USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 954 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 73 TYR OH : rot -16:sc= 1.13 USER MOD Set 1.2: A 107 SER OG : rot -43:sc= 0.993 USER MOD Set 2.1: A 66 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 108 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-7.3!) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= -0.0195 USER MOD Set 3.2: A 72 ASN : amide:sc= -0.501 X(o=-0.52,f=-0.077) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.95 X(o=-0.95,f=-0.94) USER MOD Single : A 23 THR OG1 : rot -130:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 37 SER OG : rot 130:sc= 1.03 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -108:sc= -0.028 USER MOD Single : A 51 ASN : amide:sc= 0.063 X(o=0.063,f=-0.05) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 5:sc= 0.511 USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.000988 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.741 K(o=-0.74,f=-2.3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.0157 (180deg=-0.209) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.011 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 153:sc= -0.0097 (180deg=-0.293) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.56 F(o=-3.9,f=-1.6) USER MOD Single : A 100 TYR OH : rot 120:sc= -3.55! USER MOD Single : A 101 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.29) USER MOD Single : A 102 THR OG1 : rot -38:sc= 0.128 USER MOD Single : A 103 HIS : no HD1:sc=-8.89e-05 X(o=-8.9e-05,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 110 SER OG : rot -60:sc= 0.214 USER MOD Single : A 115 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.4) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 176:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.518 10.431 -7.440 1.00 0.00 N ATOM 2 CA GLY A 1 -16.625 9.618 -7.910 1.00 0.00 C ATOM 3 C GLY A 1 -17.973 10.217 -7.563 1.00 0.00 C ATOM 4 O GLY A 1 -18.225 11.392 -7.830 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.619 9.978 -7.702 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.571 11.374 -7.875 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.570 10.524 -6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.551 9.499 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.551 8.622 -7.474 1.00 0.00 H new ATOM 8 N SER A 2 -18.843 9.407 -6.968 1.00 0.00 N ATOM 9 CA SER A 2 -20.176 9.863 -6.590 1.00 0.00 C ATOM 10 C SER A 2 -20.917 10.435 -7.795 1.00 0.00 C ATOM 11 O SER A 2 -21.533 11.497 -7.711 1.00 0.00 O ATOM 12 CB SER A 2 -20.083 10.918 -5.486 1.00 0.00 C ATOM 13 OG SER A 2 -19.576 10.359 -4.287 1.00 0.00 O ATOM 0 H SER A 2 -18.649 8.433 -6.737 1.00 0.00 H new ATOM 0 HA SER A 2 -20.734 9.005 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.438 11.734 -5.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.069 11.345 -5.303 1.00 0.00 H new ATOM 0 HG SER A 2 -19.525 11.054 -3.598 1.00 0.00 H new ATOM 19 N SER A 3 -20.852 9.722 -8.915 1.00 0.00 N ATOM 20 CA SER A 3 -21.513 10.159 -10.139 1.00 0.00 C ATOM 21 C SER A 3 -22.880 9.498 -10.283 1.00 0.00 C ATOM 22 O SER A 3 -23.223 8.584 -9.535 1.00 0.00 O ATOM 23 CB SER A 3 -20.645 9.834 -11.356 1.00 0.00 C ATOM 24 OG SER A 3 -19.681 10.847 -11.580 1.00 0.00 O ATOM 0 H SER A 3 -20.348 8.839 -9.000 1.00 0.00 H new ATOM 0 HA SER A 3 -21.655 11.238 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.144 8.878 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.276 9.727 -12.238 1.00 0.00 H new ATOM 0 HG SER A 3 -19.138 10.615 -12.362 1.00 0.00 H new ATOM 30 N GLY A 4 -23.659 9.969 -11.253 1.00 0.00 N ATOM 31 CA GLY A 4 -24.980 9.413 -11.480 1.00 0.00 C ATOM 32 C GLY A 4 -24.952 8.204 -12.394 1.00 0.00 C ATOM 33 O GLY A 4 -25.740 8.110 -13.334 1.00 0.00 O ATOM 0 H GLY A 4 -23.398 10.726 -11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.421 9.131 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.623 10.178 -11.915 1.00 0.00 H new ATOM 37 N SER A 5 -24.039 7.277 -12.119 1.00 0.00 N ATOM 38 CA SER A 5 -23.908 6.071 -12.927 1.00 0.00 C ATOM 39 C SER A 5 -23.935 4.823 -12.050 1.00 0.00 C ATOM 40 O SER A 5 -23.744 4.900 -10.836 1.00 0.00 O ATOM 41 CB SER A 5 -22.609 6.112 -13.735 1.00 0.00 C ATOM 42 OG SER A 5 -22.702 7.038 -14.803 1.00 0.00 O ATOM 0 H SER A 5 -23.380 7.339 -11.343 1.00 0.00 H new ATOM 0 HA SER A 5 -24.754 6.030 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.780 6.386 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.390 5.119 -14.128 1.00 0.00 H new ATOM 0 HG SER A 5 -21.859 7.047 -15.303 1.00 0.00 H new ATOM 48 N SER A 6 -24.174 3.674 -12.673 1.00 0.00 N ATOM 49 CA SER A 6 -24.231 2.409 -11.949 1.00 0.00 C ATOM 50 C SER A 6 -23.433 1.331 -12.677 1.00 0.00 C ATOM 51 O SER A 6 -23.681 1.042 -13.847 1.00 0.00 O ATOM 52 CB SER A 6 -25.683 1.958 -11.781 1.00 0.00 C ATOM 53 OG SER A 6 -25.794 0.959 -10.783 1.00 0.00 O ATOM 0 H SER A 6 -24.331 3.592 -13.677 1.00 0.00 H new ATOM 0 HA SER A 6 -23.789 2.562 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.304 2.813 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.060 1.573 -12.729 1.00 0.00 H new ATOM 0 HG SER A 6 -26.732 0.689 -10.693 1.00 0.00 H new ATOM 59 N GLY A 7 -22.473 0.739 -11.974 1.00 0.00 N ATOM 60 CA GLY A 7 -21.652 -0.301 -12.567 1.00 0.00 C ATOM 61 C GLY A 7 -20.417 0.254 -13.248 1.00 0.00 C ATOM 62 O GLY A 7 -20.314 0.233 -14.474 1.00 0.00 O ATOM 0 H GLY A 7 -22.249 0.961 -11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.350 -1.007 -11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.244 -0.858 -13.293 1.00 0.00 H new ATOM 66 N GLU A 8 -19.477 0.752 -12.451 1.00 0.00 N ATOM 67 CA GLU A 8 -18.244 1.318 -12.985 1.00 0.00 C ATOM 68 C GLU A 8 -17.506 0.297 -13.847 1.00 0.00 C ATOM 69 O GLU A 8 -17.784 -0.901 -13.784 1.00 0.00 O ATOM 70 CB GLU A 8 -17.337 1.789 -11.846 1.00 0.00 C ATOM 71 CG GLU A 8 -17.934 2.916 -11.020 1.00 0.00 C ATOM 72 CD GLU A 8 -18.824 2.411 -9.902 1.00 0.00 C ATOM 73 OE1 GLU A 8 -18.295 2.104 -8.813 1.00 0.00 O ATOM 74 OE2 GLU A 8 -20.052 2.323 -10.115 1.00 0.00 O ATOM 0 H GLU A 8 -19.546 0.775 -11.434 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.507 2.173 -13.608 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.122 0.945 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.386 2.120 -12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.129 3.516 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.512 3.572 -11.671 1.00 0.00 H new ATOM 81 N ASP A 9 -16.567 0.780 -14.652 1.00 0.00 N ATOM 82 CA ASP A 9 -15.789 -0.089 -15.528 1.00 0.00 C ATOM 83 C ASP A 9 -14.359 0.425 -15.672 1.00 0.00 C ATOM 84 O ASP A 9 -14.124 1.474 -16.272 1.00 0.00 O ATOM 85 CB ASP A 9 -16.450 -0.188 -16.903 1.00 0.00 C ATOM 86 CG ASP A 9 -15.745 -1.171 -17.816 1.00 0.00 C ATOM 87 OD1 ASP A 9 -16.107 -2.366 -17.794 1.00 0.00 O ATOM 88 OD2 ASP A 9 -14.830 -0.746 -18.552 1.00 0.00 O ATOM 0 H ASP A 9 -16.326 1.769 -14.717 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.756 -1.081 -15.078 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.490 -0.491 -16.782 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.457 0.796 -17.371 1.00 0.00 H new ATOM 93 N TYR A 10 -13.410 -0.321 -15.119 1.00 0.00 N ATOM 94 CA TYR A 10 -12.004 0.061 -15.183 1.00 0.00 C ATOM 95 C TYR A 10 -11.155 -1.078 -15.741 1.00 0.00 C ATOM 96 O TYR A 10 -10.478 -1.783 -14.995 1.00 0.00 O ATOM 97 CB TYR A 10 -11.497 0.457 -13.796 1.00 0.00 C ATOM 98 CG TYR A 10 -11.978 1.817 -13.341 1.00 0.00 C ATOM 99 CD1 TYR A 10 -13.232 1.976 -12.766 1.00 0.00 C ATOM 100 CD2 TYR A 10 -11.177 2.943 -13.486 1.00 0.00 C ATOM 101 CE1 TYR A 10 -13.676 3.216 -12.350 1.00 0.00 C ATOM 102 CE2 TYR A 10 -11.611 4.187 -13.072 1.00 0.00 C ATOM 103 CZ TYR A 10 -12.862 4.319 -12.505 1.00 0.00 C ATOM 104 OH TYR A 10 -13.299 5.556 -12.090 1.00 0.00 O ATOM 0 H TYR A 10 -13.588 -1.193 -14.621 1.00 0.00 H new ATOM 0 HA TYR A 10 -11.917 0.917 -15.852 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.818 -0.293 -13.073 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -10.407 0.449 -13.801 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -13.872 1.115 -12.642 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.198 2.844 -13.930 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -14.655 3.321 -11.906 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.975 5.052 -13.191 1.00 0.00 H new ATOM 0 HH TYR A 10 -12.606 6.225 -12.270 1.00 0.00 H new ATOM 114 N GLU A 11 -11.198 -1.249 -17.058 1.00 0.00 N ATOM 115 CA GLU A 11 -10.433 -2.301 -17.717 1.00 0.00 C ATOM 116 C GLU A 11 -9.143 -1.745 -18.312 1.00 0.00 C ATOM 117 O GLU A 11 -9.026 -0.545 -18.559 1.00 0.00 O ATOM 118 CB GLU A 11 -11.271 -2.961 -18.814 1.00 0.00 C ATOM 119 CG GLU A 11 -11.773 -1.987 -19.866 1.00 0.00 C ATOM 120 CD GLU A 11 -12.291 -2.685 -21.108 1.00 0.00 C ATOM 121 OE1 GLU A 11 -11.731 -3.741 -21.471 1.00 0.00 O ATOM 122 OE2 GLU A 11 -13.254 -2.176 -21.718 1.00 0.00 O ATOM 0 H GLU A 11 -11.754 -0.673 -17.690 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.174 -3.049 -16.968 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.674 -3.732 -19.301 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.125 -3.460 -18.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.568 -1.375 -19.439 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.965 -1.311 -20.144 1.00 0.00 H new ATOM 129 N LYS A 12 -8.176 -2.627 -18.540 1.00 0.00 N ATOM 130 CA LYS A 12 -6.893 -2.227 -19.107 1.00 0.00 C ATOM 131 C LYS A 12 -6.374 -0.959 -18.437 1.00 0.00 C ATOM 132 O LYS A 12 -5.684 -0.153 -19.061 1.00 0.00 O ATOM 133 CB LYS A 12 -7.027 -2.002 -20.615 1.00 0.00 C ATOM 134 CG LYS A 12 -7.418 -3.252 -21.385 1.00 0.00 C ATOM 135 CD LYS A 12 -6.854 -3.237 -22.796 1.00 0.00 C ATOM 136 CE LYS A 12 -5.420 -3.741 -22.828 1.00 0.00 C ATOM 137 NZ LYS A 12 -5.356 -5.227 -22.909 1.00 0.00 N ATOM 0 H LYS A 12 -8.256 -3.624 -18.341 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.178 -3.030 -18.928 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.773 -1.228 -20.793 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.080 -1.628 -21.003 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.056 -4.134 -20.857 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.504 -3.329 -21.427 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.474 -3.858 -23.443 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.893 -2.223 -23.194 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.902 -3.308 -23.684 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.896 -3.403 -21.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.362 -5.531 -22.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.828 -5.641 -22.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.833 -5.548 -23.775 1.00 0.00 H new ATOM 151 N VAL A 13 -6.708 -0.790 -17.162 1.00 0.00 N ATOM 152 CA VAL A 13 -6.273 0.379 -16.406 1.00 0.00 C ATOM 153 C VAL A 13 -4.979 0.095 -15.652 1.00 0.00 C ATOM 154 O VAL A 13 -4.701 -1.035 -15.250 1.00 0.00 O ATOM 155 CB VAL A 13 -7.351 0.831 -15.403 1.00 0.00 C ATOM 156 CG1 VAL A 13 -8.646 1.168 -16.126 1.00 0.00 C ATOM 157 CG2 VAL A 13 -7.581 -0.241 -14.349 1.00 0.00 C ATOM 0 H VAL A 13 -7.278 -1.448 -16.630 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.101 1.178 -17.128 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.000 1.732 -14.900 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.396 1.485 -15.401 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.466 1.973 -16.838 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.006 0.287 -16.658 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.346 0.095 -13.649 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.910 -1.161 -14.832 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.652 -0.427 -13.810 1.00 0.00 H new ATOM 167 N PRO A 14 -4.167 1.144 -15.455 1.00 0.00 N ATOM 168 CA PRO A 14 -2.889 1.033 -14.746 1.00 0.00 C ATOM 169 C PRO A 14 -3.073 0.770 -13.256 1.00 0.00 C ATOM 170 O PRO A 14 -2.495 -0.168 -12.704 1.00 0.00 O ATOM 171 CB PRO A 14 -2.239 2.401 -14.972 1.00 0.00 C ATOM 172 CG PRO A 14 -3.380 3.329 -15.205 1.00 0.00 C ATOM 173 CD PRO A 14 -4.435 2.520 -15.907 1.00 0.00 C ATOM 0 HA PRO A 14 -2.292 0.196 -15.110 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.650 2.707 -14.107 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.563 2.382 -15.827 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.757 3.728 -14.263 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.073 4.180 -15.812 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.439 2.845 -15.633 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.356 2.610 -16.990 1.00 0.00 H new ATOM 181 N LEU A 15 -3.880 1.603 -12.608 1.00 0.00 N ATOM 182 CA LEU A 15 -4.141 1.460 -11.180 1.00 0.00 C ATOM 183 C LEU A 15 -5.640 1.406 -10.903 1.00 0.00 C ATOM 184 O LEU A 15 -6.328 2.427 -10.872 1.00 0.00 O ATOM 185 CB LEU A 15 -3.509 2.619 -10.407 1.00 0.00 C ATOM 186 CG LEU A 15 -2.108 2.369 -9.850 1.00 0.00 C ATOM 187 CD1 LEU A 15 -2.120 1.198 -8.880 1.00 0.00 C ATOM 188 CD2 LEU A 15 -1.121 2.117 -10.981 1.00 0.00 C ATOM 0 H LEU A 15 -4.365 2.385 -13.049 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.695 0.523 -10.846 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.467 3.488 -11.064 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.167 2.878 -9.578 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.789 3.260 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.114 1.035 -8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.795 1.418 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.460 0.301 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.129 1.941 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.436 1.243 -11.551 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.090 2.986 -11.638 1.00 0.00 H new ATOM 200 N PRO A 16 -6.160 0.188 -10.693 1.00 0.00 N ATOM 201 CA PRO A 16 -7.582 -0.028 -10.412 1.00 0.00 C ATOM 202 C PRO A 16 -7.986 0.488 -9.035 1.00 0.00 C ATOM 203 O PRO A 16 -7.145 0.650 -8.152 1.00 0.00 O ATOM 204 CB PRO A 16 -7.730 -1.551 -10.477 1.00 0.00 C ATOM 205 CG PRO A 16 -6.372 -2.076 -10.159 1.00 0.00 C ATOM 206 CD PRO A 16 -5.399 -1.073 -10.715 1.00 0.00 C ATOM 0 HA PRO A 16 -8.222 0.506 -11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.470 -1.908 -9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.059 -1.875 -11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.241 -2.192 -9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.219 -3.058 -10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.497 -1.009 -10.107 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.085 -1.335 -11.725 1.00 0.00 H new ATOM 214 N ASN A 17 -9.278 0.744 -8.859 1.00 0.00 N ATOM 215 CA ASN A 17 -9.793 1.242 -7.589 1.00 0.00 C ATOM 216 C ASN A 17 -9.895 0.116 -6.565 1.00 0.00 C ATOM 217 O ASN A 17 -10.221 0.349 -5.401 1.00 0.00 O ATOM 218 CB ASN A 17 -11.164 1.890 -7.790 1.00 0.00 C ATOM 219 CG ASN A 17 -11.406 3.039 -6.830 1.00 0.00 C ATOM 220 OD1 ASN A 17 -11.802 2.832 -5.683 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.169 4.260 -7.298 1.00 0.00 N ATOM 0 H ASN A 17 -9.988 0.615 -9.580 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.097 1.991 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.245 2.253 -8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.942 1.138 -7.656 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.315 5.073 -6.699 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.841 4.384 -8.256 1.00 0.00 H new ATOM 228 N SER A 18 -9.614 -1.106 -7.006 1.00 0.00 N ATOM 229 CA SER A 18 -9.678 -2.269 -6.129 1.00 0.00 C ATOM 230 C SER A 18 -8.554 -2.234 -5.097 1.00 0.00 C ATOM 231 O SER A 18 -8.756 -2.571 -3.931 1.00 0.00 O ATOM 232 CB SER A 18 -9.592 -3.558 -6.949 1.00 0.00 C ATOM 233 OG SER A 18 -10.618 -3.611 -7.925 1.00 0.00 O ATOM 0 H SER A 18 -9.340 -1.316 -7.966 1.00 0.00 H new ATOM 0 HA SER A 18 -10.632 -2.244 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.619 -3.618 -7.436 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.671 -4.420 -6.287 1.00 0.00 H new ATOM 0 HG SER A 18 -10.540 -4.443 -8.437 1.00 0.00 H new ATOM 239 N VAL A 19 -7.369 -1.822 -5.536 1.00 0.00 N ATOM 240 CA VAL A 19 -6.213 -1.740 -4.653 1.00 0.00 C ATOM 241 C VAL A 19 -6.412 -0.672 -3.584 1.00 0.00 C ATOM 242 O VAL A 19 -6.172 -0.910 -2.400 1.00 0.00 O ATOM 243 CB VAL A 19 -4.925 -1.429 -5.439 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.764 -2.396 -6.603 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.936 0.011 -5.929 1.00 0.00 C ATOM 0 H VAL A 19 -7.185 -1.540 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.112 -2.714 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.072 -1.555 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.849 -2.161 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.709 -3.416 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.618 -2.304 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.019 0.214 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.795 0.167 -6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.001 0.685 -5.075 1.00 0.00 H new ATOM 255 N PHE A 20 -6.853 0.508 -4.009 1.00 0.00 N ATOM 256 CA PHE A 20 -7.085 1.614 -3.088 1.00 0.00 C ATOM 257 C PHE A 20 -8.216 1.286 -2.117 1.00 0.00 C ATOM 258 O PHE A 20 -9.382 1.220 -2.505 1.00 0.00 O ATOM 259 CB PHE A 20 -7.417 2.890 -3.864 1.00 0.00 C ATOM 260 CG PHE A 20 -6.400 3.237 -4.912 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.443 2.641 -6.162 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.399 4.158 -4.648 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.508 2.958 -7.130 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.461 4.479 -5.611 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.515 3.877 -6.853 1.00 0.00 C ATOM 0 H PHE A 20 -7.057 0.722 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.172 1.773 -2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.391 2.773 -4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.502 3.720 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.216 1.920 -6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.351 4.631 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.554 2.488 -8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.687 5.200 -5.393 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.782 4.125 -7.606 1.00 0.00 H new ATOM 275 N VAL A 21 -7.861 1.081 -0.852 1.00 0.00 N ATOM 276 CA VAL A 21 -8.845 0.761 0.175 1.00 0.00 C ATOM 277 C VAL A 21 -9.029 1.925 1.142 1.00 0.00 C ATOM 278 O VAL A 21 -8.094 2.680 1.405 1.00 0.00 O ATOM 279 CB VAL A 21 -8.438 -0.494 0.970 1.00 0.00 C ATOM 280 CG1 VAL A 21 -7.027 -0.343 1.519 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.430 -0.759 2.092 1.00 0.00 C ATOM 0 H VAL A 21 -6.900 1.131 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.787 0.567 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.451 -1.350 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.756 -1.239 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.328 -0.205 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.984 0.523 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.127 -1.649 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.452 0.096 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.423 -0.914 1.670 1.00 0.00 H new ATOM 291 N ASN A 22 -10.241 2.063 1.669 1.00 0.00 N ATOM 292 CA ASN A 22 -10.548 3.136 2.608 1.00 0.00 C ATOM 293 C ASN A 22 -10.146 2.748 4.028 1.00 0.00 C ATOM 294 O ASN A 22 -10.722 3.231 5.003 1.00 0.00 O ATOM 295 CB ASN A 22 -12.040 3.470 2.563 1.00 0.00 C ATOM 296 CG ASN A 22 -12.409 4.600 3.505 1.00 0.00 C ATOM 297 OD1 ASN A 22 -13.263 4.441 4.377 1.00 0.00 O ATOM 298 ND2 ASN A 22 -11.765 5.748 3.332 1.00 0.00 N ATOM 0 H ASN A 22 -11.026 1.446 1.462 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.976 4.016 2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.317 3.744 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.616 2.582 2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.971 6.544 3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.064 5.834 2.596 1.00 0.00 H new ATOM 305 N THR A 23 -9.152 1.872 4.137 1.00 0.00 N ATOM 306 CA THR A 23 -8.672 1.418 5.436 1.00 0.00 C ATOM 307 C THR A 23 -7.308 2.018 5.759 1.00 0.00 C ATOM 308 O THR A 23 -6.413 2.045 4.912 1.00 0.00 O ATOM 309 CB THR A 23 -8.571 -0.118 5.493 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.609 -0.561 6.853 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.288 -0.601 4.832 1.00 0.00 C ATOM 0 H THR A 23 -8.664 1.463 3.341 1.00 0.00 H new ATOM 0 HA THR A 23 -9.398 1.754 6.176 1.00 0.00 H new ATOM 0 HB THR A 23 -9.419 -0.536 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.866 -1.179 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.239 -1.689 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.276 -0.287 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.429 -0.174 5.349 1.00 0.00 H new ATOM 319 N THR A 24 -7.154 2.499 6.988 1.00 0.00 N ATOM 320 CA THR A 24 -5.898 3.099 7.423 1.00 0.00 C ATOM 321 C THR A 24 -5.155 2.181 8.387 1.00 0.00 C ATOM 322 O THR A 24 -4.445 2.647 9.277 1.00 0.00 O ATOM 323 CB THR A 24 -6.133 4.460 8.104 1.00 0.00 C ATOM 324 OG1 THR A 24 -6.958 4.293 9.262 1.00 0.00 O ATOM 325 CG2 THR A 24 -6.790 5.440 7.144 1.00 0.00 C ATOM 0 H THR A 24 -7.884 2.485 7.701 1.00 0.00 H new ATOM 0 HA THR A 24 -5.292 3.248 6.529 1.00 0.00 H new ATOM 0 HB THR A 24 -5.165 4.863 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.101 5.163 9.690 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.946 6.394 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.145 5.588 6.278 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.750 5.041 6.818 1.00 0.00 H new ATOM 333 N GLU A 25 -5.324 0.876 8.204 1.00 0.00 N ATOM 334 CA GLU A 25 -4.668 -0.106 9.060 1.00 0.00 C ATOM 335 C GLU A 25 -4.076 -1.241 8.230 1.00 0.00 C ATOM 336 O GLU A 25 -4.342 -1.355 7.033 1.00 0.00 O ATOM 337 CB GLU A 25 -5.660 -0.669 10.080 1.00 0.00 C ATOM 338 CG GLU A 25 -6.415 0.401 10.849 1.00 0.00 C ATOM 339 CD GLU A 25 -5.713 0.803 12.132 1.00 0.00 C ATOM 340 OE1 GLU A 25 -5.102 -0.076 12.775 1.00 0.00 O ATOM 341 OE2 GLU A 25 -5.775 1.997 12.493 1.00 0.00 O ATOM 0 H GLU A 25 -5.909 0.474 7.472 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.858 0.395 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.377 -1.307 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.122 -1.301 10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.538 1.280 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.415 0.036 11.085 1.00 0.00 H new ATOM 348 N SER A 26 -3.270 -2.079 8.874 1.00 0.00 N ATOM 349 CA SER A 26 -2.635 -3.204 8.196 1.00 0.00 C ATOM 350 C SER A 26 -3.366 -4.507 8.505 1.00 0.00 C ATOM 351 O SER A 26 -3.693 -5.277 7.601 1.00 0.00 O ATOM 352 CB SER A 26 -1.168 -3.316 8.614 1.00 0.00 C ATOM 353 OG SER A 26 -0.447 -4.153 7.726 1.00 0.00 O ATOM 0 H SER A 26 -3.041 -2.000 9.865 1.00 0.00 H new ATOM 0 HA SER A 26 -2.686 -3.026 7.122 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.715 -2.325 8.633 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.105 -3.714 9.627 1.00 0.00 H new ATOM 0 HG SER A 26 0.488 -4.207 8.014 1.00 0.00 H new ATOM 359 N CYS A 27 -3.618 -4.747 9.787 1.00 0.00 N ATOM 360 CA CYS A 27 -4.309 -5.957 10.217 1.00 0.00 C ATOM 361 C CYS A 27 -5.482 -6.270 9.294 1.00 0.00 C ATOM 362 O CYS A 27 -5.714 -7.425 8.940 1.00 0.00 O ATOM 363 CB CYS A 27 -4.802 -5.804 11.656 1.00 0.00 C ATOM 364 SG CYS A 27 -3.596 -6.303 12.907 1.00 0.00 S ATOM 0 H CYS A 27 -3.354 -4.120 10.547 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.602 -6.786 10.170 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.076 -4.763 11.826 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.708 -6.397 11.783 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.105 -6.135 14.092 1.00 0.00 H new ATOM 370 N GLU A 28 -6.220 -5.233 8.911 1.00 0.00 N ATOM 371 CA GLU A 28 -7.371 -5.398 8.032 1.00 0.00 C ATOM 372 C GLU A 28 -6.934 -5.846 6.640 1.00 0.00 C ATOM 373 O GLU A 28 -7.343 -6.903 6.158 1.00 0.00 O ATOM 374 CB GLU A 28 -8.159 -4.090 7.934 1.00 0.00 C ATOM 375 CG GLU A 28 -9.320 -4.150 6.956 1.00 0.00 C ATOM 376 CD GLU A 28 -10.535 -4.849 7.535 1.00 0.00 C ATOM 377 OE1 GLU A 28 -11.219 -4.240 8.384 1.00 0.00 O ATOM 378 OE2 GLU A 28 -10.801 -6.003 7.139 1.00 0.00 O ATOM 0 H GLU A 28 -6.041 -4.270 9.196 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.012 -6.169 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.540 -3.831 8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.483 -3.290 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.594 -3.137 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.002 -4.670 6.052 1.00 0.00 H new ATOM 385 N VAL A 29 -6.098 -5.035 5.999 1.00 0.00 N ATOM 386 CA VAL A 29 -5.604 -5.348 4.664 1.00 0.00 C ATOM 387 C VAL A 29 -5.158 -6.802 4.569 1.00 0.00 C ATOM 388 O VAL A 29 -5.506 -7.507 3.622 1.00 0.00 O ATOM 389 CB VAL A 29 -4.426 -4.435 4.274 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.816 -4.884 2.955 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.879 -2.985 4.195 1.00 0.00 C ATOM 0 H VAL A 29 -5.749 -4.157 6.383 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.430 -5.179 3.973 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.660 -4.511 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.986 -4.227 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.453 -5.907 3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.572 -4.840 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.034 -2.354 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.664 -2.889 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.264 -2.671 5.165 1.00 0.00 H new ATOM 401 N GLU A 30 -4.387 -7.245 5.557 1.00 0.00 N ATOM 402 CA GLU A 30 -3.894 -8.617 5.584 1.00 0.00 C ATOM 403 C GLU A 30 -5.047 -9.612 5.493 1.00 0.00 C ATOM 404 O GLU A 30 -4.992 -10.576 4.729 1.00 0.00 O ATOM 405 CB GLU A 30 -3.089 -8.868 6.861 1.00 0.00 C ATOM 406 CG GLU A 30 -2.375 -10.210 6.876 1.00 0.00 C ATOM 407 CD GLU A 30 -1.122 -10.194 7.730 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.226 -10.473 8.942 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.037 -9.902 7.184 1.00 0.00 O ATOM 0 H GLU A 30 -4.090 -6.674 6.349 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.245 -8.760 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.353 -8.073 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.758 -8.812 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.055 -10.975 7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.111 -10.489 5.856 1.00 0.00 H new ATOM 416 N ARG A 31 -6.092 -9.371 6.279 1.00 0.00 N ATOM 417 CA ARG A 31 -7.258 -10.246 6.289 1.00 0.00 C ATOM 418 C ARG A 31 -7.953 -10.241 4.931 1.00 0.00 C ATOM 419 O ARG A 31 -8.341 -11.291 4.416 1.00 0.00 O ATOM 420 CB ARG A 31 -8.240 -9.810 7.378 1.00 0.00 C ATOM 421 CG ARG A 31 -9.025 -10.960 7.987 1.00 0.00 C ATOM 422 CD ARG A 31 -8.124 -11.892 8.781 1.00 0.00 C ATOM 423 NE ARG A 31 -7.591 -12.973 7.956 1.00 0.00 N ATOM 424 CZ ARG A 31 -8.242 -14.106 7.720 1.00 0.00 C ATOM 425 NH1 ARG A 31 -9.444 -14.306 8.244 1.00 0.00 N ATOM 426 NH2 ARG A 31 -7.691 -15.043 6.959 1.00 0.00 N ATOM 0 H ARG A 31 -6.155 -8.577 6.917 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.918 -11.260 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.690 -9.299 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.939 -9.087 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.805 -10.565 8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.523 -11.521 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.299 -11.322 9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.685 -12.315 9.615 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.668 -12.851 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.871 -13.588 8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.942 -15.177 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.767 -14.893 6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.192 -15.913 6.778 1.00 0.00 H new ATOM 440 N LEU A 32 -8.109 -9.054 4.356 1.00 0.00 N ATOM 441 CA LEU A 32 -8.758 -8.911 3.057 1.00 0.00 C ATOM 442 C LEU A 32 -8.027 -9.722 1.992 1.00 0.00 C ATOM 443 O LEU A 32 -8.640 -10.499 1.260 1.00 0.00 O ATOM 444 CB LEU A 32 -8.808 -7.438 2.649 1.00 0.00 C ATOM 445 CG LEU A 32 -9.413 -6.478 3.674 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.258 -5.037 3.212 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.879 -6.808 3.913 1.00 0.00 C ATOM 0 H LEU A 32 -7.795 -8.176 4.769 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.776 -9.292 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.793 -7.108 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.379 -7.357 1.724 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.876 -6.596 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.694 -4.368 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.200 -4.805 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.769 -4.904 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.293 -6.115 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.429 -6.718 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.966 -7.827 4.289 1.00 0.00 H new ATOM 459 N PHE A 33 -6.714 -9.536 1.911 1.00 0.00 N ATOM 460 CA PHE A 33 -5.899 -10.250 0.936 1.00 0.00 C ATOM 461 C PHE A 33 -6.275 -11.728 0.891 1.00 0.00 C ATOM 462 O PHE A 33 -6.716 -12.238 -0.139 1.00 0.00 O ATOM 463 CB PHE A 33 -4.414 -10.100 1.273 1.00 0.00 C ATOM 464 CG PHE A 33 -3.819 -8.806 0.797 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.627 -7.712 0.535 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.451 -8.684 0.613 1.00 0.00 C ATOM 467 CE1 PHE A 33 -4.082 -6.520 0.096 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.900 -7.494 0.175 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.717 -6.411 -0.083 1.00 0.00 C ATOM 0 H PHE A 33 -6.191 -8.896 2.509 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.087 -9.815 -0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.285 -10.174 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.863 -10.929 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.695 -7.791 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.808 -9.528 0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.723 -5.675 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.832 -7.412 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.289 -5.480 -0.424 1.00 0.00 H new ATOM 479 N LYS A 34 -6.097 -12.412 2.017 1.00 0.00 N ATOM 480 CA LYS A 34 -6.418 -13.832 2.109 1.00 0.00 C ATOM 481 C LYS A 34 -7.868 -14.089 1.712 1.00 0.00 C ATOM 482 O LYS A 34 -8.221 -15.190 1.291 1.00 0.00 O ATOM 483 CB LYS A 34 -6.169 -14.341 3.530 1.00 0.00 C ATOM 484 CG LYS A 34 -4.722 -14.219 3.975 1.00 0.00 C ATOM 485 CD LYS A 34 -4.611 -14.097 5.485 1.00 0.00 C ATOM 486 CE LYS A 34 -3.201 -13.717 5.912 1.00 0.00 C ATOM 487 NZ LYS A 34 -3.035 -13.771 7.391 1.00 0.00 N ATOM 0 H LYS A 34 -5.732 -12.006 2.879 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.770 -14.371 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.801 -13.785 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.472 -15.386 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.162 -15.091 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.268 -13.347 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.315 -13.346 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.890 -15.043 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.485 -14.391 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.973 -12.712 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.061 -13.505 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.700 -13.109 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.228 -14.736 7.727 1.00 0.00 H new ATOM 501 N ALA A 35 -8.705 -13.065 1.849 1.00 0.00 N ATOM 502 CA ALA A 35 -10.116 -13.179 1.501 1.00 0.00 C ATOM 503 C ALA A 35 -10.301 -13.300 -0.008 1.00 0.00 C ATOM 504 O ALA A 35 -10.961 -14.221 -0.491 1.00 0.00 O ATOM 505 CB ALA A 35 -10.890 -11.984 2.036 1.00 0.00 C ATOM 0 H ALA A 35 -8.430 -12.147 2.199 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.506 -14.086 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.942 -12.083 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.794 -11.944 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.490 -11.068 1.602 1.00 0.00 H new ATOM 511 N THR A 36 -9.717 -12.364 -0.748 1.00 0.00 N ATOM 512 CA THR A 36 -9.819 -12.364 -2.202 1.00 0.00 C ATOM 513 C THR A 36 -9.479 -13.734 -2.777 1.00 0.00 C ATOM 514 O THR A 36 -10.072 -14.169 -3.764 1.00 0.00 O ATOM 515 CB THR A 36 -8.889 -11.310 -2.831 1.00 0.00 C ATOM 516 OG1 THR A 36 -7.529 -11.753 -2.762 1.00 0.00 O ATOM 517 CG2 THR A 36 -9.029 -9.972 -2.121 1.00 0.00 C ATOM 0 H THR A 36 -9.168 -11.595 -0.364 1.00 0.00 H new ATOM 0 HA THR A 36 -10.852 -12.117 -2.446 1.00 0.00 H new ATOM 0 HB THR A 36 -9.176 -11.181 -3.875 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.283 -11.910 -1.826 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.363 -9.244 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.059 -9.624 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.766 -10.089 -1.070 1.00 0.00 H new ATOM 525 N SER A 37 -8.520 -14.411 -2.152 1.00 0.00 N ATOM 526 CA SER A 37 -8.098 -15.732 -2.604 1.00 0.00 C ATOM 527 C SER A 37 -9.204 -16.760 -2.386 1.00 0.00 C ATOM 528 O SER A 37 -9.851 -16.800 -1.339 1.00 0.00 O ATOM 529 CB SER A 37 -6.830 -16.166 -1.866 1.00 0.00 C ATOM 530 OG SER A 37 -6.499 -17.510 -2.167 1.00 0.00 O ATOM 0 H SER A 37 -8.021 -14.067 -1.332 1.00 0.00 H new ATOM 0 HA SER A 37 -7.886 -15.673 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.002 -15.513 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.975 -16.056 -0.791 1.00 0.00 H new ATOM 0 HG SER A 37 -5.556 -17.564 -2.428 1.00 0.00 H new ATOM 536 N PRO A 38 -9.427 -17.612 -3.398 1.00 0.00 N ATOM 537 CA PRO A 38 -10.454 -18.656 -3.341 1.00 0.00 C ATOM 538 C PRO A 38 -10.099 -19.765 -2.356 1.00 0.00 C ATOM 539 O PRO A 38 -10.972 -20.309 -1.679 1.00 0.00 O ATOM 540 CB PRO A 38 -10.485 -19.201 -4.771 1.00 0.00 C ATOM 541 CG PRO A 38 -9.130 -18.908 -5.317 1.00 0.00 C ATOM 542 CD PRO A 38 -8.693 -17.621 -4.674 1.00 0.00 C ATOM 0 HA PRO A 38 -11.412 -18.267 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.694 -20.271 -4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.263 -18.718 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.434 -19.715 -5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.159 -18.812 -6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.615 -17.596 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.946 -16.758 -5.290 1.00 0.00 H new ATOM 550 N ARG A 39 -8.814 -20.095 -2.281 1.00 0.00 N ATOM 551 CA ARG A 39 -8.345 -21.140 -1.379 1.00 0.00 C ATOM 552 C ARG A 39 -8.007 -20.562 -0.007 1.00 0.00 C ATOM 553 O ARG A 39 -7.639 -21.293 0.911 1.00 0.00 O ATOM 554 CB ARG A 39 -7.117 -21.837 -1.967 1.00 0.00 C ATOM 555 CG ARG A 39 -6.286 -20.945 -2.875 1.00 0.00 C ATOM 556 CD ARG A 39 -4.984 -21.619 -3.277 1.00 0.00 C ATOM 557 NE ARG A 39 -5.204 -22.731 -4.198 1.00 0.00 N ATOM 558 CZ ARG A 39 -5.328 -22.584 -5.512 1.00 0.00 C ATOM 559 NH1 ARG A 39 -5.252 -21.378 -6.058 1.00 0.00 N ATOM 560 NH2 ARG A 39 -5.527 -23.646 -6.283 1.00 0.00 N ATOM 0 H ARG A 39 -8.079 -19.654 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.146 -21.869 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.489 -22.197 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.441 -22.712 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.860 -20.697 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.069 -20.006 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.326 -20.886 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.474 -21.983 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.266 -23.673 -3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.098 -20.560 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.348 -21.268 -7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.585 -24.575 -5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.622 -23.533 -7.292 1.00 0.00 H new ATOM 574 N GLY A 40 -8.134 -19.245 0.122 1.00 0.00 N ATOM 575 CA GLY A 40 -7.838 -18.592 1.384 1.00 0.00 C ATOM 576 C GLY A 40 -6.395 -18.138 1.477 1.00 0.00 C ATOM 577 O GLY A 40 -6.020 -17.428 2.410 1.00 0.00 O ATOM 0 H GLY A 40 -8.436 -18.619 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.495 -17.731 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.054 -19.277 2.204 1.00 0.00 H new ATOM 581 N GLU A 41 -5.583 -18.548 0.507 1.00 0.00 N ATOM 582 CA GLU A 41 -4.172 -18.180 0.486 1.00 0.00 C ATOM 583 C GLU A 41 -3.874 -17.237 -0.676 1.00 0.00 C ATOM 584 O GLU A 41 -4.072 -17.569 -1.845 1.00 0.00 O ATOM 585 CB GLU A 41 -3.297 -19.431 0.380 1.00 0.00 C ATOM 586 CG GLU A 41 -3.379 -20.118 -0.972 1.00 0.00 C ATOM 587 CD GLU A 41 -2.690 -21.469 -0.983 1.00 0.00 C ATOM 588 OE1 GLU A 41 -3.178 -22.389 -0.295 1.00 0.00 O ATOM 589 OE2 GLU A 41 -1.663 -21.604 -1.680 1.00 0.00 O ATOM 0 H GLU A 41 -5.878 -19.134 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.943 -17.664 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.261 -19.157 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.592 -20.138 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.426 -20.246 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.926 -19.477 -1.729 1.00 0.00 H new ATOM 596 N PRO A 42 -3.385 -16.031 -0.349 1.00 0.00 N ATOM 597 CA PRO A 42 -3.049 -15.015 -1.350 1.00 0.00 C ATOM 598 C PRO A 42 -1.823 -15.396 -2.174 1.00 0.00 C ATOM 599 O PRO A 42 -0.976 -16.166 -1.721 1.00 0.00 O ATOM 600 CB PRO A 42 -2.761 -13.769 -0.508 1.00 0.00 C ATOM 601 CG PRO A 42 -2.344 -14.298 0.821 1.00 0.00 C ATOM 602 CD PRO A 42 -3.124 -15.568 1.024 1.00 0.00 C ATOM 0 HA PRO A 42 -3.849 -14.879 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.975 -13.161 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.644 -13.136 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.271 -14.491 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.557 -13.579 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.555 -16.302 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.050 -15.388 1.570 1.00 0.00 H new ATOM 610 N GLN A 43 -1.737 -14.853 -3.383 1.00 0.00 N ATOM 611 CA GLN A 43 -0.614 -15.137 -4.269 1.00 0.00 C ATOM 612 C GLN A 43 0.543 -14.180 -4.006 1.00 0.00 C ATOM 613 O GLN A 43 0.333 -13.008 -3.692 1.00 0.00 O ATOM 614 CB GLN A 43 -1.053 -15.036 -5.731 1.00 0.00 C ATOM 615 CG GLN A 43 -1.555 -16.350 -6.308 1.00 0.00 C ATOM 616 CD GLN A 43 -2.236 -16.175 -7.651 1.00 0.00 C ATOM 617 OE1 GLN A 43 -1.702 -16.573 -8.687 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.422 -15.578 -7.641 1.00 0.00 N ATOM 0 H GLN A 43 -2.431 -14.214 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.273 -16.153 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.841 -14.288 -5.814 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.214 -14.683 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.717 -17.038 -6.417 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.254 -16.807 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.827 -15.264 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.928 -15.434 -8.515 1.00 0.00 H new ATOM 627 N ASP A 44 1.765 -14.686 -4.136 1.00 0.00 N ATOM 628 CA ASP A 44 2.956 -13.876 -3.913 1.00 0.00 C ATOM 629 C ASP A 44 2.943 -12.634 -4.800 1.00 0.00 C ATOM 630 O ASP A 44 2.733 -12.725 -6.008 1.00 0.00 O ATOM 631 CB ASP A 44 4.217 -14.698 -4.184 1.00 0.00 C ATOM 632 CG ASP A 44 5.486 -13.893 -3.989 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.570 -13.148 -2.990 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.397 -14.009 -4.835 1.00 0.00 O ATOM 0 H ASP A 44 1.956 -15.654 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 44 2.957 -13.556 -2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.233 -15.563 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.186 -15.080 -5.204 1.00 0.00 H new ATOM 639 N GLY A 45 3.169 -11.475 -4.189 1.00 0.00 N ATOM 640 CA GLY A 45 3.177 -10.232 -4.939 1.00 0.00 C ATOM 641 C GLY A 45 1.948 -9.385 -4.672 1.00 0.00 C ATOM 642 O GLY A 45 1.917 -8.200 -5.006 1.00 0.00 O ATOM 0 H GLY A 45 3.346 -11.374 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.070 -9.662 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.237 -10.455 -6.004 1.00 0.00 H new ATOM 646 N LEU A 46 0.933 -9.994 -4.070 1.00 0.00 N ATOM 647 CA LEU A 46 -0.306 -9.289 -3.760 1.00 0.00 C ATOM 648 C LEU A 46 -0.017 -7.942 -3.105 1.00 0.00 C ATOM 649 O LEU A 46 0.346 -7.876 -1.931 1.00 0.00 O ATOM 650 CB LEU A 46 -1.183 -10.139 -2.838 1.00 0.00 C ATOM 651 CG LEU A 46 -2.689 -9.895 -2.932 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.165 -10.043 -4.369 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.442 -10.851 -2.018 1.00 0.00 C ATOM 0 H LEU A 46 0.943 -10.974 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.837 -9.111 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.991 -11.190 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.870 -9.963 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.894 -8.875 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.239 -9.866 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.650 -9.318 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.948 -11.051 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.513 -10.663 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.231 -11.879 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.122 -10.697 -0.987 1.00 0.00 H new ATOM 665 N TYR A 47 -0.182 -6.870 -3.872 1.00 0.00 N ATOM 666 CA TYR A 47 0.061 -5.524 -3.368 1.00 0.00 C ATOM 667 C TYR A 47 -1.214 -4.688 -3.408 1.00 0.00 C ATOM 668 O TYR A 47 -2.182 -5.043 -4.083 1.00 0.00 O ATOM 669 CB TYR A 47 1.158 -4.840 -4.186 1.00 0.00 C ATOM 670 CG TYR A 47 0.772 -4.589 -5.626 1.00 0.00 C ATOM 671 CD1 TYR A 47 0.941 -5.571 -6.593 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.236 -3.368 -6.019 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.590 -5.345 -7.910 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.119 -3.134 -7.333 1.00 0.00 C ATOM 675 CZ TYR A 47 0.060 -4.125 -8.275 1.00 0.00 C ATOM 676 OH TYR A 47 -0.292 -3.897 -9.586 1.00 0.00 O ATOM 0 H TYR A 47 -0.483 -6.907 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 47 0.388 -5.606 -2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.411 -3.890 -3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.056 -5.457 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.354 -6.528 -6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.095 -2.589 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.730 -6.119 -8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.535 -2.180 -7.621 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.651 -2.989 -9.675 1.00 0.00 H new ATOM 686 N CYS A 48 -1.208 -3.576 -2.681 1.00 0.00 N ATOM 687 CA CYS A 48 -2.364 -2.688 -2.632 1.00 0.00 C ATOM 688 C CYS A 48 -1.963 -1.299 -2.145 1.00 0.00 C ATOM 689 O CYS A 48 -0.781 -1.020 -1.940 1.00 0.00 O ATOM 690 CB CYS A 48 -3.443 -3.270 -1.718 1.00 0.00 C ATOM 691 SG CYS A 48 -3.188 -2.924 0.038 1.00 0.00 S ATOM 0 H CYS A 48 -0.416 -3.268 -2.118 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.764 -2.598 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.412 -2.872 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.483 -4.350 -1.863 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.821 -4.013 0.646 1.00 0.00 H new ATOM 697 N ILE A 49 -2.953 -0.433 -1.963 1.00 0.00 N ATOM 698 CA ILE A 49 -2.703 0.927 -1.500 1.00 0.00 C ATOM 699 C ILE A 49 -3.725 1.347 -0.449 1.00 0.00 C ATOM 700 O ILE A 49 -4.903 1.533 -0.754 1.00 0.00 O ATOM 701 CB ILE A 49 -2.738 1.933 -2.665 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.638 1.612 -3.679 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.585 3.354 -2.142 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.882 2.211 -5.046 1.00 0.00 C ATOM 0 H ILE A 49 -3.936 -0.648 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.707 0.931 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.703 1.852 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.685 1.977 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.549 0.530 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.612 4.054 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.400 3.578 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.633 3.449 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.062 1.942 -5.713 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.819 1.827 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.941 3.296 -4.962 1.00 0.00 H new ATOM 716 N ARG A 50 -3.266 1.495 0.789 1.00 0.00 N ATOM 717 CA ARG A 50 -4.140 1.894 1.885 1.00 0.00 C ATOM 718 C ARG A 50 -3.806 3.305 2.362 1.00 0.00 C ATOM 719 O ARG A 50 -2.741 3.838 2.053 1.00 0.00 O ATOM 720 CB ARG A 50 -4.016 0.909 3.049 1.00 0.00 C ATOM 721 CG ARG A 50 -2.614 0.825 3.629 1.00 0.00 C ATOM 722 CD ARG A 50 -2.603 0.078 4.954 1.00 0.00 C ATOM 723 NE ARG A 50 -1.252 -0.068 5.489 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.626 0.884 6.172 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.225 2.044 6.402 1.00 0.00 N ATOM 726 NH2 ARG A 50 0.604 0.676 6.627 1.00 0.00 N ATOM 0 H ARG A 50 -2.294 1.345 1.058 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.166 1.886 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.709 1.202 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.320 -0.081 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.956 0.322 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.218 1.830 3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.223 0.610 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.047 -0.908 4.818 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.763 -0.949 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.170 2.208 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.741 2.773 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.069 -0.215 6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.084 1.407 7.151 1.00 0.00 H new ATOM 740 N ASN A 51 -4.724 3.903 3.114 1.00 0.00 N ATOM 741 CA ASN A 51 -4.527 5.252 3.632 1.00 0.00 C ATOM 742 C ASN A 51 -3.596 5.240 4.840 1.00 0.00 C ATOM 743 O ASN A 51 -3.570 4.278 5.608 1.00 0.00 O ATOM 744 CB ASN A 51 -5.871 5.874 4.016 1.00 0.00 C ATOM 745 CG ASN A 51 -6.619 6.420 2.815 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.728 7.633 2.635 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.141 5.523 1.986 1.00 0.00 N ATOM 0 H ASN A 51 -5.611 3.475 3.378 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.067 5.852 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.486 5.125 4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.705 6.678 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.657 5.830 1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.026 4.527 2.174 1.00 0.00 H new ATOM 754 N SER A 52 -2.833 6.316 5.003 1.00 0.00 N ATOM 755 CA SER A 52 -1.897 6.429 6.116 1.00 0.00 C ATOM 756 C SER A 52 -2.448 7.354 7.197 1.00 0.00 C ATOM 757 O SER A 52 -1.917 8.440 7.430 1.00 0.00 O ATOM 758 CB SER A 52 -0.546 6.950 5.624 1.00 0.00 C ATOM 759 OG SER A 52 0.493 6.603 6.523 1.00 0.00 O ATOM 0 H SER A 52 -2.844 7.122 4.378 1.00 0.00 H new ATOM 0 HA SER A 52 -1.761 5.436 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.331 6.538 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.589 8.034 5.514 1.00 0.00 H new ATOM 0 HG SER A 52 1.346 6.946 6.185 1.00 0.00 H new ATOM 765 N SER A 53 -3.517 6.915 7.854 1.00 0.00 N ATOM 766 CA SER A 53 -4.144 7.704 8.908 1.00 0.00 C ATOM 767 C SER A 53 -4.208 9.178 8.518 1.00 0.00 C ATOM 768 O SER A 53 -3.982 10.062 9.345 1.00 0.00 O ATOM 769 CB SER A 53 -3.373 7.546 10.220 1.00 0.00 C ATOM 770 OG SER A 53 -2.037 8.000 10.085 1.00 0.00 O ATOM 0 H SER A 53 -3.967 6.017 7.675 1.00 0.00 H new ATOM 0 HA SER A 53 -5.161 7.337 9.046 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.873 8.108 11.009 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.376 6.499 10.523 1.00 0.00 H new ATOM 0 HG SER A 53 -1.914 8.394 9.196 1.00 0.00 H new ATOM 776 N THR A 54 -4.519 9.435 7.251 1.00 0.00 N ATOM 777 CA THR A 54 -4.613 10.800 6.750 1.00 0.00 C ATOM 778 C THR A 54 -5.122 10.824 5.313 1.00 0.00 C ATOM 779 O THR A 54 -5.060 9.820 4.604 1.00 0.00 O ATOM 780 CB THR A 54 -3.250 11.516 6.811 1.00 0.00 C ATOM 781 OG1 THR A 54 -3.425 12.921 6.592 1.00 0.00 O ATOM 782 CG2 THR A 54 -2.295 10.951 5.772 1.00 0.00 C ATOM 0 H THR A 54 -4.710 8.715 6.554 1.00 0.00 H new ATOM 0 HA THR A 54 -5.320 11.325 7.393 1.00 0.00 H new ATOM 0 HB THR A 54 -2.823 11.353 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.555 13.370 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.340 11.472 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.141 9.888 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.718 11.087 4.777 1.00 0.00 H new ATOM 790 N LYS A 55 -5.626 11.978 4.888 1.00 0.00 N ATOM 791 CA LYS A 55 -6.145 12.135 3.535 1.00 0.00 C ATOM 792 C LYS A 55 -5.008 12.296 2.531 1.00 0.00 C ATOM 793 O LYS A 55 -5.023 11.693 1.458 1.00 0.00 O ATOM 794 CB LYS A 55 -7.080 13.344 3.461 1.00 0.00 C ATOM 795 CG LYS A 55 -7.666 13.577 2.080 1.00 0.00 C ATOM 796 CD LYS A 55 -8.400 14.905 2.002 1.00 0.00 C ATOM 797 CE LYS A 55 -9.330 14.958 0.800 1.00 0.00 C ATOM 798 NZ LYS A 55 -8.597 15.285 -0.455 1.00 0.00 N ATOM 0 H LYS A 55 -5.686 12.819 5.462 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.705 11.235 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.894 13.207 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.533 14.235 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.868 13.557 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.352 12.766 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.975 15.058 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.677 15.718 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.833 13.997 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.105 15.705 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.266 15.312 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.138 16.213 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.874 14.559 -0.634 1.00 0.00 H new ATOM 812 N SER A 56 -4.022 13.114 2.888 1.00 0.00 N ATOM 813 CA SER A 56 -2.878 13.356 2.017 1.00 0.00 C ATOM 814 C SER A 56 -1.717 12.434 2.376 1.00 0.00 C ATOM 815 O SER A 56 -0.825 12.806 3.137 1.00 0.00 O ATOM 816 CB SER A 56 -2.433 14.817 2.119 1.00 0.00 C ATOM 817 OG SER A 56 -3.517 15.698 1.881 1.00 0.00 O ATOM 0 H SER A 56 -3.993 13.620 3.773 1.00 0.00 H new ATOM 0 HA SER A 56 -3.183 13.146 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.018 15.006 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.639 15.010 1.398 1.00 0.00 H new ATOM 0 HG SER A 56 -3.207 16.625 1.954 1.00 0.00 H new ATOM 823 N GLY A 57 -1.736 11.225 1.820 1.00 0.00 N ATOM 824 CA GLY A 57 -0.681 10.267 2.093 1.00 0.00 C ATOM 825 C GLY A 57 -1.151 8.832 1.953 1.00 0.00 C ATOM 826 O GLY A 57 -2.253 8.487 2.380 1.00 0.00 O ATOM 0 H GLY A 57 -2.463 10.893 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.150 10.442 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.303 10.425 3.103 1.00 0.00 H new ATOM 830 N LYS A 58 -0.314 7.993 1.353 1.00 0.00 N ATOM 831 CA LYS A 58 -0.648 6.588 1.157 1.00 0.00 C ATOM 832 C LYS A 58 0.539 5.693 1.500 1.00 0.00 C ATOM 833 O LYS A 58 1.679 6.153 1.559 1.00 0.00 O ATOM 834 CB LYS A 58 -1.084 6.343 -0.290 1.00 0.00 C ATOM 835 CG LYS A 58 -2.364 7.067 -0.670 1.00 0.00 C ATOM 836 CD LYS A 58 -3.595 6.256 -0.301 1.00 0.00 C ATOM 837 CE LYS A 58 -4.811 6.690 -1.105 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.394 7.958 -0.587 1.00 0.00 N ATOM 0 H LYS A 58 0.602 8.262 0.994 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.472 6.340 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.285 6.660 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.223 5.273 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.400 8.033 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.366 7.266 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.401 5.198 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.802 6.370 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.528 6.820 -2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.566 5.904 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.220 8.220 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.687 7.827 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.682 8.714 -0.639 1.00 0.00 H new ATOM 852 N VAL A 59 0.263 4.412 1.722 1.00 0.00 N ATOM 853 CA VAL A 59 1.309 3.452 2.056 1.00 0.00 C ATOM 854 C VAL A 59 1.165 2.175 1.237 1.00 0.00 C ATOM 855 O VAL A 59 0.181 1.446 1.370 1.00 0.00 O ATOM 856 CB VAL A 59 1.284 3.094 3.554 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.383 2.094 3.882 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.421 4.348 4.404 1.00 0.00 C ATOM 0 H VAL A 59 -0.675 4.015 1.677 1.00 0.00 H new ATOM 0 HA VAL A 59 2.261 3.926 1.819 1.00 0.00 H new ATOM 0 HB VAL A 59 0.324 2.631 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.350 1.853 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.234 1.185 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.353 2.527 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.401 4.076 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.365 4.842 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.595 5.026 4.188 1.00 0.00 H new ATOM 868 N LEU A 60 2.152 1.908 0.389 1.00 0.00 N ATOM 869 CA LEU A 60 2.136 0.717 -0.454 1.00 0.00 C ATOM 870 C LEU A 60 2.358 -0.541 0.379 1.00 0.00 C ATOM 871 O LEU A 60 3.421 -0.728 0.971 1.00 0.00 O ATOM 872 CB LEU A 60 3.210 0.821 -1.538 1.00 0.00 C ATOM 873 CG LEU A 60 3.622 -0.493 -2.203 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.485 -1.042 -3.050 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.871 -0.294 -3.049 1.00 0.00 C ATOM 0 H LEU A 60 2.974 2.500 0.267 1.00 0.00 H new ATOM 0 HA LEU A 60 1.157 0.649 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.852 1.500 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.098 1.277 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 60 3.848 -1.218 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.797 -1.977 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.615 -1.223 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.227 -0.320 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.150 -1.239 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.672 0.447 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.688 0.053 -2.416 1.00 0.00 H new ATOM 887 N VAL A 61 1.348 -1.405 0.418 1.00 0.00 N ATOM 888 CA VAL A 61 1.433 -2.648 1.175 1.00 0.00 C ATOM 889 C VAL A 61 1.514 -3.853 0.244 1.00 0.00 C ATOM 890 O VAL A 61 0.606 -4.101 -0.549 1.00 0.00 O ATOM 891 CB VAL A 61 0.224 -2.818 2.113 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.157 -4.241 2.647 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.290 -1.814 3.254 1.00 0.00 C ATOM 0 H VAL A 61 0.461 -1.266 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 61 2.342 -2.593 1.774 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.685 -2.627 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.704 -4.341 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.059 -4.938 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.068 -4.465 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.572 -1.948 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.205 -1.971 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.284 -0.802 2.849 1.00 0.00 H new ATOM 903 N VAL A 62 2.608 -4.601 0.348 1.00 0.00 N ATOM 904 CA VAL A 62 2.808 -5.782 -0.483 1.00 0.00 C ATOM 905 C VAL A 62 2.739 -7.058 0.349 1.00 0.00 C ATOM 906 O VAL A 62 3.060 -7.053 1.538 1.00 0.00 O ATOM 907 CB VAL A 62 4.163 -5.732 -1.214 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.229 -6.804 -2.291 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.396 -4.351 -1.809 1.00 0.00 C ATOM 0 H VAL A 62 3.369 -4.410 1.000 1.00 0.00 H new ATOM 0 HA VAL A 62 2.006 -5.789 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 62 4.954 -5.929 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.193 -6.753 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.110 -7.786 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.431 -6.642 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.358 -4.333 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.602 -4.122 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.396 -3.607 -1.013 1.00 0.00 H new ATOM 919 N TRP A 63 2.318 -8.147 -0.282 1.00 0.00 N ATOM 920 CA TRP A 63 2.207 -9.432 0.400 1.00 0.00 C ATOM 921 C TRP A 63 3.467 -10.266 0.198 1.00 0.00 C ATOM 922 O TRP A 63 3.838 -10.582 -0.932 1.00 0.00 O ATOM 923 CB TRP A 63 0.985 -10.199 -0.107 1.00 0.00 C ATOM 924 CG TRP A 63 0.931 -11.616 0.376 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.138 -12.744 -0.367 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.649 -12.057 1.708 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.002 -13.859 0.424 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.703 -13.465 1.701 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.359 -11.400 2.907 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.476 -14.224 2.846 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.134 -12.155 4.042 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.194 -13.555 4.006 1.00 0.00 C ATOM 0 H TRP A 63 2.048 -8.167 -1.265 1.00 0.00 H new ATOM 0 HA TRP A 63 2.088 -9.240 1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.081 -9.680 0.211 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.988 -10.194 -1.197 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.374 -12.757 -1.421 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.107 -14.824 0.111 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.312 -10.322 2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.521 -15.303 2.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.092 -11.658 4.974 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.014 -14.116 4.911 1.00 0.00 H new ATOM 943 N ASP A 64 4.120 -10.620 1.299 1.00 0.00 N ATOM 944 CA ASP A 64 5.338 -11.420 1.242 1.00 0.00 C ATOM 945 C ASP A 64 5.023 -12.903 1.407 1.00 0.00 C ATOM 946 O ASP A 64 4.916 -13.404 2.526 1.00 0.00 O ATOM 947 CB ASP A 64 6.320 -10.971 2.326 1.00 0.00 C ATOM 948 CG ASP A 64 6.213 -9.489 2.626 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.881 -8.718 1.701 1.00 0.00 O ATOM 950 OD2 ASP A 64 6.459 -9.100 3.787 1.00 0.00 O ATOM 0 H ASP A 64 3.826 -10.366 2.242 1.00 0.00 H new ATOM 0 HA ASP A 64 5.795 -11.271 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.134 -11.538 3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.337 -11.202 2.009 1.00 0.00 H new ATOM 955 N GLU A 65 4.874 -13.600 0.284 1.00 0.00 N ATOM 956 CA GLU A 65 4.568 -15.025 0.305 1.00 0.00 C ATOM 957 C GLU A 65 5.694 -15.813 0.969 1.00 0.00 C ATOM 958 O GLU A 65 5.461 -16.856 1.582 1.00 0.00 O ATOM 959 CB GLU A 65 4.339 -15.542 -1.117 1.00 0.00 C ATOM 960 CG GLU A 65 4.331 -17.058 -1.220 1.00 0.00 C ATOM 961 CD GLU A 65 5.722 -17.656 -1.125 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.693 -16.962 -1.492 1.00 0.00 O ATOM 963 OE2 GLU A 65 5.838 -18.818 -0.682 1.00 0.00 O ATOM 0 H GLU A 65 4.960 -13.201 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 65 3.657 -15.166 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.389 -15.156 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.118 -15.146 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.708 -17.469 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.877 -17.352 -2.166 1.00 0.00 H new ATOM 970 N THR A 66 6.917 -15.307 0.843 1.00 0.00 N ATOM 971 CA THR A 66 8.080 -15.963 1.427 1.00 0.00 C ATOM 972 C THR A 66 8.051 -15.878 2.949 1.00 0.00 C ATOM 973 O THR A 66 8.515 -16.785 3.640 1.00 0.00 O ATOM 974 CB THR A 66 9.392 -15.342 0.914 1.00 0.00 C ATOM 975 OG1 THR A 66 9.489 -13.978 1.342 1.00 0.00 O ATOM 976 CG2 THR A 66 9.466 -15.408 -0.604 1.00 0.00 C ATOM 0 H THR A 66 7.127 -14.444 0.341 1.00 0.00 H new ATOM 0 HA THR A 66 8.040 -17.009 1.123 1.00 0.00 H new ATOM 0 HB THR A 66 10.223 -15.913 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.389 -13.639 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.402 -14.963 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.422 -16.449 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.628 -14.860 -1.033 1.00 0.00 H new ATOM 984 N SER A 67 7.503 -14.783 3.466 1.00 0.00 N ATOM 985 CA SER A 67 7.417 -14.578 4.907 1.00 0.00 C ATOM 986 C SER A 67 5.965 -14.616 5.375 1.00 0.00 C ATOM 987 O SER A 67 5.673 -14.373 6.545 1.00 0.00 O ATOM 988 CB SER A 67 8.055 -13.242 5.293 1.00 0.00 C ATOM 989 OG SER A 67 9.469 -13.334 5.293 1.00 0.00 O ATOM 0 H SER A 67 7.112 -14.024 2.908 1.00 0.00 H new ATOM 0 HA SER A 67 7.960 -15.386 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.738 -12.468 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.707 -12.941 6.281 1.00 0.00 H new ATOM 0 HG SER A 67 9.853 -12.467 5.541 1.00 0.00 H new ATOM 995 N ASN A 68 5.060 -14.921 4.451 1.00 0.00 N ATOM 996 CA ASN A 68 3.638 -14.990 4.768 1.00 0.00 C ATOM 997 C ASN A 68 3.221 -13.820 5.654 1.00 0.00 C ATOM 998 O ASN A 68 2.621 -14.011 6.713 1.00 0.00 O ATOM 999 CB ASN A 68 3.312 -16.313 5.464 1.00 0.00 C ATOM 1000 CG ASN A 68 1.822 -16.514 5.656 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.049 -16.467 4.698 1.00 0.00 O ATOM 1002 ND2 ASN A 68 1.410 -16.740 6.898 1.00 0.00 N ATOM 0 H ASN A 68 5.286 -15.124 3.477 1.00 0.00 H new ATOM 0 HA ASN A 68 3.080 -14.932 3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.714 -17.138 4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.808 -16.341 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.418 -16.883 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.085 -16.771 7.662 1.00 0.00 H new ATOM 1009 N LYS A 69 3.542 -12.608 5.215 1.00 0.00 N ATOM 1010 CA LYS A 69 3.200 -11.406 5.966 1.00 0.00 C ATOM 1011 C LYS A 69 2.997 -10.219 5.029 1.00 0.00 C ATOM 1012 O LYS A 69 3.036 -10.365 3.807 1.00 0.00 O ATOM 1013 CB LYS A 69 4.298 -11.085 6.982 1.00 0.00 C ATOM 1014 CG LYS A 69 5.666 -10.878 6.355 1.00 0.00 C ATOM 1015 CD LYS A 69 6.615 -10.173 7.309 1.00 0.00 C ATOM 1016 CE LYS A 69 7.023 -11.078 8.461 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.370 -10.729 8.991 1.00 0.00 N ATOM 0 H LYS A 69 4.039 -12.432 4.342 1.00 0.00 H new ATOM 0 HA LYS A 69 2.266 -11.592 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.020 -10.186 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.359 -11.897 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.086 -11.842 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.564 -10.291 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.504 -9.850 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.137 -9.276 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.287 -11.001 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.022 -12.115 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.611 -11.369 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.077 -10.827 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.364 -9.747 9.335 1.00 0.00 H new ATOM 1031 N VAL A 70 2.781 -9.043 5.610 1.00 0.00 N ATOM 1032 CA VAL A 70 2.575 -7.830 4.827 1.00 0.00 C ATOM 1033 C VAL A 70 3.607 -6.765 5.180 1.00 0.00 C ATOM 1034 O VAL A 70 4.092 -6.707 6.311 1.00 0.00 O ATOM 1035 CB VAL A 70 1.163 -7.254 5.047 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.104 -8.284 4.689 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.998 -6.784 6.485 1.00 0.00 C ATOM 0 H VAL A 70 2.744 -8.905 6.620 1.00 0.00 H new ATOM 0 HA VAL A 70 2.688 -8.107 3.779 1.00 0.00 H new ATOM 0 HB VAL A 70 1.034 -6.394 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.887 -7.859 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.211 -8.567 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.227 -9.166 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.005 -6.380 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.147 -7.625 7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.734 -6.010 6.701 1.00 0.00 H new ATOM 1047 N ARG A 71 3.939 -5.925 4.206 1.00 0.00 N ATOM 1048 CA ARG A 71 4.915 -4.862 4.414 1.00 0.00 C ATOM 1049 C ARG A 71 4.242 -3.493 4.387 1.00 0.00 C ATOM 1050 O ARG A 71 3.073 -3.372 4.023 1.00 0.00 O ATOM 1051 CB ARG A 71 6.007 -4.926 3.344 1.00 0.00 C ATOM 1052 CG ARG A 71 6.708 -6.273 3.270 1.00 0.00 C ATOM 1053 CD ARG A 71 7.497 -6.561 4.537 1.00 0.00 C ATOM 1054 NE ARG A 71 8.409 -7.689 4.370 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.307 -8.049 5.279 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.413 -7.373 6.415 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.102 -9.088 5.054 1.00 0.00 N ATOM 0 H ARG A 71 3.547 -5.960 3.265 1.00 0.00 H new ATOM 0 HA ARG A 71 5.368 -5.006 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.566 -4.701 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.747 -4.151 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.970 -7.060 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.379 -6.289 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.065 -5.675 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.807 -6.771 5.354 1.00 0.00 H new ATOM 0 HE ARG A 71 8.353 -8.230 3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.804 -6.574 6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.104 -7.652 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.023 -9.611 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.792 -9.363 5.753 1.00 0.00 H new ATOM 1071 N ASN A 72 4.989 -2.464 4.777 1.00 0.00 N ATOM 1072 CA ASN A 72 4.464 -1.104 4.798 1.00 0.00 C ATOM 1073 C ASN A 72 5.431 -0.137 4.122 1.00 0.00 C ATOM 1074 O ASN A 72 6.411 0.300 4.725 1.00 0.00 O ATOM 1075 CB ASN A 72 4.203 -0.658 6.239 1.00 0.00 C ATOM 1076 CG ASN A 72 3.635 -1.773 7.095 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.183 -2.105 8.146 1.00 0.00 O ATOM 1078 ND2 ASN A 72 2.530 -2.358 6.647 1.00 0.00 N ATOM 0 H ASN A 72 5.959 -2.547 5.082 1.00 0.00 H new ATOM 0 HA ASN A 72 3.524 -1.095 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.134 -0.303 6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.510 0.183 6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.102 -3.115 7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.110 -2.050 5.770 1.00 0.00 H new ATOM 1085 N TYR A 73 5.147 0.194 2.867 1.00 0.00 N ATOM 1086 CA TYR A 73 5.993 1.108 2.108 1.00 0.00 C ATOM 1087 C TYR A 73 5.347 2.486 2.002 1.00 0.00 C ATOM 1088 O TYR A 73 4.550 2.743 1.100 1.00 0.00 O ATOM 1089 CB TYR A 73 6.258 0.548 0.709 1.00 0.00 C ATOM 1090 CG TYR A 73 7.100 -0.708 0.710 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.482 -0.641 0.833 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.513 -1.962 0.587 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.255 -1.786 0.833 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.278 -3.112 0.588 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.649 -3.019 0.710 1.00 0.00 C ATOM 1096 OH TYR A 73 9.415 -4.161 0.711 1.00 0.00 O ATOM 0 H TYR A 73 4.338 -0.157 2.354 1.00 0.00 H new ATOM 0 HA TYR A 73 6.941 1.210 2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.305 0.336 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.757 1.310 0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.960 0.322 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.440 -2.038 0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.328 -1.716 0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.806 -4.079 0.494 1.00 0.00 H new ATOM 0 HH TYR A 73 10.354 -3.925 0.556 1.00 0.00 H new ATOM 1106 N ARG A 74 5.699 3.370 2.930 1.00 0.00 N ATOM 1107 CA ARG A 74 5.154 4.722 2.943 1.00 0.00 C ATOM 1108 C ARG A 74 5.436 5.434 1.623 1.00 0.00 C ATOM 1109 O ARG A 74 6.590 5.580 1.219 1.00 0.00 O ATOM 1110 CB ARG A 74 5.748 5.523 4.104 1.00 0.00 C ATOM 1111 CG ARG A 74 4.880 6.690 4.546 1.00 0.00 C ATOM 1112 CD ARG A 74 5.226 7.960 3.785 1.00 0.00 C ATOM 1113 NE ARG A 74 4.293 9.045 4.079 1.00 0.00 N ATOM 1114 CZ ARG A 74 4.277 9.710 5.229 1.00 0.00 C ATOM 1115 NH1 ARG A 74 5.140 9.403 6.188 1.00 0.00 N ATOM 1116 NH2 ARG A 74 3.398 10.685 5.421 1.00 0.00 N ATOM 0 H ARG A 74 6.359 3.174 3.682 1.00 0.00 H new ATOM 0 HA ARG A 74 4.074 4.651 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.905 4.856 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.727 5.900 3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.830 6.444 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.011 6.858 5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.238 8.272 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.218 7.755 2.715 1.00 0.00 H new ATOM 0 HE ARG A 74 3.617 9.306 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.818 8.655 6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.126 9.915 7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.733 10.925 4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.387 11.195 6.304 1.00 0.00 H new ATOM 1130 N ILE A 75 4.374 5.874 0.957 1.00 0.00 N ATOM 1131 CA ILE A 75 4.508 6.571 -0.317 1.00 0.00 C ATOM 1132 C ILE A 75 4.617 8.078 -0.110 1.00 0.00 C ATOM 1133 O ILE A 75 3.609 8.770 0.036 1.00 0.00 O ATOM 1134 CB ILE A 75 3.316 6.277 -1.247 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.160 4.768 -1.450 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.501 6.980 -2.583 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.790 4.364 -1.949 1.00 0.00 C ATOM 0 H ILE A 75 3.412 5.761 1.277 1.00 0.00 H new ATOM 0 HA ILE A 75 5.422 6.204 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 75 2.407 6.658 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.912 4.425 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.358 4.260 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.651 6.763 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.569 8.056 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.417 6.626 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.752 3.281 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.034 4.676 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.596 4.843 -2.909 1.00 0.00 H new ATOM 1149 N PHE A 76 5.847 8.581 -0.101 1.00 0.00 N ATOM 1150 CA PHE A 76 6.088 10.007 0.086 1.00 0.00 C ATOM 1151 C PHE A 76 5.634 10.801 -1.135 1.00 0.00 C ATOM 1152 O PHE A 76 5.352 10.231 -2.188 1.00 0.00 O ATOM 1153 CB PHE A 76 7.573 10.263 0.352 1.00 0.00 C ATOM 1154 CG PHE A 76 8.103 9.530 1.551 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.878 10.013 2.830 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.827 8.358 1.399 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.364 9.340 3.936 1.00 0.00 C ATOM 1158 CE2 PHE A 76 9.315 7.681 2.500 1.00 0.00 C ATOM 1159 CZ PHE A 76 9.084 8.173 3.770 1.00 0.00 C ATOM 0 H PHE A 76 6.692 8.023 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 76 5.508 10.338 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.147 9.969 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.730 11.333 0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.317 10.926 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.012 7.969 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.181 9.726 4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.877 6.768 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.466 7.646 4.632 1.00 0.00 H new ATOM 1169 N GLU A 77 5.565 12.120 -0.984 1.00 0.00 N ATOM 1170 CA GLU A 77 5.144 12.992 -2.074 1.00 0.00 C ATOM 1171 C GLU A 77 6.134 14.137 -2.268 1.00 0.00 C ATOM 1172 O GLU A 77 6.132 15.110 -1.514 1.00 0.00 O ATOM 1173 CB GLU A 77 3.747 13.552 -1.797 1.00 0.00 C ATOM 1174 CG GLU A 77 3.153 14.313 -2.971 1.00 0.00 C ATOM 1175 CD GLU A 77 2.101 15.317 -2.543 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.210 14.941 -1.753 1.00 0.00 O ATOM 1177 OE2 GLU A 77 2.169 16.478 -2.997 1.00 0.00 O ATOM 0 H GLU A 77 5.795 12.608 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 77 5.116 12.400 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.081 12.730 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.795 14.214 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.950 14.832 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.710 13.605 -3.672 1.00 0.00 H new ATOM 1184 N LYS A 78 6.980 14.013 -3.286 1.00 0.00 N ATOM 1185 CA LYS A 78 7.975 15.036 -3.582 1.00 0.00 C ATOM 1186 C LYS A 78 7.935 15.424 -5.057 1.00 0.00 C ATOM 1187 O LYS A 78 7.886 14.561 -5.934 1.00 0.00 O ATOM 1188 CB LYS A 78 9.374 14.537 -3.213 1.00 0.00 C ATOM 1189 CG LYS A 78 10.492 15.272 -3.934 1.00 0.00 C ATOM 1190 CD LYS A 78 11.850 14.946 -3.336 1.00 0.00 C ATOM 1191 CE LYS A 78 12.102 15.737 -2.061 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.658 17.088 -2.347 1.00 0.00 N ATOM 0 H LYS A 78 6.996 13.214 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 78 7.741 15.918 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.516 14.642 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.443 13.473 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.484 15.002 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.317 16.346 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.907 13.879 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.631 15.167 -4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.169 15.838 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.794 15.187 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.816 17.595 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.561 16.992 -2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.986 17.623 -2.934 1.00 0.00 H new ATOM 1206 N ASP A 79 7.957 16.725 -5.322 1.00 0.00 N ATOM 1207 CA ASP A 79 7.925 17.227 -6.691 1.00 0.00 C ATOM 1208 C ASP A 79 6.770 16.606 -7.471 1.00 0.00 C ATOM 1209 O ASP A 79 6.843 16.453 -8.690 1.00 0.00 O ATOM 1210 CB ASP A 79 9.250 16.932 -7.396 1.00 0.00 C ATOM 1211 CG ASP A 79 9.490 17.843 -8.584 1.00 0.00 C ATOM 1212 OD1 ASP A 79 8.532 18.087 -9.347 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.635 18.312 -8.749 1.00 0.00 O ATOM 0 H ASP A 79 7.997 17.452 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 79 7.775 18.306 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.069 17.043 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.257 15.895 -7.730 1.00 0.00 H new ATOM 1218 N SER A 80 5.706 16.250 -6.759 1.00 0.00 N ATOM 1219 CA SER A 80 4.538 15.641 -7.383 1.00 0.00 C ATOM 1220 C SER A 80 4.880 14.268 -7.954 1.00 0.00 C ATOM 1221 O SER A 80 4.333 13.853 -8.976 1.00 0.00 O ATOM 1222 CB SER A 80 3.996 16.546 -8.492 1.00 0.00 C ATOM 1223 OG SER A 80 3.712 17.843 -7.998 1.00 0.00 O ATOM 0 H SER A 80 5.629 16.373 -5.749 1.00 0.00 H new ATOM 0 HA SER A 80 3.772 15.516 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.725 16.613 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.091 16.108 -8.914 1.00 0.00 H new ATOM 0 HG SER A 80 3.369 18.402 -8.726 1.00 0.00 H new ATOM 1229 N LYS A 81 5.790 13.567 -7.285 1.00 0.00 N ATOM 1230 CA LYS A 81 6.206 12.240 -7.723 1.00 0.00 C ATOM 1231 C LYS A 81 6.299 11.281 -6.540 1.00 0.00 C ATOM 1232 O LYS A 81 7.133 11.456 -5.651 1.00 0.00 O ATOM 1233 CB LYS A 81 7.557 12.317 -8.438 1.00 0.00 C ATOM 1234 CG LYS A 81 7.573 13.289 -9.605 1.00 0.00 C ATOM 1235 CD LYS A 81 8.570 12.865 -10.670 1.00 0.00 C ATOM 1236 CE LYS A 81 8.979 14.038 -11.549 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.846 15.003 -10.818 1.00 0.00 N ATOM 0 H LYS A 81 6.253 13.896 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 81 5.455 11.862 -8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.322 12.612 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.824 11.324 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.576 13.351 -10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.825 14.287 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.454 12.440 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.133 12.081 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.508 13.667 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.087 14.551 -11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.359 15.596 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.257 15.607 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.528 14.481 -10.232 1.00 0.00 H new ATOM 1251 N PHE A 82 5.440 10.268 -6.536 1.00 0.00 N ATOM 1252 CA PHE A 82 5.426 9.282 -5.462 1.00 0.00 C ATOM 1253 C PHE A 82 6.767 8.561 -5.367 1.00 0.00 C ATOM 1254 O PHE A 82 7.232 7.962 -6.337 1.00 0.00 O ATOM 1255 CB PHE A 82 4.304 8.266 -5.688 1.00 0.00 C ATOM 1256 CG PHE A 82 2.996 8.895 -6.076 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.384 9.820 -5.246 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.378 8.560 -7.270 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.180 10.399 -5.600 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.174 9.136 -7.630 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.575 10.058 -6.794 1.00 0.00 C ATOM 0 H PHE A 82 4.744 10.108 -7.264 1.00 0.00 H new ATOM 0 HA PHE A 82 5.248 9.807 -4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.608 7.568 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.162 7.684 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.853 10.092 -4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.843 7.840 -7.927 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.712 11.118 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.703 8.866 -8.563 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.365 10.511 -7.073 1.00 0.00 H new ATOM 1271 N TYR A 83 7.385 8.625 -4.193 1.00 0.00 N ATOM 1272 CA TYR A 83 8.674 7.982 -3.972 1.00 0.00 C ATOM 1273 C TYR A 83 8.704 7.270 -2.622 1.00 0.00 C ATOM 1274 O TYR A 83 8.023 7.674 -1.679 1.00 0.00 O ATOM 1275 CB TYR A 83 9.801 9.014 -4.041 1.00 0.00 C ATOM 1276 CG TYR A 83 9.931 9.854 -2.791 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.680 9.411 -1.708 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.304 11.090 -2.692 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.801 10.175 -0.563 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.420 11.861 -1.551 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.170 11.399 -0.489 1.00 0.00 C ATOM 1282 OH TYR A 83 10.287 12.163 0.649 1.00 0.00 O ATOM 0 H TYR A 83 7.014 9.116 -3.380 1.00 0.00 H new ATOM 0 HA TYR A 83 8.820 7.240 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.744 8.498 -4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.629 9.671 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.176 8.453 -1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.716 11.455 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.387 9.815 0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.926 12.820 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 83 9.783 12.996 0.537 1.00 0.00 H new ATOM 1292 N LEU A 84 9.498 6.209 -2.538 1.00 0.00 N ATOM 1293 CA LEU A 84 9.619 5.439 -1.305 1.00 0.00 C ATOM 1294 C LEU A 84 10.998 5.624 -0.680 1.00 0.00 C ATOM 1295 O LEU A 84 11.140 5.633 0.542 1.00 0.00 O ATOM 1296 CB LEU A 84 9.366 3.956 -1.579 1.00 0.00 C ATOM 1297 CG LEU A 84 8.203 3.636 -2.519 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.055 2.132 -2.693 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.910 4.244 -1.995 1.00 0.00 C ATOM 0 H LEU A 84 10.068 5.862 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 84 8.870 5.805 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.275 3.524 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.185 3.457 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 84 8.418 4.074 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.223 1.924 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.973 1.722 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.863 1.671 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.094 4.006 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.690 3.836 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.019 5.326 -1.924 1.00 0.00 H new ATOM 1311 N GLU A 85 12.011 5.774 -1.528 1.00 0.00 N ATOM 1312 CA GLU A 85 13.379 5.960 -1.058 1.00 0.00 C ATOM 1313 C GLU A 85 13.742 7.442 -1.015 1.00 0.00 C ATOM 1314 O GLU A 85 14.228 7.944 -0.003 1.00 0.00 O ATOM 1315 CB GLU A 85 14.359 5.210 -1.962 1.00 0.00 C ATOM 1316 CG GLU A 85 14.297 5.641 -3.418 1.00 0.00 C ATOM 1317 CD GLU A 85 15.083 4.722 -4.333 1.00 0.00 C ATOM 1318 OE1 GLU A 85 16.325 4.681 -4.210 1.00 0.00 O ATOM 1319 OE2 GLU A 85 14.455 4.043 -5.172 1.00 0.00 O ATOM 0 H GLU A 85 11.910 5.770 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 85 13.447 5.557 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.372 5.362 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.153 4.141 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.256 5.666 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.684 6.656 -3.509 1.00 0.00 H new ATOM 1326 N GLY A 86 13.502 8.137 -2.123 1.00 0.00 N ATOM 1327 CA GLY A 86 13.810 9.553 -2.192 1.00 0.00 C ATOM 1328 C GLY A 86 14.201 9.994 -3.588 1.00 0.00 C ATOM 1329 O GLY A 86 13.354 10.093 -4.475 1.00 0.00 O ATOM 0 H GLY A 86 13.100 7.744 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.944 10.127 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.623 9.779 -1.502 1.00 0.00 H new ATOM 1333 N GLU A 87 15.489 10.262 -3.784 1.00 0.00 N ATOM 1334 CA GLU A 87 15.989 10.697 -5.082 1.00 0.00 C ATOM 1335 C GLU A 87 15.227 10.017 -6.215 1.00 0.00 C ATOM 1336 O GLU A 87 15.040 10.593 -7.287 1.00 0.00 O ATOM 1337 CB GLU A 87 17.484 10.395 -5.205 1.00 0.00 C ATOM 1338 CG GLU A 87 17.814 8.914 -5.133 1.00 0.00 C ATOM 1339 CD GLU A 87 19.218 8.605 -5.614 1.00 0.00 C ATOM 1340 OE1 GLU A 87 20.174 9.206 -5.080 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.362 7.762 -6.524 1.00 0.00 O ATOM 0 H GLU A 87 16.204 10.185 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 87 15.835 11.773 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.850 10.795 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.018 10.917 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.703 8.570 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.097 8.356 -5.735 1.00 0.00 H new ATOM 1348 N VAL A 88 14.790 8.786 -5.971 1.00 0.00 N ATOM 1349 CA VAL A 88 14.048 8.025 -6.969 1.00 0.00 C ATOM 1350 C VAL A 88 12.544 8.164 -6.760 1.00 0.00 C ATOM 1351 O VAL A 88 11.979 7.582 -5.832 1.00 0.00 O ATOM 1352 CB VAL A 88 14.424 6.532 -6.932 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.648 5.759 -7.987 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.923 6.356 -7.126 1.00 0.00 C ATOM 0 H VAL A 88 14.937 8.294 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 88 14.317 8.435 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 88 14.157 6.132 -5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.927 4.706 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.579 5.859 -7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.881 6.157 -8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.172 5.295 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.216 6.771 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.456 6.875 -6.330 1.00 0.00 H new ATOM 1364 N LEU A 89 11.900 8.938 -7.627 1.00 0.00 N ATOM 1365 CA LEU A 89 10.460 9.153 -7.538 1.00 0.00 C ATOM 1366 C LEU A 89 9.762 8.704 -8.817 1.00 0.00 C ATOM 1367 O LEU A 89 10.408 8.250 -9.762 1.00 0.00 O ATOM 1368 CB LEU A 89 10.161 10.630 -7.272 1.00 0.00 C ATOM 1369 CG LEU A 89 11.183 11.378 -6.415 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.257 12.005 -7.291 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.495 12.439 -5.570 1.00 0.00 C ATOM 0 H LEU A 89 12.352 9.427 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 89 10.079 8.556 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.077 11.141 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.188 10.701 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 89 11.661 10.663 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.975 12.533 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.770 11.224 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.796 12.708 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.237 12.961 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.990 13.152 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.764 11.965 -4.915 1.00 0.00 H new ATOM 1383 N PHE A 90 8.440 8.834 -8.841 1.00 0.00 N ATOM 1384 CA PHE A 90 7.654 8.443 -10.005 1.00 0.00 C ATOM 1385 C PHE A 90 6.466 9.380 -10.200 1.00 0.00 C ATOM 1386 O PHE A 90 5.575 9.456 -9.354 1.00 0.00 O ATOM 1387 CB PHE A 90 7.161 7.002 -9.853 1.00 0.00 C ATOM 1388 CG PHE A 90 8.272 5.995 -9.759 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.825 5.667 -8.531 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.763 5.377 -10.897 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.848 4.742 -8.442 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.785 4.450 -10.814 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.328 4.132 -9.585 1.00 0.00 C ATOM 0 H PHE A 90 7.890 9.207 -8.067 1.00 0.00 H new ATOM 0 HA PHE A 90 8.295 8.510 -10.884 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.541 6.931 -8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.526 6.752 -10.703 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.452 6.139 -7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.342 5.622 -11.861 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.272 4.496 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.158 3.975 -11.709 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.126 3.408 -9.517 1.00 0.00 H new ATOM 1403 N VAL A 91 6.461 10.094 -11.321 1.00 0.00 N ATOM 1404 CA VAL A 91 5.383 11.027 -11.629 1.00 0.00 C ATOM 1405 C VAL A 91 4.031 10.461 -11.211 1.00 0.00 C ATOM 1406 O VAL A 91 3.171 11.186 -10.711 1.00 0.00 O ATOM 1407 CB VAL A 91 5.344 11.364 -13.131 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.622 10.271 -13.905 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.682 12.715 -13.357 1.00 0.00 C ATOM 0 H VAL A 91 7.191 10.044 -12.031 1.00 0.00 H new ATOM 0 HA VAL A 91 5.582 11.938 -11.065 1.00 0.00 H new ATOM 0 HB VAL A 91 6.368 11.421 -13.500 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.604 10.526 -14.964 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.144 9.324 -13.769 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.600 10.179 -13.537 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.663 12.937 -14.424 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.662 12.689 -12.974 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.246 13.488 -12.835 1.00 0.00 H new ATOM 1419 N SER A 92 3.850 9.161 -11.418 1.00 0.00 N ATOM 1420 CA SER A 92 2.600 8.497 -11.066 1.00 0.00 C ATOM 1421 C SER A 92 2.856 7.067 -10.602 1.00 0.00 C ATOM 1422 O SER A 92 3.796 6.414 -11.055 1.00 0.00 O ATOM 1423 CB SER A 92 1.645 8.494 -12.261 1.00 0.00 C ATOM 1424 OG SER A 92 2.288 8.008 -13.427 1.00 0.00 O ATOM 0 H SER A 92 4.553 8.546 -11.828 1.00 0.00 H new ATOM 0 HA SER A 92 2.143 9.050 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.777 7.874 -12.035 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.277 9.505 -12.439 1.00 0.00 H new ATOM 0 HG SER A 92 1.656 8.015 -14.176 1.00 0.00 H new ATOM 1430 N VAL A 93 2.013 6.586 -9.694 1.00 0.00 N ATOM 1431 CA VAL A 93 2.146 5.232 -9.169 1.00 0.00 C ATOM 1432 C VAL A 93 2.344 4.222 -10.293 1.00 0.00 C ATOM 1433 O VAL A 93 3.256 3.398 -10.249 1.00 0.00 O ATOM 1434 CB VAL A 93 0.911 4.827 -8.342 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.062 3.408 -7.817 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.692 5.807 -7.198 1.00 0.00 C ATOM 0 H VAL A 93 1.231 7.114 -9.307 1.00 0.00 H new ATOM 0 HA VAL A 93 3.024 5.229 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 93 0.035 4.858 -8.990 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.180 3.140 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.167 2.719 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.947 3.347 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.184 5.506 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.568 5.810 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.536 6.808 -7.601 1.00 0.00 H new ATOM 1446 N GLY A 94 1.482 4.293 -11.303 1.00 0.00 N ATOM 1447 CA GLY A 94 1.579 3.379 -12.427 1.00 0.00 C ATOM 1448 C GLY A 94 3.015 3.092 -12.817 1.00 0.00 C ATOM 1449 O GLY A 94 3.467 1.949 -12.749 1.00 0.00 O ATOM 0 H GLY A 94 0.719 4.967 -11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.080 2.443 -12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.051 3.801 -13.282 1.00 0.00 H new ATOM 1453 N SER A 95 3.734 4.131 -13.230 1.00 0.00 N ATOM 1454 CA SER A 95 5.126 3.983 -13.639 1.00 0.00 C ATOM 1455 C SER A 95 5.942 3.294 -12.549 1.00 0.00 C ATOM 1456 O SER A 95 6.702 2.365 -12.822 1.00 0.00 O ATOM 1457 CB SER A 95 5.734 5.350 -13.959 1.00 0.00 C ATOM 1458 OG SER A 95 5.553 5.681 -15.325 1.00 0.00 O ATOM 0 H SER A 95 3.376 5.084 -13.290 1.00 0.00 H new ATOM 0 HA SER A 95 5.152 3.363 -14.535 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.272 6.113 -13.332 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.798 5.343 -13.721 1.00 0.00 H new ATOM 0 HG SER A 95 5.949 6.560 -15.504 1.00 0.00 H new ATOM 1464 N MET A 96 5.777 3.756 -11.314 1.00 0.00 N ATOM 1465 CA MET A 96 6.497 3.184 -10.182 1.00 0.00 C ATOM 1466 C MET A 96 6.366 1.664 -10.167 1.00 0.00 C ATOM 1467 O MET A 96 7.363 0.946 -10.092 1.00 0.00 O ATOM 1468 CB MET A 96 5.972 3.766 -8.869 1.00 0.00 C ATOM 1469 CG MET A 96 6.823 3.408 -7.662 1.00 0.00 C ATOM 1470 SD MET A 96 6.350 4.323 -6.182 1.00 0.00 S ATOM 1471 CE MET A 96 4.709 3.666 -5.888 1.00 0.00 C ATOM 0 H MET A 96 5.151 4.524 -11.072 1.00 0.00 H new ATOM 0 HA MET A 96 7.551 3.439 -10.287 1.00 0.00 H new ATOM 0 HB2 MET A 96 5.920 4.851 -8.957 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.955 3.410 -8.704 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.738 2.339 -7.466 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.870 3.608 -7.889 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.475 3.734 -4.826 1.00 0.00 H new ATOM 0 HE2 MET A 96 3.979 4.241 -6.458 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.673 2.623 -6.202 1.00 0.00 H new ATOM 1481 N VAL A 97 5.130 1.180 -10.238 1.00 0.00 N ATOM 1482 CA VAL A 97 4.869 -0.254 -10.233 1.00 0.00 C ATOM 1483 C VAL A 97 5.665 -0.962 -11.323 1.00 0.00 C ATOM 1484 O VAL A 97 6.335 -1.961 -11.067 1.00 0.00 O ATOM 1485 CB VAL A 97 3.371 -0.553 -10.430 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.105 -2.046 -10.323 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.536 0.220 -9.420 1.00 0.00 C ATOM 0 H VAL A 97 4.294 1.761 -10.300 1.00 0.00 H new ATOM 0 HA VAL A 97 5.181 -0.628 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 97 3.082 -0.228 -11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.041 -2.237 -10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.674 -2.573 -11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.409 -2.400 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.480 -0.003 -9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.825 -0.071 -8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.704 1.289 -9.551 1.00 0.00 H new ATOM 1497 N GLU A 98 5.587 -0.435 -12.542 1.00 0.00 N ATOM 1498 CA GLU A 98 6.301 -1.017 -13.672 1.00 0.00 C ATOM 1499 C GLU A 98 7.806 -1.028 -13.418 1.00 0.00 C ATOM 1500 O GLU A 98 8.524 -1.899 -13.911 1.00 0.00 O ATOM 1501 CB GLU A 98 5.995 -0.238 -14.953 1.00 0.00 C ATOM 1502 CG GLU A 98 4.584 0.323 -15.001 1.00 0.00 C ATOM 1503 CD GLU A 98 4.053 0.447 -16.416 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.324 -0.457 -17.234 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.366 1.449 -16.705 1.00 0.00 O ATOM 0 H GLU A 98 5.037 0.393 -12.771 1.00 0.00 H new ATOM 0 HA GLU A 98 5.963 -2.046 -13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.707 0.582 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.146 -0.893 -15.811 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.921 -0.321 -14.423 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.570 1.303 -14.525 1.00 0.00 H new ATOM 1512 N HIS A 99 8.277 -0.054 -12.646 1.00 0.00 N ATOM 1513 CA HIS A 99 9.696 0.050 -12.326 1.00 0.00 C ATOM 1514 C HIS A 99 10.116 -1.052 -11.358 1.00 0.00 C ATOM 1515 O HIS A 99 11.135 -1.714 -11.559 1.00 0.00 O ATOM 1516 CB HIS A 99 10.006 1.420 -11.723 1.00 0.00 C ATOM 1517 CG HIS A 99 11.276 1.453 -10.930 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.550 1.014 -9.679 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.452 1.987 -11.413 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.873 1.287 -9.433 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.395 1.874 -10.495 1.00 0.00 N flip ATOM 0 H HIS A 99 7.697 0.675 -12.230 1.00 0.00 H new ATOM 0 HA HIS A 99 10.261 -0.067 -13.251 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.069 2.155 -12.526 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.178 1.720 -11.080 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.896 0.564 -9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.582 2.429 -12.390 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.401 1.059 -8.519 1.00 0.00 H new ATOM 1530 N TYR A 100 9.327 -1.242 -10.307 1.00 0.00 N ATOM 1531 CA TYR A 100 9.619 -2.261 -9.306 1.00 0.00 C ATOM 1532 C TYR A 100 9.537 -3.659 -9.911 1.00 0.00 C ATOM 1533 O TYR A 100 10.258 -4.569 -9.501 1.00 0.00 O ATOM 1534 CB TYR A 100 8.646 -2.145 -8.131 1.00 0.00 C ATOM 1535 CG TYR A 100 8.874 -0.919 -7.275 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.158 -0.522 -6.922 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.805 -0.157 -6.820 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.371 0.596 -6.141 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.008 0.964 -6.039 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.293 1.337 -5.702 1.00 0.00 C ATOM 1541 OH TYR A 100 9.499 2.452 -4.923 1.00 0.00 O ATOM 0 H TYR A 100 8.480 -0.704 -10.126 1.00 0.00 H new ATOM 0 HA TYR A 100 10.635 -2.099 -8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.626 -2.125 -8.515 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.734 -3.035 -7.508 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.004 -1.099 -7.265 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.798 -0.446 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.376 0.889 -5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.166 1.545 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 100 9.135 3.240 -5.378 1.00 0.00 H new ATOM 1551 N HIS A 101 8.654 -3.821 -10.891 1.00 0.00 N ATOM 1552 CA HIS A 101 8.477 -5.108 -11.556 1.00 0.00 C ATOM 1553 C HIS A 101 9.824 -5.782 -11.801 1.00 0.00 C ATOM 1554 O HIS A 101 9.908 -7.006 -11.908 1.00 0.00 O ATOM 1555 CB HIS A 101 7.737 -4.924 -12.881 1.00 0.00 C ATOM 1556 CG HIS A 101 6.247 -5.005 -12.751 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.413 -5.281 -13.814 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.443 -4.847 -11.674 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.160 -5.287 -13.397 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.150 -5.027 -12.102 1.00 0.00 N ATOM 0 H HIS A 101 8.050 -3.078 -11.242 1.00 0.00 H new ATOM 0 HA HIS A 101 7.883 -5.748 -10.903 1.00 0.00 H new ATOM 0 HB2 HIS A 101 8.004 -3.956 -13.306 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.074 -5.685 -13.585 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.759 -4.621 -10.666 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.291 -5.473 -14.011 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.318 -4.969 -11.515 1.00 0.00 H new ATOM 1569 N THR A 102 10.877 -4.974 -11.890 1.00 0.00 N ATOM 1570 CA THR A 102 12.219 -5.492 -12.125 1.00 0.00 C ATOM 1571 C THR A 102 13.144 -5.172 -10.956 1.00 0.00 C ATOM 1572 O THR A 102 14.145 -5.855 -10.738 1.00 0.00 O ATOM 1573 CB THR A 102 12.826 -4.914 -13.417 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.025 -3.503 -13.277 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.921 -5.187 -14.609 1.00 0.00 C ATOM 0 H THR A 102 10.826 -3.959 -11.803 1.00 0.00 H new ATOM 0 HA THR A 102 12.127 -6.573 -12.227 1.00 0.00 H new ATOM 0 HB THR A 102 13.786 -5.400 -13.590 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.282 -3.117 -12.768 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.370 -4.770 -15.510 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.795 -6.263 -14.731 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.948 -4.725 -14.441 1.00 0.00 H new ATOM 1583 N HIS A 103 12.802 -4.129 -10.205 1.00 0.00 N ATOM 1584 CA HIS A 103 13.602 -3.720 -9.056 1.00 0.00 C ATOM 1585 C HIS A 103 12.879 -4.034 -7.751 1.00 0.00 C ATOM 1586 O HIS A 103 12.049 -3.253 -7.284 1.00 0.00 O ATOM 1587 CB HIS A 103 13.915 -2.225 -9.133 1.00 0.00 C ATOM 1588 CG HIS A 103 15.181 -1.915 -9.869 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.996 -0.849 -9.549 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.773 -2.538 -10.915 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.033 -0.830 -10.367 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.922 -1.844 -11.205 1.00 0.00 N ATOM 0 H HIS A 103 11.977 -3.553 -10.372 1.00 0.00 H new ATOM 0 HA HIS A 103 14.536 -4.281 -9.076 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.086 -1.713 -9.622 1.00 0.00 H new ATOM 0 HB3 HIS A 103 13.985 -1.824 -8.122 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.409 -3.417 -11.426 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.836 -0.107 -10.353 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.582 -2.075 -11.947 1.00 0.00 H new ATOM 1601 N VAL A 104 13.198 -5.184 -7.165 1.00 0.00 N ATOM 1602 CA VAL A 104 12.578 -5.602 -5.913 1.00 0.00 C ATOM 1603 C VAL A 104 12.512 -4.447 -4.920 1.00 0.00 C ATOM 1604 O VAL A 104 13.405 -3.600 -4.875 1.00 0.00 O ATOM 1605 CB VAL A 104 13.346 -6.773 -5.270 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.847 -6.552 -5.381 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.930 -6.949 -3.818 1.00 0.00 C ATOM 0 H VAL A 104 13.882 -5.843 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 104 11.567 -5.929 -6.154 1.00 0.00 H new ATOM 0 HB VAL A 104 13.097 -7.688 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.373 -7.389 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.127 -6.480 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.118 -5.628 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.482 -7.780 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.148 -6.036 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.861 -7.157 -3.768 1.00 0.00 H new ATOM 1617 N LEU A 105 11.448 -4.418 -4.125 1.00 0.00 N ATOM 1618 CA LEU A 105 11.264 -3.366 -3.131 1.00 0.00 C ATOM 1619 C LEU A 105 12.276 -3.505 -1.998 1.00 0.00 C ATOM 1620 O LEU A 105 12.803 -4.585 -1.733 1.00 0.00 O ATOM 1621 CB LEU A 105 9.842 -3.412 -2.569 1.00 0.00 C ATOM 1622 CG LEU A 105 8.730 -3.697 -3.578 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.421 -3.992 -2.862 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.564 -2.525 -4.535 1.00 0.00 C ATOM 0 H LEU A 105 10.700 -5.111 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 105 11.424 -2.405 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.805 -4.176 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.632 -2.457 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 105 9.009 -4.577 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.641 -4.192 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.546 -4.863 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.136 -3.132 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.768 -2.746 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.308 -1.628 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.497 -2.361 -5.074 1.00 0.00 H new ATOM 1636 N PRO A 106 12.553 -2.386 -1.312 1.00 0.00 N ATOM 1637 CA PRO A 106 13.501 -2.358 -0.194 1.00 0.00 C ATOM 1638 C PRO A 106 12.975 -3.097 1.032 1.00 0.00 C ATOM 1639 O PRO A 106 11.774 -3.338 1.155 1.00 0.00 O ATOM 1640 CB PRO A 106 13.651 -0.864 0.106 1.00 0.00 C ATOM 1641 CG PRO A 106 12.383 -0.251 -0.380 1.00 0.00 C ATOM 1642 CD PRO A 106 11.961 -1.063 -1.573 1.00 0.00 C ATOM 0 HA PRO A 106 14.439 -2.854 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.793 -0.687 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.516 -0.442 -0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.618 -0.271 0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.534 0.794 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.876 -1.118 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.332 -0.633 -2.503 1.00 0.00 H new ATOM 1650 N SER A 107 13.881 -3.454 1.936 1.00 0.00 N ATOM 1651 CA SER A 107 13.508 -4.169 3.151 1.00 0.00 C ATOM 1652 C SER A 107 13.114 -5.608 2.835 1.00 0.00 C ATOM 1653 O SER A 107 12.358 -6.235 3.578 1.00 0.00 O ATOM 1654 CB SER A 107 12.352 -3.454 3.854 1.00 0.00 C ATOM 1655 OG SER A 107 11.101 -3.949 3.409 1.00 0.00 O ATOM 0 H SER A 107 14.879 -3.260 1.850 1.00 0.00 H new ATOM 0 HA SER A 107 14.373 -4.185 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.438 -3.590 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.412 -2.383 3.662 1.00 0.00 H new ATOM 0 HG SER A 107 11.118 -4.052 2.435 1.00 0.00 H new ATOM 1661 N HIS A 108 13.633 -6.127 1.727 1.00 0.00 N ATOM 1662 CA HIS A 108 13.337 -7.494 1.311 1.00 0.00 C ATOM 1663 C HIS A 108 14.447 -8.043 0.420 1.00 0.00 C ATOM 1664 O HIS A 108 15.469 -7.390 0.214 1.00 0.00 O ATOM 1665 CB HIS A 108 12.000 -7.546 0.572 1.00 0.00 C ATOM 1666 CG HIS A 108 11.198 -8.775 0.870 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.255 -9.917 0.098 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.318 -9.039 1.864 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.443 -10.828 0.603 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.863 -10.321 1.676 1.00 0.00 N ATOM 0 H HIS A 108 14.260 -5.622 1.101 1.00 0.00 H new ATOM 0 HA HIS A 108 13.273 -8.114 2.205 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.413 -6.666 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.185 -7.494 -0.501 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.834 -10.039 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.028 -8.366 2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.281 -11.819 0.206 1.00 0.00 H new ATOM 1679 N GLN A 109 14.237 -9.246 -0.104 1.00 0.00 N ATOM 1680 CA GLN A 109 15.221 -9.883 -0.972 1.00 0.00 C ATOM 1681 C GLN A 109 14.694 -9.999 -2.399 1.00 0.00 C ATOM 1682 O GLN A 109 15.317 -9.514 -3.343 1.00 0.00 O ATOM 1683 CB GLN A 109 15.584 -11.269 -0.436 1.00 0.00 C ATOM 1684 CG GLN A 109 14.387 -12.191 -0.273 1.00 0.00 C ATOM 1685 CD GLN A 109 14.621 -13.273 0.764 1.00 0.00 C ATOM 1686 OE1 GLN A 109 14.954 -12.985 1.914 1.00 0.00 O ATOM 1687 NE2 GLN A 109 14.447 -14.526 0.361 1.00 0.00 N ATOM 0 H GLN A 109 13.395 -9.799 0.057 1.00 0.00 H new ATOM 0 HA GLN A 109 16.115 -9.260 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.301 -11.734 -1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.080 -11.158 0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.515 -11.602 0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.158 -12.656 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.171 -14.718 -0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.590 -15.296 1.014 1.00 0.00 H new ATOM 1696 N SER A 110 13.542 -10.646 -2.548 1.00 0.00 N ATOM 1697 CA SER A 110 12.934 -10.830 -3.861 1.00 0.00 C ATOM 1698 C SER A 110 11.439 -10.528 -3.813 1.00 0.00 C ATOM 1699 O SER A 110 10.619 -11.318 -4.283 1.00 0.00 O ATOM 1700 CB SER A 110 13.162 -12.259 -4.356 1.00 0.00 C ATOM 1701 OG SER A 110 12.792 -12.392 -5.718 1.00 0.00 O ATOM 0 H SER A 110 13.012 -11.051 -1.777 1.00 0.00 H new ATOM 0 HA SER A 110 13.406 -10.134 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.211 -12.527 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.582 -12.954 -3.749 1.00 0.00 H new ATOM 0 HG SER A 110 11.843 -12.173 -5.822 1.00 0.00 H new ATOM 1707 N LEU A 111 11.091 -9.380 -3.242 1.00 0.00 N ATOM 1708 CA LEU A 111 9.695 -8.972 -3.132 1.00 0.00 C ATOM 1709 C LEU A 111 9.326 -7.990 -4.239 1.00 0.00 C ATOM 1710 O LEU A 111 9.599 -6.793 -4.139 1.00 0.00 O ATOM 1711 CB LEU A 111 9.435 -8.338 -1.765 1.00 0.00 C ATOM 1712 CG LEU A 111 8.130 -7.554 -1.626 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.946 -8.407 -2.056 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.948 -7.069 -0.195 1.00 0.00 C ATOM 0 H LEU A 111 11.757 -8.715 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 111 9.073 -9.861 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.443 -9.127 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.264 -7.669 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 111 8.181 -6.683 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.026 -7.832 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.071 -8.704 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.892 -9.297 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.014 -6.513 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.919 -7.925 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.781 -6.421 0.078 1.00 0.00 H new ATOM 1726 N LEU A 112 8.703 -8.503 -5.294 1.00 0.00 N ATOM 1727 CA LEU A 112 8.293 -7.671 -6.420 1.00 0.00 C ATOM 1728 C LEU A 112 6.773 -7.621 -6.537 1.00 0.00 C ATOM 1729 O LEU A 112 6.063 -8.350 -5.842 1.00 0.00 O ATOM 1730 CB LEU A 112 8.899 -8.203 -7.720 1.00 0.00 C ATOM 1731 CG LEU A 112 10.416 -8.388 -7.728 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.807 -9.565 -8.608 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.106 -7.115 -8.199 1.00 0.00 C ATOM 0 H LEU A 112 8.471 -9.491 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 112 8.658 -6.659 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.435 -9.163 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.632 -7.521 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 112 10.742 -8.599 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.891 -9.680 -8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.343 -10.474 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.468 -9.385 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.186 -7.265 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.774 -6.873 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.853 -6.294 -7.528 1.00 0.00 H new ATOM 1745 N LEU A 113 6.280 -6.760 -7.420 1.00 0.00 N ATOM 1746 CA LEU A 113 4.844 -6.617 -7.629 1.00 0.00 C ATOM 1747 C LEU A 113 4.371 -7.497 -8.782 1.00 0.00 C ATOM 1748 O LEU A 113 4.719 -7.262 -9.939 1.00 0.00 O ATOM 1749 CB LEU A 113 4.493 -5.155 -7.913 1.00 0.00 C ATOM 1750 CG LEU A 113 5.015 -4.132 -6.903 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.869 -2.720 -7.451 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.281 -4.270 -5.577 1.00 0.00 C ATOM 0 H LEU A 113 6.854 -6.150 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 113 4.336 -6.937 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.880 -4.894 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.408 -5.066 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 113 6.074 -4.326 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.245 -2.005 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.439 -2.628 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.818 -2.514 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.665 -3.534 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.215 -4.102 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.436 -5.272 -5.178 1.00 0.00 H new ATOM 1764 N ARG A 114 3.576 -8.511 -8.457 1.00 0.00 N ATOM 1765 CA ARG A 114 3.055 -9.427 -9.465 1.00 0.00 C ATOM 1766 C ARG A 114 1.595 -9.113 -9.781 1.00 0.00 C ATOM 1767 O ARG A 114 1.250 -8.801 -10.921 1.00 0.00 O ATOM 1768 CB ARG A 114 3.184 -10.874 -8.986 1.00 0.00 C ATOM 1769 CG ARG A 114 4.617 -11.378 -8.949 1.00 0.00 C ATOM 1770 CD ARG A 114 4.801 -12.460 -7.897 1.00 0.00 C ATOM 1771 NE ARG A 114 3.873 -13.571 -8.087 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.105 -14.590 -8.908 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.228 -14.637 -9.611 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.212 -15.564 -9.026 1.00 0.00 N ATOM 0 H ARG A 114 3.279 -8.719 -7.504 1.00 0.00 H new ATOM 0 HA ARG A 114 3.642 -9.299 -10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.753 -10.957 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.598 -11.518 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.891 -11.771 -9.928 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.291 -10.547 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.825 -12.832 -7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.654 -12.031 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 114 2.999 -13.565 -7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.917 -13.890 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.403 -15.420 -10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.347 -15.531 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.390 -16.346 -9.656 1.00 0.00 H new ATOM 1788 N HIS A 115 0.743 -9.199 -8.765 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.679 -8.924 -8.935 1.00 0.00 C ATOM 1790 C HIS A 115 -1.189 -7.999 -7.834 1.00 0.00 C ATOM 1791 O HIS A 115 -0.866 -8.158 -6.657 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.477 -10.228 -8.931 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.741 -11.382 -9.541 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.788 -11.677 -10.887 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.063 -12.315 -8.980 1.00 0.00 C ATOM 1796 CE1 HIS A 115 -0.045 -12.742 -11.128 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.483 -13.148 -9.988 1.00 0.00 N ATOM 0 H HIS A 115 1.012 -9.457 -7.816 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.815 -8.427 -9.895 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.743 -10.479 -7.904 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.410 -10.075 -9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.325 -12.390 -7.935 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.105 -13.202 -12.093 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.102 -13.950 -9.874 1.00 0.00 H new ATOM 1806 N PRO A 116 -2.005 -7.007 -8.224 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.576 -6.037 -7.286 1.00 0.00 C ATOM 1808 C PRO A 116 -3.618 -6.664 -6.366 1.00 0.00 C ATOM 1809 O PRO A 116 -3.946 -7.844 -6.496 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.228 -4.998 -8.202 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.526 -5.738 -9.460 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.432 -6.758 -9.611 1.00 0.00 C ATOM 0 HA PRO A 116 -1.820 -5.623 -6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.136 -4.592 -7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.559 -4.157 -8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.503 -6.219 -9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.549 -5.061 -10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.794 -7.668 -10.090 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.612 -6.381 -10.222 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.136 -5.869 -5.437 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.139 -6.347 -4.494 1.00 0.00 C ATOM 1822 C TYR A 117 -6.545 -6.174 -5.060 1.00 0.00 C ATOM 1823 O TYR A 117 -6.793 -5.289 -5.878 1.00 0.00 O ATOM 1824 CB TYR A 117 -5.017 -5.601 -3.164 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.275 -5.648 -2.326 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.789 -6.858 -1.876 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.948 -4.482 -1.982 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.938 -6.905 -1.110 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -8.097 -4.520 -1.215 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.588 -5.734 -0.783 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.732 -5.777 -0.019 1.00 0.00 O ATOM 0 H TYR A 117 -3.877 -4.890 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.963 -7.409 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.193 -6.028 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.762 -4.560 -3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.282 -7.777 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.567 -3.530 -2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.325 -7.854 -0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.607 -3.604 -0.955 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.065 -4.866 0.122 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.464 -7.027 -4.617 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.834 -6.952 -5.089 1.00 0.00 C ATOM 1843 C GLY A 118 -9.003 -7.543 -6.475 1.00 0.00 C ATOM 1844 O GLY A 118 -9.921 -8.328 -6.715 1.00 0.00 O ATOM 0 H GLY A 118 -7.284 -7.768 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.485 -7.479 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.155 -5.910 -5.100 1.00 0.00 H new ATOM 1848 N TYR A 119 -8.118 -7.164 -7.389 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.175 -7.658 -8.760 1.00 0.00 C ATOM 1850 C TYR A 119 -8.077 -9.180 -8.795 1.00 0.00 C ATOM 1851 O TYR A 119 -7.675 -9.811 -7.817 1.00 0.00 O ATOM 1852 CB TYR A 119 -7.050 -7.043 -9.594 1.00 0.00 C ATOM 1853 CG TYR A 119 -7.268 -7.159 -11.085 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -8.083 -6.258 -11.760 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.659 -8.169 -11.820 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -8.286 -6.361 -13.123 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.855 -8.279 -13.183 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.670 -7.373 -13.830 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.868 -7.478 -15.187 1.00 0.00 O ATOM 0 H TYR A 119 -7.352 -6.516 -7.206 1.00 0.00 H new ATOM 0 HA TYR A 119 -9.135 -7.364 -9.185 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.948 -5.990 -9.331 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.109 -7.529 -9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.566 -5.464 -11.210 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.021 -8.881 -11.317 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.923 -5.653 -13.632 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.373 -9.070 -13.739 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.362 -8.243 -15.533 1.00 0.00 H new ATOM 1869 N THR A 120 -8.446 -9.764 -9.931 1.00 0.00 N ATOM 1870 CA THR A 120 -8.400 -11.212 -10.095 1.00 0.00 C ATOM 1871 C THR A 120 -7.458 -11.607 -11.227 1.00 0.00 C ATOM 1872 O THR A 120 -7.533 -11.062 -12.328 1.00 0.00 O ATOM 1873 CB THR A 120 -9.799 -11.789 -10.382 1.00 0.00 C ATOM 1874 OG1 THR A 120 -9.724 -13.212 -10.517 1.00 0.00 O ATOM 1875 CG2 THR A 120 -10.385 -11.184 -11.649 1.00 0.00 C ATOM 0 H THR A 120 -8.780 -9.257 -10.751 1.00 0.00 H new ATOM 0 HA THR A 120 -8.030 -11.625 -9.157 1.00 0.00 H new ATOM 0 HB THR A 120 -10.450 -11.538 -9.544 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.618 -13.571 -10.698 1.00 0.00 H new ATOM 0 HG21 THR A 120 -11.373 -11.607 -11.831 1.00 0.00 H new ATOM 0 HG22 THR A 120 -10.469 -10.104 -11.531 1.00 0.00 H new ATOM 0 HG23 THR A 120 -9.734 -11.407 -12.494 1.00 0.00 H new ATOM 1883 N SER A 121 -6.573 -12.558 -10.948 1.00 0.00 N ATOM 1884 CA SER A 121 -5.613 -13.024 -11.943 1.00 0.00 C ATOM 1885 C SER A 121 -5.699 -14.538 -12.112 1.00 0.00 C ATOM 1886 O SER A 121 -6.160 -15.249 -11.220 1.00 0.00 O ATOM 1887 CB SER A 121 -4.193 -12.624 -11.539 1.00 0.00 C ATOM 1888 OG SER A 121 -3.707 -13.452 -10.497 1.00 0.00 O ATOM 0 H SER A 121 -6.500 -13.021 -10.042 1.00 0.00 H new ATOM 0 HA SER A 121 -5.857 -12.555 -12.896 1.00 0.00 H new ATOM 0 HB2 SER A 121 -3.532 -12.695 -12.403 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.183 -11.583 -11.215 1.00 0.00 H new ATOM 0 HG SER A 121 -2.777 -13.216 -10.299 1.00 0.00 H new ATOM 1894 N GLY A 122 -5.250 -15.025 -13.265 1.00 0.00 N ATOM 1895 CA GLY A 122 -5.284 -16.451 -13.532 1.00 0.00 C ATOM 1896 C GLY A 122 -5.895 -16.774 -14.881 1.00 0.00 C ATOM 1897 O GLY A 122 -6.905 -16.196 -15.283 1.00 0.00 O ATOM 0 H GLY A 122 -4.863 -14.457 -14.019 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.270 -16.849 -13.491 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -5.855 -16.951 -12.749 1.00 0.00 H new ATOM 1901 N PRO A 123 -5.274 -17.717 -15.605 1.00 0.00 N ATOM 1902 CA PRO A 123 -5.745 -18.137 -16.929 1.00 0.00 C ATOM 1903 C PRO A 123 -7.056 -18.914 -16.858 1.00 0.00 C ATOM 1904 O PRO A 123 -7.073 -20.087 -16.486 1.00 0.00 O ATOM 1905 CB PRO A 123 -4.617 -19.036 -17.438 1.00 0.00 C ATOM 1906 CG PRO A 123 -3.955 -19.549 -16.206 1.00 0.00 C ATOM 1907 CD PRO A 123 -4.066 -18.447 -15.188 1.00 0.00 C ATOM 0 HA PRO A 123 -5.954 -17.286 -17.577 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.006 -19.852 -18.047 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.917 -18.479 -18.061 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.441 -20.458 -15.852 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.912 -19.799 -16.399 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.165 -18.842 -14.177 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.186 -17.804 -15.194 1.00 0.00 H new ATOM 1915 N SER A 124 -8.151 -18.252 -17.218 1.00 0.00 N ATOM 1916 CA SER A 124 -9.466 -18.880 -17.193 1.00 0.00 C ATOM 1917 C SER A 124 -10.068 -18.938 -18.593 1.00 0.00 C ATOM 1918 O SER A 124 -10.350 -20.016 -19.116 1.00 0.00 O ATOM 1919 CB SER A 124 -10.402 -18.115 -16.254 1.00 0.00 C ATOM 1920 OG SER A 124 -10.027 -18.297 -14.900 1.00 0.00 O ATOM 0 H SER A 124 -8.153 -17.281 -17.530 1.00 0.00 H new ATOM 0 HA SER A 124 -9.347 -19.899 -16.826 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.381 -17.053 -16.501 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.427 -18.456 -16.400 1.00 0.00 H new ATOM 0 HG SER A 124 -10.639 -17.797 -14.321 1.00 0.00 H new ATOM 1926 N SER A 125 -10.262 -17.769 -19.196 1.00 0.00 N ATOM 1927 CA SER A 125 -10.834 -17.685 -20.535 1.00 0.00 C ATOM 1928 C SER A 125 -9.819 -17.121 -21.524 1.00 0.00 C ATOM 1929 O SER A 125 -9.256 -16.048 -21.310 1.00 0.00 O ATOM 1930 CB SER A 125 -12.090 -16.812 -20.521 1.00 0.00 C ATOM 1931 OG SER A 125 -12.779 -16.890 -21.758 1.00 0.00 O ATOM 0 H SER A 125 -10.032 -16.867 -18.779 1.00 0.00 H new ATOM 0 HA SER A 125 -11.104 -18.692 -20.853 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.749 -17.130 -19.713 1.00 0.00 H new ATOM 0 HB3 SER A 125 -11.815 -15.777 -20.319 1.00 0.00 H new ATOM 0 HG SER A 125 -13.579 -16.325 -21.723 1.00 0.00 H new ATOM 1937 N GLY A 126 -9.591 -17.853 -22.610 1.00 0.00 N ATOM 1938 CA GLY A 126 -8.645 -17.411 -23.618 1.00 0.00 C ATOM 1939 C GLY A 126 -7.323 -16.974 -23.019 1.00 0.00 C ATOM 1940 O GLY A 126 -6.274 -17.535 -23.335 1.00 0.00 O ATOM 0 H GLY A 126 -10.045 -18.744 -22.810 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -8.470 -18.220 -24.327 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -9.077 -16.583 -24.180 1.00 0.00 H new TER 1944 GLY A 126