USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1032 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 35 ASN : amide:sc= -1.55 K(o=-3,f=-16!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= -1.49! C(o=-3!,f=-13!) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= -0.209 USER MOD Set 2.2: A 61 SER OG : rot -28:sc= 1.04 USER MOD Set 2.3: A 64 MET CE :methyl -152:sc= -0.125 (180deg=0) USER MOD Set 3.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 44 THR OG1 : rot -40:sc= 0.41 USER MOD Set 4.1: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 76 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.3) 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -134:sc= -2.42! (180deg=-6.77!) USER MOD Single : A 15 THR OG1 : rot -10:sc= 1.22 USER MOD Single : A 19 HIS : no HE2:sc= -7.91! C(o=-7.9!,f=-12!) USER MOD Single : A 20 ASN : amide:sc= -1.64 X(o=-1.6,f=-2.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00731 X(o=-0.0073,f=0) USER MOD Single : A 36 MET CE :methyl -135:sc= -0.15 (180deg=-0.652) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.471 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 155:sc= -0.71 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.34 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 70 GLN : amide:sc= -0.0115 K(o=-0.011,f=-0.84) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -2.99 K(o=-3,f=-16!) USER MOD Single : A 83 CYS SG : rot -122:sc= -0.18 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 174:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 114 LYS NZ :NH3+ -145:sc= 0.0362 (180deg=-0.946!) USER MOD Single : A 115 TYR OH : rot 21:sc= -0.568 USER MOD Single : A 117 LYS NZ :NH3+ 148:sc= -0.893 (180deg=-2.27!) USER MOD Single : A 118 LYS NZ :NH3+ 163:sc= -0.0119 (180deg=-0.446) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.149 K(o=-0.15,f=-2) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0.0285 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.910 -29.899 8.897 1.00 0.00 N ATOM 2 CA GLY A 1 9.048 -30.328 7.811 1.00 0.00 C ATOM 3 C GLY A 1 7.669 -30.732 8.292 1.00 0.00 C ATOM 4 O GLY A 1 7.382 -31.919 8.449 1.00 0.00 O ATOM 0 H1 GLY A 1 10.841 -29.633 8.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.484 -29.079 9.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.023 -30.677 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.954 -29.521 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.510 -31.169 7.295 1.00 0.00 H new ATOM 8 N SER A 2 6.812 -29.743 8.527 1.00 0.00 N ATOM 9 CA SER A 2 5.456 -30.002 8.997 1.00 0.00 C ATOM 10 C SER A 2 4.482 -30.087 7.827 1.00 0.00 C ATOM 11 O SER A 2 4.798 -29.675 6.711 1.00 0.00 O ATOM 12 CB SER A 2 5.012 -28.904 9.966 1.00 0.00 C ATOM 13 OG SER A 2 5.435 -29.190 11.288 1.00 0.00 O ATOM 0 H SER A 2 7.033 -28.755 8.400 1.00 0.00 H new ATOM 0 HA SER A 2 5.455 -30.960 9.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.423 -27.946 9.648 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.926 -28.809 9.941 1.00 0.00 H new ATOM 0 HG SER A 2 5.141 -28.473 11.888 1.00 0.00 H new ATOM 19 N SER A 3 3.295 -30.625 8.091 1.00 0.00 N ATOM 20 CA SER A 3 2.275 -30.769 7.059 1.00 0.00 C ATOM 21 C SER A 3 1.928 -29.416 6.445 1.00 0.00 C ATOM 22 O SER A 3 2.060 -29.217 5.238 1.00 0.00 O ATOM 23 CB SER A 3 1.016 -31.414 7.643 1.00 0.00 C ATOM 24 OG SER A 3 1.158 -32.821 7.731 1.00 0.00 O ATOM 0 H SER A 3 3.016 -30.968 9.010 1.00 0.00 H new ATOM 0 HA SER A 3 2.675 -31.412 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.819 -31.003 8.633 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.156 -31.170 7.019 1.00 0.00 H new ATOM 0 HG SER A 3 0.341 -33.209 8.109 1.00 0.00 H new ATOM 30 N GLY A 4 1.485 -28.487 7.287 1.00 0.00 N ATOM 31 CA GLY A 4 1.126 -27.164 6.810 1.00 0.00 C ATOM 32 C GLY A 4 1.827 -26.061 7.579 1.00 0.00 C ATOM 33 O GLY A 4 2.988 -26.203 7.962 1.00 0.00 O ATOM 0 H GLY A 4 1.368 -28.627 8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.377 -27.082 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.047 -27.032 6.893 1.00 0.00 H new ATOM 37 N SER A 5 1.120 -24.958 7.803 1.00 0.00 N ATOM 38 CA SER A 5 1.684 -23.824 8.526 1.00 0.00 C ATOM 39 C SER A 5 2.764 -23.134 7.698 1.00 0.00 C ATOM 40 O SER A 5 3.768 -22.666 8.235 1.00 0.00 O ATOM 41 CB SER A 5 2.266 -24.283 9.864 1.00 0.00 C ATOM 42 OG SER A 5 2.265 -23.227 10.809 1.00 0.00 O ATOM 0 H SER A 5 0.157 -24.825 7.495 1.00 0.00 H new ATOM 0 HA SER A 5 0.882 -23.109 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.684 -25.121 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.284 -24.643 9.717 1.00 0.00 H new ATOM 0 HG SER A 5 2.640 -23.546 11.656 1.00 0.00 H new ATOM 48 N SER A 6 2.550 -23.077 6.388 1.00 0.00 N ATOM 49 CA SER A 6 3.507 -22.449 5.484 1.00 0.00 C ATOM 50 C SER A 6 2.978 -21.109 4.979 1.00 0.00 C ATOM 51 O SER A 6 1.938 -21.046 4.326 1.00 0.00 O ATOM 52 CB SER A 6 3.803 -23.372 4.300 1.00 0.00 C ATOM 53 OG SER A 6 4.155 -24.671 4.742 1.00 0.00 O ATOM 0 H SER A 6 1.723 -23.458 5.928 1.00 0.00 H new ATOM 0 HA SER A 6 4.430 -22.271 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.928 -23.429 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.615 -22.955 3.704 1.00 0.00 H new ATOM 0 HG SER A 6 4.338 -25.242 3.967 1.00 0.00 H new ATOM 59 N GLY A 7 3.705 -20.040 5.288 1.00 0.00 N ATOM 60 CA GLY A 7 3.295 -18.715 4.859 1.00 0.00 C ATOM 61 C GLY A 7 2.477 -17.992 5.911 1.00 0.00 C ATOM 62 O GLY A 7 2.750 -16.835 6.232 1.00 0.00 O ATOM 0 H GLY A 7 4.570 -20.067 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.179 -18.124 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.711 -18.798 3.942 1.00 0.00 H new ATOM 66 N LEU A 8 1.471 -18.674 6.447 1.00 0.00 N ATOM 67 CA LEU A 8 0.609 -18.089 7.469 1.00 0.00 C ATOM 68 C LEU A 8 1.422 -17.655 8.684 1.00 0.00 C ATOM 69 O LEU A 8 1.291 -16.528 9.162 1.00 0.00 O ATOM 70 CB LEU A 8 -0.466 -19.091 7.891 1.00 0.00 C ATOM 71 CG LEU A 8 -1.743 -19.100 7.050 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.591 -20.032 5.859 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.938 -19.507 7.900 1.00 0.00 C ATOM 0 H LEU A 8 1.232 -19.632 6.191 1.00 0.00 H new ATOM 0 HA LEU A 8 0.129 -17.208 7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.032 -20.091 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.738 -18.887 8.926 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.916 -18.091 6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.510 -20.025 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.761 -19.696 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.393 -21.044 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.838 -19.508 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.774 -20.506 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.059 -18.799 8.720 1.00 0.00 H new ATOM 85 N LYS A 9 2.264 -18.556 9.178 1.00 0.00 N ATOM 86 CA LYS A 9 3.102 -18.267 10.336 1.00 0.00 C ATOM 87 C LYS A 9 3.721 -16.877 10.226 1.00 0.00 C ATOM 88 O LYS A 9 3.711 -16.105 11.184 1.00 0.00 O ATOM 89 CB LYS A 9 4.206 -19.319 10.469 1.00 0.00 C ATOM 90 CG LYS A 9 5.156 -19.062 11.625 1.00 0.00 C ATOM 91 CD LYS A 9 4.632 -19.660 12.920 1.00 0.00 C ATOM 92 CE LYS A 9 3.714 -18.692 13.650 1.00 0.00 C ATOM 93 NZ LYS A 9 3.662 -18.971 15.112 1.00 0.00 N ATOM 0 H LYS A 9 2.384 -19.493 8.794 1.00 0.00 H new ATOM 0 HA LYS A 9 2.472 -18.296 11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.748 -20.300 10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.777 -19.353 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.133 -19.487 11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.297 -17.988 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.092 -20.582 12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.470 -19.925 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.060 -17.671 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.710 -18.759 13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.026 -18.290 15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.308 -19.936 15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.616 -18.882 15.516 1.00 0.00 H new ATOM 107 N MET A 10 4.259 -16.565 9.051 1.00 0.00 N ATOM 108 CA MET A 10 4.880 -15.267 8.816 1.00 0.00 C ATOM 109 C MET A 10 3.871 -14.139 9.008 1.00 0.00 C ATOM 110 O MET A 10 4.165 -13.132 9.654 1.00 0.00 O ATOM 111 CB MET A 10 5.467 -15.206 7.404 1.00 0.00 C ATOM 112 CG MET A 10 6.515 -16.274 7.136 1.00 0.00 C ATOM 113 SD MET A 10 8.159 -15.790 7.697 1.00 0.00 S ATOM 114 CE MET A 10 8.703 -14.782 6.321 1.00 0.00 C ATOM 0 H MET A 10 4.277 -17.193 8.248 1.00 0.00 H new ATOM 0 HA MET A 10 5.683 -15.140 9.542 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.660 -15.310 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.912 -14.224 7.246 1.00 0.00 H new ATOM 0 HG2 MET A 10 6.222 -17.198 7.635 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.548 -16.485 6.067 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.707 -14.408 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.712 -15.382 5.411 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.021 -13.941 6.194 1.00 0.00 H new ATOM 124 N LEU A 11 2.681 -14.313 8.444 1.00 0.00 N ATOM 125 CA LEU A 11 1.628 -13.309 8.553 1.00 0.00 C ATOM 126 C LEU A 11 1.586 -12.714 9.957 1.00 0.00 C ATOM 127 O LEU A 11 1.791 -11.514 10.140 1.00 0.00 O ATOM 128 CB LEU A 11 0.271 -13.925 8.207 1.00 0.00 C ATOM 129 CG LEU A 11 -0.793 -12.956 7.689 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.056 -11.858 8.708 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.367 -12.359 6.356 1.00 0.00 C ATOM 0 H LEU A 11 2.421 -15.140 7.906 1.00 0.00 H new ATOM 0 HA LEU A 11 1.848 -12.509 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.427 -14.698 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.119 -14.419 9.097 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.719 -13.511 7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.816 -11.178 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.406 -12.302 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.135 -11.305 8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.136 -11.672 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.571 -11.819 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.231 -13.157 5.627 1.00 0.00 H new ATOM 143 N ARG A 12 1.322 -13.562 10.946 1.00 0.00 N ATOM 144 CA ARG A 12 1.255 -13.121 12.334 1.00 0.00 C ATOM 145 C ARG A 12 2.391 -12.153 12.652 1.00 0.00 C ATOM 146 O ARG A 12 2.167 -11.081 13.214 1.00 0.00 O ATOM 147 CB ARG A 12 1.315 -14.324 13.277 1.00 0.00 C ATOM 148 CG ARG A 12 0.593 -14.100 14.596 1.00 0.00 C ATOM 149 CD ARG A 12 1.516 -13.498 15.642 1.00 0.00 C ATOM 150 NE ARG A 12 2.619 -14.394 15.981 1.00 0.00 N ATOM 151 CZ ARG A 12 3.394 -14.235 17.048 1.00 0.00 C ATOM 152 NH1 ARG A 12 3.188 -13.220 17.875 1.00 0.00 N ATOM 153 NH2 ARG A 12 4.377 -15.093 17.288 1.00 0.00 N ATOM 0 H ARG A 12 1.151 -14.559 10.812 1.00 0.00 H new ATOM 0 HA ARG A 12 0.308 -12.602 12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.880 -15.189 12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.359 -14.564 13.480 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.259 -13.439 14.438 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.197 -15.048 14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.917 -12.554 15.272 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.944 -13.270 16.542 1.00 0.00 H new ATOM 0 HE ARG A 12 2.804 -15.185 15.364 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.433 -12.559 17.693 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.784 -13.100 18.694 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.538 -15.875 16.653 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.972 -14.971 18.107 1.00 0.00 H new ATOM 167 N ASP A 13 3.609 -12.540 12.290 1.00 0.00 N ATOM 168 CA ASP A 13 4.780 -11.707 12.537 1.00 0.00 C ATOM 169 C ASP A 13 4.634 -10.349 11.856 1.00 0.00 C ATOM 170 O ASP A 13 4.958 -9.314 12.439 1.00 0.00 O ATOM 171 CB ASP A 13 6.045 -12.408 12.038 1.00 0.00 C ATOM 172 CG ASP A 13 6.570 -13.428 13.029 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.376 -13.046 13.903 1.00 0.00 O ATOM 174 OD2 ASP A 13 6.176 -14.609 12.929 1.00 0.00 O ATOM 0 H ASP A 13 3.811 -13.425 11.825 1.00 0.00 H new ATOM 0 HA ASP A 13 4.862 -11.548 13.612 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.833 -12.902 11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.817 -11.663 11.844 1.00 0.00 H new ATOM 179 N MET A 14 4.146 -10.362 10.620 1.00 0.00 N ATOM 180 CA MET A 14 3.957 -9.131 9.861 1.00 0.00 C ATOM 181 C MET A 14 2.997 -8.190 10.581 1.00 0.00 C ATOM 182 O MET A 14 3.289 -7.007 10.763 1.00 0.00 O ATOM 183 CB MET A 14 3.427 -9.446 8.461 1.00 0.00 C ATOM 184 CG MET A 14 4.521 -9.751 7.451 1.00 0.00 C ATOM 185 SD MET A 14 4.039 -9.345 5.762 1.00 0.00 S ATOM 186 CE MET A 14 3.050 -10.778 5.338 1.00 0.00 C ATOM 0 H MET A 14 3.874 -11.210 10.123 1.00 0.00 H new ATOM 0 HA MET A 14 4.924 -8.636 9.773 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.751 -10.299 8.521 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.841 -8.599 8.104 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.419 -9.191 7.713 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.777 -10.809 7.507 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.335 -11.137 4.349 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.218 -11.566 6.072 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.995 -10.504 5.335 1.00 0.00 H new ATOM 196 N THR A 15 1.849 -8.721 10.991 1.00 0.00 N ATOM 197 CA THR A 15 0.846 -7.928 11.689 1.00 0.00 C ATOM 198 C THR A 15 1.390 -7.391 13.008 1.00 0.00 C ATOM 199 O THR A 15 0.802 -6.498 13.616 1.00 0.00 O ATOM 200 CB THR A 15 -0.425 -8.752 11.970 1.00 0.00 C ATOM 201 OG1 THR A 15 -0.115 -9.857 12.825 1.00 0.00 O ATOM 202 CG2 THR A 15 -1.036 -9.263 10.673 1.00 0.00 C ATOM 0 H THR A 15 1.591 -9.698 10.851 1.00 0.00 H new ATOM 0 HA THR A 15 0.593 -7.093 11.036 1.00 0.00 H new ATOM 0 HB THR A 15 -1.149 -8.104 12.464 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.857 -9.939 12.914 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.932 -9.842 10.896 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.299 -8.418 10.037 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.315 -9.896 10.156 1.00 0.00 H new ATOM 210 N GLY A 16 2.520 -7.940 13.445 1.00 0.00 N ATOM 211 CA GLY A 16 3.125 -7.502 14.689 1.00 0.00 C ATOM 212 C GLY A 16 4.001 -6.278 14.508 1.00 0.00 C ATOM 213 O GLY A 16 4.231 -5.525 15.456 1.00 0.00 O ATOM 0 H GLY A 16 3.027 -8.680 12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.341 -7.280 15.413 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.722 -8.314 15.105 1.00 0.00 H new ATOM 217 N LEU A 17 4.491 -6.078 13.290 1.00 0.00 N ATOM 218 CA LEU A 17 5.348 -4.936 12.988 1.00 0.00 C ATOM 219 C LEU A 17 4.750 -3.646 13.540 1.00 0.00 C ATOM 220 O LEU A 17 3.535 -3.505 13.679 1.00 0.00 O ATOM 221 CB LEU A 17 5.552 -4.812 11.477 1.00 0.00 C ATOM 222 CG LEU A 17 6.385 -5.913 10.820 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.181 -5.909 9.313 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.858 -5.743 11.161 1.00 0.00 C ATOM 0 H LEU A 17 4.310 -6.691 12.495 1.00 0.00 H new ATOM 0 HA LEU A 17 6.314 -5.101 13.466 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.573 -4.791 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.028 -3.853 11.272 1.00 0.00 H new ATOM 0 HG LEU A 17 6.052 -6.875 11.209 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.782 -6.699 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.128 -6.080 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.487 -4.945 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.435 -6.535 10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.205 -4.775 10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.990 -5.797 12.242 1.00 0.00 H new ATOM 236 N PRO A 18 5.623 -2.679 13.859 1.00 0.00 N ATOM 237 CA PRO A 18 5.204 -1.381 14.398 1.00 0.00 C ATOM 238 C PRO A 18 4.488 -0.526 13.359 1.00 0.00 C ATOM 239 O PRO A 18 3.794 0.432 13.700 1.00 0.00 O ATOM 240 CB PRO A 18 6.525 -0.726 14.811 1.00 0.00 C ATOM 241 CG PRO A 18 7.553 -1.366 13.943 1.00 0.00 C ATOM 242 CD PRO A 18 7.086 -2.777 13.719 1.00 0.00 C ATOM 0 HA PRO A 18 4.492 -1.490 15.216 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.496 0.353 14.660 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.738 -0.895 15.867 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.652 -0.833 12.997 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.532 -1.350 14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.372 -3.143 12.733 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.514 -3.463 14.450 1.00 0.00 H new ATOM 250 N HIS A 19 4.659 -0.879 12.089 1.00 0.00 N ATOM 251 CA HIS A 19 4.027 -0.143 10.999 1.00 0.00 C ATOM 252 C HIS A 19 2.748 -0.839 10.544 1.00 0.00 C ATOM 253 O HIS A 19 2.088 -0.394 9.607 1.00 0.00 O ATOM 254 CB HIS A 19 4.993 -0.005 9.821 1.00 0.00 C ATOM 255 CG HIS A 19 5.913 -1.176 9.661 1.00 0.00 C ATOM 256 ND1 HIS A 19 7.165 -1.233 10.236 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.757 -2.339 8.987 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.740 -2.380 9.921 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.906 -3.070 9.164 1.00 0.00 N ATOM 0 H HIS A 19 5.229 -1.670 11.789 1.00 0.00 H new ATOM 0 HA HIS A 19 3.769 0.850 11.366 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.418 0.123 8.904 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.588 0.899 9.953 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.582 -0.504 10.814 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.890 -2.637 8.416 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.724 -2.699 10.230 1.00 0.00 H new ATOM 267 N ASN A 20 2.405 -1.933 11.216 1.00 0.00 N ATOM 268 CA ASN A 20 1.205 -2.691 10.880 1.00 0.00 C ATOM 269 C ASN A 20 0.342 -2.921 12.117 1.00 0.00 C ATOM 270 O ASN A 20 -0.592 -3.723 12.095 1.00 0.00 O ATOM 271 CB ASN A 20 1.584 -4.034 10.253 1.00 0.00 C ATOM 272 CG ASN A 20 2.066 -3.889 8.822 1.00 0.00 C ATOM 273 OD1 ASN A 20 1.850 -2.858 8.184 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.723 -4.924 8.311 1.00 0.00 N ATOM 0 H ASN A 20 2.940 -2.314 11.996 1.00 0.00 H new ATOM 0 HA ASN A 20 0.629 -2.110 10.160 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.365 -4.503 10.851 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.721 -4.700 10.277 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.071 -4.884 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.879 -5.758 8.876 1.00 0.00 H new ATOM 281 N ARG A 21 0.661 -2.211 13.194 1.00 0.00 N ATOM 282 CA ARG A 21 -0.084 -2.337 14.441 1.00 0.00 C ATOM 283 C ARG A 21 -1.511 -1.820 14.276 1.00 0.00 C ATOM 284 O ARG A 21 -2.428 -2.268 14.964 1.00 0.00 O ATOM 285 CB ARG A 21 0.621 -1.571 15.561 1.00 0.00 C ATOM 286 CG ARG A 21 2.021 -2.082 15.861 1.00 0.00 C ATOM 287 CD ARG A 21 2.007 -3.554 16.242 1.00 0.00 C ATOM 288 NE ARG A 21 3.089 -3.891 17.164 1.00 0.00 N ATOM 289 CZ ARG A 21 3.081 -3.573 18.453 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.053 -2.915 18.971 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.102 -3.915 19.228 1.00 0.00 N ATOM 0 H ARG A 21 1.431 -1.542 13.228 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.127 -3.394 14.704 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.679 -0.517 15.288 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.019 -1.633 16.467 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.657 -1.937 14.988 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.456 -1.499 16.673 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.050 -3.801 16.701 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.095 -4.162 15.342 1.00 0.00 H new ATOM 0 HE ARG A 21 3.894 -4.398 16.797 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.265 -2.652 18.379 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.050 -2.672 19.962 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.894 -4.423 18.834 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.095 -3.670 20.218 1.00 0.00 H new ATOM 305 N LYS A 22 -1.690 -0.874 13.360 1.00 0.00 N ATOM 306 CA LYS A 22 -3.003 -0.296 13.104 1.00 0.00 C ATOM 307 C LYS A 22 -3.301 -0.265 11.608 1.00 0.00 C ATOM 308 O LYS A 22 -2.419 -0.506 10.783 1.00 0.00 O ATOM 309 CB LYS A 22 -3.081 1.120 13.679 1.00 0.00 C ATOM 310 CG LYS A 22 -2.632 1.213 15.127 1.00 0.00 C ATOM 311 CD LYS A 22 -2.307 2.645 15.519 1.00 0.00 C ATOM 312 CE LYS A 22 -2.080 2.774 17.018 1.00 0.00 C ATOM 313 NZ LYS A 22 -0.688 2.412 17.401 1.00 0.00 N ATOM 0 H LYS A 22 -0.941 -0.492 12.782 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.749 -0.922 13.593 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.465 1.784 13.073 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.107 1.479 13.602 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.416 0.826 15.778 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.754 0.585 15.278 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.416 2.976 14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.123 3.301 15.216 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.288 3.797 17.330 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.782 2.130 17.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.574 2.513 18.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.497 1.427 17.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.019 3.043 16.915 1.00 0.00 H new ATOM 327 N CYS A 23 -4.549 0.034 11.264 1.00 0.00 N ATOM 328 CA CYS A 23 -4.964 0.098 9.868 1.00 0.00 C ATOM 329 C CYS A 23 -4.106 1.092 9.090 1.00 0.00 C ATOM 330 O CYS A 23 -3.285 1.805 9.668 1.00 0.00 O ATOM 331 CB CYS A 23 -6.438 0.495 9.770 1.00 0.00 C ATOM 332 SG CYS A 23 -7.269 -0.098 8.260 1.00 0.00 S ATOM 0 H CYS A 23 -5.291 0.236 11.934 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.831 -0.891 9.430 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.967 0.105 10.640 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.514 1.582 9.811 1.00 0.00 H new ATOM 337 N PHE A 24 -4.302 1.134 7.777 1.00 0.00 N ATOM 338 CA PHE A 24 -3.546 2.039 6.919 1.00 0.00 C ATOM 339 C PHE A 24 -4.336 3.315 6.646 1.00 0.00 C ATOM 340 O PHE A 24 -3.764 4.351 6.303 1.00 0.00 O ATOM 341 CB PHE A 24 -3.194 1.350 5.599 1.00 0.00 C ATOM 342 CG PHE A 24 -2.423 2.226 4.653 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.041 3.284 4.007 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.079 1.990 4.410 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.334 4.092 3.136 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.367 2.795 3.541 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.996 3.846 2.902 1.00 0.00 C ATOM 0 H PHE A 24 -4.978 0.552 7.283 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.625 2.307 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.610 0.454 5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.113 1.024 5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.088 3.480 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.583 1.168 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.828 4.914 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.680 2.603 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.442 4.474 2.220 1.00 0.00 H new ATOM 357 N ASP A 25 -5.653 3.233 6.798 1.00 0.00 N ATOM 358 CA ASP A 25 -6.523 4.381 6.569 1.00 0.00 C ATOM 359 C ASP A 25 -7.092 4.903 7.884 1.00 0.00 C ATOM 360 O ASP A 25 -6.748 5.998 8.331 1.00 0.00 O ATOM 361 CB ASP A 25 -7.661 4.003 5.620 1.00 0.00 C ATOM 362 CG ASP A 25 -7.252 2.943 4.617 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.304 3.192 3.843 1.00 0.00 O ATOM 364 OD2 ASP A 25 -7.878 1.862 4.607 1.00 0.00 O ATOM 0 H ASP A 25 -6.142 2.383 7.079 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.928 5.172 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.509 3.641 6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.996 4.893 5.087 1.00 0.00 H new ATOM 369 N CYS A 26 -7.966 4.113 8.500 1.00 0.00 N ATOM 370 CA CYS A 26 -8.585 4.495 9.763 1.00 0.00 C ATOM 371 C CYS A 26 -7.589 4.380 10.914 1.00 0.00 C ATOM 372 O CYS A 26 -7.869 4.803 12.035 1.00 0.00 O ATOM 373 CB CYS A 26 -9.808 3.619 10.042 1.00 0.00 C ATOM 374 SG CYS A 26 -9.405 1.892 10.459 1.00 0.00 S ATOM 0 H CYS A 26 -8.261 3.204 8.144 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.902 5.535 9.683 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.376 4.057 10.863 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.456 3.628 9.166 1.00 0.00 H new ATOM 379 N ASP A 27 -6.427 3.803 10.627 1.00 0.00 N ATOM 380 CA ASP A 27 -5.389 3.632 11.637 1.00 0.00 C ATOM 381 C ASP A 27 -5.942 2.927 12.871 1.00 0.00 C ATOM 382 O ASP A 27 -5.616 3.288 14.001 1.00 0.00 O ATOM 383 CB ASP A 27 -4.802 4.989 12.030 1.00 0.00 C ATOM 384 CG ASP A 27 -3.808 5.507 11.009 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.971 5.197 9.810 1.00 0.00 O ATOM 386 OD2 ASP A 27 -2.866 6.224 11.409 1.00 0.00 O ATOM 0 H ASP A 27 -6.180 3.446 9.704 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.600 3.013 11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.610 5.712 12.145 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.311 4.902 12.999 1.00 0.00 H new ATOM 391 N GLN A 28 -6.781 1.921 12.645 1.00 0.00 N ATOM 392 CA GLN A 28 -7.380 1.167 13.740 1.00 0.00 C ATOM 393 C GLN A 28 -6.515 -0.032 14.113 1.00 0.00 C ATOM 394 O GLN A 28 -6.029 -0.754 13.243 1.00 0.00 O ATOM 395 CB GLN A 28 -8.784 0.697 13.354 1.00 0.00 C ATOM 396 CG GLN A 28 -9.526 0.003 14.486 1.00 0.00 C ATOM 397 CD GLN A 28 -10.833 -0.617 14.033 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.909 -0.227 14.488 1.00 0.00 O ATOM 399 NE2 GLN A 28 -10.747 -1.588 13.132 1.00 0.00 N ATOM 0 H GLN A 28 -7.061 1.610 11.715 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.449 1.825 14.606 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.367 1.556 13.021 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.710 0.015 12.507 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.889 -0.772 14.912 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.726 0.723 15.280 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.834 -1.880 12.782 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.594 -2.042 12.790 1.00 0.00 H new ATOM 408 N ARG A 29 -6.326 -0.237 15.412 1.00 0.00 N ATOM 409 CA ARG A 29 -5.517 -1.347 15.901 1.00 0.00 C ATOM 410 C ARG A 29 -6.215 -2.681 15.649 1.00 0.00 C ATOM 411 O ARG A 29 -7.441 -2.769 15.692 1.00 0.00 O ATOM 412 CB ARG A 29 -5.234 -1.182 17.395 1.00 0.00 C ATOM 413 CG ARG A 29 -6.456 -1.398 18.274 1.00 0.00 C ATOM 414 CD ARG A 29 -6.081 -2.040 19.600 1.00 0.00 C ATOM 415 NE ARG A 29 -5.143 -3.146 19.428 1.00 0.00 N ATOM 416 CZ ARG A 29 -4.395 -3.635 20.410 1.00 0.00 C ATOM 417 NH1 ARG A 29 -4.474 -3.118 21.629 1.00 0.00 N ATOM 418 NH2 ARG A 29 -3.564 -4.643 20.175 1.00 0.00 N ATOM 0 H ARG A 29 -6.722 0.351 16.145 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.572 -1.342 15.357 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.456 -1.887 17.689 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.841 -0.181 17.573 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.947 -0.442 18.457 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.174 -2.031 17.752 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.639 -1.288 20.254 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.982 -2.403 20.095 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.058 -3.566 18.502 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.111 -2.343 21.814 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.898 -3.496 22.381 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.499 -5.043 19.239 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.990 -5.018 20.930 1.00 0.00 H new ATOM 432 N GLY A 30 -5.424 -3.717 15.385 1.00 0.00 N ATOM 433 CA GLY A 30 -5.984 -5.031 15.130 1.00 0.00 C ATOM 434 C GLY A 30 -6.470 -5.186 13.703 1.00 0.00 C ATOM 435 O GLY A 30 -7.632 -5.509 13.452 1.00 0.00 O ATOM 0 H GLY A 30 -4.406 -3.669 15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.231 -5.791 15.339 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.813 -5.208 15.815 1.00 0.00 H new ATOM 439 N PRO A 31 -5.569 -4.952 12.737 1.00 0.00 N ATOM 440 CA PRO A 31 -5.891 -5.060 11.311 1.00 0.00 C ATOM 441 C PRO A 31 -6.125 -6.504 10.878 1.00 0.00 C ATOM 442 O PRO A 31 -5.236 -7.349 10.990 1.00 0.00 O ATOM 443 CB PRO A 31 -4.648 -4.491 10.623 1.00 0.00 C ATOM 444 CG PRO A 31 -3.544 -4.699 11.602 1.00 0.00 C ATOM 445 CD PRO A 31 -4.167 -4.564 12.963 1.00 0.00 C ATOM 0 HA PRO A 31 -6.812 -4.534 11.060 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.446 -5.005 9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.775 -3.434 10.388 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.091 -5.682 11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.753 -3.963 11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.683 -5.213 13.693 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.088 -3.545 13.342 1.00 0.00 H new ATOM 453 N THR A 32 -7.327 -6.780 10.381 1.00 0.00 N ATOM 454 CA THR A 32 -7.678 -8.121 9.931 1.00 0.00 C ATOM 455 C THR A 32 -7.854 -8.165 8.418 1.00 0.00 C ATOM 456 O THR A 32 -8.607 -8.987 7.895 1.00 0.00 O ATOM 457 CB THR A 32 -8.972 -8.618 10.603 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.075 -7.792 10.212 1.00 0.00 O ATOM 459 CG2 THR A 32 -8.835 -8.607 12.118 1.00 0.00 C ATOM 0 H THR A 32 -8.074 -6.092 10.280 1.00 0.00 H new ATOM 0 HA THR A 32 -6.855 -8.776 10.217 1.00 0.00 H new ATOM 0 HB THR A 32 -9.153 -9.643 10.279 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.894 -8.115 10.642 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.761 -8.962 12.570 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.014 -9.260 12.414 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.632 -7.591 12.458 1.00 0.00 H new ATOM 467 N TYR A 33 -7.156 -7.276 7.720 1.00 0.00 N ATOM 468 CA TYR A 33 -7.238 -7.213 6.265 1.00 0.00 C ATOM 469 C TYR A 33 -5.931 -6.701 5.668 1.00 0.00 C ATOM 470 O TYR A 33 -5.158 -6.011 6.334 1.00 0.00 O ATOM 471 CB TYR A 33 -8.395 -6.309 5.837 1.00 0.00 C ATOM 472 CG TYR A 33 -9.710 -7.040 5.684 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.483 -7.360 6.794 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.179 -7.413 4.431 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.684 -8.029 6.659 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.379 -8.080 4.286 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.128 -8.386 5.403 1.00 0.00 C ATOM 478 OH TYR A 33 -13.324 -9.052 5.264 1.00 0.00 O ATOM 0 H TYR A 33 -6.528 -6.590 8.137 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.417 -8.222 5.893 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.515 -5.513 6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.142 -5.832 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.139 -7.081 7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.594 -7.177 3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.272 -8.271 7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.729 -8.361 3.304 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.491 -9.229 4.315 1.00 0.00 H new ATOM 488 N VAL A 34 -5.690 -7.043 4.407 1.00 0.00 N ATOM 489 CA VAL A 34 -4.477 -6.618 3.717 1.00 0.00 C ATOM 490 C VAL A 34 -4.755 -6.325 2.247 1.00 0.00 C ATOM 491 O VAL A 34 -5.435 -7.094 1.568 1.00 0.00 O ATOM 492 CB VAL A 34 -3.371 -7.685 3.817 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.773 -7.706 5.215 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.917 -9.054 3.441 1.00 0.00 C ATOM 0 H VAL A 34 -6.319 -7.613 3.842 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.137 -5.706 4.208 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.579 -7.429 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.993 -8.466 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.344 -6.730 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.553 -7.937 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.122 -9.796 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.728 -9.321 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.292 -9.028 2.418 1.00 0.00 H new ATOM 504 N ASN A 35 -4.224 -5.208 1.761 1.00 0.00 N ATOM 505 CA ASN A 35 -4.415 -4.813 0.370 1.00 0.00 C ATOM 506 C ASN A 35 -3.386 -5.487 -0.533 1.00 0.00 C ATOM 507 O ASN A 35 -2.187 -5.236 -0.419 1.00 0.00 O ATOM 508 CB ASN A 35 -4.313 -3.293 0.231 1.00 0.00 C ATOM 509 CG ASN A 35 -4.897 -2.791 -1.075 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.613 -3.333 -2.144 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.718 -1.750 -0.996 1.00 0.00 N ATOM 0 H ASN A 35 -3.658 -4.560 2.309 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.410 -5.134 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.832 -2.819 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.267 -2.994 0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.141 -1.369 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.926 -1.332 -0.089 1.00 0.00 H new ATOM 518 N MET A 36 -3.864 -6.343 -1.429 1.00 0.00 N ATOM 519 CA MET A 36 -2.986 -7.052 -2.353 1.00 0.00 C ATOM 520 C MET A 36 -2.464 -6.113 -3.435 1.00 0.00 C ATOM 521 O MET A 36 -1.369 -6.306 -3.964 1.00 0.00 O ATOM 522 CB MET A 36 -3.727 -8.226 -2.995 1.00 0.00 C ATOM 523 CG MET A 36 -3.703 -9.493 -2.155 1.00 0.00 C ATOM 524 SD MET A 36 -2.270 -10.530 -2.503 1.00 0.00 S ATOM 525 CE MET A 36 -1.253 -10.196 -1.067 1.00 0.00 C ATOM 0 H MET A 36 -4.854 -6.563 -1.535 1.00 0.00 H new ATOM 0 HA MET A 36 -2.136 -7.434 -1.787 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.763 -7.937 -3.173 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.283 -8.437 -3.968 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.704 -9.224 -1.099 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.613 -10.064 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.223 -10.027 -1.382 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.626 -9.309 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.290 -11.048 -0.389 1.00 0.00 H new ATOM 535 N THR A 37 -3.254 -5.094 -3.761 1.00 0.00 N ATOM 536 CA THR A 37 -2.871 -4.126 -4.780 1.00 0.00 C ATOM 537 C THR A 37 -1.816 -3.160 -4.254 1.00 0.00 C ATOM 538 O THR A 37 -0.726 -3.048 -4.815 1.00 0.00 O ATOM 539 CB THR A 37 -4.088 -3.320 -5.274 1.00 0.00 C ATOM 540 OG1 THR A 37 -4.943 -4.157 -6.061 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.644 -2.122 -6.100 1.00 0.00 C ATOM 0 H THR A 37 -4.163 -4.919 -3.333 1.00 0.00 H new ATOM 0 HA THR A 37 -2.456 -4.693 -5.614 1.00 0.00 H new ATOM 0 HB THR A 37 -4.635 -2.959 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.715 -3.638 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.520 -1.568 -6.438 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.017 -1.472 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.077 -2.466 -6.965 1.00 0.00 H new ATOM 549 N VAL A 38 -2.146 -2.464 -3.170 1.00 0.00 N ATOM 550 CA VAL A 38 -1.226 -1.508 -2.566 1.00 0.00 C ATOM 551 C VAL A 38 -0.152 -2.219 -1.751 1.00 0.00 C ATOM 552 O VAL A 38 0.972 -1.734 -1.627 1.00 0.00 O ATOM 553 CB VAL A 38 -1.969 -0.511 -1.657 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.051 0.636 -1.260 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.219 0.010 -2.349 1.00 0.00 C ATOM 0 H VAL A 38 -3.044 -2.545 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.756 -0.962 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.274 -1.031 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.593 1.330 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.189 0.242 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.713 1.158 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.732 0.713 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.939 0.515 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.883 -0.824 -2.577 1.00 0.00 H new ATOM 565 N GLY A 39 -0.506 -3.375 -1.196 1.00 0.00 N ATOM 566 CA GLY A 39 0.439 -4.135 -0.399 1.00 0.00 C ATOM 567 C GLY A 39 0.537 -3.627 1.026 1.00 0.00 C ATOM 568 O GLY A 39 1.610 -3.655 1.629 1.00 0.00 O ATOM 0 H GLY A 39 -1.430 -3.798 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.140 -5.183 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.423 -4.089 -0.866 1.00 0.00 H new ATOM 572 N SER A 40 -0.585 -3.160 1.564 1.00 0.00 N ATOM 573 CA SER A 40 -0.619 -2.638 2.926 1.00 0.00 C ATOM 574 C SER A 40 -1.566 -3.457 3.797 1.00 0.00 C ATOM 575 O SER A 40 -2.194 -4.407 3.330 1.00 0.00 O ATOM 576 CB SER A 40 -1.053 -1.171 2.921 1.00 0.00 C ATOM 577 OG SER A 40 -2.459 -1.055 2.787 1.00 0.00 O ATOM 0 H SER A 40 -1.482 -3.132 1.079 1.00 0.00 H new ATOM 0 HA SER A 40 0.385 -2.711 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.732 -0.690 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.562 -0.646 2.102 1.00 0.00 H new ATOM 0 HG SER A 40 -2.711 -0.108 2.788 1.00 0.00 H new ATOM 583 N PHE A 41 -1.664 -3.081 5.068 1.00 0.00 N ATOM 584 CA PHE A 41 -2.533 -3.781 6.007 1.00 0.00 C ATOM 585 C PHE A 41 -3.748 -2.928 6.362 1.00 0.00 C ATOM 586 O PHE A 41 -3.615 -1.839 6.921 1.00 0.00 O ATOM 587 CB PHE A 41 -1.761 -4.142 7.278 1.00 0.00 C ATOM 588 CG PHE A 41 -0.865 -5.336 7.116 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.302 -5.247 6.374 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.190 -6.548 7.705 1.00 0.00 C ATOM 591 CE1 PHE A 41 1.129 -6.345 6.223 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.366 -7.648 7.557 1.00 0.00 C ATOM 593 CZ PHE A 41 0.794 -7.546 6.814 1.00 0.00 C ATOM 0 H PHE A 41 -1.153 -2.296 5.471 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.880 -4.697 5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.160 -3.286 7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.471 -4.337 8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.569 -4.310 5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.097 -6.634 8.286 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.036 -6.263 5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.629 -8.587 8.022 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.438 -8.405 6.696 1.00 0.00 H new ATOM 603 N VAL A 42 -4.934 -3.432 6.033 1.00 0.00 N ATOM 604 CA VAL A 42 -6.173 -2.718 6.316 1.00 0.00 C ATOM 605 C VAL A 42 -7.099 -3.552 7.195 1.00 0.00 C ATOM 606 O VAL A 42 -6.739 -4.646 7.632 1.00 0.00 O ATOM 607 CB VAL A 42 -6.914 -2.343 5.019 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.150 -1.272 4.258 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.128 -3.576 4.153 1.00 0.00 C ATOM 0 H VAL A 42 -5.062 -4.332 5.570 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.899 -1.805 6.845 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.891 -1.939 5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.689 -1.020 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.054 -0.382 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.158 -1.645 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.653 -3.293 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.163 -4.012 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.722 -4.307 4.701 1.00 0.00 H new ATOM 619 N CYS A 43 -8.293 -3.028 7.451 1.00 0.00 N ATOM 620 CA CYS A 43 -9.272 -3.723 8.278 1.00 0.00 C ATOM 621 C CYS A 43 -10.520 -4.068 7.470 1.00 0.00 C ATOM 622 O CYS A 43 -10.608 -3.760 6.281 1.00 0.00 O ATOM 623 CB CYS A 43 -9.654 -2.864 9.485 1.00 0.00 C ATOM 624 SG CYS A 43 -10.604 -1.368 9.061 1.00 0.00 S ATOM 0 H CYS A 43 -8.606 -2.124 7.097 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.820 -4.650 8.629 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.239 -3.469 10.178 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.745 -2.568 10.009 1.00 0.00 H new ATOM 629 N THR A 44 -11.484 -4.709 8.124 1.00 0.00 N ATOM 630 CA THR A 44 -12.726 -5.096 7.468 1.00 0.00 C ATOM 631 C THR A 44 -13.513 -3.872 7.014 1.00 0.00 C ATOM 632 O THR A 44 -14.160 -3.891 5.967 1.00 0.00 O ATOM 633 CB THR A 44 -13.612 -5.946 8.398 1.00 0.00 C ATOM 634 OG1 THR A 44 -12.794 -6.693 9.306 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.485 -6.897 7.594 1.00 0.00 C ATOM 0 H THR A 44 -11.428 -4.971 9.108 1.00 0.00 H new ATOM 0 HA THR A 44 -12.451 -5.691 6.597 1.00 0.00 H new ATOM 0 HB THR A 44 -14.259 -5.274 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.005 -7.031 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.102 -7.487 8.273 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.127 -6.324 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.853 -7.563 7.007 1.00 0.00 H new ATOM 643 N SER A 45 -13.452 -2.808 7.808 1.00 0.00 N ATOM 644 CA SER A 45 -14.163 -1.575 7.489 1.00 0.00 C ATOM 645 C SER A 45 -13.645 -0.971 6.187 1.00 0.00 C ATOM 646 O SER A 45 -14.356 -0.927 5.183 1.00 0.00 O ATOM 647 CB SER A 45 -14.012 -0.565 8.628 1.00 0.00 C ATOM 648 OG SER A 45 -15.092 0.352 8.643 1.00 0.00 O ATOM 0 H SER A 45 -12.918 -2.775 8.676 1.00 0.00 H new ATOM 0 HA SER A 45 -15.219 -1.815 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.965 -1.092 9.581 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.073 -0.024 8.516 1.00 0.00 H new ATOM 0 HG SER A 45 -14.973 0.986 9.381 1.00 0.00 H new ATOM 654 N CYS A 46 -12.400 -0.506 6.212 1.00 0.00 N ATOM 655 CA CYS A 46 -11.785 0.096 5.036 1.00 0.00 C ATOM 656 C CYS A 46 -11.804 -0.871 3.856 1.00 0.00 C ATOM 657 O CYS A 46 -12.295 -0.540 2.776 1.00 0.00 O ATOM 658 CB CYS A 46 -10.345 0.512 5.344 1.00 0.00 C ATOM 659 SG CYS A 46 -10.180 1.603 6.794 1.00 0.00 S ATOM 0 H CYS A 46 -11.798 -0.535 7.035 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.363 0.980 4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.746 -0.384 5.507 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.930 1.018 4.473 1.00 0.00 H new ATOM 664 N SER A 47 -11.267 -2.068 4.070 1.00 0.00 N ATOM 665 CA SER A 47 -11.220 -3.083 3.024 1.00 0.00 C ATOM 666 C SER A 47 -12.492 -3.055 2.181 1.00 0.00 C ATOM 667 O SER A 47 -12.467 -3.356 0.989 1.00 0.00 O ATOM 668 CB SER A 47 -11.033 -4.471 3.639 1.00 0.00 C ATOM 669 OG SER A 47 -12.127 -4.812 4.471 1.00 0.00 O ATOM 0 H SER A 47 -10.858 -2.359 4.958 1.00 0.00 H new ATOM 0 HA SER A 47 -10.371 -2.863 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.930 -5.212 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.110 -4.494 4.219 1.00 0.00 H new ATOM 0 HG SER A 47 -12.201 -5.787 4.531 1.00 0.00 H new ATOM 675 N GLY A 48 -13.604 -2.689 2.812 1.00 0.00 N ATOM 676 CA GLY A 48 -14.871 -2.628 2.107 1.00 0.00 C ATOM 677 C GLY A 48 -15.004 -1.378 1.261 1.00 0.00 C ATOM 678 O GLY A 48 -15.539 -1.423 0.153 1.00 0.00 O ATOM 0 H GLY A 48 -13.650 -2.434 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.971 -3.507 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.687 -2.663 2.829 1.00 0.00 H new ATOM 682 N SER A 49 -14.517 -0.257 1.784 1.00 0.00 N ATOM 683 CA SER A 49 -14.588 1.013 1.071 1.00 0.00 C ATOM 684 C SER A 49 -13.639 1.021 -0.123 1.00 0.00 C ATOM 685 O SER A 49 -14.025 1.383 -1.236 1.00 0.00 O ATOM 686 CB SER A 49 -14.250 2.171 2.013 1.00 0.00 C ATOM 687 OG SER A 49 -14.724 3.403 1.497 1.00 0.00 O ATOM 0 H SER A 49 -14.069 -0.203 2.699 1.00 0.00 H new ATOM 0 HA SER A 49 -15.607 1.138 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.693 1.989 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.171 2.224 2.156 1.00 0.00 H new ATOM 0 HG SER A 49 -14.497 4.127 2.118 1.00 0.00 H new ATOM 693 N LEU A 50 -12.396 0.618 0.115 1.00 0.00 N ATOM 694 CA LEU A 50 -11.389 0.577 -0.940 1.00 0.00 C ATOM 695 C LEU A 50 -11.990 0.067 -2.246 1.00 0.00 C ATOM 696 O LEU A 50 -11.655 0.553 -3.326 1.00 0.00 O ATOM 697 CB LEU A 50 -10.219 -0.314 -0.521 1.00 0.00 C ATOM 698 CG LEU A 50 -9.100 0.373 0.263 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.174 -0.660 0.888 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.317 1.316 -0.639 1.00 0.00 C ATOM 0 H LEU A 50 -12.061 0.315 1.029 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.025 1.592 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.610 -1.132 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.787 -0.758 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.551 0.959 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.384 -0.153 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.743 -1.295 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.731 -1.273 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.525 1.796 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.877 0.752 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.987 2.077 -1.039 1.00 0.00 H new ATOM 712 N ARG A 51 -12.880 -0.914 -2.139 1.00 0.00 N ATOM 713 CA ARG A 51 -13.528 -1.490 -3.311 1.00 0.00 C ATOM 714 C ARG A 51 -14.347 -0.437 -4.051 1.00 0.00 C ATOM 715 O ARG A 51 -14.238 -0.293 -5.268 1.00 0.00 O ATOM 716 CB ARG A 51 -14.428 -2.657 -2.901 1.00 0.00 C ATOM 717 CG ARG A 51 -13.680 -3.796 -2.228 1.00 0.00 C ATOM 718 CD ARG A 51 -14.625 -4.910 -1.804 1.00 0.00 C ATOM 719 NE ARG A 51 -15.753 -4.404 -1.028 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.882 -3.964 -1.573 1.00 0.00 C ATOM 721 NH1 ARG A 51 -17.031 -3.968 -2.890 1.00 0.00 N ATOM 722 NH2 ARG A 51 -17.864 -3.519 -0.800 1.00 0.00 N ATOM 0 H ARG A 51 -13.169 -1.327 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.751 -1.858 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.199 -2.290 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.937 -3.040 -3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.930 -4.194 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.147 -3.418 -1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.996 -5.427 -2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.078 -5.644 -1.212 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.670 -4.387 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.278 -4.309 -3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.899 -3.630 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.753 -3.514 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.730 -3.181 -1.220 1.00 0.00 H new ATOM 736 N GLY A 52 -15.169 0.297 -3.306 1.00 0.00 N ATOM 737 CA GLY A 52 -15.995 1.327 -3.909 1.00 0.00 C ATOM 738 C GLY A 52 -15.239 2.153 -4.930 1.00 0.00 C ATOM 739 O GLY A 52 -15.822 2.641 -5.900 1.00 0.00 O ATOM 0 H GLY A 52 -15.277 0.197 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.857 0.863 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.380 1.983 -3.128 1.00 0.00 H new ATOM 743 N LEU A 53 -13.939 2.314 -4.713 1.00 0.00 N ATOM 744 CA LEU A 53 -13.101 3.089 -5.622 1.00 0.00 C ATOM 745 C LEU A 53 -13.063 2.450 -7.006 1.00 0.00 C ATOM 746 O LEU A 53 -13.602 1.363 -7.214 1.00 0.00 O ATOM 747 CB LEU A 53 -11.682 3.208 -5.063 1.00 0.00 C ATOM 748 CG LEU A 53 -11.562 3.790 -3.654 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.236 3.394 -3.024 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.708 5.304 -3.689 1.00 0.00 C ATOM 0 H LEU A 53 -13.442 1.918 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.533 4.085 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.228 2.217 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.096 3.828 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.367 3.382 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.169 3.817 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.172 2.308 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.416 3.773 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.620 5.701 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.925 5.731 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.684 5.566 -4.098 1.00 0.00 H new ATOM 762 N ASN A 54 -12.420 3.131 -7.949 1.00 0.00 N ATOM 763 CA ASN A 54 -12.310 2.628 -9.314 1.00 0.00 C ATOM 764 C ASN A 54 -10.954 2.984 -9.917 1.00 0.00 C ATOM 765 O ASN A 54 -10.579 4.152 -10.018 1.00 0.00 O ATOM 766 CB ASN A 54 -13.433 3.200 -10.182 1.00 0.00 C ATOM 767 CG ASN A 54 -13.301 2.795 -11.638 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.611 1.663 -12.009 1.00 0.00 O ATOM 769 ND2 ASN A 54 -12.839 3.721 -12.470 1.00 0.00 N ATOM 0 H ASN A 54 -11.968 4.032 -7.793 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.400 1.542 -9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.395 2.859 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.428 4.287 -10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.729 3.507 -13.461 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.594 4.647 -12.118 1.00 0.00 H new ATOM 776 N PRO A 55 -10.201 1.953 -10.327 1.00 0.00 N ATOM 777 CA PRO A 55 -10.636 0.558 -10.210 1.00 0.00 C ATOM 778 C PRO A 55 -10.673 0.082 -8.762 1.00 0.00 C ATOM 779 O PRO A 55 -9.999 0.625 -7.887 1.00 0.00 O ATOM 780 CB PRO A 55 -9.574 -0.212 -10.999 1.00 0.00 C ATOM 781 CG PRO A 55 -8.362 0.652 -10.947 1.00 0.00 C ATOM 782 CD PRO A 55 -8.865 2.070 -10.936 1.00 0.00 C ATOM 0 HA PRO A 55 -11.650 0.415 -10.582 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.383 -1.189 -10.556 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.893 -0.385 -12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.770 0.441 -10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.718 0.473 -11.808 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.214 2.723 -10.355 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.917 2.486 -11.942 1.00 0.00 H new ATOM 790 N PRO A 56 -11.479 -0.958 -8.501 1.00 0.00 N ATOM 791 CA PRO A 56 -11.623 -1.532 -7.160 1.00 0.00 C ATOM 792 C PRO A 56 -10.366 -2.265 -6.705 1.00 0.00 C ATOM 793 O PRO A 56 -9.905 -3.197 -7.366 1.00 0.00 O ATOM 794 CB PRO A 56 -12.787 -2.512 -7.316 1.00 0.00 C ATOM 795 CG PRO A 56 -12.783 -2.879 -8.760 1.00 0.00 C ATOM 796 CD PRO A 56 -12.312 -1.656 -9.496 1.00 0.00 C ATOM 0 HA PRO A 56 -11.793 -0.765 -6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.653 -3.390 -6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.732 -2.053 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.122 -3.725 -8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.779 -3.174 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.740 -1.918 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.148 -1.038 -9.825 1.00 0.00 H new ATOM 804 N HIS A 57 -9.814 -1.840 -5.573 1.00 0.00 N ATOM 805 CA HIS A 57 -8.610 -2.458 -5.030 1.00 0.00 C ATOM 806 C HIS A 57 -8.855 -3.928 -4.700 1.00 0.00 C ATOM 807 O HIS A 57 -9.926 -4.467 -4.981 1.00 0.00 O ATOM 808 CB HIS A 57 -8.149 -1.712 -3.777 1.00 0.00 C ATOM 809 CG HIS A 57 -7.519 -0.385 -4.068 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.603 0.213 -3.229 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.676 0.459 -5.115 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.225 1.369 -3.746 1.00 0.00 C ATOM 813 NE2 HIS A 57 -6.861 1.542 -4.890 1.00 0.00 N ATOM 0 H HIS A 57 -10.181 -1.070 -5.014 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.828 -2.399 -5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.004 -1.562 -3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.435 -2.333 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.321 0.309 -5.968 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.516 2.056 -3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.763 2.349 -5.507 1.00 0.00 H new ATOM 821 N ARG A 58 -7.856 -4.570 -4.103 1.00 0.00 N ATOM 822 CA ARG A 58 -7.962 -5.977 -3.738 1.00 0.00 C ATOM 823 C ARG A 58 -7.648 -6.179 -2.258 1.00 0.00 C ATOM 824 O ARG A 58 -6.518 -5.969 -1.818 1.00 0.00 O ATOM 825 CB ARG A 58 -7.015 -6.821 -4.592 1.00 0.00 C ATOM 826 CG ARG A 58 -7.579 -7.176 -5.958 1.00 0.00 C ATOM 827 CD ARG A 58 -6.504 -7.739 -6.875 1.00 0.00 C ATOM 828 NE ARG A 58 -5.542 -6.719 -7.282 1.00 0.00 N ATOM 829 CZ ARG A 58 -4.454 -6.979 -7.998 1.00 0.00 C ATOM 830 NH1 ARG A 58 -4.191 -8.220 -8.384 1.00 0.00 N ATOM 831 NH2 ARG A 58 -3.626 -5.997 -8.330 1.00 0.00 N ATOM 0 H ARG A 58 -6.964 -4.138 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.987 -6.298 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.079 -6.279 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.778 -7.740 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.380 -7.906 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.019 -6.289 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.981 -8.548 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.972 -8.170 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.715 -5.754 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.825 -8.978 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.355 -8.417 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.825 -5.041 -8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.791 -6.198 -8.880 1.00 0.00 H new ATOM 845 N VAL A 59 -8.656 -6.589 -1.495 1.00 0.00 N ATOM 846 CA VAL A 59 -8.488 -6.821 -0.065 1.00 0.00 C ATOM 847 C VAL A 59 -8.786 -8.272 0.296 1.00 0.00 C ATOM 848 O VAL A 59 -9.733 -8.868 -0.217 1.00 0.00 O ATOM 849 CB VAL A 59 -9.401 -5.898 0.764 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.752 -4.536 0.955 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.763 -5.762 0.101 1.00 0.00 C ATOM 0 H VAL A 59 -9.598 -6.767 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.448 -6.598 0.172 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.545 -6.345 1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.412 -3.898 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.803 -4.655 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.576 -4.077 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.395 -5.107 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.642 -5.338 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.229 -6.744 0.023 1.00 0.00 H new ATOM 861 N LYS A 60 -7.972 -8.835 1.182 1.00 0.00 N ATOM 862 CA LYS A 60 -8.149 -10.216 1.615 1.00 0.00 C ATOM 863 C LYS A 60 -7.923 -10.349 3.117 1.00 0.00 C ATOM 864 O LYS A 60 -6.848 -10.028 3.623 1.00 0.00 O ATOM 865 CB LYS A 60 -7.186 -11.135 0.860 1.00 0.00 C ATOM 866 CG LYS A 60 -7.729 -11.622 -0.472 1.00 0.00 C ATOM 867 CD LYS A 60 -6.624 -12.184 -1.352 1.00 0.00 C ATOM 868 CE LYS A 60 -6.398 -13.664 -1.085 1.00 0.00 C ATOM 869 NZ LYS A 60 -4.991 -14.068 -1.361 1.00 0.00 N ATOM 0 H LYS A 60 -7.182 -8.356 1.615 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.174 -10.512 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.249 -10.604 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.954 -11.997 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.484 -12.389 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.223 -10.799 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.883 -12.038 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.700 -11.635 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.643 -13.887 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.073 -14.253 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.877 -15.083 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.765 -13.878 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.348 -13.525 -0.751 1.00 0.00 H new ATOM 883 N SER A 61 -8.943 -10.824 3.825 1.00 0.00 N ATOM 884 CA SER A 61 -8.856 -10.997 5.270 1.00 0.00 C ATOM 885 C SER A 61 -7.574 -11.731 5.653 1.00 0.00 C ATOM 886 O SER A 61 -7.020 -12.490 4.858 1.00 0.00 O ATOM 887 CB SER A 61 -10.072 -11.767 5.787 1.00 0.00 C ATOM 888 OG SER A 61 -11.210 -10.927 5.873 1.00 0.00 O ATOM 0 H SER A 61 -9.839 -11.096 3.421 1.00 0.00 H new ATOM 0 HA SER A 61 -8.839 -10.009 5.729 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.284 -12.605 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.850 -12.186 6.769 1.00 0.00 H new ATOM 0 HG SER A 61 -10.923 -10.002 6.022 1.00 0.00 H new ATOM 894 N ILE A 62 -7.110 -11.497 6.876 1.00 0.00 N ATOM 895 CA ILE A 62 -5.894 -12.136 7.365 1.00 0.00 C ATOM 896 C ILE A 62 -6.208 -13.461 8.052 1.00 0.00 C ATOM 897 O ILE A 62 -5.411 -14.398 8.010 1.00 0.00 O ATOM 898 CB ILE A 62 -5.138 -11.226 8.351 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.663 -9.955 7.644 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.960 -11.971 8.962 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.280 -8.842 8.594 1.00 0.00 C ATOM 0 H ILE A 62 -7.557 -10.871 7.546 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.262 -12.321 6.496 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.818 -10.940 9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.805 -10.197 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.453 -9.601 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.435 -11.315 9.657 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.322 -12.849 9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.277 -12.283 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.953 -7.973 8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.142 -8.572 9.205 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.469 -9.178 9.240 1.00 0.00 H new ATOM 913 N SER A 63 -7.376 -13.532 8.683 1.00 0.00 N ATOM 914 CA SER A 63 -7.795 -14.742 9.381 1.00 0.00 C ATOM 915 C SER A 63 -8.788 -15.538 8.540 1.00 0.00 C ATOM 916 O SER A 63 -8.611 -16.736 8.321 1.00 0.00 O ATOM 917 CB SER A 63 -8.423 -14.386 10.730 1.00 0.00 C ATOM 918 OG SER A 63 -9.663 -13.721 10.556 1.00 0.00 O ATOM 0 H SER A 63 -8.049 -12.766 8.725 1.00 0.00 H new ATOM 0 HA SER A 63 -6.912 -15.358 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.572 -15.293 11.316 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.742 -13.750 11.295 1.00 0.00 H new ATOM 0 HG SER A 63 -10.045 -13.506 11.433 1.00 0.00 H new ATOM 924 N MET A 64 -9.832 -14.863 8.071 1.00 0.00 N ATOM 925 CA MET A 64 -10.853 -15.506 7.252 1.00 0.00 C ATOM 926 C MET A 64 -10.240 -16.103 5.989 1.00 0.00 C ATOM 927 O MET A 64 -10.636 -17.181 5.543 1.00 0.00 O ATOM 928 CB MET A 64 -11.945 -14.502 6.878 1.00 0.00 C ATOM 929 CG MET A 64 -12.712 -13.965 8.074 1.00 0.00 C ATOM 930 SD MET A 64 -14.314 -13.273 7.619 1.00 0.00 S ATOM 931 CE MET A 64 -13.974 -11.519 7.745 1.00 0.00 C ATOM 0 H MET A 64 -9.993 -13.871 8.244 1.00 0.00 H new ATOM 0 HA MET A 64 -11.297 -16.313 7.836 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.492 -13.667 6.343 1.00 0.00 H new ATOM 0 HB3 MET A 64 -12.645 -14.978 6.192 1.00 0.00 H new ATOM 0 HG2 MET A 64 -12.859 -14.768 8.796 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.116 -13.197 8.568 1.00 0.00 H new ATOM 0 HE1 MET A 64 -14.894 -10.987 7.988 1.00 0.00 H new ATOM 0 HE2 MET A 64 -13.237 -11.347 8.529 1.00 0.00 H new ATOM 0 HE3 MET A 64 -13.585 -11.155 6.794 1.00 0.00 H new ATOM 941 N THR A 65 -9.271 -15.397 5.416 1.00 0.00 N ATOM 942 CA THR A 65 -8.605 -15.856 4.204 1.00 0.00 C ATOM 943 C THR A 65 -7.161 -16.257 4.488 1.00 0.00 C ATOM 944 O THR A 65 -6.485 -15.641 5.313 1.00 0.00 O ATOM 945 CB THR A 65 -8.619 -14.772 3.109 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.940 -14.240 2.964 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.146 -15.340 1.780 1.00 0.00 C ATOM 0 H THR A 65 -8.930 -14.504 5.772 1.00 0.00 H new ATOM 0 HA THR A 65 -9.158 -16.726 3.850 1.00 0.00 H new ATOM 0 HB THR A 65 -7.938 -13.975 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.940 -13.551 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.164 -14.557 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.129 -15.718 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.805 -16.154 1.477 1.00 0.00 H new ATOM 955 N THR A 66 -6.693 -17.293 3.799 1.00 0.00 N ATOM 956 CA THR A 66 -5.330 -17.776 3.977 1.00 0.00 C ATOM 957 C THR A 66 -4.365 -17.058 3.040 1.00 0.00 C ATOM 958 O THR A 66 -4.759 -16.160 2.297 1.00 0.00 O ATOM 959 CB THR A 66 -5.234 -19.293 3.729 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.789 -19.616 2.449 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.968 -20.066 4.815 1.00 0.00 C ATOM 0 H THR A 66 -7.239 -17.814 3.112 1.00 0.00 H new ATOM 0 HA THR A 66 -5.053 -17.566 5.010 1.00 0.00 H new ATOM 0 HB THR A 66 -4.182 -19.577 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.723 -20.582 2.298 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.887 -21.135 4.619 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.525 -19.840 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.019 -19.777 4.820 1.00 0.00 H new ATOM 969 N PHE A 67 -3.099 -17.460 3.081 1.00 0.00 N ATOM 970 CA PHE A 67 -2.077 -16.854 2.235 1.00 0.00 C ATOM 971 C PHE A 67 -1.014 -17.878 1.848 1.00 0.00 C ATOM 972 O PHE A 67 -1.118 -19.058 2.186 1.00 0.00 O ATOM 973 CB PHE A 67 -1.425 -15.672 2.954 1.00 0.00 C ATOM 974 CG PHE A 67 -2.319 -14.471 3.066 1.00 0.00 C ATOM 975 CD1 PHE A 67 -2.897 -13.913 1.937 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.583 -13.900 4.301 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.720 -12.807 2.038 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.406 -12.794 4.408 1.00 0.00 C ATOM 979 CZ PHE A 67 -3.976 -12.248 3.275 1.00 0.00 C ATOM 0 H PHE A 67 -2.756 -18.202 3.691 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.559 -16.496 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.125 -15.986 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.516 -15.390 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.702 -14.347 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.141 -14.324 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.163 -12.380 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.603 -12.358 5.376 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.621 -11.385 3.356 1.00 0.00 H new ATOM 989 N THR A 68 0.010 -17.419 1.136 1.00 0.00 N ATOM 990 CA THR A 68 1.092 -18.293 0.701 1.00 0.00 C ATOM 991 C THR A 68 2.443 -17.596 0.815 1.00 0.00 C ATOM 992 O THR A 68 2.512 -16.371 0.914 1.00 0.00 O ATOM 993 CB THR A 68 0.889 -18.758 -0.754 1.00 0.00 C ATOM 994 OG1 THR A 68 1.993 -19.570 -1.168 1.00 0.00 O ATOM 995 CG2 THR A 68 0.751 -17.566 -1.688 1.00 0.00 C ATOM 0 H THR A 68 0.113 -16.446 0.848 1.00 0.00 H new ATOM 0 HA THR A 68 1.078 -19.162 1.358 1.00 0.00 H new ATOM 0 HB THR A 68 -0.029 -19.344 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.855 -19.863 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.609 -17.919 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.108 -16.966 -1.388 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.654 -16.957 -1.637 1.00 0.00 H new ATOM 1003 N GLN A 69 3.513 -18.384 0.802 1.00 0.00 N ATOM 1004 CA GLN A 69 4.862 -17.840 0.904 1.00 0.00 C ATOM 1005 C GLN A 69 5.061 -16.687 -0.075 1.00 0.00 C ATOM 1006 O GLN A 69 5.594 -15.639 0.287 1.00 0.00 O ATOM 1007 CB GLN A 69 5.898 -18.934 0.638 1.00 0.00 C ATOM 1008 CG GLN A 69 7.334 -18.467 0.808 1.00 0.00 C ATOM 1009 CD GLN A 69 7.812 -18.559 2.243 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.915 -19.648 2.807 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.107 -17.411 2.843 1.00 0.00 N ATOM 0 H GLN A 69 3.472 -19.400 0.722 1.00 0.00 H new ATOM 0 HA GLN A 69 4.996 -17.460 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.714 -19.769 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.765 -19.310 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.985 -19.068 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.419 -17.436 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.007 -16.531 2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.434 -17.410 3.809 1.00 0.00 H new ATOM 1020 N GLN A 70 4.628 -16.890 -1.315 1.00 0.00 N ATOM 1021 CA GLN A 70 4.759 -15.867 -2.346 1.00 0.00 C ATOM 1022 C GLN A 70 4.110 -14.560 -1.902 1.00 0.00 C ATOM 1023 O GLN A 70 4.782 -13.540 -1.759 1.00 0.00 O ATOM 1024 CB GLN A 70 4.127 -16.346 -3.653 1.00 0.00 C ATOM 1025 CG GLN A 70 4.707 -17.655 -4.166 1.00 0.00 C ATOM 1026 CD GLN A 70 6.105 -17.493 -4.728 1.00 0.00 C ATOM 1027 OE1 GLN A 70 6.434 -16.463 -5.319 1.00 0.00 O ATOM 1028 NE2 GLN A 70 6.938 -18.511 -4.548 1.00 0.00 N ATOM 0 H GLN A 70 4.184 -17.753 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 70 5.821 -15.686 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.054 -16.467 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.259 -15.577 -4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.728 -18.382 -3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.053 -18.059 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.624 -19.345 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.892 -18.459 -4.905 1.00 0.00 H new ATOM 1037 N GLU A 71 2.799 -14.600 -1.686 1.00 0.00 N ATOM 1038 CA GLU A 71 2.059 -13.418 -1.260 1.00 0.00 C ATOM 1039 C GLU A 71 2.749 -12.741 -0.079 1.00 0.00 C ATOM 1040 O GLU A 71 3.030 -11.543 -0.114 1.00 0.00 O ATOM 1041 CB GLU A 71 0.626 -13.795 -0.880 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.196 -14.318 -2.046 1.00 0.00 C ATOM 1043 CD GLU A 71 -0.184 -13.377 -3.236 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -0.010 -12.158 -3.025 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -0.350 -13.858 -4.376 1.00 0.00 O ATOM 0 H GLU A 71 2.228 -15.438 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 71 2.033 -12.717 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.654 -14.553 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.129 -12.921 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.191 -15.290 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.225 -14.473 -1.720 1.00 0.00 H new ATOM 1052 N ILE A 72 3.017 -13.518 0.966 1.00 0.00 N ATOM 1053 CA ILE A 72 3.674 -12.994 2.157 1.00 0.00 C ATOM 1054 C ILE A 72 4.920 -12.194 1.791 1.00 0.00 C ATOM 1055 O ILE A 72 5.168 -11.126 2.349 1.00 0.00 O ATOM 1056 CB ILE A 72 4.070 -14.125 3.125 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.822 -14.848 3.636 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.879 -13.569 4.287 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.883 -13.955 4.417 1.00 0.00 C ATOM 0 H ILE A 72 2.789 -14.511 1.012 1.00 0.00 H new ATOM 0 HA ILE A 72 2.956 -12.339 2.651 1.00 0.00 H new ATOM 0 HB ILE A 72 4.689 -14.843 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.285 -15.272 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.128 -15.681 4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.151 -14.380 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.784 -13.095 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.283 -12.833 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.021 -14.534 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.403 -13.551 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.547 -13.136 3.781 1.00 0.00 H new ATOM 1071 N GLU A 73 5.698 -12.719 0.850 1.00 0.00 N ATOM 1072 CA GLU A 73 6.918 -12.052 0.410 1.00 0.00 C ATOM 1073 C GLU A 73 6.601 -10.702 -0.227 1.00 0.00 C ATOM 1074 O GLU A 73 7.173 -9.678 0.147 1.00 0.00 O ATOM 1075 CB GLU A 73 7.675 -12.933 -0.587 1.00 0.00 C ATOM 1076 CG GLU A 73 8.504 -14.023 0.071 1.00 0.00 C ATOM 1077 CD GLU A 73 9.683 -14.453 -0.780 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.210 -13.608 -1.534 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.079 -15.634 -0.692 1.00 0.00 O ATOM 0 H GLU A 73 5.506 -13.603 0.378 1.00 0.00 H new ATOM 0 HA GLU A 73 7.545 -11.883 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.959 -13.394 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.330 -12.304 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.867 -13.666 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.870 -14.887 0.269 1.00 0.00 H new ATOM 1086 N PHE A 74 5.686 -10.709 -1.190 1.00 0.00 N ATOM 1087 CA PHE A 74 5.293 -9.486 -1.880 1.00 0.00 C ATOM 1088 C PHE A 74 4.864 -8.413 -0.883 1.00 0.00 C ATOM 1089 O PHE A 74 5.309 -7.267 -0.958 1.00 0.00 O ATOM 1090 CB PHE A 74 4.153 -9.772 -2.860 1.00 0.00 C ATOM 1091 CG PHE A 74 3.417 -8.538 -3.300 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.459 -7.959 -2.484 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.684 -7.958 -4.529 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.780 -6.825 -2.887 1.00 0.00 C ATOM 1095 CE2 PHE A 74 3.008 -6.823 -4.938 1.00 0.00 C ATOM 1096 CZ PHE A 74 2.056 -6.255 -4.114 1.00 0.00 C ATOM 0 H PHE A 74 5.203 -11.548 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 74 6.156 -9.118 -2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.557 -10.277 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.447 -10.459 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.240 -8.399 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.429 -8.397 -5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.034 -6.385 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.224 -6.382 -5.900 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.529 -5.367 -4.429 1.00 0.00 H new ATOM 1106 N LEU A 75 3.997 -8.793 0.049 1.00 0.00 N ATOM 1107 CA LEU A 75 3.507 -7.864 1.061 1.00 0.00 C ATOM 1108 C LEU A 75 4.659 -7.298 1.885 1.00 0.00 C ATOM 1109 O LEU A 75 4.745 -6.090 2.101 1.00 0.00 O ATOM 1110 CB LEU A 75 2.503 -8.563 1.980 1.00 0.00 C ATOM 1111 CG LEU A 75 1.093 -8.745 1.418 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.374 -9.876 2.136 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.302 -7.450 1.533 1.00 0.00 C ATOM 0 H LEU A 75 3.619 -9.737 0.125 1.00 0.00 H new ATOM 0 HA LEU A 75 3.010 -7.039 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.899 -9.545 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.432 -7.994 2.907 1.00 0.00 H new ATOM 0 HG LEU A 75 1.174 -9.006 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.628 -9.991 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.930 -10.804 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.304 -9.646 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.699 -7.598 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.230 -7.159 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.808 -6.664 0.972 1.00 0.00 H new ATOM 1125 N GLN A 76 5.543 -8.180 2.341 1.00 0.00 N ATOM 1126 CA GLN A 76 6.690 -7.768 3.140 1.00 0.00 C ATOM 1127 C GLN A 76 7.566 -6.786 2.369 1.00 0.00 C ATOM 1128 O GLN A 76 7.958 -5.743 2.892 1.00 0.00 O ATOM 1129 CB GLN A 76 7.515 -8.988 3.554 1.00 0.00 C ATOM 1130 CG GLN A 76 6.971 -9.701 4.782 1.00 0.00 C ATOM 1131 CD GLN A 76 8.005 -10.587 5.448 1.00 0.00 C ATOM 1132 OE1 GLN A 76 9.123 -10.738 4.952 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.638 -11.180 6.578 1.00 0.00 N ATOM 0 H GLN A 76 5.486 -9.184 2.171 1.00 0.00 H new ATOM 0 HA GLN A 76 6.317 -7.270 4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.551 -9.691 2.722 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.540 -8.674 3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.616 -8.961 5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.111 -10.306 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.702 -11.027 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.292 -11.788 7.071 1.00 0.00 H new ATOM 1142 N LYS A 77 7.871 -7.127 1.121 1.00 0.00 N ATOM 1143 CA LYS A 77 8.699 -6.276 0.275 1.00 0.00 C ATOM 1144 C LYS A 77 8.153 -4.852 0.234 1.00 0.00 C ATOM 1145 O LYS A 77 8.911 -3.889 0.117 1.00 0.00 O ATOM 1146 CB LYS A 77 8.772 -6.847 -1.143 1.00 0.00 C ATOM 1147 CG LYS A 77 9.469 -8.194 -1.221 1.00 0.00 C ATOM 1148 CD LYS A 77 10.963 -8.037 -1.449 1.00 0.00 C ATOM 1149 CE LYS A 77 11.283 -7.819 -2.920 1.00 0.00 C ATOM 1150 NZ LYS A 77 12.692 -8.179 -3.240 1.00 0.00 N ATOM 0 H LYS A 77 7.557 -7.988 0.673 1.00 0.00 H new ATOM 0 HA LYS A 77 9.702 -6.249 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.761 -6.947 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.296 -6.138 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.297 -8.747 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.036 -8.782 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.334 -7.194 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.482 -8.926 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.607 -8.417 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.107 -6.775 -3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.871 -8.016 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.337 -7.590 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.853 -9.182 -3.017 1.00 0.00 H new ATOM 1164 N HIS A 78 6.833 -4.727 0.333 1.00 0.00 N ATOM 1165 CA HIS A 78 6.186 -3.420 0.309 1.00 0.00 C ATOM 1166 C HIS A 78 5.837 -2.961 1.721 1.00 0.00 C ATOM 1167 O HIS A 78 6.499 -2.089 2.283 1.00 0.00 O ATOM 1168 CB HIS A 78 4.922 -3.469 -0.551 1.00 0.00 C ATOM 1169 CG HIS A 78 5.188 -3.306 -2.016 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.463 -4.366 -2.853 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.217 -2.198 -2.792 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.652 -3.917 -4.081 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.508 -2.604 -4.071 1.00 0.00 N ATOM 0 H HIS A 78 6.191 -5.514 0.430 1.00 0.00 H new ATOM 0 HA HIS A 78 6.884 -2.704 -0.125 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.416 -4.420 -0.385 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.240 -2.684 -0.224 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.044 -1.183 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.885 -4.521 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.598 -1.991 -4.882 1.00 0.00 H new ATOM 1181 N GLY A 79 4.791 -3.554 2.290 1.00 0.00 N ATOM 1182 CA GLY A 79 4.372 -3.191 3.632 1.00 0.00 C ATOM 1183 C GLY A 79 4.090 -1.708 3.770 1.00 0.00 C ATOM 1184 O GLY A 79 4.517 -0.908 2.939 1.00 0.00 O ATOM 0 H GLY A 79 4.227 -4.279 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.476 -3.754 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.148 -3.478 4.342 1.00 0.00 H new ATOM 1188 N ASN A 80 3.367 -1.341 4.823 1.00 0.00 N ATOM 1189 CA ASN A 80 3.027 0.056 5.067 1.00 0.00 C ATOM 1190 C ASN A 80 4.281 0.885 5.325 1.00 0.00 C ATOM 1191 O ASN A 80 4.237 2.114 5.317 1.00 0.00 O ATOM 1192 CB ASN A 80 2.073 0.170 6.258 1.00 0.00 C ATOM 1193 CG ASN A 80 0.862 -0.731 6.117 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.781 -1.542 5.194 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.089 -0.592 7.034 1.00 0.00 N ATOM 0 H ASN A 80 3.005 -1.991 5.521 1.00 0.00 H new ATOM 0 HA ASN A 80 2.534 0.444 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.607 -0.084 7.173 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.743 1.204 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.928 -1.170 6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.020 0.093 7.782 1.00 0.00 H new ATOM 1202 N GLU A 81 5.399 0.202 5.552 1.00 0.00 N ATOM 1203 CA GLU A 81 6.666 0.876 5.812 1.00 0.00 C ATOM 1204 C GLU A 81 6.966 1.906 4.727 1.00 0.00 C ATOM 1205 O GLU A 81 7.053 3.104 5.000 1.00 0.00 O ATOM 1206 CB GLU A 81 7.804 -0.144 5.891 1.00 0.00 C ATOM 1207 CG GLU A 81 9.148 0.471 6.248 1.00 0.00 C ATOM 1208 CD GLU A 81 9.391 0.515 7.744 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.194 -0.525 8.407 1.00 0.00 O ATOM 1210 OE2 GLU A 81 9.777 1.588 8.251 1.00 0.00 O ATOM 0 H GLU A 81 5.453 -0.817 5.561 1.00 0.00 H new ATOM 0 HA GLU A 81 6.584 1.394 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.551 -0.901 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.891 -0.655 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.943 -0.102 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.199 1.483 5.846 1.00 0.00 H new ATOM 1217 N VAL A 82 7.125 1.432 3.496 1.00 0.00 N ATOM 1218 CA VAL A 82 7.416 2.311 2.369 1.00 0.00 C ATOM 1219 C VAL A 82 6.135 2.737 1.661 1.00 0.00 C ATOM 1220 O VAL A 82 6.022 3.870 1.190 1.00 0.00 O ATOM 1221 CB VAL A 82 8.350 1.629 1.352 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.681 1.280 1.999 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.688 0.389 0.770 1.00 0.00 C ATOM 0 H VAL A 82 7.057 0.444 3.253 1.00 0.00 H new ATOM 0 HA VAL A 82 7.914 3.192 2.774 1.00 0.00 H new ATOM 0 HB VAL A 82 8.543 2.326 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.327 0.799 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.159 2.190 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.512 0.600 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.362 -0.081 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.464 -0.314 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.763 0.672 0.267 1.00 0.00 H new ATOM 1233 N CYS A 83 5.173 1.824 1.589 1.00 0.00 N ATOM 1234 CA CYS A 83 3.899 2.106 0.937 1.00 0.00 C ATOM 1235 C CYS A 83 3.358 3.466 1.365 1.00 0.00 C ATOM 1236 O CYS A 83 3.289 4.399 0.565 1.00 0.00 O ATOM 1237 CB CYS A 83 2.882 1.012 1.266 1.00 0.00 C ATOM 1238 SG CYS A 83 2.937 -0.408 0.148 1.00 0.00 S ATOM 0 H CYS A 83 5.251 0.883 1.974 1.00 0.00 H new ATOM 0 HA CYS A 83 4.066 2.125 -0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.054 0.665 2.285 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.881 1.442 1.241 1.00 0.00 H new ATOM 0 HG CYS A 83 1.771 -0.571 -0.404 1.00 0.00 H new ATOM 1244 N LYS A 84 2.973 3.571 2.632 1.00 0.00 N ATOM 1245 CA LYS A 84 2.436 4.817 3.169 1.00 0.00 C ATOM 1246 C LYS A 84 3.230 6.015 2.657 1.00 0.00 C ATOM 1247 O LYS A 84 2.705 6.848 1.920 1.00 0.00 O ATOM 1248 CB LYS A 84 2.462 4.790 4.699 1.00 0.00 C ATOM 1249 CG LYS A 84 1.557 5.828 5.340 1.00 0.00 C ATOM 1250 CD LYS A 84 1.017 5.347 6.676 1.00 0.00 C ATOM 1251 CE LYS A 84 0.495 6.503 7.515 1.00 0.00 C ATOM 1252 NZ LYS A 84 -0.345 6.030 8.650 1.00 0.00 N ATOM 0 H LYS A 84 3.023 2.808 3.307 1.00 0.00 H new ATOM 0 HA LYS A 84 1.404 4.915 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.164 3.799 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.485 4.951 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.110 6.756 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.727 6.052 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.216 4.627 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.804 4.826 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.335 7.080 7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.090 7.174 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.681 6.848 9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.161 5.501 8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.220 5.410 9.265 1.00 0.00 H new ATOM 1266 N GLN A 85 4.496 6.093 3.054 1.00 0.00 N ATOM 1267 CA GLN A 85 5.361 7.190 2.634 1.00 0.00 C ATOM 1268 C GLN A 85 5.208 7.463 1.141 1.00 0.00 C ATOM 1269 O GLN A 85 4.972 8.599 0.729 1.00 0.00 O ATOM 1270 CB GLN A 85 6.820 6.870 2.960 1.00 0.00 C ATOM 1271 CG GLN A 85 7.214 7.211 4.388 1.00 0.00 C ATOM 1272 CD GLN A 85 8.599 6.709 4.747 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.563 7.475 4.767 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.705 5.417 5.032 1.00 0.00 N ATOM 0 H GLN A 85 4.945 5.411 3.665 1.00 0.00 H new ATOM 0 HA GLN A 85 5.062 8.085 3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.998 5.809 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.465 7.418 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.177 8.292 4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.486 6.779 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.879 4.819 5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.612 5.022 5.280 1.00 0.00 H new ATOM 1283 N ILE A 86 5.346 6.415 0.336 1.00 0.00 N ATOM 1284 CA ILE A 86 5.222 6.542 -1.110 1.00 0.00 C ATOM 1285 C ILE A 86 3.918 7.234 -1.492 1.00 0.00 C ATOM 1286 O ILE A 86 3.828 7.875 -2.540 1.00 0.00 O ATOM 1287 CB ILE A 86 5.283 5.168 -1.804 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.720 4.642 -1.816 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.736 5.265 -3.220 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.810 3.133 -1.878 1.00 0.00 C ATOM 0 H ILE A 86 5.544 5.469 0.661 1.00 0.00 H new ATOM 0 HA ILE A 86 6.064 7.147 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 86 4.664 4.467 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.246 5.065 -2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.234 4.992 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.786 4.286 -3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.699 5.600 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.330 5.978 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.857 2.831 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.313 2.703 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.325 2.777 -2.787 1.00 0.00 H new ATOM 1302 N TRP A 87 2.912 7.102 -0.636 1.00 0.00 N ATOM 1303 CA TRP A 87 1.613 7.717 -0.883 1.00 0.00 C ATOM 1304 C TRP A 87 1.503 9.061 -0.171 1.00 0.00 C ATOM 1305 O TRP A 87 0.602 9.852 -0.453 1.00 0.00 O ATOM 1306 CB TRP A 87 0.490 6.787 -0.420 1.00 0.00 C ATOM 1307 CG TRP A 87 0.358 5.552 -1.258 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.732 4.284 -0.914 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.182 5.467 -2.581 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.456 3.417 -1.943 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.106 4.118 -2.977 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.725 6.400 -3.469 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.551 3.681 -4.222 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.166 5.965 -4.704 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.078 4.615 -5.071 1.00 0.00 C ATOM 0 H TRP A 87 2.970 6.575 0.235 1.00 0.00 H new ATOM 0 HA TRP A 87 1.516 7.886 -1.955 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.671 6.497 0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.454 7.332 -0.438 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.179 4.004 0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.640 2.414 -1.938 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.798 7.442 -3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.482 2.642 -4.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.586 6.677 -5.399 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.433 4.306 -6.043 1.00 0.00 H new ATOM 1326 N LEU A 88 2.423 9.314 0.753 1.00 0.00 N ATOM 1327 CA LEU A 88 2.429 10.564 1.505 1.00 0.00 C ATOM 1328 C LEU A 88 3.641 11.415 1.137 1.00 0.00 C ATOM 1329 O LEU A 88 3.856 12.485 1.705 1.00 0.00 O ATOM 1330 CB LEU A 88 2.430 10.277 3.008 1.00 0.00 C ATOM 1331 CG LEU A 88 1.527 9.135 3.474 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.022 9.396 4.884 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.361 8.951 2.513 1.00 0.00 C ATOM 0 H LEU A 88 3.175 8.670 1.000 1.00 0.00 H new ATOM 0 HA LEU A 88 1.527 11.119 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.452 10.053 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.132 11.186 3.531 1.00 0.00 H new ATOM 0 HG LEU A 88 2.112 8.215 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.381 8.573 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.869 9.477 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.453 10.326 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.271 8.134 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.224 9.870 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.742 8.717 1.519 1.00 0.00 H new ATOM 1345 N GLY A 89 4.429 10.932 0.181 1.00 0.00 N ATOM 1346 CA GLY A 89 5.607 11.662 -0.248 1.00 0.00 C ATOM 1347 C GLY A 89 5.381 13.161 -0.279 1.00 0.00 C ATOM 1348 O GLY A 89 6.304 13.940 -0.039 1.00 0.00 O ATOM 0 H GLY A 89 4.272 10.048 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.435 11.436 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.900 11.321 -1.241 1.00 0.00 H new ATOM 1352 N LEU A 90 4.152 13.566 -0.577 1.00 0.00 N ATOM 1353 CA LEU A 90 3.807 14.982 -0.640 1.00 0.00 C ATOM 1354 C LEU A 90 2.861 15.364 0.493 1.00 0.00 C ATOM 1355 O LEU A 90 2.637 16.545 0.758 1.00 0.00 O ATOM 1356 CB LEU A 90 3.164 15.311 -1.989 1.00 0.00 C ATOM 1357 CG LEU A 90 4.125 15.698 -3.114 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.355 16.206 -4.323 1.00 0.00 C ATOM 1359 CD2 LEU A 90 5.116 16.747 -2.631 1.00 0.00 C ATOM 0 H LEU A 90 3.377 12.934 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 90 4.725 15.559 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.586 14.446 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.459 16.129 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 90 4.682 14.810 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.055 16.477 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.686 15.424 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.771 17.082 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.792 17.011 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.575 17.636 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.691 16.347 -1.796 1.00 0.00 H new ATOM 1371 N PHE A 91 2.310 14.356 1.162 1.00 0.00 N ATOM 1372 CA PHE A 91 1.388 14.586 2.268 1.00 0.00 C ATOM 1373 C PHE A 91 2.145 14.728 3.586 1.00 0.00 C ATOM 1374 O PHE A 91 2.930 13.856 3.960 1.00 0.00 O ATOM 1375 CB PHE A 91 0.381 13.439 2.368 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.604 13.601 3.490 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.256 13.263 4.788 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.876 14.092 3.248 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.161 13.411 5.823 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.785 14.242 4.278 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.426 13.902 5.568 1.00 0.00 C ATOM 0 H PHE A 91 2.486 13.372 0.957 1.00 0.00 H new ATOM 0 HA PHE A 91 0.852 15.515 2.074 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.163 13.361 1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.922 12.502 2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.733 12.880 4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.161 14.361 2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.878 13.143 6.830 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.774 14.624 4.075 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.133 14.020 6.375 1.00 0.00 H new ATOM 1391 N ASP A 92 1.905 15.833 4.283 1.00 0.00 N ATOM 1392 CA ASP A 92 2.562 16.090 5.559 1.00 0.00 C ATOM 1393 C ASP A 92 1.537 16.237 6.679 1.00 0.00 C ATOM 1394 O ASP A 92 0.405 16.660 6.446 1.00 0.00 O ATOM 1395 CB ASP A 92 3.422 17.352 5.468 1.00 0.00 C ATOM 1396 CG ASP A 92 4.797 17.076 4.892 1.00 0.00 C ATOM 1397 OD1 ASP A 92 4.956 16.047 4.203 1.00 0.00 O ATOM 1398 OD2 ASP A 92 5.714 17.889 5.130 1.00 0.00 O ATOM 0 H ASP A 92 1.260 16.565 3.986 1.00 0.00 H new ATOM 0 HA ASP A 92 3.203 15.238 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.913 18.091 4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.528 17.788 6.461 1.00 0.00 H new ATOM 1403 N ASP A 93 1.942 15.885 7.894 1.00 0.00 N ATOM 1404 CA ASP A 93 1.059 15.977 9.051 1.00 0.00 C ATOM 1405 C ASP A 93 0.789 17.435 9.414 1.00 0.00 C ATOM 1406 O ASP A 93 -0.323 17.793 9.801 1.00 0.00 O ATOM 1407 CB ASP A 93 1.670 15.246 10.247 1.00 0.00 C ATOM 1408 CG ASP A 93 1.012 15.627 11.558 1.00 0.00 C ATOM 1409 OD1 ASP A 93 1.435 16.634 12.164 1.00 0.00 O ATOM 1410 OD2 ASP A 93 0.072 14.920 11.977 1.00 0.00 O ATOM 0 H ASP A 93 2.876 15.533 8.103 1.00 0.00 H new ATOM 0 HA ASP A 93 0.112 15.504 8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.578 14.170 10.097 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.735 15.470 10.300 1.00 0.00 H new ATOM 1415 N ARG A 94 1.815 18.270 9.287 1.00 0.00 N ATOM 1416 CA ARG A 94 1.690 19.687 9.603 1.00 0.00 C ATOM 1417 C ARG A 94 0.810 20.398 8.579 1.00 0.00 C ATOM 1418 O ARG A 94 -0.158 21.069 8.937 1.00 0.00 O ATOM 1419 CB ARG A 94 3.070 20.345 9.649 1.00 0.00 C ATOM 1420 CG ARG A 94 3.900 19.938 10.856 1.00 0.00 C ATOM 1421 CD ARG A 94 4.881 21.030 11.252 1.00 0.00 C ATOM 1422 NE ARG A 94 5.308 20.904 12.643 1.00 0.00 N ATOM 1423 CZ ARG A 94 5.841 21.900 13.341 1.00 0.00 C ATOM 1424 NH1 ARG A 94 6.011 23.090 12.781 1.00 0.00 N ATOM 1425 NH2 ARG A 94 6.205 21.707 14.602 1.00 0.00 N ATOM 0 H ARG A 94 2.742 17.989 8.967 1.00 0.00 H new ATOM 0 HA ARG A 94 1.220 19.774 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.616 20.089 8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.947 21.428 9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.240 19.719 11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.446 19.021 10.631 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.753 20.988 10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.418 22.005 11.102 1.00 0.00 H new ATOM 0 HE ARG A 94 5.190 20.002 13.104 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.732 23.242 11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.421 23.853 13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.076 20.793 15.036 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.614 22.473 15.138 1.00 0.00 H new ATOM 1439 N SER A 95 1.153 20.244 7.304 1.00 0.00 N ATOM 1440 CA SER A 95 0.396 20.874 6.228 1.00 0.00 C ATOM 1441 C SER A 95 -1.036 20.350 6.191 1.00 0.00 C ATOM 1442 O SER A 95 -1.988 21.097 6.413 1.00 0.00 O ATOM 1443 CB SER A 95 1.078 20.623 4.882 1.00 0.00 C ATOM 1444 OG SER A 95 2.477 20.830 4.972 1.00 0.00 O ATOM 0 H SER A 95 1.949 19.689 6.991 1.00 0.00 H new ATOM 0 HA SER A 95 0.366 21.947 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.879 19.603 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.657 21.288 4.128 1.00 0.00 H new ATOM 0 HG SER A 95 2.889 20.661 4.099 1.00 0.00 H new ATOM 1450 N SER A 96 -1.180 19.059 5.910 1.00 0.00 N ATOM 1451 CA SER A 96 -2.495 18.433 5.840 1.00 0.00 C ATOM 1452 C SER A 96 -2.968 18.006 7.226 1.00 0.00 C ATOM 1453 O SER A 96 -2.171 17.886 8.156 1.00 0.00 O ATOM 1454 CB SER A 96 -2.458 17.222 4.906 1.00 0.00 C ATOM 1455 OG SER A 96 -2.671 17.611 3.560 1.00 0.00 O ATOM 0 H SER A 96 -0.402 18.426 5.727 1.00 0.00 H new ATOM 0 HA SER A 96 -3.198 19.166 5.445 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.495 16.719 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.221 16.504 5.206 1.00 0.00 H new ATOM 0 HG SER A 96 -2.542 16.838 2.972 1.00 0.00 H new ATOM 1461 N ALA A 97 -4.271 17.777 7.356 1.00 0.00 N ATOM 1462 CA ALA A 97 -4.851 17.362 8.627 1.00 0.00 C ATOM 1463 C ALA A 97 -5.525 16.000 8.503 1.00 0.00 C ATOM 1464 O ALA A 97 -6.369 15.791 7.630 1.00 0.00 O ATOM 1465 CB ALA A 97 -5.845 18.403 9.119 1.00 0.00 C ATOM 0 H ALA A 97 -4.945 17.872 6.596 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.045 17.274 9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.270 18.080 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.335 19.357 9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.643 18.520 8.385 1.00 0.00 H new ATOM 1471 N ILE A 98 -5.148 15.076 9.380 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.717 13.734 9.368 1.00 0.00 C ATOM 1473 C ILE A 98 -7.213 13.769 9.662 1.00 0.00 C ATOM 1474 O ILE A 98 -7.664 14.342 10.654 1.00 0.00 O ATOM 1475 CB ILE A 98 -5.026 12.820 10.397 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.576 12.557 9.984 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.787 11.510 10.538 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.438 11.990 8.588 1.00 0.00 C ATOM 0 H ILE A 98 -4.451 15.232 10.108 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.554 13.331 8.368 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.024 13.323 11.364 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.014 13.489 10.046 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.124 11.865 10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.286 10.875 11.269 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.804 11.714 10.872 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.817 11.001 9.575 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.384 11.829 8.363 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.971 11.041 8.526 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.860 12.691 7.867 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.004 13.140 8.779 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.462 13.083 8.923 1.00 0.00 C ATOM 1492 C PRO A 99 -9.895 12.201 10.089 1.00 0.00 C ATOM 1493 O PRO A 99 -9.061 11.688 10.835 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.926 12.480 7.595 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.758 11.695 7.107 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.536 12.436 7.574 1.00 0.00 C ATOM 0 HA PRO A 99 -9.890 14.063 9.134 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.801 11.844 7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.206 13.257 6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.775 10.681 7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.771 11.610 6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.715 11.755 7.800 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.174 13.132 6.817 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.204 12.028 10.239 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.748 11.206 11.314 1.00 0.00 C ATOM 1506 C ASP A 100 -11.774 9.734 10.912 1.00 0.00 C ATOM 1507 O ASP A 100 -11.582 9.395 9.744 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.158 11.673 11.678 1.00 0.00 C ATOM 1509 CG ASP A 100 -14.049 11.829 10.461 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -14.544 10.802 9.952 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.251 12.979 10.018 1.00 0.00 O ATOM 0 H ASP A 100 -11.908 12.446 9.630 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.102 11.315 12.185 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.609 10.957 12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.097 12.625 12.205 1.00 0.00 H new ATOM 1516 N PHE A 101 -12.011 8.864 11.888 1.00 0.00 N ATOM 1517 CA PHE A 101 -12.060 7.428 11.637 1.00 0.00 C ATOM 1518 C PHE A 101 -13.425 6.857 12.009 1.00 0.00 C ATOM 1519 O PHE A 101 -13.943 5.967 11.334 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.963 6.713 12.428 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.617 7.370 12.314 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -9.174 7.866 11.098 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.794 7.491 13.422 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.936 8.471 10.990 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.556 8.095 13.320 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.125 8.585 12.103 1.00 0.00 C ATOM 0 H PHE A 101 -12.172 9.128 12.860 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.896 7.265 10.572 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.251 6.673 13.478 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.887 5.683 12.079 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.803 7.779 10.225 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.124 7.109 14.377 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.603 8.854 10.037 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.925 8.184 14.192 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.157 9.056 12.021 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.003 7.376 13.088 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.307 6.917 13.551 1.00 0.00 C ATOM 1538 C ARG A 102 -16.313 6.892 12.405 1.00 0.00 C ATOM 1539 O ARG A 102 -17.231 6.071 12.389 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.819 7.820 14.675 1.00 0.00 C ATOM 1541 CG ARG A 102 -15.255 7.471 16.042 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.373 8.639 17.009 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.917 8.288 18.351 1.00 0.00 N ATOM 1544 CZ ARG A 102 -14.616 9.185 19.283 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -14.723 10.480 19.021 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -14.207 8.787 20.481 1.00 0.00 N ATOM 0 H ARG A 102 -13.589 8.114 13.657 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.193 5.902 13.933 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.568 8.855 14.441 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.906 7.757 14.713 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.785 6.608 16.446 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.208 7.184 15.942 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.787 9.479 16.636 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.411 8.969 17.054 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.825 7.300 18.586 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.037 10.790 18.101 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.491 11.166 19.739 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.124 7.791 20.687 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.976 9.477 21.196 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.135 7.796 11.449 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.027 7.878 10.298 1.00 0.00 C ATOM 1562 C ASP A 103 -16.316 7.430 9.025 1.00 0.00 C ATOM 1563 O ASP A 103 -15.316 8.013 8.606 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.548 9.306 10.130 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.453 9.731 11.270 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.617 9.280 11.303 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -17.996 10.513 12.129 1.00 0.00 O ATOM 0 H ASP A 103 -15.381 8.483 11.448 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.870 7.210 10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.704 9.992 10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -18.093 9.382 9.189 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.841 6.368 8.396 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.271 5.818 7.162 1.00 0.00 C ATOM 1574 C PRO A 104 -16.467 6.746 5.969 1.00 0.00 C ATOM 1575 O PRO A 104 -15.600 6.846 5.101 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.051 4.516 6.962 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.345 4.737 7.666 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.031 5.624 8.839 1.00 0.00 C ATOM 0 HA PRO A 104 -15.193 5.678 7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.207 4.307 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.514 3.665 7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.074 5.207 7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -18.776 3.792 7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.860 6.293 9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -17.830 5.043 9.739 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.610 7.422 5.932 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.919 8.342 4.844 1.00 0.00 C ATOM 1588 C GLN A 105 -16.787 9.344 4.640 1.00 0.00 C ATOM 1589 O GLN A 105 -16.334 9.565 3.517 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.227 9.082 5.129 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.877 9.669 3.886 1.00 0.00 C ATOM 1592 CD GLN A 105 -21.246 10.256 4.166 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.489 10.810 5.239 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -22.150 10.139 3.201 1.00 0.00 N ATOM 0 H GLN A 105 -18.338 7.350 6.643 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.032 7.759 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.927 8.395 5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -19.033 9.884 5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -19.231 10.444 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.967 8.892 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -21.906 9.672 2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -23.089 10.516 3.333 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.335 9.947 5.734 1.00 0.00 N ATOM 1604 CA LYS A 106 -15.255 10.926 5.677 1.00 0.00 C ATOM 1605 C LYS A 106 -13.973 10.291 5.147 1.00 0.00 C ATOM 1606 O LYS A 106 -13.446 10.703 4.114 1.00 0.00 O ATOM 1607 CB LYS A 106 -15.006 11.522 7.064 1.00 0.00 C ATOM 1608 CG LYS A 106 -16.208 12.252 7.637 1.00 0.00 C ATOM 1609 CD LYS A 106 -16.290 13.680 7.124 1.00 0.00 C ATOM 1610 CE LYS A 106 -17.249 14.517 7.956 1.00 0.00 C ATOM 1611 NZ LYS A 106 -17.546 15.826 7.311 1.00 0.00 N ATOM 0 H LYS A 106 -16.699 9.775 6.671 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.555 11.722 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.717 10.723 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.165 12.213 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -17.120 11.717 7.373 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.146 12.258 8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.299 14.133 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.617 13.676 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -18.178 13.966 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.819 14.688 8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.203 16.367 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.663 16.363 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.979 15.664 6.380 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.477 9.286 5.861 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.258 8.592 5.461 1.00 0.00 C ATOM 1627 C VAL A 107 -12.270 8.277 3.970 1.00 0.00 C ATOM 1628 O VAL A 107 -11.269 8.462 3.277 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.073 7.283 6.251 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.840 6.536 5.764 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -11.978 7.568 7.742 1.00 0.00 C ATOM 0 H VAL A 107 -13.900 8.934 6.720 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.426 9.260 5.681 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.944 6.650 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.725 5.614 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.953 6.298 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.958 7.161 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.848 6.631 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.126 8.220 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.892 8.057 8.078 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.409 7.800 3.481 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.553 7.459 2.070 1.00 0.00 C ATOM 1643 C LYS A 108 -13.020 8.579 1.183 1.00 0.00 C ATOM 1644 O LYS A 108 -12.085 8.377 0.408 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.022 7.187 1.738 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.281 6.971 0.257 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.563 6.190 0.023 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.966 6.207 -1.444 1.00 0.00 C ATOM 1649 NZ LYS A 108 -18.302 5.585 -1.659 1.00 0.00 N ATOM 0 H LYS A 108 -14.247 7.640 4.041 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.970 6.558 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.353 6.306 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.626 8.026 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.345 7.936 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.441 6.435 -0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.428 5.160 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.365 6.615 0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.982 7.236 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.219 5.675 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.541 5.616 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.280 4.596 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.020 6.108 -1.118 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.619 9.760 1.303 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.202 10.912 0.511 1.00 0.00 C ATOM 1665 C GLU A 109 -11.687 11.088 0.564 1.00 0.00 C ATOM 1666 O GLU A 109 -10.998 10.936 -0.445 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.892 12.181 1.014 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.377 12.235 0.694 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.651 12.708 -0.720 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.755 13.936 -0.924 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -15.763 11.852 -1.622 1.00 0.00 O ATOM 0 H GLU A 109 -14.394 9.944 1.940 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.494 10.735 -0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.759 12.253 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.402 13.050 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.811 11.245 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.873 12.902 1.399 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.176 11.412 1.747 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.743 11.611 1.932 1.00 0.00 C ATOM 1680 C PHE A 110 -8.946 10.520 1.223 1.00 0.00 C ATOM 1681 O PHE A 110 -7.964 10.800 0.535 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.397 11.625 3.422 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.921 11.569 3.695 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.191 10.429 3.401 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.263 12.657 4.246 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.833 10.374 3.651 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.905 12.609 4.497 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.189 11.466 4.201 1.00 0.00 C ATOM 0 H PHE A 110 -11.733 11.542 2.592 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.476 12.573 1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.808 12.528 3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.881 10.777 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.689 9.573 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.818 13.553 4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.276 9.479 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.404 13.465 4.924 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.128 11.426 4.399 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.376 9.275 1.396 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.703 8.140 0.774 1.00 0.00 C ATOM 1700 C LEU A 111 -8.639 8.308 -0.740 1.00 0.00 C ATOM 1701 O LEU A 111 -7.629 7.988 -1.367 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.427 6.838 1.124 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.963 6.134 2.400 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.774 4.870 2.637 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.478 5.811 2.321 1.00 0.00 C ATOM 0 H LEU A 111 -10.187 9.026 1.962 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.684 8.097 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.492 7.052 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.313 6.146 0.289 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.123 6.807 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.430 4.383 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.828 5.128 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.646 4.192 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.165 5.310 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.293 5.157 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.911 6.734 2.200 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.723 8.813 -1.321 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.788 9.026 -2.762 1.00 0.00 C ATOM 1719 C GLN A 112 -8.690 9.979 -3.222 1.00 0.00 C ATOM 1720 O GLN A 112 -7.935 9.670 -4.143 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.159 9.579 -3.155 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.295 8.589 -2.956 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.617 9.102 -3.493 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.673 10.147 -4.141 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.690 8.367 -3.225 1.00 0.00 N ATOM 0 H GLN A 112 -10.567 9.082 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.637 8.065 -3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.362 10.475 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.132 9.883 -4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.045 7.651 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.399 8.370 -1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.597 7.507 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.607 8.662 -3.560 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.609 11.137 -2.575 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.604 12.135 -2.921 1.00 0.00 C ATOM 1736 C GLU A 113 -6.203 11.532 -2.883 1.00 0.00 C ATOM 1737 O GLU A 113 -5.247 12.120 -3.390 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.684 13.325 -1.962 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.059 13.971 -1.908 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.495 14.527 -3.250 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.734 15.322 -3.840 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.599 14.166 -3.710 1.00 0.00 O ATOM 0 H GLU A 113 -9.226 11.407 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.806 12.480 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.408 12.994 -0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.951 14.074 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.789 13.236 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.050 14.774 -1.171 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.088 10.354 -2.278 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.806 9.669 -2.174 1.00 0.00 C ATOM 1751 C LYS A 114 -4.693 8.563 -3.218 1.00 0.00 C ATOM 1752 O LYS A 114 -3.609 8.291 -3.734 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.631 9.081 -0.772 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.438 8.150 -0.647 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.545 7.267 0.585 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.883 7.913 1.793 1.00 0.00 C ATOM 1757 NZ LYS A 114 -3.400 7.356 3.073 1.00 0.00 N ATOM 0 H LYS A 114 -6.868 9.854 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.017 10.399 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.522 9.896 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.536 8.537 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.368 7.526 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.521 8.737 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.595 7.073 0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.077 6.303 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.805 7.762 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.055 8.989 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.433 8.108 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.357 6.976 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.772 6.594 3.399 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.819 7.929 -3.526 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.847 6.852 -4.508 1.00 0.00 C ATOM 1773 C TYR A 115 -6.626 7.269 -5.752 1.00 0.00 C ATOM 1774 O TYR A 115 -6.108 7.220 -6.867 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.469 5.595 -3.900 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.791 5.137 -2.629 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.411 5.215 -2.488 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.530 4.627 -1.569 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.787 4.797 -1.329 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.914 4.208 -0.405 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.543 4.295 -0.290 1.00 0.00 C ATOM 1782 OH TYR A 115 -3.925 3.878 0.867 1.00 0.00 O ATOM 0 H TYR A 115 -6.725 8.143 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.820 6.635 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.522 5.785 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.430 4.789 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.816 5.609 -3.299 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.604 4.557 -1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.713 4.863 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.503 3.815 0.410 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.041 4.295 0.934 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.874 7.680 -5.551 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.725 8.105 -6.655 1.00 0.00 C ATOM 1794 C GLU A 116 -8.059 9.218 -7.459 1.00 0.00 C ATOM 1795 O GLU A 116 -7.873 9.099 -8.670 1.00 0.00 O ATOM 1796 CB GLU A 116 -10.081 8.582 -6.129 1.00 0.00 C ATOM 1797 CG GLU A 116 -11.227 8.349 -7.100 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.416 9.501 -8.067 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -11.751 10.613 -7.606 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -11.229 9.292 -9.284 1.00 0.00 O ATOM 0 H GLU A 116 -8.318 7.727 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.879 7.249 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.299 8.068 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.019 9.646 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.041 7.434 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.149 8.196 -6.538 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.702 10.300 -6.775 1.00 0.00 N ATOM 1808 CA LYS A 117 -7.056 11.436 -7.423 1.00 0.00 C ATOM 1809 C LYS A 117 -5.538 11.281 -7.404 1.00 0.00 C ATOM 1810 O LYS A 117 -4.839 11.814 -8.265 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.455 12.740 -6.729 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.906 12.771 -6.281 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.818 13.284 -7.384 1.00 0.00 C ATOM 1814 CE LYS A 117 -9.863 14.804 -7.408 1.00 0.00 C ATOM 1815 NZ LYS A 117 -8.689 15.382 -8.119 1.00 0.00 N ATOM 0 H LYS A 117 -7.849 10.414 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.388 11.468 -8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.812 12.892 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.275 13.573 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.218 11.769 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.003 13.408 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.469 12.914 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.824 12.891 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.781 15.133 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.892 15.183 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.968 16.268 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.930 15.576 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.348 14.706 -8.832 1.00 0.00 H new ATOM 1829 N LYS A 118 -5.035 10.547 -6.417 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.601 10.319 -6.287 1.00 0.00 C ATOM 1831 C LYS A 118 -2.845 11.642 -6.204 1.00 0.00 C ATOM 1832 O LYS A 118 -1.918 11.887 -6.976 1.00 0.00 O ATOM 1833 CB LYS A 118 -3.084 9.498 -7.471 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.124 7.999 -7.235 1.00 0.00 C ATOM 1835 CD LYS A 118 -1.997 7.289 -7.966 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.438 6.816 -9.343 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.687 7.956 -10.268 1.00 0.00 N ATOM 0 H LYS A 118 -5.600 10.100 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.429 9.763 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.679 9.734 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.058 9.796 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.051 7.796 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.083 7.603 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -1.146 7.962 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.661 6.436 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.672 6.166 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.346 6.220 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.701 7.610 -11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.603 8.393 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.931 8.662 -10.161 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.247 12.489 -5.262 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.607 13.786 -5.078 1.00 0.00 C ATOM 1853 C ARG A 119 -1.154 13.619 -4.644 1.00 0.00 C ATOM 1854 O ARG A 119 -0.231 13.952 -5.388 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.369 14.612 -4.040 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.069 16.101 -4.107 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.152 16.918 -3.422 1.00 0.00 C ATOM 1858 NE ARG A 119 -3.643 18.194 -2.924 1.00 0.00 N ATOM 1859 CZ ARG A 119 -4.322 18.985 -2.101 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -5.531 18.634 -1.685 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -3.791 20.130 -1.692 1.00 0.00 N ATOM 0 H ARG A 119 -4.012 12.300 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.625 14.310 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.439 14.459 -4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.123 14.245 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.107 16.301 -3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.983 16.410 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.966 17.101 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.568 16.345 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.716 18.494 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -5.942 17.754 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.050 19.244 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.861 20.403 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.313 20.737 -1.060 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.959 13.102 -3.436 1.00 0.00 N ATOM 1876 CA TRP A 120 0.382 12.891 -2.903 1.00 0.00 C ATOM 1877 C TRP A 120 0.932 11.535 -3.332 1.00 0.00 C ATOM 1878 O TRP A 120 1.422 10.764 -2.506 1.00 0.00 O ATOM 1879 CB TRP A 120 0.367 12.989 -1.376 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.529 14.074 -0.860 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.191 15.377 -0.631 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.911 13.948 -0.506 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.280 16.069 -0.157 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.347 15.215 -0.071 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.822 12.888 -0.515 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.653 15.448 0.350 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.118 13.121 -0.096 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.525 14.392 0.330 1.00 0.00 C ATOM 0 H TRP A 120 -1.712 12.821 -2.808 1.00 0.00 H new ATOM 0 HA TRP A 120 1.032 13.669 -3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.046 12.034 -0.961 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.382 13.166 -1.020 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.788 15.801 -0.798 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.291 17.058 0.091 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.519 11.905 -0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.968 16.427 0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.830 12.309 -0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.546 14.542 0.649 1.00 0.00 H new ATOM 1899 N TYR A 121 0.848 11.251 -4.626 1.00 0.00 N ATOM 1900 CA TYR A 121 1.336 9.986 -5.164 1.00 0.00 C ATOM 1901 C TYR A 121 2.766 10.127 -5.675 1.00 0.00 C ATOM 1902 O TYR A 121 2.993 10.498 -6.826 1.00 0.00 O ATOM 1903 CB TYR A 121 0.424 9.503 -6.293 1.00 0.00 C ATOM 1904 CG TYR A 121 1.035 8.407 -7.138 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.524 7.245 -6.555 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.122 8.534 -8.519 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.084 6.242 -7.322 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.679 7.536 -9.294 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.159 6.392 -8.691 1.00 0.00 C ATOM 1910 OH TYR A 121 2.714 5.394 -9.459 1.00 0.00 O ATOM 0 H TYR A 121 0.447 11.879 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 121 1.328 9.251 -4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.511 9.141 -5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.175 10.348 -6.934 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.465 7.124 -5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.748 9.429 -8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.461 5.345 -6.852 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.738 7.651 -10.366 1.00 0.00 H new ATOM 0 HH TYR A 121 2.689 5.656 -10.403 1.00 0.00 H new ATOM 1920 N VAL A 122 3.729 9.827 -4.809 1.00 0.00 N ATOM 1921 CA VAL A 122 5.139 9.917 -5.171 1.00 0.00 C ATOM 1922 C VAL A 122 5.816 8.554 -5.085 1.00 0.00 C ATOM 1923 O VAL A 122 6.170 8.076 -4.008 1.00 0.00 O ATOM 1924 CB VAL A 122 5.889 10.909 -4.262 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.359 10.980 -4.648 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.244 12.285 -4.331 1.00 0.00 C ATOM 0 H VAL A 122 3.558 9.519 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 122 5.180 10.276 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 122 5.825 10.554 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.873 11.686 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.811 9.994 -4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.448 11.312 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.786 12.974 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.276 12.651 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.207 12.218 -4.002 1.00 0.00 H new ATOM 1936 N PRO A 123 6.003 7.913 -6.248 1.00 0.00 N ATOM 1937 CA PRO A 123 6.641 6.596 -6.332 1.00 0.00 C ATOM 1938 C PRO A 123 8.131 6.652 -6.011 1.00 0.00 C ATOM 1939 O PRO A 123 8.766 7.704 -6.079 1.00 0.00 O ATOM 1940 CB PRO A 123 6.424 6.188 -7.791 1.00 0.00 C ATOM 1941 CG PRO A 123 6.278 7.476 -8.526 1.00 0.00 C ATOM 1942 CD PRO A 123 5.607 8.424 -7.571 1.00 0.00 C ATOM 0 HA PRO A 123 6.221 5.894 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.266 5.609 -8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.535 5.567 -7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.249 7.859 -8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.682 7.345 -9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.942 9.450 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.524 8.420 -7.696 1.00 0.00 H new ATOM 1950 N PRO A 124 8.704 5.493 -5.653 1.00 0.00 N ATOM 1951 CA PRO A 124 10.127 5.384 -5.315 1.00 0.00 C ATOM 1952 C PRO A 124 11.027 5.566 -6.532 1.00 0.00 C ATOM 1953 O PRO A 124 12.203 5.903 -6.400 1.00 0.00 O ATOM 1954 CB PRO A 124 10.253 3.962 -4.765 1.00 0.00 C ATOM 1955 CG PRO A 124 9.130 3.211 -5.394 1.00 0.00 C ATOM 1956 CD PRO A 124 8.008 4.200 -5.551 1.00 0.00 C ATOM 0 HA PRO A 124 10.439 6.157 -4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.217 3.522 -5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.177 3.950 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.427 2.801 -6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.825 2.370 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.412 3.993 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.329 4.176 -4.699 1.00 0.00 H new ATOM 1964 N GLU A 125 10.466 5.342 -7.717 1.00 0.00 N ATOM 1965 CA GLU A 125 11.220 5.482 -8.957 1.00 0.00 C ATOM 1966 C GLU A 125 11.792 6.890 -9.090 1.00 0.00 C ATOM 1967 O GLU A 125 12.807 7.098 -9.755 1.00 0.00 O ATOM 1968 CB GLU A 125 10.329 5.166 -10.160 1.00 0.00 C ATOM 1969 CG GLU A 125 10.008 3.688 -10.308 1.00 0.00 C ATOM 1970 CD GLU A 125 11.130 2.911 -10.969 1.00 0.00 C ATOM 1971 OE1 GLU A 125 11.591 3.338 -12.049 1.00 0.00 O ATOM 1972 OE2 GLU A 125 11.547 1.876 -10.408 1.00 0.00 O ATOM 0 H GLU A 125 9.493 5.063 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 125 12.048 4.773 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 125 9.397 5.724 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.821 5.515 -11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.807 3.263 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.097 3.575 -10.896 1.00 0.00 H new ATOM 1979 N GLN A 126 11.133 7.853 -8.454 1.00 0.00 N ATOM 1980 CA GLN A 126 11.575 9.242 -8.503 1.00 0.00 C ATOM 1981 C GLN A 126 11.695 9.825 -7.099 1.00 0.00 C ATOM 1982 O GLN A 126 11.438 11.009 -6.884 1.00 0.00 O ATOM 1983 CB GLN A 126 10.602 10.080 -9.335 1.00 0.00 C ATOM 1984 CG GLN A 126 10.300 9.484 -10.700 1.00 0.00 C ATOM 1985 CD GLN A 126 11.499 9.510 -11.627 1.00 0.00 C ATOM 1986 OE1 GLN A 126 12.552 10.048 -11.284 1.00 0.00 O ATOM 1987 NE2 GLN A 126 11.345 8.927 -12.810 1.00 0.00 N ATOM 0 H GLN A 126 10.292 7.697 -7.899 1.00 0.00 H new ATOM 0 HA GLN A 126 12.558 9.268 -8.972 1.00 0.00 H new ATOM 0 HB2 GLN A 126 9.669 10.193 -8.783 1.00 0.00 H new ATOM 0 HB3 GLN A 126 11.017 11.079 -9.468 1.00 0.00 H new ATOM 0 HG2 GLN A 126 9.964 8.455 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 126 9.479 10.035 -11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.454 8.493 -13.053 1.00 0.00 H new ATOM 0 HE22 GLN A 126 12.117 8.913 -13.476 1.00 0.00 H new ATOM 1996 N ALA A 127 12.086 8.984 -6.146 1.00 0.00 N ATOM 1997 CA ALA A 127 12.241 9.417 -4.763 1.00 0.00 C ATOM 1998 C ALA A 127 13.670 9.202 -4.277 1.00 0.00 C ATOM 1999 O ALA A 127 14.510 8.667 -5.003 1.00 0.00 O ATOM 2000 CB ALA A 127 11.260 8.677 -3.865 1.00 0.00 C ATOM 0 H ALA A 127 12.301 8.000 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 127 12.026 10.485 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 127 11.387 9.010 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.241 8.885 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.449 7.605 -3.925 1.00 0.00 H new ATOM 2006 N LYS A 128 13.942 9.622 -3.046 1.00 0.00 N ATOM 2007 CA LYS A 128 15.270 9.475 -2.463 1.00 0.00 C ATOM 2008 C LYS A 128 15.863 8.110 -2.796 1.00 0.00 C ATOM 2009 O LYS A 128 15.138 7.124 -2.932 1.00 0.00 O ATOM 2010 CB LYS A 128 15.206 9.659 -0.945 1.00 0.00 C ATOM 2011 CG LYS A 128 14.918 11.087 -0.516 1.00 0.00 C ATOM 2012 CD LYS A 128 15.079 11.262 0.984 1.00 0.00 C ATOM 2013 CE LYS A 128 15.005 12.728 1.386 1.00 0.00 C ATOM 2014 NZ LYS A 128 13.604 13.164 1.638 1.00 0.00 N ATOM 0 H LYS A 128 13.260 10.067 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 128 15.914 10.244 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.434 9.005 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.153 9.342 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 128 15.592 11.767 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.903 11.358 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.301 10.702 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 128 16.035 10.845 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 128 15.602 12.889 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.441 13.343 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.596 14.168 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.039 13.034 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.196 12.595 2.407 1.00 0.00 H new ATOM 2028 N SER A 129 17.185 8.059 -2.924 1.00 0.00 N ATOM 2029 CA SER A 129 17.874 6.814 -3.243 1.00 0.00 C ATOM 2030 C SER A 129 18.328 6.103 -1.972 1.00 0.00 C ATOM 2031 O SER A 129 19.058 6.667 -1.158 1.00 0.00 O ATOM 2032 CB SER A 129 19.080 7.091 -4.144 1.00 0.00 C ATOM 2033 OG SER A 129 19.360 5.979 -4.976 1.00 0.00 O ATOM 0 H SER A 129 17.800 8.865 -2.812 1.00 0.00 H new ATOM 0 HA SER A 129 17.175 6.166 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 129 18.884 7.969 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 129 19.952 7.319 -3.531 1.00 0.00 H new ATOM 0 HG SER A 129 20.133 6.181 -5.543 1.00 0.00 H new ATOM 2039 N GLY A 130 17.889 4.859 -1.808 1.00 0.00 N ATOM 2040 CA GLY A 130 18.259 4.089 -0.635 1.00 0.00 C ATOM 2041 C GLY A 130 18.630 2.659 -0.972 1.00 0.00 C ATOM 2042 O GLY A 130 17.786 1.762 -0.983 1.00 0.00 O ATOM 0 H GLY A 130 17.283 4.370 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 130 19.101 4.572 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 130 17.429 4.089 0.072 1.00 0.00 H new ATOM 2046 N PRO A 131 19.920 2.429 -1.257 1.00 0.00 N ATOM 2047 CA PRO A 131 20.430 1.099 -1.603 1.00 0.00 C ATOM 2048 C PRO A 131 20.423 0.148 -0.411 1.00 0.00 C ATOM 2049 O PRO A 131 20.817 -1.012 -0.529 1.00 0.00 O ATOM 2050 CB PRO A 131 21.866 1.377 -2.057 1.00 0.00 C ATOM 2051 CG PRO A 131 22.244 2.641 -1.365 1.00 0.00 C ATOM 2052 CD PRO A 131 20.981 3.451 -1.263 1.00 0.00 C ATOM 0 HA PRO A 131 19.816 0.611 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 131 22.533 0.560 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 131 21.925 1.486 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 131 22.657 2.437 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 131 23.009 3.179 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 131 20.963 4.054 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 131 20.874 4.136 -2.104 1.00 0.00 H new ATOM 2060 N SER A 132 19.971 0.646 0.735 1.00 0.00 N ATOM 2061 CA SER A 132 19.915 -0.160 1.949 1.00 0.00 C ATOM 2062 C SER A 132 18.495 -0.656 2.208 1.00 0.00 C ATOM 2063 O SER A 132 18.280 -1.832 2.498 1.00 0.00 O ATOM 2064 CB SER A 132 20.410 0.652 3.148 1.00 0.00 C ATOM 2065 OG SER A 132 20.849 -0.199 4.193 1.00 0.00 O ATOM 0 H SER A 132 19.638 1.603 0.849 1.00 0.00 H new ATOM 0 HA SER A 132 20.564 -1.025 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 132 21.227 1.304 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 132 19.609 1.296 3.511 1.00 0.00 H new ATOM 0 HG SER A 132 21.162 0.343 4.947 1.00 0.00 H new ATOM 2071 N SER A 133 17.530 0.251 2.099 1.00 0.00 N ATOM 2072 CA SER A 133 16.130 -0.091 2.325 1.00 0.00 C ATOM 2073 C SER A 133 15.529 -0.760 1.092 1.00 0.00 C ATOM 2074 O SER A 133 14.361 -1.146 1.089 1.00 0.00 O ATOM 2075 CB SER A 133 15.328 1.161 2.682 1.00 0.00 C ATOM 2076 OG SER A 133 15.671 2.245 1.837 1.00 0.00 O ATOM 0 H SER A 133 17.691 1.228 1.856 1.00 0.00 H new ATOM 0 HA SER A 133 16.083 -0.793 3.158 1.00 0.00 H new ATOM 0 HB2 SER A 133 14.262 0.951 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 133 15.515 1.432 3.721 1.00 0.00 H new ATOM 0 HG SER A 133 15.143 3.033 2.085 1.00 0.00 H new ATOM 2082 N GLY A 134 16.338 -0.893 0.045 1.00 0.00 N ATOM 2083 CA GLY A 134 15.870 -1.514 -1.180 1.00 0.00 C ATOM 2084 C GLY A 134 16.384 -0.811 -2.420 1.00 0.00 C ATOM 2085 O GLY A 134 16.278 0.412 -2.503 1.00 0.00 O ATOM 0 H GLY A 134 17.309 -0.582 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 134 16.188 -2.557 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.780 -1.513 -1.191 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.400 0.493 8.685 1.00 0.00 ZN