.00 13.32 H new ATOM 0 HB3 GLN A 102 5.553 -0.384 -5.225 1.00 13.32 H new ATOM 0 HG2 GLN A 102 7.726 -0.919 -6.007 1.00 3.24 H new ATOM 0 HG3 GLN A 102 8.288 0.737 -5.886 1.00 3.24 H new ATOM 0 HE21 GLN A 102 7.418 -2.181 -4.025 1.00 44.25 H new ATOM 0 HE22 GLN A 102 8.222 -1.700 -2.527 1.00 44.25 H new ATOM 1469 N VAL A 103 7.409 2.473 -7.810 1.00 41.14 N ATOM 1470 CA VAL A 103 8.323 3.536 -8.144 1.00 32.54 C ATOM 1471 C VAL A 103 7.577 4.506 -9.052 1.00 12.42 C ATOM 1472 O VAL A 103 7.437 5.688 -8.728 1.00 23.12 O ATOM 1473 CB VAL A 103 9.559 2.913 -8.818 1.00 64.42 C ATOM 1474 CG1 VAL A 103 10.640 3.956 -9.061 1.00 14.22 C ATOM 1475 CG2 VAL A 103 10.167 1.799 -7.957 1.00 73.51 C ATOM 0 H VAL A 103 7.504 1.664 -8.424 1.00 41.14 H new ATOM 0 HA VAL A 103 8.673 4.087 -7.271 1.00 32.54 H new ATOM 0 HB VAL A 103 9.215 2.502 -9.767 1.00 64.42 H new ATOM 0 HG11 VAL A 103 11.499 3.485 -9.538 1.00 14.22 H new ATOM 0 HG12 VAL A 103 10.250 4.740 -9.710 1.00 14.22 H new ATOM 0 HG13 VAL A 103 10.946 4.391 -8.110 1.00 14.22 H new ATOM 0 HG21 VAL A 103 11.037 1.382 -8.463 1.00 73.51 H new ATOM 0 HG22 VAL A 103 10.470 2.208 -6.993 1.00 73.51 H new ATOM 0 HG23 VAL A 103 9.427 1.014 -7.802 1.00 73.51 H new ATOM 1485 N ASP A 104 7.079 3.978 -10.172 1.00 75.41 N ATOM 1486 CA ASP A 104 6.427 4.732 -11.232 1.00 22.44 C ATOM 1487 C ASP A 104 5.216 5.492 -10.695 1.00 60.11 C ATOM 1488 O ASP A 104 5.065 6.692 -10.947 1.00 13.31 O ATOM 1489 CB ASP A 104 6.021 3.774 -12.363 1.00 73.43 C ATOM 1490 CG ASP A 104 5.239 4.494 -13.468 1.00 71.34 C ATOM 1491 OD1 ASP A 104 5.876 5.041 -14.393 1.00 74.44 O ATOM 1492 OD2 ASP A 104 3.987 4.533 -13.406 1.00 63.23 O ATOM 0 H ASP A 104 7.123 2.978 -10.368 1.00 75.41 H new ATOM 0 HA ASP A 104 7.125 5.470 -11.627 1.00 22.44 H new ATOM 0 HB2 ASP A 104 6.914 3.316 -12.789 1.00 73.43 H new ATOM 0 HB3 ASP A 104 5.413 2.967 -11.955 1.00 73.43 H new ATOM 1496 N LEU A 105 4.353 4.804 -9.941 1.00 42.20 N ATOM 1497 CA LEU A 105 3.144 5.388 -9.374 1.00 11.03 C ATOM 1498 C LEU A 105 3.498 6.513 -8.409 1.00 62.51 C ATOM 1499 O LEU A 105 2.908 7.596 -8.477 1.00 63.11 O ATOM 1500 CB LEU A 105 2.303 4.299 -8.679 1.00 43.01 C ATOM 1501 CG LEU A 105 1.604 3.370 -9.689 1.00 20.15 C ATOM 1502 CD1 LEU A 105 1.024 2.161 -8.942 1.00 32.25 C ATOM 1503 CD2 LEU A 105 0.549 4.120 -10.523 1.00 60.50 C ATOM 0 H LEU A 105 4.479 3.819 -9.708 1.00 42.20 H new ATOM 0 HA LEU A 105 2.546 5.815 -10.179 1.00 11.03 H new ATOM 0 HB2 LEU A 105 2.946 3.707 -8.028 1.00 43.01 H new ATOM 0 HB3 LEU A 105 1.554 4.771 -8.044 1.00 43.01 H new ATOM 0 HG LEU A 105 2.336 3.007 -10.411 1.00 20.15 H new ATOM 0 HD11 LEU A 105 0.527 1.499 -9.651 1.00 32.25 H new ATOM 0 HD12 LEU A 105 1.829 1.621 -8.444 1.00 32.25 H new ATOM 0 HD13 LEU A 105 0.303 2.504 -8.200 1.00 32.25 H new ATOM 0 HD21 LEU A 105 0.080 3.429 -11.223 1.00 60.50 H new ATOM 0 HD22 LEU A 105 -0.210 4.536 -9.860 1.00 60.50 H new ATOM 0 HD23 LEU A 105 1.029 4.927 -11.077 1.00 60.50 H new ATOM 1514 N TRP A 106 4.456 6.237 -7.521 1.00 12.24 N ATOM 1515 CA TRP A 106 4.846 7.155 -6.463 1.00 71.34 C ATOM 1516 C TRP A 106 5.381 8.465 -7.019 1.00 20.25 C ATOM 1517 O TRP A 106 4.992 9.530 -6.553 1.00 33.51 O ATOM 1518 CB TRP A 106 5.878 6.472 -5.574 1.00 64.24 C ATOM 1519 CG TRP A 106 6.367 7.287 -4.421 1.00 53.41 C ATOM 1520 CD1 TRP A 106 7.647 7.645 -4.189 1.00 64.43 C ATOM 1521 CD2 TRP A 106 5.589 7.900 -3.357 1.00 2.43 C ATOM 1522 NE1 TRP A 106 7.720 8.423 -3.052 1.00 64.43 N ATOM 1523 CE2 TRP A 106 6.473 8.621 -2.499 1.00 43.01 C ATOM 1524 CE3 TRP A 106 4.216 7.923 -3.036 1.00 42.15 C ATOM 1525 CZ2 TRP A 106 6.012 9.330 -1.379 1.00 11.10 C ATOM 1526 CZ3 TRP A 106 3.740 8.655 -1.935 1.00 61.35 C ATOM 1527 CH2 TRP A 106 4.633 9.364 -1.112 1.00 2.00 C ATOM 0 H TRP A 106 4.983 5.363 -7.521 1.00 12.24 H new ATOM 0 HA TRP A 106 3.965 7.407 -5.873 1.00 71.34 H new ATOM 0 HB2 TRP A 106 5.446 5.549 -5.188 1.00 64.24 H new ATOM 0 HB3 TRP A 106 6.734 6.191 -6.188 1.00 64.24 H new ATOM 0 HD1 TRP A 106 8.490 7.364 -4.803 1.00 64.43 H new ATOM 0 HE1 TRP A 106 8.586 8.803 -2.670 1.00 64.43 H new ATOM 0 HE3 TRP A 106 3.519 7.369 -3.647 1.00 42.15 H new ATOM 0 HZ2 TRP A 106 6.708 9.842 -0.731 1.00 11.10 H new ATOM 0 HZ3 TRP A 106 2.682 8.673 -1.720 1.00 61.35 H new ATOM 0 HH2 TRP A 106 4.259 9.935 -0.275 1.00 2.00 H new ATOM 1537 N GLU A 107 6.239 8.394 -8.023 1.00 23.21 N ATOM 1538 CA GLU A 107 6.845 9.536 -8.681 1.00 62.13 C ATOM 1539 C GLU A 107 5.797 10.574 -9.067 1.00 72.10 C ATOM 1540 O GLU A 107 5.899 11.757 -8.734 1.00 13.42 O ATOM 1541 CB GLU A 107 7.550 8.985 -9.939 1.00 22.55 C ATOM 1542 CG GLU A 107 9.049 9.284 -9.941 1.00 55.24 C ATOM 1543 CD GLU A 107 9.360 10.760 -10.162 1.00 44.25 C ATOM 1544 OE1 GLU A 107 9.458 11.181 -11.337 1.00 71.23 O ATOM 1545 OE2 GLU A 107 9.622 11.489 -9.174 1.00 51.14 O ATOM 0 H GLU A 107 6.543 7.503 -8.416 1.00 23.21 H new ATOM 0 HA GLU A 107 7.547 10.038 -8.015 1.00 62.13 H new ATOM 0 HB2 GLU A 107 7.397 7.907 -9.996 1.00 22.55 H new ATOM 0 HB3 GLU A 107 7.094 9.420 -10.828 1.00 22.55 H new ATOM 0 HG2 GLU A 107 9.479 8.966 -8.991 1.00 55.24 H new ATOM 0 HG3 GLU A 107 9.531 8.696 -10.722 1.00 55.24 H new ATOM 1550 N ASN A 108 4.771 10.104 -9.777 1.00 53.44 N ATOM 1551 CA ASN A 108 3.687 10.963 -10.225 1.00 64.42 C ATOM 1552 C ASN A 108 2.939 11.599 -9.040 1.00 14.22 C ATOM 1553 O ASN A 108 2.541 12.757 -9.151 1.00 33.43 O ATOM 1554 CB ASN A 108 2.822 10.207 -11.255 1.00 4.02 C ATOM 1555 CG ASN A 108 1.346 10.368 -10.964 1.00 61.30 C ATOM 1556 OD1 ASN A 108 0.613 11.116 -11.615 1.00 14.32 O ATOM 1557 ND2 ASN A 108 0.922 9.654 -9.938 1.00 21.53 N ATOM 0 H ASN A 108 4.673 9.127 -10.053 1.00 53.44 H new ATOM 0 HA ASN A 108 4.078 11.830 -10.758 1.00 64.42 H new ATOM 0 HB2 ASN A 108 3.039 10.578 -12.257 1.00 4.02 H new ATOM 0 HB3 ASN A 108 3.083 9.149 -11.244 1.00 4.02 H new ATOM 0 HD21 ASN A 108 -0.055 9.706 -9.650 1.00 21.53 H new ATOM 0 HD22 ASN A 108 1.571 9.050 -9.434 1.00 21.53 H new ATOM 1563 N TYR A 109 2.780 10.919 -7.897 1.00 40.01 N ATOM 1564 CA TYR A 109 2.167 11.534 -6.720 1.00 60.13 C ATOM 1565 C TYR A 109 3.013 12.706 -6.228 1.00 11.03 C ATOM 1566 O TYR A 109 2.451 13.726 -5.814 1.00 12.41 O ATOM 1567 CB TYR A 109 1.955 10.520 -5.582 1.00 0.25 C ATOM 1568 CG TYR A 109 0.761 9.591 -5.738 1.00 63.52 C ATOM 1569 CD1 TYR A 109 -0.562 10.079 -5.701 1.00 0.21 C ATOM 1570 CD2 TYR A 109 0.990 8.214 -5.909 1.00 0.12 C ATOM 1571 CE1 TYR A 109 -1.648 9.192 -5.859 1.00 41.13 C ATOM 1572 CE2 TYR A 109 -0.086 7.330 -6.061 1.00 41.34 C ATOM 1573 CZ TYR A 109 -1.410 7.812 -6.053 1.00 15.24 C ATOM 1574 OH TYR A 109 -2.432 6.929 -6.237 1.00 44.44 O ATOM 0 H TYR A 109 3.066 9.949 -7.766 1.00 40.01 H new ATOM 0 HA TYR A 109 1.186 11.900 -7.022 1.00 60.13 H new ATOM 0 HB2 TYR A 109 2.855 9.912 -5.490 1.00 0.25 H new ATOM 0 HB3 TYR A 109 1.844 11.069 -4.647 1.00 0.25 H new ATOM 0 HD1 TYR A 109 -0.744 11.133 -5.552 1.00 0.21 H new ATOM 0 HD2 TYR A 109 2.002 7.836 -5.923 1.00 0.12 H new ATOM 0 HE1 TYR A 109 -2.660 9.567 -5.832 1.00 41.13 H new ATOM 0 HE2 TYR A 109 0.100 6.273 -6.185 1.00 41.34 H new ATOM 0 HH TYR A 109 -2.068 6.027 -6.354 1.00 44.44 H new ATOM 1583 N LEU A 110 4.342 12.583 -6.252 1.00 13.30 N ATOM 1584 CA LEU A 110 5.223 13.648 -5.784 1.00 33.51 C ATOM 1585 C LEU A 110 5.073 14.886 -6.660 1.00 4.43 C ATOM 1586 O LEU A 110 4.988 15.999 -6.132 1.00 11.33 O ATOM 1587 CB LEU A 110 6.683 13.172 -5.776 1.00 12.04 C ATOM 1588 CG LEU A 110 6.942 11.951 -4.884 1.00 31.34 C ATOM 1589 CD1 LEU A 110 8.411 11.554 -4.975 1.00 12.01 C ATOM 1590 CD2 LEU A 110 6.549 12.218 -3.433 1.00 52.32 C ATOM 0 H LEU A 110 4.829 11.754 -6.592 1.00 13.30 H new ATOM 0 HA LEU A 110 4.938 13.908 -4.765 1.00 33.51 H new ATOM 0 HB2 LEU A 110 6.981 12.932 -6.797 1.00 12.04 H new ATOM 0 HB3 LEU A 110 7.319 13.992 -5.443 1.00 12.04 H new ATOM 0 HG LEU A 110 6.321 11.130 -5.241 1.00 31.34 H new ATOM 0 HD11 LEU A 110 8.593 10.686 -4.341 1.00 12.01 H new ATOM 0 HD12 LEU A 110 8.658 11.307 -6.008 1.00 12.01 H new ATOM 0 HD13 LEU A 110 9.034 12.384 -4.642 1.00 12.01 H new ATOM 0 HD21 LEU A 110 6.747 11.330 -2.833 1.00 52.32 H new ATOM 0 HD22 LEU A 110 7.131 13.055 -3.046 1.00 52.32 H new ATOM 0 HD23 LEU A 110 5.488 12.460 -3.382 1.00 52.32 H new ATOM 1601 N ALA A 111 4.998 14.685 -7.975 1.00 53.04 N ATOM 1602 CA ALA A 111 4.764 15.727 -8.963 1.00 11.31 C ATOM 1603 C ALA A 111 3.392 16.380 -8.748 1.00 35.44 C ATOM 1604 O ALA A 111 3.301 17.592 -8.523 1.00 75.42 O ATOM 1605 CB ALA A 111 4.910 15.125 -10.368 1.00 23.15 C ATOM 0 H ALA A 111 5.103 13.760 -8.392 1.00 53.04 H new ATOM 0 HA ALA A 111 5.504 16.519 -8.852 1.00 11.31 H new ATOM 0 HB1 ALA A 111 4.736 15.899 -11.115 1.00 23.15 H new ATOM 0 HB2 ALA A 111 5.916 14.723 -10.489 1.00 23.15 H new ATOM 0 HB3 ALA A 111 4.182 14.325 -10.498 1.00 23.15 H new ATOM 1611 N ARG A 112 2.317 15.577 -8.770 1.00 51.00 N ATOM 1612 CA ARG A 112 0.931 16.039 -8.633 1.00 61.51 C ATOM 1613 C ARG A 112 0.757 16.851 -7.353 1.00 11.41 C ATOM 1614 O ARG A 112 0.067 17.867 -7.390 1.00 60.12 O ATOM 1615 CB ARG A 112 -0.049 14.847 -8.642 1.00 24.15 C ATOM 1616 CG ARG A 112 -0.106 14.013 -9.940 1.00 14.01 C ATOM 1617 CD ARG A 112 -1.266 14.343 -10.891 1.00 60.21 C ATOM 1618 NE ARG A 112 -0.899 15.344 -11.907 1.00 2.14 N ATOM 1619 CZ ARG A 112 -1.588 15.610 -13.026 1.00 61.50 C ATOM 1620 NH1 ARG A 112 -2.770 15.047 -13.267 1.00 34.35 N ATOM 1621 NH2 ARG A 112 -1.059 16.424 -13.935 1.00 64.53 N ATOM 0 H ARG A 112 2.391 14.566 -8.886 1.00 51.00 H new ATOM 0 HA ARG A 112 0.706 16.679 -9.486 1.00 61.51 H new ATOM 0 HB2 ARG A 112 0.215 14.182 -7.820 1.00 24.15 H new ATOM 0 HB3 ARG A 112 -1.050 15.226 -8.436 1.00 24.15 H new ATOM 0 HG2 ARG A 112 0.832 14.148 -10.479 1.00 14.01 H new ATOM 0 HG3 ARG A 112 -0.169 12.959 -9.671 1.00 14.01 H new ATOM 0 HD2 ARG A 112 -1.594 13.430 -11.388 1.00 60.21 H new ATOM 0 HD3 ARG A 112 -2.112 14.712 -10.311 1.00 60.21 H new ATOM 0 HE ARG A 112 -0.047 15.881 -11.745 1.00 2.14 H new ATOM 0 HH11 ARG A 112 -3.172 14.396 -12.592 1.00 34.35 H new ATOM 0 HH12 ARG A 112 -3.274 15.267 -14.126 1.00 34.35 H new ATOM 0 HH21 ARG A 112 -0.140 16.837 -13.776 1.00 64.53 H new ATOM 0 HH22 ARG A 112 -1.572 16.635 -14.791 1.00 64.53 H new ATOM 1632 N LEU A 113 1.387 16.450 -6.242 1.00 41.33 N ATOM 1633 CA LEU A 113 1.342 17.148 -4.960 1.00 71.34 C ATOM 1634 C LEU A 113 1.774 18.595 -5.149 1.00 31.11 C ATOM 1635 O LEU A 113 1.016 19.512 -4.823 1.00 12.34 O ATOM 1636 CB LEU A 113 2.214 16.394 -3.934 1.00 72.12 C ATOM 1637 CG LEU A 113 2.648 17.149 -2.663 1.00 2.12 C ATOM 1638 CD1 LEU A 113 1.512 17.874 -1.957 1.00 32.12 C ATOM 1639 CD2 LEU A 113 3.242 16.175 -1.631 1.00 40.13 C ATOM 0 H LEU A 113 1.958 15.605 -6.214 1.00 41.33 H new ATOM 0 HA LEU A 113 0.324 17.166 -4.570 1.00 71.34 H new ATOM 0 HB2 LEU A 113 1.669 15.502 -3.624 1.00 72.12 H new ATOM 0 HB3 LEU A 113 3.115 16.055 -4.446 1.00 72.12 H new ATOM 0 HG LEU A 113 3.375 17.881 -3.014 1.00 2.12 H new ATOM 0 HD11 LEU A 113 1.898 18.381 -1.072 1.00 32.12 H new ATOM 0 HD12 LEU A 113 1.073 18.608 -2.633 1.00 32.12 H new ATOM 0 HD13 LEU A 113 0.750 17.154 -1.659 1.00 32.12 H new ATOM 0 HD21 LEU A 113 3.543 16.727 -0.741 1.00 40.13 H new ATOM 0 HD22 LEU A 113 2.493 15.430 -1.361 1.00 40.13 H new ATOM 0 HD23 LEU A 113 4.111 15.677 -2.060 1.00 40.13 H new ATOM 1650 N ARG A 114 2.975 18.817 -5.686 1.00 73.31 N ATOM 1651 CA ARG A 114 3.512 20.171 -5.764 1.00 21.23 C ATOM 1652 C ARG A 114 2.643 21.078 -6.633 1.00 61.12 C ATOM 1653 O ARG A 114 2.373 22.216 -6.245 1.00 51.44 O ATOM 1654 CB ARG A 114 4.955 20.178 -6.262 1.00 21.13 C ATOM 1655 CG ARG A 114 5.906 19.669 -5.172 1.00 20.33 C ATOM 1656 CD ARG A 114 7.364 19.529 -5.629 1.00 51.43 C ATOM 1657 NE ARG A 114 8.117 20.798 -5.681 1.00 4.13 N ATOM 1658 CZ ARG A 114 8.688 21.455 -4.659 1.00 12.32 C ATOM 1659 NH1 ARG A 114 8.531 21.062 -3.392 1.00 23.53 N ATOM 1660 NH2 ARG A 114 9.439 22.520 -4.915 1.00 41.35 N ATOM 0 H ARG A 114 3.582 18.091 -6.066 1.00 73.31 H new ATOM 0 HA ARG A 114 3.502 20.569 -4.749 1.00 21.23 H new ATOM 0 HB2 ARG A 114 5.042 19.551 -7.149 1.00 21.13 H new ATOM 0 HB3 ARG A 114 5.239 21.188 -6.556 1.00 21.13 H new ATOM 0 HG2 ARG A 114 5.866 20.351 -4.323 1.00 20.33 H new ATOM 0 HG3 ARG A 114 5.552 18.700 -4.819 1.00 20.33 H new ATOM 0 HD2 ARG A 114 7.878 18.844 -4.955 1.00 51.43 H new ATOM 0 HD3 ARG A 114 7.378 19.072 -6.619 1.00 51.43 H new ATOM 0 HE ARG A 114 8.215 21.226 -6.602 1.00 4.13 H new ATOM 0 HH11 ARG A 114 7.964 20.241 -3.179 1.00 23.53 H new ATOM 0 HH12 ARG A 114 8.978 21.583 -2.637 1.00 23.53 H new ATOM 0 HH21 ARG A 114 9.575 22.828 -5.878 1.00 41.35 H new ATOM 0 HH22 ARG A 114 9.879 23.030 -4.149 1.00 41.35 H new ATOM 1671 N ALA A 115 2.158 20.578 -7.771 1.00 64.10 N ATOM 1672 CA ALA A 115 1.251 21.332 -8.625 1.00 74.14 C ATOM 1673 C ALA A 115 -0.055 21.638 -7.883 1.00 34.45 C ATOM 1674 O ALA A 115 -0.642 22.708 -8.063 1.00 11.24 O ATOM 1675 CB ALA A 115 0.980 20.534 -9.904 1.00 75.51 C ATOM 0 H ALA A 115 2.383 19.647 -8.121 1.00 64.10 H new ATOM 0 HA ALA A 115 1.711 22.283 -8.892 1.00 74.14 H new ATOM 0 HB1 ALA A 115 0.301 21.095 -10.546 1.00 75.51 H new ATOM 0 HB2 ALA A 115 1.918 20.361 -10.431 1.00 75.51 H new ATOM 0 HB3 ALA A 115 0.527 19.577 -9.646 1.00 75.51 H new ATOM 1681 N ALA A 116 -0.485 20.715 -7.014 1.00 74.24 N ATOM 1682 CA ALA A 116 -1.775 20.770 -6.343 1.00 62.44 C ATOM 1683 C ALA A 116 -1.735 21.644 -5.099 1.00 31.11 C ATOM 1684 O ALA A 116 -2.789 21.977 -4.562 1.00 42.44 O ATOM 1685 CB ALA A 116 -2.262 19.366 -5.969 1.00 73.13 C ATOM 0 H ALA A 116 0.069 19.898 -6.758 1.00 74.24 H new ATOM 0 HA ALA A 116 -2.475 21.216 -7.050 1.00 62.44 H new ATOM 0 HB1 ALA A 116 -3.228 19.437 -5.469 1.00 73.13 H new ATOM 0 HB2 ALA A 116 -2.364 18.764 -6.872 1.00 73.13 H new ATOM 0 HB3 ALA A 116 -1.541 18.897 -5.300 1.00 73.13 H new ATOM 1691 N LYS A 117 -0.544 22.043 -4.649 1.00 41.30 N ATOM 1692 CA LYS A 117 -0.315 22.713 -3.373 1.00 35.32 C ATOM 1693 C LYS A 117 -0.917 21.934 -2.197 1.00 51.35 C ATOM 1694 O LYS A 117 -1.316 22.530 -1.192 1.00 54.11 O ATOM 1695 CB LYS A 117 -0.799 24.173 -3.377 1.00 24.30 C ATOM 1696 CG LYS A 117 -0.328 25.003 -4.579 1.00 51.24 C ATOM 1697 CD LYS A 117 -1.422 25.053 -5.651 1.00 13.22 C ATOM 1698 CE LYS A 117 -0.997 25.904 -6.841 1.00 35.13 C ATOM 1699 NZ LYS A 117 -1.988 25.819 -7.929 1.00 15.13 N ATOM 0 H LYS A 117 0.314 21.903 -5.182 1.00 41.30 H new ATOM 0 HA LYS A 117 0.766 22.735 -3.235 1.00 35.32 H new ATOM 0 HB2 LYS A 117 -1.889 24.180 -3.353 1.00 24.30 H new ATOM 0 HB3 LYS A 117 -0.457 24.657 -2.462 1.00 24.30 H new ATOM 0 HG2 LYS A 117 -0.079 26.014 -4.256 1.00 51.24 H new ATOM 0 HG3 LYS A 117 0.580 24.568 -4.996 1.00 51.24 H new ATOM 0 HD2 LYS A 117 -1.650 24.042 -5.988 1.00 13.22 H new ATOM 0 HD3 LYS A 117 -2.337 25.459 -5.220 1.00 13.22 H new ATOM 0 HE2 LYS A 117 -0.882 26.942 -6.528 1.00 35.13 H new ATOM 0 HE3 LYS A 117 -0.024 25.571 -7.203 1.00 35.13 H new ATOM 0 HZ1 LYS A 117 -1.677 26.407 -8.729 1.00 15.13 H new ATOM 0 HZ2 LYS A 117 -2.078 24.831 -8.240 1.00 15.13 H new ATOM 0 HZ3 LYS A 117 -2.909 26.159 -7.587 1.00 15.13 H new ATOM 1709 N ALA A 118 -1.046 20.614 -2.328 1.00 54.45 N ATOM 1710 CA ALA A 118 -1.649 19.819 -1.276 1.00 63.24 C ATOM 1711 C ALA A 118 -0.668 19.693 -0.095 1.00 53.21 C ATOM 1712 O ALA A 118 0.461 20.186 -0.168 1.00 71.43 O ATOM 1713 CB ALA A 118 -2.124 18.484 -1.859 1.00 63.50 C ATOM 0 H ALA A 118 -0.743 20.084 -3.145 1.00 54.45 H new ATOM 0 HA ALA A 118 -2.537 20.303 -0.870 1.00 63.24 H new ATOM 0 HB1 ALA A 118 -2.578 17.884 -1.071 1.00 63.50 H new ATOM 0 HB2 ALA A 118 -2.859 18.670 -2.642 1.00 63.50 H new ATOM 0 HB3 ALA A 118 -1.273 17.947 -2.279 1.00 63.50 H new ATOM 1719 N SER A 119 -1.096 19.062 1.000 1.00 1.14 N ATOM 1720 CA SER A 119 -0.281 18.962 2.207 1.00 31.24 C ATOM 1721 C SER A 119 1.005 18.160 1.991 1.00 43.24 C ATOM 1722 O SER A 119 1.092 17.301 1.112 1.00 54.25 O ATOM 1723 CB SER A 119 -1.079 18.327 3.345 1.00 23.24 C ATOM 1724 OG SER A 119 -2.277 19.033 3.612 1.00 4.10 O ATOM 0 H SER A 119 -2.008 18.611 1.073 1.00 1.14 H new ATOM 0 HA SER A 119 0.001 19.982 2.468 1.00 31.24 H new ATOM 0 HB2 SER A 119 -1.316 17.294 3.089 1.00 23.24 H new ATOM 0 HB3 SER A 119 -0.466 18.299 4.246 1.00 23.24 H new ATOM 0 HG SER A 119 -2.759 18.595 4.344 1.00 4.10 H new ATOM 1729 N ARG A 120 1.980 18.382 2.874 1.00 12.00 N ATOM 1730 CA ARG A 120 3.210 17.626 2.997 1.00 4.14 C ATOM 1731 C ARG A 120 3.427 17.377 4.491 1.00 62.44 C ATOM 1732 O ARG A 120 4.134 18.130 5.162 1.00 12.04 O ATOM 1733 CB ARG A 120 4.391 18.399 2.367 1.00 42.43 C ATOM 1734 CG ARG A 120 4.126 18.863 0.928 1.00 72.14 C ATOM 1735 CD ARG A 120 5.412 19.177 0.153 1.00 35.30 C ATOM 1736 NE ARG A 120 6.127 20.349 0.689 1.00 60.44 N ATOM 1737 CZ ARG A 120 7.449 20.557 0.641 1.00 51.22 C ATOM 1738 NH1 ARG A 120 8.248 19.723 -0.007 1.00 11.02 N ATOM 1739 NH2 ARG A 120 7.982 21.601 1.253 1.00 4.33 N ATOM 0 H ARG A 120 1.921 19.138 3.556 1.00 12.00 H new ATOM 0 HA ARG A 120 3.147 16.678 2.463 1.00 4.14 H new ATOM 0 HB2 ARG A 120 4.615 19.269 2.984 1.00 42.43 H new ATOM 0 HB3 ARG A 120 5.277 17.764 2.377 1.00 42.43 H new ATOM 0 HG2 ARG A 120 3.570 18.089 0.399 1.00 72.14 H new ATOM 0 HG3 ARG A 120 3.495 19.751 0.949 1.00 72.14 H new ATOM 0 HD2 ARG A 120 6.071 18.309 0.184 1.00 35.30 H new ATOM 0 HD3 ARG A 120 5.166 19.354 -0.894 1.00 35.30 H new ATOM 0 HE ARG A 120 5.562 21.069 1.139 1.00 60.44 H new ATOM 0 HH11 ARG A 120 7.859 18.907 -0.480 1.00 11.02 H new ATOM 0 HH12 ARG A 120 9.253 19.896 -0.034 1.00 11.02 H new ATOM 0 HH21 ARG A 120 7.386 22.252 1.764 1.00 4.33 H new ATOM 0 HH22 ARG A 120 8.989 21.756 1.214 1.00 4.33 H new ATOM 1750 N GLU A 121 2.765 16.364 5.035 1.00 23.23 N ATOM 1751 CA GLU A 121 3.166 15.724 6.283 1.00 51.04 C ATOM 1752 C GLU A 121 4.653 15.331 6.211 1.00 71.33 C ATOM 1753 O GLU A 121 5.204 15.192 5.110 1.00 24.23 O ATOM 1754 CB GLU A 121 2.355 14.434 6.485 1.00 3.10 C ATOM 1755 CG GLU A 121 0.865 14.550 6.820 1.00 73.11 C ATOM 1756 CD GLU A 121 0.469 15.497 7.947 1.00 42.32 C ATOM 1757 OE1 GLU A 121 1.222 15.626 8.933 1.00 55.41 O ATOM 1758 OE2 GLU A 121 -0.679 16.008 7.853 1.00 64.14 O ATOM 0 H GLU A 121 1.926 15.959 4.619 1.00 23.23 H new ATOM 0 HA GLU A 121 2.992 16.421 7.103 1.00 51.04 H new ATOM 0 HB2 GLU A 121 2.445 13.841 5.575 1.00 3.10 H new ATOM 0 HB3 GLU A 121 2.831 13.866 7.284 1.00 3.10 H new ATOM 0 HG2 GLU A 121 0.341 14.864 5.917 1.00 73.11 H new ATOM 0 HG3 GLU A 121 0.498 13.555 7.072 1.00 73.11 H new ATOM 1763 N PRO A 122 5.299 15.068 7.356 1.00 21.23 N ATOM 1764 CA PRO A 122 6.622 14.474 7.373 1.00 21.13 C ATOM 1765 C PRO A 122 6.533 13.026 6.888 1.00 41.42 C ATOM 1766 O PRO A 122 5.460 12.430 6.895 1.00 73.23 O ATOM 1767 CB PRO A 122 7.093 14.570 8.831 1.00 12.21 C ATOM 1768 CG PRO A 122 5.792 14.561 9.634 1.00 61.32 C ATOM 1769 CD PRO A 122 4.748 15.172 8.697 1.00 75.22 C ATOM 0 HA PRO A 122 7.328 14.979 6.713 1.00 21.13 H new ATOM 0 HB2 PRO A 122 7.735 13.732 9.100 1.00 12.21 H new ATOM 0 HB3 PRO A 122 7.666 15.480 9.007 1.00 12.21 H new ATOM 0 HG2 PRO A 122 5.515 13.548 9.927 1.00 61.32 H new ATOM 0 HG3 PRO A 122 5.889 15.143 10.551 1.00 61.32 H new ATOM 0 HD2 PRO A 122 3.799 14.640 8.771 1.00 75.22 H new ATOM 0 HD3 PRO A 122 4.551 16.212 8.958 1.00 75.22 H new ATOM 1774 N LEU A 123 7.663 12.463 6.460 1.00 43.21 N ATOM 1775 CA LEU A 123 7.784 11.090 5.993 1.00 51.15 C ATOM 1776 C LEU A 123 9.221 10.574 5.947 1.00 11.42 C ATOM 1777 O LEU A 123 9.469 9.488 5.437 1.00 64.41 O ATOM 1778 CB LEU A 123 7.041 10.852 4.667 1.00 74.45 C ATOM 1779 CG LEU A 123 7.613 11.423 3.364 1.00 44.13 C ATOM 1780 CD1 LEU A 123 8.069 12.856 3.578 1.00 12.12 C ATOM 1781 CD2 LEU A 123 8.739 10.602 2.740 1.00 62.11 C ATOM 0 H LEU A 123 8.547 12.971 6.430 1.00 43.21 H new ATOM 0 HA LEU A 123 7.285 10.489 6.754 1.00 51.15 H new ATOM 0 HB2 LEU A 123 6.945 9.774 4.536 1.00 74.45 H new ATOM 0 HB3 LEU A 123 6.033 11.250 4.782 1.00 74.45 H new ATOM 0 HG LEU A 123 6.794 11.382 2.646 1.00 44.13 H new ATOM 0 HD11 LEU A 123 8.474 13.252 2.647 1.00 12.12 H new ATOM 0 HD12 LEU A 123 7.221 13.464 3.893 1.00 12.12 H new ATOM 0 HD13 LEU A 123 8.840 12.881 4.348 1.00 12.12 H new ATOM 0 HD21 LEU A 123 9.077 11.086 1.824 1.00 62.11 H new ATOM 0 HD22 LEU A 123 9.570 10.532 3.442 1.00 62.11 H new ATOM 0 HD23 LEU A 123 8.374 9.601 2.509 1.00 62.11 H new ATOM 1792 N ILE A 124 10.192 11.361 6.406 1.00 34.14 N ATOM 1793 CA ILE A 124 11.597 11.115 6.129 1.00 11.52 C ATOM 1794 C ILE A 124 12.042 9.886 6.930 1.00 64.43 C ATOM 1795 O ILE A 124 11.574 9.633 8.041 1.00 12.52 O ATOM 1796 CB ILE A 124 12.439 12.385 6.415 1.00 75.22 C ATOM 1797 CG1 ILE A 124 11.819 13.681 5.830 1.00 52.15 C ATOM 1798 CG2 ILE A 124 13.846 12.236 5.816 1.00 14.13 C ATOM 1799 CD1 ILE A 124 10.933 14.456 6.813 1.00 72.13 C ATOM 0 H ILE A 124 10.022 12.187 6.980 1.00 34.14 H new ATOM 0 HA ILE A 124 11.754 10.895 5.073 1.00 11.52 H new ATOM 0 HB ILE A 124 12.470 12.477 7.501 1.00 75.22 H new ATOM 0 HG12 ILE A 124 12.623 14.334 5.492 1.00 52.15 H new ATOM 0 HG13 ILE A 124 11.227 13.423 4.952 1.00 52.15 H new ATOM 0 HG21 ILE A 124 14.427 13.135 6.024 1.00 14.13 H new ATOM 0 HG22 ILE A 124 14.341 11.373 6.261 1.00 14.13 H new ATOM 0 HG23 ILE A 124 13.769 12.095 4.738 1.00 14.13 H new ATOM 0 HD11 ILE A 124 10.540 15.347 6.324 1.00 72.13 H new ATOM 0 HD12 ILE A 124 10.105 13.823 7.133 1.00 72.13 H new ATOM 0 HD13 ILE A 124 11.523 14.749 7.681 1.00 72.13 H new ATOM 1810 N ASP A 125 12.930 9.085 6.358 1.00 60.14 N ATOM 1811 CA ASP A 125 13.663 7.999 7.019 1.00 43.43 C ATOM 1812 C ASP A 125 14.699 8.574 8.006 1.00 4.10 C ATOM 1813 O ASP A 125 14.827 9.792 8.142 1.00 12.30 O ATOM 1814 CB ASP A 125 14.271 7.133 5.911 1.00 4.24 C ATOM 1815 CG ASP A 125 15.208 6.048 6.420 1.00 51.34 C ATOM 1816 OD1 ASP A 125 14.859 5.292 7.351 1.00 75.25 O ATOM 1817 OD2 ASP A 125 16.368 6.035 5.963 1.00 74.44 O ATOM 0 H ASP A 125 13.175 9.174 5.372 1.00 60.14 H new ATOM 0 HA ASP A 125 13.012 7.373 7.629 1.00 43.43 H new ATOM 0 HB2 ASP A 125 13.465 6.667 5.344 1.00 4.24 H new ATOM 0 HB3 ASP A 125 14.816 7.775 5.220 1.00 4.24 H new ATOM 1821 N MET A 126 15.404 7.722 8.755 1.00 74.02 N ATOM 1822 CA MET A 126 16.481 8.126 9.658 1.00 2.22 C ATOM 1823 C MET A 126 17.650 7.127 9.618 1.00 34.23 C ATOM 1824 O MET A 126 18.431 7.026 10.571 1.00 62.35 O ATOM 1825 CB MET A 126 15.894 8.328 11.063 1.00 44.12 C ATOM 1826 CG MET A 126 16.741 9.287 11.901 1.00 35.34 C ATOM 1827 SD MET A 126 15.868 10.028 13.304 1.00 2.13 S ATOM 1828 CE MET A 126 14.709 11.091 12.416 1.00 34.24 C ATOM 0 H MET A 126 15.238 6.716 8.750 1.00 74.02 H new ATOM 0 HA MET A 126 16.909 9.075 9.334 1.00 2.22 H new ATOM 0 HB2 MET A 126 14.879 8.717 10.980 1.00 44.12 H new ATOM 0 HB3 MET A 126 15.826 7.366 11.570 1.00 44.12 H new ATOM 0 HG2 MET A 126 17.613 8.750 12.274 1.00 35.34 H new ATOM 0 HG3 MET A 126 17.110 10.085 11.256 1.00 35.34 H new ATOM 0 HE1 MET A 126 14.371 11.891 13.075 1.00 34.24 H new ATOM 0 HE2 MET A 126 15.204 11.522 11.546 1.00 34.24 H new ATOM 0 HE3 MET A 126 13.851 10.502 12.091 1.00 34.24 H new ATOM 1836 N ALA A 127 17.741 6.318 8.558 1.00 2.53 N ATOM 1837 CA ALA A 127 18.653 5.195 8.443 1.00 72.03 C ATOM 1838 C ALA A 127 19.105 4.963 6.999 1.00 72.32 C ATOM 1839 O ALA A 127 19.250 3.814 6.558 1.00 55.23 O ATOM 1840 CB ALA A 127 17.953 3.964 9.012 1.00 53.33 C ATOM 0 H ALA A 127 17.157 6.439 7.731 1.00 2.53 H new ATOM 0 HA ALA A 127 19.562 5.407 9.007 1.00 72.03 H new ATOM 0 HB1 ALA A 127 18.616 3.102 8.939 1.00 53.33 H new ATOM 0 HB2 ALA A 127 17.701 4.140 10.058 1.00 53.33 H new ATOM 0 HB3 ALA A 127 17.042 3.770 8.446 1.00 53.33 H new ATOM 1846 N VAL A 128 19.262 6.031 6.220 1.00 4.43 N ATOM 1847 CA VAL A 128 19.863 5.956 4.905 1.00 14.23 C ATOM 1848 C VAL A 128 21.364 5.934 5.132 1.00 0.23 C ATOM 1849 O VAL A 128 21.884 6.514 6.091 1.00 73.34 O ATOM 1850 CB VAL A 128 19.379 7.114 4.006 1.00 13.30 C ATOM 1851 CG1 VAL A 128 19.945 8.489 4.390 1.00 63.23 C ATOM 1852 CG2 VAL A 128 19.693 6.847 2.528 1.00 0.10 C ATOM 0 H VAL A 128 18.973 6.971 6.490 1.00 4.43 H new ATOM 0 HA VAL A 128 19.566 5.058 4.363 1.00 14.23 H new ATOM 0 HB VAL A 128 18.301 7.149 4.165 1.00 13.30 H new ATOM 0 HG11 VAL A 128 19.555 9.246 3.709 1.00 63.23 H new ATOM 0 HG12 VAL A 128 19.649 8.732 5.411 1.00 63.23 H new ATOM 0 HG13 VAL A 128 21.033 8.466 4.323 1.00 63.23 H new ATOM 0 HG21 VAL A 128 19.339 7.682 1.924 1.00 0.10 H new ATOM 0 HG22 VAL A 128 20.770 6.737 2.399 1.00 0.10 H new ATOM 0 HG23 VAL A 128 19.194 5.932 2.210 1.00 0.10 H new ATOM 1862 N LYS A 129 22.068 5.285 4.222 1.00 51.52 N ATOM 1863 CA LYS A 129 23.497 5.418 4.091 1.00 63.22 C ATOM 1864 C LYS A 129 23.823 5.623 2.624 1.00 15.12 C ATOM 1865 O LYS A 129 23.120 5.102 1.752 1.00 64.44 O ATOM 1866 CB LYS A 129 24.240 4.274 4.776 1.00 61.12 C ATOM 1867 CG LYS A 129 23.996 2.870 4.218 1.00 2.23 C ATOM 1868 CD LYS A 129 23.166 1.976 5.140 1.00 14.33 C ATOM 1869 CE LYS A 129 21.697 2.392 5.156 1.00 31.12 C ATOM 1870 NZ LYS A 129 20.807 1.296 5.571 1.00 41.44 N ATOM 0 H LYS A 129 21.652 4.643 3.547 1.00 51.52 H new ATOM 0 HA LYS A 129 23.858 6.298 4.623 1.00 63.22 H new ATOM 0 HB2 LYS A 129 25.309 4.481 4.723 1.00 61.12 H new ATOM 0 HB3 LYS A 129 23.967 4.274 5.831 1.00 61.12 H new ATOM 0 HG2 LYS A 129 23.490 2.954 3.256 1.00 2.23 H new ATOM 0 HG3 LYS A 129 24.957 2.391 4.031 1.00 2.23 H new ATOM 0 HD2 LYS A 129 23.247 0.940 4.812 1.00 14.33 H new ATOM 0 HD3 LYS A 129 23.569 2.023 6.152 1.00 14.33 H new ATOM 0 HE2 LYS A 129 21.569 3.236 5.833 1.00 31.12 H new ATOM 0 HE3 LYS A 129 21.408 2.734 4.162 1.00 31.12 H new ATOM 0 HZ1 LYS A 129 19.970 1.690 6.047 1.00 41.44 H new ATOM 0 HZ2 LYS A 129 20.507 0.756 4.734 1.00 41.44 H new ATOM 0 HZ3 LYS A 129 21.314 0.666 6.226 1.00 41.44 H new ATOM 1880 N TYR A 130 24.862 6.402 2.363 1.00 24.14 N ATOM 1881 CA TYR A 130 25.340 6.665 1.028 1.00 41.51 C ATOM 1882 C TYR A 130 26.719 6.056 0.904 1.00 2.12 C ATOM 1883 O TYR A 130 27.504 6.054 1.857 1.00 74.32 O ATOM 1884 CB TYR A 130 25.314 8.165 0.743 1.00 63.05 C ATOM 1885 CG TYR A 130 23.905 8.672 0.523 1.00 20.31 C ATOM 1886 CD1 TYR A 130 23.293 8.492 -0.732 1.00 21.03 C ATOM 1887 CD2 TYR A 130 23.180 9.253 1.582 1.00 34.12 C ATOM 1888 CE1 TYR A 130 21.953 8.867 -0.927 1.00 71.22 C ATOM 1889 CE2 TYR A 130 21.839 9.630 1.392 1.00 24.41 C ATOM 1890 CZ TYR A 130 21.217 9.422 0.141 1.00 15.53 C ATOM 1891 OH TYR A 130 19.896 9.704 -0.012 1.00 13.52 O ATOM 0 H TYR A 130 25.401 6.873 3.090 1.00 24.14 H new ATOM 0 HA TYR A 130 24.695 6.210 0.276 1.00 41.51 H new ATOM 0 HB2 TYR A 130 25.767 8.701 1.577 1.00 63.05 H new ATOM 0 HB3 TYR A 130 25.918 8.378 -0.139 1.00 63.05 H new ATOM 0 HD1 TYR A 130 23.856 8.064 -1.548 1.00 21.03 H new ATOM 0 HD2 TYR A 130 23.654 9.409 2.540 1.00 34.12 H new ATOM 0 HE1 TYR A 130 21.488 8.731 -1.892 1.00 71.22 H new ATOM 0 HE2 TYR A 130 21.284 10.079 2.203 1.00 24.41 H new ATOM 0 HH TYR A 130 19.543 10.080 0.821 1.00 13.52 H new ATOM 1900 N HIS A 131 26.954 5.476 -0.265 1.00 4.34 N ATOM 1901 CA HIS A 131 28.158 4.797 -0.677 1.00 53.22 C ATOM 1902 C HIS A 131 27.984 4.450 -2.152 1.00 34.02 C ATOM 1903 O HIS A 131 26.865 4.460 -2.683 1.00 62.31 O ATOM 1904 CB HIS A 131 28.401 3.535 0.169 1.00 54.32 C ATOM 1905 CG HIS A 131 27.171 2.716 0.481 1.00 44.52 C ATOM 1906 ND1 HIS A 131 26.589 1.772 -0.332 1.00 75.04 N ATOM 1907 CD2 HIS A 131 26.438 2.774 1.635 1.00 14.20 C ATOM 1908 CE1 HIS A 131 25.535 1.260 0.323 1.00 53.44 C ATOM 1909 NE2 HIS A 131 25.421 1.817 1.539 1.00 41.23 N ATOM 0 H HIS A 131 26.248 5.472 -1.001 1.00 4.34 H new ATOM 0 HA HIS A 131 29.031 5.434 -0.532 1.00 53.22 H new ATOM 0 HB2 HIS A 131 29.116 2.900 -0.354 1.00 54.32 H new ATOM 0 HB3 HIS A 131 28.866 3.832 1.109 1.00 54.32 H new ATOM 0 HD1 HIS A 131 26.902 1.508 -1.266 1.00 75.04 H new ATOM 0 HD2 HIS A 131 26.613 3.438 2.469 1.00 14.20 H new ATOM 0 HE1 HIS A 131 24.872 0.505 -0.073 1.00 53.44 H new ATOM 1916 N THR A 132 29.096 4.113 -2.791 1.00 0.54 N ATOM 1917 CA THR A 132 29.202 3.639 -4.153 1.00 72.35 C ATOM 1918 C THR A 132 30.248 2.526 -4.140 1.00 21.04 C ATOM 1919 O THR A 132 30.294 1.752 -5.118 1.00 61.02 O ATOM 1920 CB THR A 132 29.523 4.806 -5.098 1.00 13.22 C ATOM 1921 OG1 THR A 132 30.601 5.590 -4.618 1.00 42.51 O ATOM 1922 CG2 THR A 132 28.330 5.753 -5.299 1.00 44.13 C ATOM 0 H THR A 132 30.007 4.170 -2.335 1.00 0.54 H new ATOM 0 HA THR A 132 28.267 3.230 -4.535 1.00 72.35 H new ATOM 0 HB THR A 132 29.782 4.334 -6.046 1.00 13.22 H new ATOM 0 HG1 THR A 132 30.778 6.322 -5.245 1.00 42.51 H new ATOM 0 HG21 THR A 132 28.615 6.558 -5.976 1.00 44.13 H new ATOM 0 HG22 THR A 132 27.494 5.199 -5.726 1.00 44.13 H new ATOM 0 HG23 THR A 132 28.034 6.174 -4.338 1.00 44.13 H new TER 1930 THR A 132