USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot 180:sc= -0.0176 USER MOD Set 1.2: A 24 GLN : amide:sc=-0.000196 K(o=-0.018,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0274 (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= -0.0112 USER MOD Single : A 6 SER OG : rot 25:sc= 0.454 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0272) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0277 (180deg=-0.246) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 126:sc= -0.0983 (180deg=-0.475) USER MOD Single : A 31 SER OG : rot -100:sc= -0.362 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.00279 X(o=-0.0028,f=-0.25) USER MOD Single : A 50 THR OG1 : rot -83:sc= 0.97 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -100:sc= 0.408 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.039 K(o=-0.039,f=-1.4) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= -0.0136 (180deg=-0.221) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.580 -27.569 -13.167 1.00 0.00 N ATOM 2 CA GLY A 1 -0.999 -26.285 -13.697 1.00 0.00 C ATOM 3 C GLY A 1 -0.109 -25.148 -13.234 1.00 0.00 C ATOM 4 O GLY A 1 0.482 -25.212 -12.155 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.407 -28.076 -12.791 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.144 -28.132 -13.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.111 -27.421 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.994 -26.326 -14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.026 -26.086 -13.390 1.00 0.00 H new ATOM 8 N SER A 2 -0.011 -24.104 -14.051 1.00 0.00 N ATOM 9 CA SER A 2 0.817 -22.950 -13.722 1.00 0.00 C ATOM 10 C SER A 2 0.392 -21.728 -14.530 1.00 0.00 C ATOM 11 O SER A 2 -0.194 -21.854 -15.606 1.00 0.00 O ATOM 12 CB SER A 2 2.291 -23.263 -13.986 1.00 0.00 C ATOM 13 OG SER A 2 2.561 -23.315 -15.377 1.00 0.00 O ATOM 0 H SER A 2 -0.495 -24.034 -14.946 1.00 0.00 H new ATOM 0 HA SER A 2 0.684 -22.728 -12.663 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.917 -22.502 -13.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.552 -24.216 -13.526 1.00 0.00 H new ATOM 0 HG SER A 2 3.510 -23.515 -15.519 1.00 0.00 H new ATOM 19 N SER A 3 0.692 -20.545 -14.004 1.00 0.00 N ATOM 20 CA SER A 3 0.338 -19.299 -14.672 1.00 0.00 C ATOM 21 C SER A 3 1.097 -18.122 -14.067 1.00 0.00 C ATOM 22 O SER A 3 1.669 -18.230 -12.983 1.00 0.00 O ATOM 23 CB SER A 3 -1.169 -19.053 -14.574 1.00 0.00 C ATOM 24 OG SER A 3 -1.599 -19.050 -13.224 1.00 0.00 O ATOM 0 H SER A 3 1.180 -20.424 -13.116 1.00 0.00 H new ATOM 0 HA SER A 3 0.617 -19.387 -15.722 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.416 -18.099 -15.040 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.703 -19.825 -15.127 1.00 0.00 H new ATOM 0 HG SER A 3 -2.565 -18.889 -13.189 1.00 0.00 H new ATOM 30 N GLY A 4 1.096 -16.997 -14.775 1.00 0.00 N ATOM 31 CA GLY A 4 1.788 -15.816 -14.292 1.00 0.00 C ATOM 32 C GLY A 4 2.387 -14.995 -15.417 1.00 0.00 C ATOM 33 O GLY A 4 3.457 -15.321 -15.931 1.00 0.00 O ATOM 0 H GLY A 4 0.629 -16.882 -15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.092 -15.197 -13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.579 -16.117 -13.605 1.00 0.00 H new ATOM 37 N SER A 5 1.695 -13.927 -15.802 1.00 0.00 N ATOM 38 CA SER A 5 2.162 -13.060 -16.877 1.00 0.00 C ATOM 39 C SER A 5 2.523 -11.677 -16.342 1.00 0.00 C ATOM 40 O SER A 5 2.020 -11.252 -15.302 1.00 0.00 O ATOM 41 CB SER A 5 1.091 -12.935 -17.962 1.00 0.00 C ATOM 42 OG SER A 5 1.517 -12.072 -19.002 1.00 0.00 O ATOM 0 H SER A 5 0.809 -13.642 -15.385 1.00 0.00 H new ATOM 0 HA SER A 5 3.057 -13.509 -17.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.867 -13.920 -18.371 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.168 -12.554 -17.524 1.00 0.00 H new ATOM 0 HG SER A 5 0.816 -12.010 -19.684 1.00 0.00 H new ATOM 48 N SER A 6 3.398 -10.982 -17.059 1.00 0.00 N ATOM 49 CA SER A 6 3.831 -9.648 -16.656 1.00 0.00 C ATOM 50 C SER A 6 4.147 -8.788 -17.876 1.00 0.00 C ATOM 51 O SER A 6 5.006 -9.131 -18.686 1.00 0.00 O ATOM 52 CB SER A 6 5.060 -9.741 -15.750 1.00 0.00 C ATOM 53 OG SER A 6 6.156 -10.325 -16.436 1.00 0.00 O ATOM 0 H SER A 6 3.822 -11.320 -17.923 1.00 0.00 H new ATOM 0 HA SER A 6 3.016 -9.179 -16.104 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.334 -8.746 -15.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.821 -10.334 -14.867 1.00 0.00 H new ATOM 0 HG SER A 6 6.050 -10.186 -17.400 1.00 0.00 H new ATOM 59 N GLY A 7 3.444 -7.666 -17.997 1.00 0.00 N ATOM 60 CA GLY A 7 3.663 -6.772 -19.120 1.00 0.00 C ATOM 61 C GLY A 7 4.086 -5.385 -18.682 1.00 0.00 C ATOM 62 O GLY A 7 3.550 -4.839 -17.718 1.00 0.00 O ATOM 0 H GLY A 7 2.728 -7.360 -17.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.428 -7.193 -19.772 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.748 -6.701 -19.708 1.00 0.00 H new ATOM 66 N ALA A 8 5.054 -4.811 -19.390 1.00 0.00 N ATOM 67 CA ALA A 8 5.548 -3.478 -19.069 1.00 0.00 C ATOM 68 C ALA A 8 5.586 -2.593 -20.312 1.00 0.00 C ATOM 69 O ALA A 8 5.731 -3.083 -21.431 1.00 0.00 O ATOM 70 CB ALA A 8 6.931 -3.567 -18.440 1.00 0.00 C ATOM 0 H ALA A 8 5.511 -5.249 -20.190 1.00 0.00 H new ATOM 0 HA ALA A 8 4.863 -3.025 -18.353 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.289 -2.565 -18.205 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.877 -4.157 -17.525 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.619 -4.043 -19.139 1.00 0.00 H new ATOM 76 N TYR A 9 5.455 -1.287 -20.105 1.00 0.00 N ATOM 77 CA TYR A 9 5.470 -0.334 -21.207 1.00 0.00 C ATOM 78 C TYR A 9 6.407 0.832 -20.906 1.00 0.00 C ATOM 79 O TYR A 9 6.706 1.139 -19.753 1.00 0.00 O ATOM 80 CB TYR A 9 4.059 0.188 -21.479 1.00 0.00 C ATOM 81 CG TYR A 9 3.190 -0.785 -22.244 1.00 0.00 C ATOM 82 CD1 TYR A 9 3.493 -1.135 -23.555 1.00 0.00 C ATOM 83 CD2 TYR A 9 2.068 -1.357 -21.657 1.00 0.00 C ATOM 84 CE1 TYR A 9 2.701 -2.022 -24.258 1.00 0.00 C ATOM 85 CE2 TYR A 9 1.273 -2.246 -22.352 1.00 0.00 C ATOM 86 CZ TYR A 9 1.594 -2.576 -23.652 1.00 0.00 C ATOM 87 OH TYR A 9 0.803 -3.462 -24.349 1.00 0.00 O ATOM 0 H TYR A 9 5.337 -0.865 -19.184 1.00 0.00 H new ATOM 0 HA TYR A 9 5.835 -0.851 -22.095 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.578 0.422 -20.529 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.127 1.120 -22.040 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.362 -0.706 -24.032 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.813 -1.102 -20.639 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.948 -2.280 -25.277 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.404 -2.681 -21.880 1.00 0.00 H new ATOM 0 HH TYR A 9 0.065 -3.761 -23.778 1.00 0.00 H new ATOM 97 N PRO A 10 6.880 1.500 -21.969 1.00 0.00 N ATOM 98 CA PRO A 10 7.788 2.644 -21.844 1.00 0.00 C ATOM 99 C PRO A 10 7.098 3.871 -21.258 1.00 0.00 C ATOM 100 O PRO A 10 7.711 4.928 -21.112 1.00 0.00 O ATOM 101 CB PRO A 10 8.220 2.912 -23.290 1.00 0.00 C ATOM 102 CG PRO A 10 7.109 2.374 -24.123 1.00 0.00 C ATOM 103 CD PRO A 10 6.565 1.189 -23.373 1.00 0.00 C ATOM 0 HA PRO A 10 8.617 2.435 -21.168 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.368 3.977 -23.468 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.163 2.416 -23.520 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.336 3.127 -24.276 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.468 2.080 -25.109 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.492 1.073 -23.528 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.036 0.260 -23.694 1.00 0.00 H new ATOM 111 N ASP A 11 5.820 3.723 -20.927 1.00 0.00 N ATOM 112 CA ASP A 11 5.047 4.819 -20.356 1.00 0.00 C ATOM 113 C ASP A 11 4.451 4.420 -19.009 1.00 0.00 C ATOM 114 O ASP A 11 4.080 3.265 -18.800 1.00 0.00 O ATOM 115 CB ASP A 11 3.932 5.240 -21.315 1.00 0.00 C ATOM 116 CG ASP A 11 2.713 4.345 -21.214 1.00 0.00 C ATOM 117 OD1 ASP A 11 1.836 4.629 -20.372 1.00 0.00 O ATOM 118 OD2 ASP A 11 2.636 3.358 -21.977 1.00 0.00 O ATOM 0 H ASP A 11 5.298 2.855 -21.044 1.00 0.00 H new ATOM 0 HA ASP A 11 5.720 5.662 -20.201 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.642 6.269 -21.101 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.310 5.221 -22.337 1.00 0.00 H new ATOM 123 N PHE A 12 4.365 5.383 -18.098 1.00 0.00 N ATOM 124 CA PHE A 12 3.816 5.132 -16.769 1.00 0.00 C ATOM 125 C PHE A 12 2.427 5.748 -16.628 1.00 0.00 C ATOM 126 O PHE A 12 2.170 6.844 -17.128 1.00 0.00 O ATOM 127 CB PHE A 12 4.748 5.695 -15.695 1.00 0.00 C ATOM 128 CG PHE A 12 4.525 7.153 -15.411 1.00 0.00 C ATOM 129 CD1 PHE A 12 4.900 8.117 -16.333 1.00 0.00 C ATOM 130 CD2 PHE A 12 3.938 7.560 -14.223 1.00 0.00 C ATOM 131 CE1 PHE A 12 4.696 9.459 -16.074 1.00 0.00 C ATOM 132 CE2 PHE A 12 3.731 8.900 -13.959 1.00 0.00 C ATOM 133 CZ PHE A 12 4.109 9.851 -14.887 1.00 0.00 C ATOM 0 H PHE A 12 4.668 6.344 -18.255 1.00 0.00 H new ATOM 0 HA PHE A 12 3.730 4.053 -16.637 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.611 5.129 -14.774 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.781 5.548 -16.009 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.357 7.816 -17.264 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.639 6.820 -13.495 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.995 10.201 -16.799 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.274 9.204 -13.029 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.946 10.899 -14.685 1.00 0.00 H new ATOM 143 N ALA A 13 1.537 5.037 -15.944 1.00 0.00 N ATOM 144 CA ALA A 13 0.177 5.514 -15.736 1.00 0.00 C ATOM 145 C ALA A 13 0.120 6.536 -14.606 1.00 0.00 C ATOM 146 O ALA A 13 1.054 6.676 -13.817 1.00 0.00 O ATOM 147 CB ALA A 13 -0.754 4.345 -15.441 1.00 0.00 C ATOM 0 H ALA A 13 1.734 4.128 -15.525 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.153 6.005 -16.652 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.767 4.717 -15.288 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.745 3.652 -16.282 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.417 3.829 -14.542 1.00 0.00 H new ATOM 153 N PRO A 14 -1.001 7.267 -14.525 1.00 0.00 N ATOM 154 CA PRO A 14 -1.205 8.290 -13.494 1.00 0.00 C ATOM 155 C PRO A 14 -1.382 7.686 -12.106 1.00 0.00 C ATOM 156 O PRO A 14 -1.541 6.475 -11.963 1.00 0.00 O ATOM 157 CB PRO A 14 -2.492 8.991 -13.942 1.00 0.00 C ATOM 158 CG PRO A 14 -3.217 7.971 -14.751 1.00 0.00 C ATOM 159 CD PRO A 14 -2.155 7.153 -15.433 1.00 0.00 C ATOM 0 HA PRO A 14 -0.348 8.958 -13.405 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.086 9.313 -13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.273 9.881 -14.531 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.845 7.345 -14.118 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.873 8.446 -15.481 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.466 6.116 -15.559 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.925 7.540 -16.426 1.00 0.00 H new ATOM 167 N GLN A 15 -1.356 8.539 -11.087 1.00 0.00 N ATOM 168 CA GLN A 15 -1.514 8.088 -9.709 1.00 0.00 C ATOM 169 C GLN A 15 -2.964 7.714 -9.421 1.00 0.00 C ATOM 170 O GLN A 15 -3.872 8.086 -10.165 1.00 0.00 O ATOM 171 CB GLN A 15 -1.054 9.178 -8.738 1.00 0.00 C ATOM 172 CG GLN A 15 -1.875 10.453 -8.822 1.00 0.00 C ATOM 173 CD GLN A 15 -1.431 11.362 -9.950 1.00 0.00 C ATOM 174 OE1 GLN A 15 -0.247 11.675 -10.082 1.00 0.00 O ATOM 175 NE2 GLN A 15 -2.380 11.792 -10.774 1.00 0.00 N ATOM 0 H GLN A 15 -1.227 9.546 -11.189 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.895 7.202 -9.570 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.103 8.791 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.009 9.415 -8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.925 10.195 -8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.801 10.991 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.349 11.508 -10.628 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.140 12.406 -11.552 1.00 0.00 H new ATOM 184 N LYS A 16 -3.175 6.975 -8.338 1.00 0.00 N ATOM 185 CA LYS A 16 -4.514 6.549 -7.950 1.00 0.00 C ATOM 186 C LYS A 16 -4.660 6.526 -6.431 1.00 0.00 C ATOM 187 O LYS A 16 -4.159 5.621 -5.764 1.00 0.00 O ATOM 188 CB LYS A 16 -4.816 5.163 -8.523 1.00 0.00 C ATOM 189 CG LYS A 16 -6.196 4.643 -8.159 1.00 0.00 C ATOM 190 CD LYS A 16 -6.401 3.218 -8.644 1.00 0.00 C ATOM 191 CE LYS A 16 -7.763 2.678 -8.232 1.00 0.00 C ATOM 192 NZ LYS A 16 -7.855 1.203 -8.422 1.00 0.00 N ATOM 0 H LYS A 16 -2.435 6.658 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.228 7.267 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.725 5.200 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.065 4.459 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.327 4.683 -7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.957 5.290 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.309 3.185 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.617 2.578 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.949 2.922 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.541 3.169 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.797 0.874 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.702 0.972 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.130 0.733 -7.844 1.00 0.00 H new ATOM 206 N PHE A 17 -5.348 7.527 -5.893 1.00 0.00 N ATOM 207 CA PHE A 17 -5.560 7.620 -4.452 1.00 0.00 C ATOM 208 C PHE A 17 -6.817 6.863 -4.038 1.00 0.00 C ATOM 209 O PHE A 17 -7.828 6.880 -4.740 1.00 0.00 O ATOM 210 CB PHE A 17 -5.670 9.086 -4.027 1.00 0.00 C ATOM 211 CG PHE A 17 -6.791 9.824 -4.703 1.00 0.00 C ATOM 212 CD1 PHE A 17 -8.078 9.772 -4.193 1.00 0.00 C ATOM 213 CD2 PHE A 17 -6.557 10.569 -5.847 1.00 0.00 C ATOM 214 CE1 PHE A 17 -9.113 10.451 -4.811 1.00 0.00 C ATOM 215 CE2 PHE A 17 -7.587 11.249 -6.471 1.00 0.00 C ATOM 216 CZ PHE A 17 -8.866 11.189 -5.951 1.00 0.00 C ATOM 0 H PHE A 17 -5.768 8.285 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.704 7.167 -3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.814 9.133 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.729 9.591 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.276 9.194 -3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.559 10.619 -6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.112 10.404 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.392 11.826 -7.363 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.672 11.719 -6.436 1.00 0.00 H new ATOM 226 N LYS A 18 -6.748 6.197 -2.890 1.00 0.00 N ATOM 227 CA LYS A 18 -7.879 5.432 -2.378 1.00 0.00 C ATOM 228 C LYS A 18 -7.949 5.519 -0.857 1.00 0.00 C ATOM 229 O LYS A 18 -7.012 5.983 -0.208 1.00 0.00 O ATOM 230 CB LYS A 18 -7.770 3.968 -2.813 1.00 0.00 C ATOM 231 CG LYS A 18 -8.375 3.693 -4.179 1.00 0.00 C ATOM 232 CD LYS A 18 -9.887 3.569 -4.105 1.00 0.00 C ATOM 233 CE LYS A 18 -10.439 2.770 -5.274 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.622 3.614 -6.487 1.00 0.00 N ATOM 0 H LYS A 18 -5.919 6.172 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.793 5.859 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.719 3.679 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.265 3.340 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.108 4.497 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.953 2.774 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.168 3.087 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.335 4.563 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.762 1.947 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.394 2.327 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.919 3.016 -7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.351 4.333 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.724 4.083 -6.722 1.00 0.00 H new ATOM 248 N GLU A 19 -9.066 5.065 -0.295 1.00 0.00 N ATOM 249 CA GLU A 19 -9.257 5.091 1.150 1.00 0.00 C ATOM 250 C GLU A 19 -9.386 3.676 1.708 1.00 0.00 C ATOM 251 O GLU A 19 -10.291 2.930 1.334 1.00 0.00 O ATOM 252 CB GLU A 19 -10.501 5.908 1.508 1.00 0.00 C ATOM 253 CG GLU A 19 -10.338 7.400 1.273 1.00 0.00 C ATOM 254 CD GLU A 19 -10.393 7.769 -0.195 1.00 0.00 C ATOM 255 OE1 GLU A 19 -11.513 7.903 -0.732 1.00 0.00 O ATOM 256 OE2 GLU A 19 -9.316 7.923 -0.810 1.00 0.00 O ATOM 0 H GLU A 19 -9.850 4.676 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.381 5.561 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.344 5.546 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.747 5.739 2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.122 7.936 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.386 7.728 1.691 1.00 0.00 H new ATOM 263 N LYS A 20 -8.474 3.315 2.605 1.00 0.00 N ATOM 264 CA LYS A 20 -8.484 1.990 3.214 1.00 0.00 C ATOM 265 C LYS A 20 -9.230 2.009 4.545 1.00 0.00 C ATOM 266 O LYS A 20 -9.350 3.055 5.186 1.00 0.00 O ATOM 267 CB LYS A 20 -7.053 1.495 3.428 1.00 0.00 C ATOM 268 CG LYS A 20 -6.403 0.950 2.168 1.00 0.00 C ATOM 269 CD LYS A 20 -4.886 0.985 2.262 1.00 0.00 C ATOM 270 CE LYS A 20 -4.238 0.855 0.891 1.00 0.00 C ATOM 271 NZ LYS A 20 -4.445 2.076 0.065 1.00 0.00 N ATOM 0 H LYS A 20 -7.719 3.921 2.926 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.001 1.310 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.448 2.315 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.057 0.716 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.734 -0.075 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.729 1.535 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.571 1.919 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.542 0.176 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.170 0.673 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.653 -0.009 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.769 2.079 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.415 2.081 -0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.296 2.922 0.652 1.00 0.00 H new ATOM 285 N THR A 21 -9.730 0.848 4.955 1.00 0.00 N ATOM 286 CA THR A 21 -10.464 0.732 6.208 1.00 0.00 C ATOM 287 C THR A 21 -9.532 0.879 7.407 1.00 0.00 C ATOM 288 O THR A 21 -8.326 0.666 7.294 1.00 0.00 O ATOM 289 CB THR A 21 -11.200 -0.617 6.306 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.296 -1.690 6.024 1.00 0.00 O ATOM 291 CG2 THR A 21 -12.371 -0.665 5.337 1.00 0.00 C ATOM 0 H THR A 21 -9.640 -0.026 4.437 1.00 0.00 H new ATOM 0 HA THR A 21 -11.197 1.538 6.220 1.00 0.00 H new ATOM 0 HB THR A 21 -11.584 -0.724 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.772 -2.544 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.876 -1.627 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.072 0.135 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.006 -0.538 4.318 1.00 0.00 H new ATOM 299 N GLN A 22 -10.101 1.241 8.552 1.00 0.00 N ATOM 300 CA GLN A 22 -9.319 1.413 9.772 1.00 0.00 C ATOM 301 C GLN A 22 -8.382 0.231 9.989 1.00 0.00 C ATOM 302 O GLN A 22 -7.200 0.408 10.280 1.00 0.00 O ATOM 303 CB GLN A 22 -10.247 1.574 10.977 1.00 0.00 C ATOM 304 CG GLN A 22 -11.210 0.414 11.164 1.00 0.00 C ATOM 305 CD GLN A 22 -12.459 0.808 11.924 1.00 0.00 C ATOM 306 OE1 GLN A 22 -12.502 0.736 13.153 1.00 0.00 O ATOM 307 NE2 GLN A 22 -13.487 1.231 11.196 1.00 0.00 N ATOM 0 H GLN A 22 -11.099 1.421 8.661 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.716 2.314 9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.643 1.682 11.878 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.819 2.495 10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.493 0.021 10.187 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.704 -0.391 11.697 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.409 1.275 10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.355 1.512 11.653 1.00 0.00 H new ATOM 316 N GLY A 23 -8.918 -0.978 9.847 1.00 0.00 N ATOM 317 CA GLY A 23 -8.116 -2.172 10.034 1.00 0.00 C ATOM 318 C GLY A 23 -6.915 -2.212 9.111 1.00 0.00 C ATOM 319 O GLY A 23 -5.774 -2.092 9.562 1.00 0.00 O ATOM 0 H GLY A 23 -9.894 -1.151 9.606 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.777 -2.220 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.734 -3.053 9.860 1.00 0.00 H new ATOM 323 N GLN A 24 -7.168 -2.383 7.818 1.00 0.00 N ATOM 324 CA GLN A 24 -6.097 -2.440 6.830 1.00 0.00 C ATOM 325 C GLN A 24 -5.012 -1.415 7.143 1.00 0.00 C ATOM 326 O GLN A 24 -3.830 -1.750 7.218 1.00 0.00 O ATOM 327 CB GLN A 24 -6.654 -2.198 5.427 1.00 0.00 C ATOM 328 CG GLN A 24 -7.654 -3.252 4.979 1.00 0.00 C ATOM 329 CD GLN A 24 -8.299 -2.918 3.648 1.00 0.00 C ATOM 330 OE1 GLN A 24 -8.435 -1.748 3.288 1.00 0.00 O ATOM 331 NE2 GLN A 24 -8.699 -3.946 2.909 1.00 0.00 N ATOM 0 H GLN A 24 -8.106 -2.485 7.430 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.654 -3.435 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.133 -1.219 5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.827 -2.168 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.150 -4.216 4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.429 -3.357 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.566 -4.899 3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.139 -3.782 2.003 1.00 0.00 H new ATOM 340 N VAL A 25 -5.421 -0.163 7.323 1.00 0.00 N ATOM 341 CA VAL A 25 -4.485 0.912 7.628 1.00 0.00 C ATOM 342 C VAL A 25 -3.688 0.604 8.890 1.00 0.00 C ATOM 343 O VAL A 25 -2.485 0.857 8.956 1.00 0.00 O ATOM 344 CB VAL A 25 -5.214 2.256 7.810 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.225 3.356 8.168 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.991 2.616 6.553 1.00 0.00 C ATOM 0 H VAL A 25 -6.396 0.132 7.263 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.804 0.989 6.781 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.923 2.156 8.632 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.758 4.298 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.718 3.100 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.490 3.458 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.500 3.569 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.303 2.698 5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.727 1.840 6.346 1.00 0.00 H new ATOM 356 N LYS A 26 -4.366 0.055 9.893 1.00 0.00 N ATOM 357 CA LYS A 26 -3.721 -0.291 11.154 1.00 0.00 C ATOM 358 C LYS A 26 -2.591 -1.292 10.932 1.00 0.00 C ATOM 359 O LYS A 26 -1.532 -1.193 11.553 1.00 0.00 O ATOM 360 CB LYS A 26 -4.746 -0.872 12.132 1.00 0.00 C ATOM 361 CG LYS A 26 -4.161 -1.218 13.491 1.00 0.00 C ATOM 362 CD LYS A 26 -3.526 -2.597 13.488 1.00 0.00 C ATOM 363 CE LYS A 26 -3.222 -3.074 14.901 1.00 0.00 C ATOM 364 NZ LYS A 26 -4.461 -3.238 15.711 1.00 0.00 N ATOM 0 H LYS A 26 -5.362 -0.160 9.857 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.298 0.620 11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.555 -0.154 12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.185 -1.769 11.695 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.415 -0.473 13.767 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.946 -1.179 14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.195 -3.306 13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.605 -2.574 12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.689 -4.024 14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.560 -2.360 15.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.491 -4.198 16.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.465 -2.543 16.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.294 -3.087 15.106 1.00 0.00 H new ATOM 378 N ILE A 27 -2.823 -2.251 10.043 1.00 0.00 N ATOM 379 CA ILE A 27 -1.823 -3.267 9.739 1.00 0.00 C ATOM 380 C ILE A 27 -0.598 -2.650 9.073 1.00 0.00 C ATOM 381 O ILE A 27 0.534 -3.065 9.324 1.00 0.00 O ATOM 382 CB ILE A 27 -2.396 -4.361 8.818 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.645 -4.983 9.446 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.346 -5.429 8.549 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.491 -5.763 8.465 1.00 0.00 C ATOM 0 H ILE A 27 -3.694 -2.346 9.521 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.531 -3.717 10.688 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.677 -3.906 7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.342 -5.644 10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.252 -4.192 9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.765 -6.195 7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.481 -4.975 8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.039 -5.883 9.491 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.359 -6.175 8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.824 -5.101 7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.901 -6.576 8.041 1.00 0.00 H new ATOM 397 N LEU A 28 -0.830 -1.654 8.224 1.00 0.00 N ATOM 398 CA LEU A 28 0.255 -0.977 7.523 1.00 0.00 C ATOM 399 C LEU A 28 1.000 -0.031 8.458 1.00 0.00 C ATOM 400 O LEU A 28 2.206 -0.163 8.657 1.00 0.00 O ATOM 401 CB LEU A 28 -0.292 -0.201 6.324 1.00 0.00 C ATOM 402 CG LEU A 28 -1.034 -1.026 5.271 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.608 -0.123 4.191 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.107 -2.068 4.661 1.00 0.00 C ATOM 0 H LEU A 28 -1.760 -1.298 8.005 1.00 0.00 H new ATOM 0 HA LEU A 28 0.954 -1.734 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.967 0.571 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.539 0.309 5.837 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.860 -1.544 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.132 -0.728 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.305 0.584 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.799 0.423 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.651 -2.646 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.740 -1.570 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.255 -2.735 5.443 1.00 0.00 H new ATOM 416 N GLU A 29 0.272 0.923 9.032 1.00 0.00 N ATOM 417 CA GLU A 29 0.865 1.890 9.947 1.00 0.00 C ATOM 418 C GLU A 29 1.887 1.219 10.860 1.00 0.00 C ATOM 419 O GLU A 29 3.034 1.657 10.953 1.00 0.00 O ATOM 420 CB GLU A 29 -0.222 2.562 10.788 1.00 0.00 C ATOM 421 CG GLU A 29 -0.786 3.825 10.157 1.00 0.00 C ATOM 422 CD GLU A 29 -1.789 4.526 11.053 1.00 0.00 C ATOM 423 OE1 GLU A 29 -2.986 4.182 10.988 1.00 0.00 O ATOM 424 OE2 GLU A 29 -1.374 5.422 11.819 1.00 0.00 O ATOM 0 H GLU A 29 -0.729 1.046 8.879 1.00 0.00 H new ATOM 0 HA GLU A 29 1.376 2.648 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.034 1.853 10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.188 2.807 11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.031 4.509 9.928 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.264 3.572 9.211 1.00 0.00 H new ATOM 431 N ASP A 30 1.463 0.154 11.533 1.00 0.00 N ATOM 432 CA ASP A 30 2.340 -0.578 12.439 1.00 0.00 C ATOM 433 C ASP A 30 3.601 -1.040 11.717 1.00 0.00 C ATOM 434 O ASP A 30 4.703 -0.957 12.259 1.00 0.00 O ATOM 435 CB ASP A 30 1.607 -1.781 13.031 1.00 0.00 C ATOM 436 CG ASP A 30 2.289 -2.322 14.272 1.00 0.00 C ATOM 437 OD1 ASP A 30 2.151 -1.697 15.345 1.00 0.00 O ATOM 438 OD2 ASP A 30 2.961 -3.371 14.171 1.00 0.00 O ATOM 0 H ASP A 30 0.517 -0.221 11.468 1.00 0.00 H new ATOM 0 HA ASP A 30 2.630 0.094 13.247 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.585 -1.494 13.278 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.545 -2.570 12.281 1.00 0.00 H new ATOM 443 N SER A 31 3.431 -1.528 10.493 1.00 0.00 N ATOM 444 CA SER A 31 4.556 -2.009 9.698 1.00 0.00 C ATOM 445 C SER A 31 5.481 -0.859 9.313 1.00 0.00 C ATOM 446 O SER A 31 6.698 -1.026 9.233 1.00 0.00 O ATOM 447 CB SER A 31 4.052 -2.716 8.439 1.00 0.00 C ATOM 448 OG SER A 31 4.978 -3.694 7.998 1.00 0.00 O ATOM 0 H SER A 31 2.525 -1.601 10.030 1.00 0.00 H new ATOM 0 HA SER A 31 5.120 -2.718 10.304 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.090 -3.187 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.887 -1.984 7.648 1.00 0.00 H new ATOM 0 HG SER A 31 5.507 -3.333 7.256 1.00 0.00 H new ATOM 454 N PHE A 32 4.894 0.310 9.081 1.00 0.00 N ATOM 455 CA PHE A 32 5.665 1.490 8.704 1.00 0.00 C ATOM 456 C PHE A 32 6.337 2.113 9.924 1.00 0.00 C ATOM 457 O PHE A 32 7.563 2.112 10.039 1.00 0.00 O ATOM 458 CB PHE A 32 4.761 2.520 8.024 1.00 0.00 C ATOM 459 CG PHE A 32 5.517 3.611 7.321 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.369 4.446 8.026 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.377 3.802 5.955 1.00 0.00 C ATOM 462 CE1 PHE A 32 7.065 5.451 7.383 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.072 4.804 5.306 1.00 0.00 C ATOM 464 CZ PHE A 32 6.917 5.629 6.020 1.00 0.00 C ATOM 0 H PHE A 32 3.888 0.466 9.147 1.00 0.00 H new ATOM 0 HA PHE A 32 6.440 1.179 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.121 2.010 7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.106 2.967 8.772 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.490 4.309 9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.717 3.160 5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.724 6.097 7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.954 4.942 4.241 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.462 6.413 5.515 1.00 0.00 H new ATOM 474 N LEU A 33 5.526 2.646 10.830 1.00 0.00 N ATOM 475 CA LEU A 33 6.040 3.273 12.043 1.00 0.00 C ATOM 476 C LEU A 33 7.187 2.459 12.633 1.00 0.00 C ATOM 477 O LEU A 33 8.127 3.014 13.201 1.00 0.00 O ATOM 478 CB LEU A 33 4.922 3.425 13.076 1.00 0.00 C ATOM 479 CG LEU A 33 3.776 4.361 12.693 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.576 4.136 13.600 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.230 5.813 12.756 1.00 0.00 C ATOM 0 H LEU A 33 4.509 2.657 10.748 1.00 0.00 H new ATOM 0 HA LEU A 33 6.418 4.261 11.779 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.506 2.438 13.279 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.361 3.783 14.007 1.00 0.00 H new ATOM 0 HG LEU A 33 3.477 4.138 11.669 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.770 4.811 13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.236 3.105 13.505 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.860 4.330 14.634 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.402 6.466 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.556 6.049 13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.058 5.966 12.064 1.00 0.00 H new ATOM 493 N LYS A 34 7.103 1.141 12.493 1.00 0.00 N ATOM 494 CA LYS A 34 8.134 0.249 13.010 1.00 0.00 C ATOM 495 C LYS A 34 9.288 0.122 12.020 1.00 0.00 C ATOM 496 O LYS A 34 10.451 0.044 12.415 1.00 0.00 O ATOM 497 CB LYS A 34 7.544 -1.133 13.299 1.00 0.00 C ATOM 498 CG LYS A 34 7.336 -1.980 12.055 1.00 0.00 C ATOM 499 CD LYS A 34 6.741 -3.336 12.398 1.00 0.00 C ATOM 500 CE LYS A 34 7.146 -4.393 11.383 1.00 0.00 C ATOM 501 NZ LYS A 34 7.041 -5.769 11.944 1.00 0.00 N ATOM 0 H LYS A 34 6.331 0.666 12.025 1.00 0.00 H new ATOM 0 HA LYS A 34 8.517 0.675 13.937 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.205 -1.665 13.984 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.588 -1.011 13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.676 -1.456 11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.289 -2.118 11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.071 -3.639 13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.654 -3.260 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.512 -4.311 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.170 -4.211 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.326 -6.461 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.665 -5.855 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.059 -5.953 12.231 1.00 0.00 H new ATOM 515 N SER A 35 8.959 0.104 10.732 1.00 0.00 N ATOM 516 CA SER A 35 9.968 -0.014 9.686 1.00 0.00 C ATOM 517 C SER A 35 9.444 0.532 8.362 1.00 0.00 C ATOM 518 O SER A 35 8.622 -0.100 7.699 1.00 0.00 O ATOM 519 CB SER A 35 10.389 -1.475 9.519 1.00 0.00 C ATOM 520 OG SER A 35 11.666 -1.572 8.913 1.00 0.00 O ATOM 0 H SER A 35 8.001 0.170 10.388 1.00 0.00 H new ATOM 0 HA SER A 35 10.836 0.575 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.407 -1.965 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.653 -2.001 8.911 1.00 0.00 H new ATOM 0 HG SER A 35 11.913 -2.516 8.819 1.00 0.00 H new ATOM 526 N SER A 36 9.928 1.710 7.982 1.00 0.00 N ATOM 527 CA SER A 36 9.507 2.344 6.739 1.00 0.00 C ATOM 528 C SER A 36 9.548 1.351 5.581 1.00 0.00 C ATOM 529 O SER A 36 8.613 1.270 4.785 1.00 0.00 O ATOM 530 CB SER A 36 10.400 3.547 6.426 1.00 0.00 C ATOM 531 OG SER A 36 11.735 3.141 6.185 1.00 0.00 O ATOM 0 H SER A 36 10.612 2.245 8.517 1.00 0.00 H new ATOM 0 HA SER A 36 8.480 2.686 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.014 4.074 5.553 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.375 4.249 7.259 1.00 0.00 H new ATOM 0 HG SER A 36 12.285 3.927 5.986 1.00 0.00 H new ATOM 537 N PHE A 37 10.639 0.599 5.495 1.00 0.00 N ATOM 538 CA PHE A 37 10.806 -0.388 4.436 1.00 0.00 C ATOM 539 C PHE A 37 10.607 -1.803 4.972 1.00 0.00 C ATOM 540 O PHE A 37 11.486 -2.380 5.613 1.00 0.00 O ATOM 541 CB PHE A 37 12.194 -0.262 3.803 1.00 0.00 C ATOM 542 CG PHE A 37 12.245 0.710 2.659 1.00 0.00 C ATOM 543 CD1 PHE A 37 11.960 2.051 2.860 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.580 0.284 1.385 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.006 2.948 1.809 1.00 0.00 C ATOM 546 CE2 PHE A 37 12.628 1.176 0.329 1.00 0.00 C ATOM 547 CZ PHE A 37 12.342 2.509 0.542 1.00 0.00 C ATOM 0 H PHE A 37 11.422 0.654 6.147 1.00 0.00 H new ATOM 0 HA PHE A 37 10.049 -0.196 3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.906 0.051 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.514 -1.243 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.699 2.399 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.807 -0.758 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.780 3.990 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.889 0.830 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.381 3.208 -0.280 1.00 0.00 H new ATOM 557 N PRO A 38 9.423 -2.374 4.708 1.00 0.00 N ATOM 558 CA PRO A 38 9.079 -3.728 5.157 1.00 0.00 C ATOM 559 C PRO A 38 9.873 -4.801 4.419 1.00 0.00 C ATOM 560 O PRO A 38 10.224 -4.635 3.250 1.00 0.00 O ATOM 561 CB PRO A 38 7.588 -3.842 4.826 1.00 0.00 C ATOM 562 CG PRO A 38 7.373 -2.880 3.710 1.00 0.00 C ATOM 563 CD PRO A 38 8.328 -1.744 3.951 1.00 0.00 C ATOM 0 HA PRO A 38 9.308 -3.880 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.325 -4.857 4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.971 -3.592 5.689 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.564 -3.352 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.342 -2.526 3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.683 -1.312 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.860 -0.938 4.517 1.00 0.00 H new ATOM 571 N THR A 39 10.152 -5.902 5.109 1.00 0.00 N ATOM 572 CA THR A 39 10.904 -7.002 4.521 1.00 0.00 C ATOM 573 C THR A 39 9.977 -7.994 3.828 1.00 0.00 C ATOM 574 O THR A 39 8.790 -8.074 4.146 1.00 0.00 O ATOM 575 CB THR A 39 11.733 -7.748 5.582 1.00 0.00 C ATOM 576 OG1 THR A 39 12.649 -8.647 4.948 1.00 0.00 O ATOM 577 CG2 THR A 39 10.829 -8.523 6.530 1.00 0.00 C ATOM 0 H THR A 39 9.868 -6.055 6.077 1.00 0.00 H new ATOM 0 HA THR A 39 11.579 -6.564 3.786 1.00 0.00 H new ATOM 0 HB THR A 39 12.290 -7.010 6.158 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.173 -9.116 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.438 -9.042 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.154 -7.832 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.247 -9.251 5.964 1.00 0.00 H new ATOM 585 N GLN A 40 10.525 -8.748 2.881 1.00 0.00 N ATOM 586 CA GLN A 40 9.745 -9.736 2.144 1.00 0.00 C ATOM 587 C GLN A 40 8.835 -10.521 3.082 1.00 0.00 C ATOM 588 O GLN A 40 7.655 -10.720 2.794 1.00 0.00 O ATOM 589 CB GLN A 40 10.673 -10.694 1.394 1.00 0.00 C ATOM 590 CG GLN A 40 11.578 -10.001 0.387 1.00 0.00 C ATOM 591 CD GLN A 40 10.874 -9.703 -0.921 1.00 0.00 C ATOM 592 OE1 GLN A 40 10.248 -10.580 -1.517 1.00 0.00 O ATOM 593 NE2 GLN A 40 10.975 -8.459 -1.377 1.00 0.00 N ATOM 0 H GLN A 40 11.506 -8.694 2.606 1.00 0.00 H new ATOM 0 HA GLN A 40 9.123 -9.206 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.290 -11.229 2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.070 -11.439 0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.948 -9.070 0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.447 -10.629 0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.504 -7.764 -0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.523 -8.199 -2.254 1.00 0.00 H new ATOM 602 N ALA A 41 9.390 -10.965 4.204 1.00 0.00 N ATOM 603 CA ALA A 41 8.628 -11.727 5.185 1.00 0.00 C ATOM 604 C ALA A 41 7.419 -10.937 5.675 1.00 0.00 C ATOM 605 O ALA A 41 6.297 -11.442 5.678 1.00 0.00 O ATOM 606 CB ALA A 41 9.516 -12.116 6.358 1.00 0.00 C ATOM 0 H ALA A 41 10.366 -10.810 4.457 1.00 0.00 H new ATOM 0 HA ALA A 41 8.266 -12.634 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.933 -12.685 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.345 -12.726 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.907 -11.216 6.833 1.00 0.00 H new ATOM 612 N GLU A 42 7.657 -9.696 6.089 1.00 0.00 N ATOM 613 CA GLU A 42 6.587 -8.838 6.583 1.00 0.00 C ATOM 614 C GLU A 42 5.539 -8.599 5.499 1.00 0.00 C ATOM 615 O GLU A 42 4.378 -8.987 5.646 1.00 0.00 O ATOM 616 CB GLU A 42 7.155 -7.501 7.062 1.00 0.00 C ATOM 617 CG GLU A 42 6.195 -6.709 7.934 1.00 0.00 C ATOM 618 CD GLU A 42 5.651 -7.524 9.091 1.00 0.00 C ATOM 619 OE1 GLU A 42 6.367 -8.431 9.566 1.00 0.00 O ATOM 620 OE2 GLU A 42 4.508 -7.257 9.520 1.00 0.00 O ATOM 0 H GLU A 42 8.581 -9.263 6.092 1.00 0.00 H new ATOM 0 HA GLU A 42 6.109 -9.343 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.073 -7.685 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.425 -6.899 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.706 -5.828 8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.365 -6.353 7.324 1.00 0.00 H new ATOM 627 N LEU A 43 5.954 -7.957 4.413 1.00 0.00 N ATOM 628 CA LEU A 43 5.053 -7.664 3.304 1.00 0.00 C ATOM 629 C LEU A 43 4.110 -8.836 3.046 1.00 0.00 C ATOM 630 O LEU A 43 2.889 -8.686 3.103 1.00 0.00 O ATOM 631 CB LEU A 43 5.852 -7.351 2.039 1.00 0.00 C ATOM 632 CG LEU A 43 6.223 -5.882 1.827 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.209 -5.741 0.678 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.977 -5.049 1.568 1.00 0.00 C ATOM 0 H LEU A 43 6.910 -7.629 4.276 1.00 0.00 H new ATOM 0 HA LEU A 43 4.457 -6.792 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.770 -7.938 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.276 -7.688 1.177 1.00 0.00 H new ATOM 0 HG LEU A 43 6.700 -5.513 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.461 -4.689 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.114 -6.305 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.759 -6.127 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.260 -4.007 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.471 -5.418 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.305 -5.124 2.423 1.00 0.00 H new ATOM 646 N ASP A 44 4.685 -9.999 2.764 1.00 0.00 N ATOM 647 CA ASP A 44 3.896 -11.198 2.500 1.00 0.00 C ATOM 648 C ASP A 44 2.717 -11.295 3.463 1.00 0.00 C ATOM 649 O ASP A 44 1.611 -11.666 3.069 1.00 0.00 O ATOM 650 CB ASP A 44 4.771 -12.446 2.617 1.00 0.00 C ATOM 651 CG ASP A 44 4.083 -13.687 2.085 1.00 0.00 C ATOM 652 OD1 ASP A 44 3.303 -14.303 2.841 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.326 -14.045 0.913 1.00 0.00 O ATOM 0 H ASP A 44 5.694 -10.138 2.712 1.00 0.00 H new ATOM 0 HA ASP A 44 3.507 -11.131 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.701 -12.287 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.038 -12.602 3.662 1.00 0.00 H new ATOM 658 N ARG A 45 2.961 -10.959 4.725 1.00 0.00 N ATOM 659 CA ARG A 45 1.920 -11.011 5.744 1.00 0.00 C ATOM 660 C ARG A 45 0.999 -9.799 5.643 1.00 0.00 C ATOM 661 O ARG A 45 -0.197 -9.891 5.923 1.00 0.00 O ATOM 662 CB ARG A 45 2.545 -11.074 7.140 1.00 0.00 C ATOM 663 CG ARG A 45 1.700 -11.829 8.153 1.00 0.00 C ATOM 664 CD ARG A 45 2.441 -12.019 9.466 1.00 0.00 C ATOM 665 NE ARG A 45 3.362 -13.151 9.416 1.00 0.00 N ATOM 666 CZ ARG A 45 4.186 -13.474 10.409 1.00 0.00 C ATOM 667 NH1 ARG A 45 4.201 -12.753 11.522 1.00 0.00 N ATOM 668 NH2 ARG A 45 4.993 -14.519 10.288 1.00 0.00 N ATOM 0 H ARG A 45 3.870 -10.648 5.066 1.00 0.00 H new ATOM 0 HA ARG A 45 1.328 -11.911 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.523 -11.549 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.709 -10.059 7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.773 -11.285 8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.424 -12.802 7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.995 -11.111 9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.721 -12.173 10.270 1.00 0.00 H new ATOM 0 HE ARG A 45 3.374 -13.726 8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.580 -11.949 11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.833 -13.002 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.982 -15.076 9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.625 -14.766 11.050 1.00 0.00 H new ATOM 682 N LEU A 46 1.564 -8.666 5.243 1.00 0.00 N ATOM 683 CA LEU A 46 0.793 -7.435 5.105 1.00 0.00 C ATOM 684 C LEU A 46 -0.262 -7.571 4.012 1.00 0.00 C ATOM 685 O LEU A 46 -1.433 -7.256 4.221 1.00 0.00 O ATOM 686 CB LEU A 46 1.721 -6.261 4.788 1.00 0.00 C ATOM 687 CG LEU A 46 2.891 -6.053 5.751 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.810 -4.953 5.245 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.380 -5.722 7.147 1.00 0.00 C ATOM 0 H LEU A 46 2.552 -8.574 5.009 1.00 0.00 H new ATOM 0 HA LEU A 46 0.287 -7.246 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.123 -6.402 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.126 -5.348 4.768 1.00 0.00 H new ATOM 0 HG LEU A 46 3.462 -6.980 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.636 -4.819 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.203 -5.229 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.251 -4.021 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.226 -5.577 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.786 -4.809 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.762 -6.542 7.512 1.00 0.00 H new ATOM 701 N ARG A 47 0.162 -8.047 2.844 1.00 0.00 N ATOM 702 CA ARG A 47 -0.747 -8.228 1.718 1.00 0.00 C ATOM 703 C ARG A 47 -1.941 -9.088 2.116 1.00 0.00 C ATOM 704 O ARG A 47 -3.087 -8.640 2.066 1.00 0.00 O ATOM 705 CB ARG A 47 -0.012 -8.870 0.541 1.00 0.00 C ATOM 706 CG ARG A 47 1.014 -7.956 -0.109 1.00 0.00 C ATOM 707 CD ARG A 47 1.799 -8.679 -1.192 1.00 0.00 C ATOM 708 NE ARG A 47 2.292 -9.976 -0.736 1.00 0.00 N ATOM 709 CZ ARG A 47 1.592 -11.102 -0.825 1.00 0.00 C ATOM 710 NH1 ARG A 47 0.375 -11.089 -1.352 1.00 0.00 N ATOM 711 NH2 ARG A 47 2.109 -12.243 -0.389 1.00 0.00 N ATOM 0 H ARG A 47 1.128 -8.314 2.654 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.113 -7.246 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.487 -9.775 0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.742 -9.175 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.510 -7.091 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.700 -7.580 0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.165 -8.819 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.640 -8.060 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 47 3.225 -10.020 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.025 -10.214 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.161 -11.954 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.045 -12.257 0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.570 -13.106 -0.458 1.00 0.00 H new ATOM 725 N VAL A 48 -1.667 -10.328 2.511 1.00 0.00 N ATOM 726 CA VAL A 48 -2.719 -11.251 2.918 1.00 0.00 C ATOM 727 C VAL A 48 -3.578 -10.652 4.027 1.00 0.00 C ATOM 728 O VAL A 48 -4.806 -10.675 3.953 1.00 0.00 O ATOM 729 CB VAL A 48 -2.134 -12.590 3.404 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.006 -12.351 4.397 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.223 -13.455 4.020 1.00 0.00 C ATOM 0 H VAL A 48 -0.725 -10.716 2.558 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.339 -11.431 2.040 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.723 -13.120 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.605 -13.308 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.216 -11.773 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.388 -11.800 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.792 -14.397 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.665 -12.933 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.993 -13.655 3.275 1.00 0.00 H new ATOM 741 N GLU A 49 -2.922 -10.117 5.051 1.00 0.00 N ATOM 742 CA GLU A 49 -3.627 -9.511 6.175 1.00 0.00 C ATOM 743 C GLU A 49 -4.584 -8.423 5.697 1.00 0.00 C ATOM 744 O GLU A 49 -5.800 -8.537 5.852 1.00 0.00 O ATOM 745 CB GLU A 49 -2.629 -8.924 7.175 1.00 0.00 C ATOM 746 CG GLU A 49 -1.903 -9.973 7.999 1.00 0.00 C ATOM 747 CD GLU A 49 -0.644 -9.437 8.653 1.00 0.00 C ATOM 748 OE1 GLU A 49 0.067 -8.642 8.001 1.00 0.00 O ATOM 749 OE2 GLU A 49 -0.371 -9.809 9.811 1.00 0.00 O ATOM 0 H GLU A 49 -1.905 -10.091 5.126 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.209 -10.290 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.895 -8.327 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.157 -8.248 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.574 -10.352 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.644 -10.816 7.359 1.00 0.00 H new ATOM 756 N THR A 50 -4.025 -7.368 5.112 1.00 0.00 N ATOM 757 CA THR A 50 -4.826 -6.259 4.611 1.00 0.00 C ATOM 758 C THR A 50 -5.577 -6.651 3.343 1.00 0.00 C ATOM 759 O THR A 50 -6.399 -5.888 2.835 1.00 0.00 O ATOM 760 CB THR A 50 -3.954 -5.025 4.317 1.00 0.00 C ATOM 761 OG1 THR A 50 -3.030 -5.318 3.263 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.193 -4.589 5.559 1.00 0.00 C ATOM 0 H THR A 50 -3.020 -7.259 4.974 1.00 0.00 H new ATOM 0 HA THR A 50 -5.544 -6.010 5.392 1.00 0.00 H new ATOM 0 HB THR A 50 -4.610 -4.211 4.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.248 -5.779 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.584 -3.716 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.900 -4.337 6.349 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.548 -5.401 5.894 1.00 0.00 H new ATOM 770 N LYS A 51 -5.291 -7.846 2.837 1.00 0.00 N ATOM 771 CA LYS A 51 -5.941 -8.341 1.630 1.00 0.00 C ATOM 772 C LYS A 51 -5.623 -7.447 0.436 1.00 0.00 C ATOM 773 O LYS A 51 -6.507 -7.113 -0.355 1.00 0.00 O ATOM 774 CB LYS A 51 -7.455 -8.418 1.835 1.00 0.00 C ATOM 775 CG LYS A 51 -7.866 -9.303 2.999 1.00 0.00 C ATOM 776 CD LYS A 51 -7.734 -10.777 2.653 1.00 0.00 C ATOM 777 CE LYS A 51 -7.909 -11.656 3.882 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.066 -13.091 3.519 1.00 0.00 N ATOM 0 H LYS A 51 -4.613 -8.490 3.245 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.558 -9.341 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.843 -7.413 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.918 -8.793 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.247 -9.075 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.897 -9.085 3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.480 -11.044 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.756 -10.961 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.046 -11.540 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.783 -11.326 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.183 -13.657 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.904 -13.206 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.221 -13.414 3.005 1.00 0.00 H new ATOM 792 N LEU A 52 -4.358 -7.064 0.308 1.00 0.00 N ATOM 793 CA LEU A 52 -3.924 -6.209 -0.791 1.00 0.00 C ATOM 794 C LEU A 52 -2.806 -6.873 -1.588 1.00 0.00 C ATOM 795 O LEU A 52 -2.250 -7.888 -1.170 1.00 0.00 O ATOM 796 CB LEU A 52 -3.450 -4.856 -0.255 1.00 0.00 C ATOM 797 CG LEU A 52 -4.440 -4.103 0.632 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.753 -2.937 1.327 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.626 -3.614 -0.186 1.00 0.00 C ATOM 0 H LEU A 52 -3.614 -7.332 0.952 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.775 -6.052 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.532 -5.013 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.196 -4.220 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.809 -4.789 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.473 -2.412 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.938 -3.312 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.355 -2.251 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.320 -3.080 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.275 -2.944 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.134 -4.467 -0.637 1.00 0.00 H new ATOM 811 N SER A 53 -2.480 -6.292 -2.740 1.00 0.00 N ATOM 812 CA SER A 53 -1.430 -6.827 -3.596 1.00 0.00 C ATOM 813 C SER A 53 -0.104 -6.116 -3.341 1.00 0.00 C ATOM 814 O SER A 53 -0.056 -5.100 -2.647 1.00 0.00 O ATOM 815 CB SER A 53 -1.823 -6.687 -5.069 1.00 0.00 C ATOM 816 OG SER A 53 -2.784 -7.662 -5.435 1.00 0.00 O ATOM 0 H SER A 53 -2.929 -5.450 -3.100 1.00 0.00 H new ATOM 0 HA SER A 53 -1.306 -7.884 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.225 -5.690 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.938 -6.791 -5.696 1.00 0.00 H new ATOM 0 HG SER A 53 -3.020 -7.550 -6.380 1.00 0.00 H new ATOM 822 N ARG A 54 0.969 -6.656 -3.908 1.00 0.00 N ATOM 823 CA ARG A 54 2.296 -6.075 -3.742 1.00 0.00 C ATOM 824 C ARG A 54 2.283 -4.589 -4.082 1.00 0.00 C ATOM 825 O ARG A 54 2.784 -3.763 -3.318 1.00 0.00 O ATOM 826 CB ARG A 54 3.309 -6.804 -4.625 1.00 0.00 C ATOM 827 CG ARG A 54 3.978 -7.985 -3.940 1.00 0.00 C ATOM 828 CD ARG A 54 5.058 -7.528 -2.972 1.00 0.00 C ATOM 829 NE ARG A 54 6.364 -7.429 -3.617 1.00 0.00 N ATOM 830 CZ ARG A 54 7.183 -8.462 -3.785 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.830 -9.666 -3.356 1.00 0.00 N ATOM 832 NH2 ARG A 54 8.356 -8.291 -4.380 1.00 0.00 N ATOM 0 H ARG A 54 0.946 -7.496 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 54 2.588 -6.189 -2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.806 -7.155 -5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.076 -6.097 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.229 -8.568 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.415 -8.643 -4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.785 -6.558 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.117 -8.228 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 54 6.665 -6.516 -3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.929 -9.800 -2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.459 -10.458 -3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.631 -7.366 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.983 -9.085 -4.508 1.00 0.00 H new ATOM 846 N ARG A 55 1.710 -4.254 -5.234 1.00 0.00 N ATOM 847 CA ARG A 55 1.634 -2.868 -5.676 1.00 0.00 C ATOM 848 C ARG A 55 0.833 -2.025 -4.688 1.00 0.00 C ATOM 849 O ARG A 55 1.287 -0.970 -4.246 1.00 0.00 O ATOM 850 CB ARG A 55 1.000 -2.786 -7.065 1.00 0.00 C ATOM 851 CG ARG A 55 1.822 -3.461 -8.152 1.00 0.00 C ATOM 852 CD ARG A 55 1.407 -2.992 -9.537 1.00 0.00 C ATOM 853 NE ARG A 55 1.766 -1.597 -9.773 1.00 0.00 N ATOM 854 CZ ARG A 55 1.175 -0.830 -10.684 1.00 0.00 C ATOM 855 NH1 ARG A 55 0.203 -1.322 -11.438 1.00 0.00 N ATOM 856 NH2 ARG A 55 1.556 0.431 -10.839 1.00 0.00 N ATOM 0 H ARG A 55 1.291 -4.925 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 55 2.649 -2.473 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.012 -3.245 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.856 -1.738 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.879 -3.247 -7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.702 -4.542 -8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.882 -3.621 -10.290 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.330 -3.114 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 55 2.511 -1.188 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.093 -2.291 -11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.249 -0.732 -12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.303 0.813 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.102 1.019 -11.538 1.00 0.00 H new ATOM 870 N GLU A 56 -0.363 -2.498 -4.349 1.00 0.00 N ATOM 871 CA GLU A 56 -1.228 -1.786 -3.416 1.00 0.00 C ATOM 872 C GLU A 56 -0.415 -1.179 -2.276 1.00 0.00 C ATOM 873 O GLU A 56 -0.439 0.035 -2.061 1.00 0.00 O ATOM 874 CB GLU A 56 -2.292 -2.730 -2.851 1.00 0.00 C ATOM 875 CG GLU A 56 -3.475 -2.939 -3.781 1.00 0.00 C ATOM 876 CD GLU A 56 -4.468 -1.795 -3.725 1.00 0.00 C ATOM 877 OE1 GLU A 56 -4.880 -1.418 -2.609 1.00 0.00 O ATOM 878 OE2 GLU A 56 -4.834 -1.277 -4.801 1.00 0.00 O ATOM 0 H GLU A 56 -0.754 -3.370 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.720 -0.979 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.833 -3.695 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.652 -2.332 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.114 -3.052 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.981 -3.868 -3.517 1.00 0.00 H new ATOM 885 N ILE A 57 0.302 -2.028 -1.549 1.00 0.00 N ATOM 886 CA ILE A 57 1.122 -1.576 -0.432 1.00 0.00 C ATOM 887 C ILE A 57 2.246 -0.663 -0.911 1.00 0.00 C ATOM 888 O ILE A 57 2.461 0.416 -0.356 1.00 0.00 O ATOM 889 CB ILE A 57 1.731 -2.762 0.336 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.625 -3.669 0.881 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.619 -2.263 1.466 1.00 0.00 C ATOM 892 CD1 ILE A 57 1.130 -5.002 1.387 1.00 0.00 C ATOM 0 H ILE A 57 0.332 -3.034 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 57 0.465 -1.020 0.237 1.00 0.00 H new ATOM 0 HB ILE A 57 2.345 -3.343 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.110 -3.153 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.111 -3.843 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.042 -3.114 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.425 -1.656 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.027 -1.661 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.292 -5.592 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.619 -5.538 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.844 -4.838 2.194 1.00 0.00 H new ATOM 904 N ASP A 58 2.957 -1.101 -1.942 1.00 0.00 N ATOM 905 CA ASP A 58 4.058 -0.322 -2.498 1.00 0.00 C ATOM 906 C ASP A 58 3.644 1.131 -2.709 1.00 0.00 C ATOM 907 O ASP A 58 4.425 2.050 -2.466 1.00 0.00 O ATOM 908 CB ASP A 58 4.524 -0.930 -3.822 1.00 0.00 C ATOM 909 CG ASP A 58 5.617 -1.963 -3.633 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.645 -1.631 -3.005 1.00 0.00 O ATOM 911 OD2 ASP A 58 5.445 -3.103 -4.111 1.00 0.00 O ATOM 0 H ASP A 58 2.792 -1.992 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 58 4.883 -0.346 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.675 -1.392 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.887 -0.136 -4.475 1.00 0.00 H new ATOM 916 N SER A 59 2.411 1.329 -3.164 1.00 0.00 N ATOM 917 CA SER A 59 1.893 2.670 -3.412 1.00 0.00 C ATOM 918 C SER A 59 1.661 3.414 -2.100 1.00 0.00 C ATOM 919 O SER A 59 2.078 4.562 -1.943 1.00 0.00 O ATOM 920 CB SER A 59 0.590 2.597 -4.208 1.00 0.00 C ATOM 921 OG SER A 59 -0.003 3.878 -4.334 1.00 0.00 O ATOM 0 H SER A 59 1.752 0.578 -3.369 1.00 0.00 H new ATOM 0 HA SER A 59 2.635 3.218 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.787 2.185 -5.198 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.105 1.918 -3.713 1.00 0.00 H new ATOM 0 HG SER A 59 -0.834 3.805 -4.848 1.00 0.00 H new ATOM 927 N TRP A 60 0.993 2.752 -1.163 1.00 0.00 N ATOM 928 CA TRP A 60 0.706 3.350 0.136 1.00 0.00 C ATOM 929 C TRP A 60 1.975 3.905 0.774 1.00 0.00 C ATOM 930 O TRP A 60 2.055 5.093 1.087 1.00 0.00 O ATOM 931 CB TRP A 60 0.063 2.318 1.065 1.00 0.00 C ATOM 932 CG TRP A 60 -0.535 2.921 2.300 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.764 3.507 2.414 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.071 3.000 3.595 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.958 3.943 3.703 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.848 3.644 4.446 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.298 2.586 4.117 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.575 3.884 5.790 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.569 2.826 5.452 1.00 0.00 C ATOM 940 CH2 TRP A 60 0.635 3.469 6.275 1.00 0.00 C ATOM 0 H TRP A 60 0.640 1.802 -1.278 1.00 0.00 H new ATOM 0 HA TRP A 60 0.010 4.174 -0.018 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.713 1.782 0.519 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.814 1.583 1.355 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.478 3.612 1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.794 4.413 4.050 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.022 2.087 3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.293 4.380 6.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.516 2.513 5.867 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.875 3.641 7.314 1.00 0.00 H new ATOM 951 N PHE A 61 2.963 3.037 0.965 1.00 0.00 N ATOM 952 CA PHE A 61 4.229 3.442 1.566 1.00 0.00 C ATOM 953 C PHE A 61 4.896 4.540 0.742 1.00 0.00 C ATOM 954 O PHE A 61 5.377 5.534 1.288 1.00 0.00 O ATOM 955 CB PHE A 61 5.167 2.241 1.689 1.00 0.00 C ATOM 956 CG PHE A 61 4.856 1.355 2.862 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.713 0.574 2.873 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.708 1.304 3.953 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.424 -0.243 3.952 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.425 0.490 5.034 1.00 0.00 C ATOM 961 CZ PHE A 61 4.281 -0.282 5.033 1.00 0.00 C ATOM 0 H PHE A 61 2.912 2.050 0.713 1.00 0.00 H new ATOM 0 HA PHE A 61 4.020 3.835 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.111 1.652 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.193 2.599 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.039 0.603 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.604 1.907 3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.530 -0.849 3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.098 0.458 5.878 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.057 -0.916 5.878 1.00 0.00 H new ATOM 971 N SER A 62 4.922 4.352 -0.573 1.00 0.00 N ATOM 972 CA SER A 62 5.534 5.324 -1.472 1.00 0.00 C ATOM 973 C SER A 62 5.133 6.746 -1.090 1.00 0.00 C ATOM 974 O SER A 62 5.982 7.625 -0.958 1.00 0.00 O ATOM 975 CB SER A 62 5.128 5.038 -2.919 1.00 0.00 C ATOM 976 OG SER A 62 5.851 5.855 -3.823 1.00 0.00 O ATOM 0 H SER A 62 4.527 3.536 -1.040 1.00 0.00 H new ATOM 0 HA SER A 62 6.617 5.234 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.308 3.988 -3.150 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.059 5.213 -3.041 1.00 0.00 H new ATOM 0 HG SER A 62 5.574 5.652 -4.741 1.00 0.00 H new ATOM 982 N GLU A 63 3.833 6.960 -0.916 1.00 0.00 N ATOM 983 CA GLU A 63 3.320 8.274 -0.550 1.00 0.00 C ATOM 984 C GLU A 63 3.492 8.530 0.944 1.00 0.00 C ATOM 985 O GLU A 63 3.941 9.601 1.353 1.00 0.00 O ATOM 986 CB GLU A 63 1.841 8.392 -0.932 1.00 0.00 C ATOM 987 CG GLU A 63 1.617 8.894 -2.348 1.00 0.00 C ATOM 988 CD GLU A 63 1.585 7.772 -3.366 1.00 0.00 C ATOM 989 OE1 GLU A 63 2.624 7.100 -3.541 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.523 7.564 -3.988 1.00 0.00 O ATOM 0 H GLU A 63 3.117 6.241 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 63 3.892 9.024 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.367 7.417 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.347 9.067 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.677 9.444 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.409 9.595 -2.610 1.00 0.00 H new ATOM 997 N ARG A 64 3.132 7.539 1.754 1.00 0.00 N ATOM 998 CA ARG A 64 3.246 7.657 3.203 1.00 0.00 C ATOM 999 C ARG A 64 4.614 8.204 3.598 1.00 0.00 C ATOM 1000 O ARG A 64 4.728 9.020 4.511 1.00 0.00 O ATOM 1001 CB ARG A 64 3.016 6.298 3.865 1.00 0.00 C ATOM 1002 CG ARG A 64 2.934 6.366 5.381 1.00 0.00 C ATOM 1003 CD ARG A 64 1.763 7.220 5.838 1.00 0.00 C ATOM 1004 NE ARG A 64 1.424 6.981 7.238 1.00 0.00 N ATOM 1005 CZ ARG A 64 0.320 7.442 7.817 1.00 0.00 C ATOM 1006 NH1 ARG A 64 -0.547 8.163 7.118 1.00 0.00 N ATOM 1007 NH2 ARG A 64 0.082 7.182 9.096 1.00 0.00 N ATOM 0 H ARG A 64 2.759 6.646 1.431 1.00 0.00 H new ATOM 0 HA ARG A 64 2.483 8.355 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.093 5.867 3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.825 5.624 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.831 5.359 5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.862 6.777 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.007 8.273 5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.895 7.008 5.214 1.00 0.00 H new ATOM 0 HE ARG A 64 2.070 6.430 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.367 8.364 6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.394 8.516 7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.747 6.628 9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.766 7.536 9.539 1.00 0.00 H new ATOM 1021 N ARG A 65 5.652 7.747 2.903 1.00 0.00 N ATOM 1022 CA ARG A 65 7.012 8.188 3.182 1.00 0.00 C ATOM 1023 C ARG A 65 7.128 9.704 3.062 1.00 0.00 C ATOM 1024 O ARG A 65 7.644 10.372 3.958 1.00 0.00 O ATOM 1025 CB ARG A 65 7.997 7.512 2.226 1.00 0.00 C ATOM 1026 CG ARG A 65 8.348 6.086 2.619 1.00 0.00 C ATOM 1027 CD ARG A 65 9.472 5.533 1.758 1.00 0.00 C ATOM 1028 NE ARG A 65 8.987 5.060 0.464 1.00 0.00 N ATOM 1029 CZ ARG A 65 8.479 3.848 0.267 1.00 0.00 C ATOM 1030 NH1 ARG A 65 8.386 2.993 1.276 1.00 0.00 N ATOM 1031 NH2 ARG A 65 8.059 3.491 -0.940 1.00 0.00 N ATOM 0 H ARG A 65 5.575 7.071 2.143 1.00 0.00 H new ATOM 0 HA ARG A 65 7.256 7.903 4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.572 7.509 1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.912 8.103 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.644 6.059 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.467 5.452 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.224 6.307 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.962 4.713 2.284 1.00 0.00 H new ATOM 0 HE ARG A 65 9.041 5.695 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.705 3.265 2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.996 2.063 1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.126 4.147 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.669 2.560 -1.090 1.00 0.00 H new ATOM 1045 N LYS A 66 6.645 10.242 1.947 1.00 0.00 N ATOM 1046 CA LYS A 66 6.692 11.679 1.708 1.00 0.00 C ATOM 1047 C LYS A 66 6.253 12.452 2.948 1.00 0.00 C ATOM 1048 O LYS A 66 6.846 13.476 3.297 1.00 0.00 O ATOM 1049 CB LYS A 66 5.801 12.050 0.521 1.00 0.00 C ATOM 1050 CG LYS A 66 6.514 11.990 -0.818 1.00 0.00 C ATOM 1051 CD LYS A 66 6.737 10.557 -1.269 1.00 0.00 C ATOM 1052 CE LYS A 66 8.052 10.004 -0.740 1.00 0.00 C ATOM 1053 NZ LYS A 66 9.205 10.406 -1.590 1.00 0.00 N ATOM 0 H LYS A 66 6.216 9.704 1.194 1.00 0.00 H new ATOM 0 HA LYS A 66 7.723 11.949 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.944 11.377 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.412 13.057 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.927 12.521 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.473 12.502 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.913 9.933 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.734 10.513 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.211 10.358 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.996 8.916 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.082 10.009 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.066 10.047 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.274 11.443 -1.613 1.00 0.00 H new ATOM 1067 N LEU A 67 5.215 11.957 3.612 1.00 0.00 N ATOM 1068 CA LEU A 67 4.697 12.600 4.814 1.00 0.00 C ATOM 1069 C LEU A 67 5.758 12.641 5.909 1.00 0.00 C ATOM 1070 O LEU A 67 6.108 13.710 6.408 1.00 0.00 O ATOM 1071 CB LEU A 67 3.456 11.861 5.318 1.00 0.00 C ATOM 1072 CG LEU A 67 2.357 11.613 4.284 1.00 0.00 C ATOM 1073 CD1 LEU A 67 1.269 10.724 4.866 1.00 0.00 C ATOM 1074 CD2 LEU A 67 1.772 12.930 3.801 1.00 0.00 C ATOM 0 H LEU A 67 4.715 11.111 3.338 1.00 0.00 H new ATOM 0 HA LEU A 67 4.424 13.624 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.770 10.899 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.029 12.430 6.144 1.00 0.00 H new ATOM 0 HG LEU A 67 2.797 11.100 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.495 10.558 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.700 9.767 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.831 11.209 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.992 12.734 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.346 13.471 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.558 13.531 3.344 1.00 0.00 H new ATOM 1086 N ARG A 68 6.268 11.470 6.276 1.00 0.00 N ATOM 1087 CA ARG A 68 7.292 11.373 7.311 1.00 0.00 C ATOM 1088 C ARG A 68 8.396 12.399 7.082 1.00 0.00 C ATOM 1089 O ARG A 68 8.727 13.180 7.973 1.00 0.00 O ATOM 1090 CB ARG A 68 7.887 9.964 7.339 1.00 0.00 C ATOM 1091 CG ARG A 68 8.591 9.627 8.641 1.00 0.00 C ATOM 1092 CD ARG A 68 7.634 9.011 9.650 1.00 0.00 C ATOM 1093 NE ARG A 68 8.222 8.932 10.986 1.00 0.00 N ATOM 1094 CZ ARG A 68 9.194 8.088 11.311 1.00 0.00 C ATOM 1095 NH1 ARG A 68 9.686 7.256 10.402 1.00 0.00 N ATOM 1096 NH2 ARG A 68 9.679 8.074 12.546 1.00 0.00 N ATOM 0 H ARG A 68 5.990 10.575 5.873 1.00 0.00 H new ATOM 0 HA ARG A 68 6.822 11.580 8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.091 9.239 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.594 9.861 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.409 8.934 8.444 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.032 10.531 9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.720 9.603 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.352 8.012 9.319 1.00 0.00 H new ATOM 0 HE ARG A 68 7.866 9.559 11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.317 7.264 9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.433 6.609 10.654 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.305 8.713 13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.426 7.425 12.793 1.00 0.00 H new ATOM 1110 N ASP A 69 8.966 12.390 5.881 1.00 0.00 N ATOM 1111 CA ASP A 69 10.033 13.320 5.534 1.00 0.00 C ATOM 1112 C ASP A 69 9.552 14.763 5.636 1.00 0.00 C ATOM 1113 O ASP A 69 10.222 15.611 6.227 1.00 0.00 O ATOM 1114 CB ASP A 69 10.543 13.040 4.120 1.00 0.00 C ATOM 1115 CG ASP A 69 11.961 13.529 3.906 1.00 0.00 C ATOM 1116 OD1 ASP A 69 12.782 13.389 4.837 1.00 0.00 O ATOM 1117 OD2 ASP A 69 12.251 14.053 2.811 1.00 0.00 O ATOM 0 H ASP A 69 8.706 11.748 5.132 1.00 0.00 H new ATOM 0 HA ASP A 69 10.849 13.177 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.499 11.968 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.884 13.521 3.398 1.00 0.00 H new ATOM 1122 N SER A 70 8.387 15.036 5.058 1.00 0.00 N ATOM 1123 CA SER A 70 7.817 16.378 5.081 1.00 0.00 C ATOM 1124 C SER A 70 7.475 16.800 6.507 1.00 0.00 C ATOM 1125 O SER A 70 7.436 15.973 7.418 1.00 0.00 O ATOM 1126 CB SER A 70 6.564 16.439 4.204 1.00 0.00 C ATOM 1127 OG SER A 70 6.339 17.755 3.729 1.00 0.00 O ATOM 0 H SER A 70 7.819 14.345 4.568 1.00 0.00 H new ATOM 0 HA SER A 70 8.562 17.068 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.673 15.758 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.699 16.102 4.776 1.00 0.00 H new ATOM 0 HG SER A 70 5.654 18.189 4.280 1.00 0.00 H new ATOM 1133 N MET A 71 7.229 18.092 6.692 1.00 0.00 N ATOM 1134 CA MET A 71 6.888 18.624 8.008 1.00 0.00 C ATOM 1135 C MET A 71 8.023 18.388 8.999 1.00 0.00 C ATOM 1136 O MET A 71 7.787 18.022 10.150 1.00 0.00 O ATOM 1137 CB MET A 71 5.601 17.981 8.524 1.00 0.00 C ATOM 1138 CG MET A 71 4.341 18.548 7.891 1.00 0.00 C ATOM 1139 SD MET A 71 4.108 17.993 6.191 1.00 0.00 S ATOM 1140 CE MET A 71 2.964 19.229 5.584 1.00 0.00 C ATOM 0 H MET A 71 7.259 18.790 5.949 1.00 0.00 H new ATOM 0 HA MET A 71 6.733 19.698 7.910 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.640 16.908 8.337 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.546 18.114 9.604 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.476 18.255 8.487 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.387 19.637 7.911 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.723 19.021 4.541 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.051 19.204 6.179 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.420 20.216 5.661 1.00 0.00 H new ATOM 1150 N GLU A 72 9.254 18.598 8.545 1.00 0.00 N ATOM 1151 CA GLU A 72 10.424 18.406 9.394 1.00 0.00 C ATOM 1152 C GLU A 72 10.510 19.498 10.456 1.00 0.00 C ATOM 1153 O GLU A 72 9.778 20.485 10.407 1.00 0.00 O ATOM 1154 CB GLU A 72 11.700 18.401 8.548 1.00 0.00 C ATOM 1155 CG GLU A 72 12.069 19.766 7.993 1.00 0.00 C ATOM 1156 CD GLU A 72 11.086 20.255 6.948 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.495 19.410 6.246 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.910 21.487 6.831 1.00 0.00 O ATOM 0 H GLU A 72 9.467 18.901 7.595 1.00 0.00 H new ATOM 0 HA GLU A 72 10.324 17.443 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.526 18.030 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.574 17.704 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.114 20.486 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.066 19.719 7.555 1.00 0.00 H new ATOM 1165 N GLN A 73 11.410 19.310 11.418 1.00 0.00 N ATOM 1166 CA GLN A 73 11.591 20.277 12.492 1.00 0.00 C ATOM 1167 C GLN A 73 12.413 21.471 12.018 1.00 0.00 C ATOM 1168 O GLN A 73 13.594 21.338 11.701 1.00 0.00 O ATOM 1169 CB GLN A 73 12.274 19.618 13.692 1.00 0.00 C ATOM 1170 CG GLN A 73 12.242 20.466 14.953 1.00 0.00 C ATOM 1171 CD GLN A 73 12.493 19.653 16.208 1.00 0.00 C ATOM 1172 OE1 GLN A 73 12.725 18.445 16.144 1.00 0.00 O ATOM 1173 NE2 GLN A 73 12.448 20.314 17.360 1.00 0.00 N ATOM 0 H GLN A 73 12.024 18.497 11.474 1.00 0.00 H new ATOM 0 HA GLN A 73 10.606 20.634 12.794 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.791 18.662 13.895 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.311 19.402 13.436 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.993 21.252 14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.273 20.958 15.031 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.252 21.315 17.366 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.609 19.820 18.238 1.00 0.00 H new ATOM 1182 N ALA A 74 11.778 22.639 11.970 1.00 0.00 N ATOM 1183 CA ALA A 74 12.452 23.857 11.536 1.00 0.00 C ATOM 1184 C ALA A 74 13.168 24.532 12.701 1.00 0.00 C ATOM 1185 O ALA A 74 14.341 24.890 12.596 1.00 0.00 O ATOM 1186 CB ALA A 74 11.453 24.814 10.902 1.00 0.00 C ATOM 0 H ALA A 74 10.799 22.767 12.226 1.00 0.00 H new ATOM 0 HA ALA A 74 13.201 23.585 10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.969 25.719 10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.989 24.337 10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.684 25.072 11.630 1.00 0.00 H new ATOM 1192 N VAL A 75 12.457 24.704 13.808 1.00 0.00 N ATOM 1193 CA VAL A 75 13.025 25.337 14.993 1.00 0.00 C ATOM 1194 C VAL A 75 13.936 24.374 15.745 1.00 0.00 C ATOM 1195 O VAL A 75 13.654 23.179 15.838 1.00 0.00 O ATOM 1196 CB VAL A 75 11.923 25.837 15.946 1.00 0.00 C ATOM 1197 CG1 VAL A 75 11.076 24.674 16.439 1.00 0.00 C ATOM 1198 CG2 VAL A 75 12.535 26.594 17.116 1.00 0.00 C ATOM 0 H VAL A 75 11.485 24.414 13.911 1.00 0.00 H new ATOM 0 HA VAL A 75 13.609 26.190 14.648 1.00 0.00 H new ATOM 0 HB VAL A 75 11.275 26.521 15.398 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.303 25.046 17.111 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.609 24.178 15.588 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.708 23.964 16.972 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.743 26.940 17.780 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.206 25.934 17.666 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.095 27.451 16.742 1.00 0.00 H new ATOM 1208 N LEU A 76 15.031 24.903 16.284 1.00 0.00 N ATOM 1209 CA LEU A 76 15.984 24.090 17.030 1.00 0.00 C ATOM 1210 C LEU A 76 16.351 24.759 18.352 1.00 0.00 C ATOM 1211 O LEU A 76 16.924 25.848 18.371 1.00 0.00 O ATOM 1212 CB LEU A 76 17.246 23.856 16.198 1.00 0.00 C ATOM 1213 CG LEU A 76 18.063 22.614 16.553 1.00 0.00 C ATOM 1214 CD1 LEU A 76 18.554 22.693 17.990 1.00 0.00 C ATOM 1215 CD2 LEU A 76 17.238 21.353 16.338 1.00 0.00 C ATOM 0 H LEU A 76 15.279 25.890 16.218 1.00 0.00 H new ATOM 0 HA LEU A 76 15.515 23.130 17.246 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.958 23.789 15.149 1.00 0.00 H new ATOM 0 HB3 LEU A 76 17.890 24.730 16.297 1.00 0.00 H new ATOM 0 HG LEU A 76 18.931 22.572 15.895 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.134 21.801 18.226 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.181 23.576 18.112 1.00 0.00 H new ATOM 0 HD13 LEU A 76 17.699 22.759 18.663 1.00 0.00 H new ATOM 0 HD21 LEU A 76 17.836 20.479 16.596 1.00 0.00 H new ATOM 0 HD22 LEU A 76 16.351 21.386 16.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 16.935 21.290 15.293 1.00 0.00 H new ATOM 1227 N ASP A 77 16.018 24.098 19.455 1.00 0.00 N ATOM 1228 CA ASP A 77 16.314 24.625 20.782 1.00 0.00 C ATOM 1229 C ASP A 77 17.797 24.963 20.913 1.00 0.00 C ATOM 1230 O ASP A 77 18.659 24.181 20.513 1.00 0.00 O ATOM 1231 CB ASP A 77 15.911 23.616 21.858 1.00 0.00 C ATOM 1232 CG ASP A 77 14.407 23.467 21.976 1.00 0.00 C ATOM 1233 OD1 ASP A 77 13.809 22.787 21.117 1.00 0.00 O ATOM 1234 OD2 ASP A 77 13.828 24.030 22.929 1.00 0.00 O ATOM 0 H ASP A 77 15.543 23.196 19.456 1.00 0.00 H new ATOM 0 HA ASP A 77 15.737 25.539 20.920 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.352 22.647 21.627 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.319 23.931 22.819 1.00 0.00 H new ATOM 1239 N SER A 78 18.084 26.133 21.475 1.00 0.00 N ATOM 1240 CA SER A 78 19.461 26.576 21.655 1.00 0.00 C ATOM 1241 C SER A 78 19.996 26.147 23.018 1.00 0.00 C ATOM 1242 O SER A 78 21.051 25.518 23.112 1.00 0.00 O ATOM 1243 CB SER A 78 19.552 28.096 21.515 1.00 0.00 C ATOM 1244 OG SER A 78 20.881 28.549 21.712 1.00 0.00 O ATOM 0 H SER A 78 17.381 26.791 21.813 1.00 0.00 H new ATOM 0 HA SER A 78 20.071 26.109 20.881 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.206 28.394 20.525 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.891 28.571 22.240 1.00 0.00 H new ATOM 0 HG SER A 78 20.912 29.524 21.616 1.00 0.00 H new ATOM 1250 N MET A 79 19.263 26.493 24.070 1.00 0.00 N ATOM 1251 CA MET A 79 19.662 26.144 25.428 1.00 0.00 C ATOM 1252 C MET A 79 20.998 26.789 25.786 1.00 0.00 C ATOM 1253 O MET A 79 21.860 26.158 26.396 1.00 0.00 O ATOM 1254 CB MET A 79 19.761 24.625 25.579 1.00 0.00 C ATOM 1255 CG MET A 79 18.419 23.949 25.813 1.00 0.00 C ATOM 1256 SD MET A 79 17.800 24.195 27.488 1.00 0.00 S ATOM 1257 CE MET A 79 16.347 23.146 27.468 1.00 0.00 C ATOM 0 H MET A 79 18.389 27.015 24.008 1.00 0.00 H new ATOM 0 HA MET A 79 18.901 26.522 26.111 1.00 0.00 H new ATOM 0 HB2 MET A 79 20.217 24.208 24.681 1.00 0.00 H new ATOM 0 HB3 MET A 79 20.425 24.393 26.411 1.00 0.00 H new ATOM 0 HG2 MET A 79 17.692 24.338 25.100 1.00 0.00 H new ATOM 0 HG3 MET A 79 18.516 22.881 25.619 1.00 0.00 H new ATOM 0 HE1 MET A 79 15.852 23.191 28.438 1.00 0.00 H new ATOM 0 HE2 MET A 79 15.661 23.490 26.694 1.00 0.00 H new ATOM 0 HE3 MET A 79 16.643 22.118 27.259 1.00 0.00 H new ATOM 1267 N GLY A 80 21.163 28.050 25.399 1.00 0.00 N ATOM 1268 CA GLY A 80 22.397 28.759 25.688 1.00 0.00 C ATOM 1269 C GLY A 80 22.226 29.800 26.775 1.00 0.00 C ATOM 1270 O GLY A 80 21.376 29.657 27.654 1.00 0.00 O ATOM 0 H GLY A 80 20.465 28.593 24.891 1.00 0.00 H new ATOM 0 HA2 GLY A 80 23.161 28.043 25.992 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.756 29.242 24.779 1.00 0.00 H new ATOM 1274 N SER A 81 23.040 30.851 26.720 1.00 0.00 N ATOM 1275 CA SER A 81 22.978 31.918 27.712 1.00 0.00 C ATOM 1276 C SER A 81 21.616 32.603 27.689 1.00 0.00 C ATOM 1277 O SER A 81 21.049 32.847 26.625 1.00 0.00 O ATOM 1278 CB SER A 81 24.084 32.944 27.455 1.00 0.00 C ATOM 1279 OG SER A 81 23.780 33.750 26.330 1.00 0.00 O ATOM 0 H SER A 81 23.749 30.986 25.999 1.00 0.00 H new ATOM 0 HA SER A 81 23.124 31.475 28.697 1.00 0.00 H new ATOM 0 HB2 SER A 81 24.211 33.575 28.335 1.00 0.00 H new ATOM 0 HB3 SER A 81 25.031 32.430 27.293 1.00 0.00 H new ATOM 0 HG SER A 81 24.501 34.398 26.188 1.00 0.00 H new ATOM 1285 N GLY A 82 21.096 32.913 28.874 1.00 0.00 N ATOM 1286 CA GLY A 82 19.805 33.566 28.968 1.00 0.00 C ATOM 1287 C GLY A 82 18.681 32.593 29.266 1.00 0.00 C ATOM 1288 O GLY A 82 18.924 31.415 29.531 1.00 0.00 O ATOM 0 H GLY A 82 21.547 32.723 29.769 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.841 34.324 29.750 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.594 34.083 28.032 1.00 0.00 H new ATOM 1292 N LYS A 83 17.448 33.084 29.223 1.00 0.00 N ATOM 1293 CA LYS A 83 16.281 32.251 29.489 1.00 0.00 C ATOM 1294 C LYS A 83 15.605 31.829 28.188 1.00 0.00 C ATOM 1295 O LYS A 83 15.688 32.529 27.179 1.00 0.00 O ATOM 1296 CB LYS A 83 15.284 33.000 30.375 1.00 0.00 C ATOM 1297 CG LYS A 83 14.300 32.090 31.088 1.00 0.00 C ATOM 1298 CD LYS A 83 13.416 32.868 32.049 1.00 0.00 C ATOM 1299 CE LYS A 83 14.179 33.281 33.299 1.00 0.00 C ATOM 1300 NZ LYS A 83 14.520 32.110 34.153 1.00 0.00 N ATOM 0 H LYS A 83 17.230 34.057 29.006 1.00 0.00 H new ATOM 0 HA LYS A 83 16.618 31.355 30.010 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.834 33.579 31.117 1.00 0.00 H new ATOM 0 HB3 LYS A 83 14.730 33.711 29.763 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.678 31.578 30.353 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.845 31.321 31.635 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.027 33.755 31.550 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.558 32.258 32.330 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.094 33.799 33.011 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.580 33.987 33.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.789 32.439 35.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.695 31.481 34.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.315 31.591 33.729 1.00 0.00 H new ATOM 1314 N SER A 84 14.935 30.681 28.220 1.00 0.00 N ATOM 1315 CA SER A 84 14.246 30.166 27.043 1.00 0.00 C ATOM 1316 C SER A 84 13.015 29.358 27.445 1.00 0.00 C ATOM 1317 O SER A 84 13.008 28.689 28.477 1.00 0.00 O ATOM 1318 CB SER A 84 15.192 29.298 26.212 1.00 0.00 C ATOM 1319 OG SER A 84 14.675 29.082 24.909 1.00 0.00 O ATOM 0 H SER A 84 14.855 30.091 29.048 1.00 0.00 H new ATOM 0 HA SER A 84 13.921 31.015 26.441 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.167 29.780 26.144 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.343 28.340 26.710 1.00 0.00 H new ATOM 0 HG SER A 84 15.299 28.526 24.397 1.00 0.00 H new ATOM 1325 N GLY A 85 11.976 29.423 26.617 1.00 0.00 N ATOM 1326 CA GLY A 85 10.756 28.692 26.902 1.00 0.00 C ATOM 1327 C GLY A 85 10.356 27.766 25.772 1.00 0.00 C ATOM 1328 O GLY A 85 9.651 28.156 24.839 1.00 0.00 O ATOM 0 H GLY A 85 11.958 29.968 25.755 1.00 0.00 H new ATOM 0 HA2 GLY A 85 10.890 28.110 27.814 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.948 29.399 27.091 1.00 0.00 H new ATOM 1332 N PRO A 86 10.814 26.508 25.843 1.00 0.00 N ATOM 1333 CA PRO A 86 10.514 25.497 24.824 1.00 0.00 C ATOM 1334 C PRO A 86 9.049 25.070 24.844 1.00 0.00 C ATOM 1335 O PRO A 86 8.449 24.926 25.909 1.00 0.00 O ATOM 1336 CB PRO A 86 11.417 24.323 25.211 1.00 0.00 C ATOM 1337 CG PRO A 86 11.650 24.491 26.673 1.00 0.00 C ATOM 1338 CD PRO A 86 11.657 25.973 26.924 1.00 0.00 C ATOM 0 HA PRO A 86 10.688 25.872 23.815 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.940 23.368 24.993 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.355 24.345 24.656 1.00 0.00 H new ATOM 0 HG2 PRO A 86 10.867 24.001 27.252 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.596 24.040 26.972 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.252 26.216 27.906 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.667 26.382 26.886 1.00 0.00 H new ATOM 1346 N SER A 87 8.481 24.870 23.660 1.00 0.00 N ATOM 1347 CA SER A 87 7.084 24.463 23.542 1.00 0.00 C ATOM 1348 C SER A 87 6.977 22.969 23.249 1.00 0.00 C ATOM 1349 O SER A 87 7.452 22.491 22.218 1.00 0.00 O ATOM 1350 CB SER A 87 6.389 25.261 22.438 1.00 0.00 C ATOM 1351 OG SER A 87 5.927 26.509 22.926 1.00 0.00 O ATOM 0 H SER A 87 8.965 24.983 22.769 1.00 0.00 H new ATOM 0 HA SER A 87 6.591 24.666 24.492 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.081 25.423 21.612 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.550 24.688 22.043 1.00 0.00 H new ATOM 0 HG SER A 87 5.488 27.001 22.201 1.00 0.00 H new ATOM 1357 N SER A 88 6.350 22.237 24.163 1.00 0.00 N ATOM 1358 CA SER A 88 6.184 20.797 24.007 1.00 0.00 C ATOM 1359 C SER A 88 4.966 20.481 23.142 1.00 0.00 C ATOM 1360 O SER A 88 5.069 19.781 22.136 1.00 0.00 O ATOM 1361 CB SER A 88 6.039 20.126 25.375 1.00 0.00 C ATOM 1362 OG SER A 88 7.307 19.825 25.932 1.00 0.00 O ATOM 0 H SER A 88 5.948 22.617 25.020 1.00 0.00 H new ATOM 0 HA SER A 88 7.073 20.406 23.511 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.489 20.782 26.049 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.456 19.211 25.275 1.00 0.00 H new ATOM 0 HG SER A 88 7.187 19.399 26.806 1.00 0.00 H new ATOM 1368 N GLY A 89 3.811 21.006 23.544 1.00 0.00 N ATOM 1369 CA GLY A 89 2.590 20.770 22.796 1.00 0.00 C ATOM 1370 C GLY A 89 1.353 20.844 23.669 1.00 0.00 C ATOM 1371 O GLY A 89 1.400 20.512 24.853 1.00 0.00 O ATOM 0 H GLY A 89 3.700 21.590 24.373 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.510 21.505 21.995 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.640 19.789 22.324 1.00 0.00 H new TER 1375 GLY A 89