USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 48 SER OG : rot -158:sc= -2.65! USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 51 ASN :FLIP amide:sc= -2.62! C(o=-7.4!,f=-5.3!) USER MOD Set 2.1: A 29 THR OG1 : rot 81:sc= 0.381 USER MOD Set 2.2: A 32 CYS SG : rot 180:sc= -1.28 USER MOD Set 2.3: A 34 MET CE :methyl -98:sc= -0.077 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.207) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= -0.0569 (180deg=-0.538) USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.00727) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.00731 K(o=-0.0073,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.0402 (180deg=-0.402) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0457) USER MOD Single : A 61 SER OG : rot 83:sc= 0.831 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -70:sc= 0.428 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.47) USER MOD Single : A 78 THR OG1 : rot 9:sc= 0.478! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -3.4! C(o=-6.3!,f=-3.4!) USER MOD Single : A 86 GLN : amide:sc= -0.0552 K(o=-0.055,f=-1.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -140:sc= -0.18 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 90.036 5.810 -9.874 1.00 0.00 N ATOM 87 CA VAL A 6 89.803 4.958 -8.667 1.00 0.00 C ATOM 88 C VAL A 6 88.780 3.872 -9.007 1.00 0.00 C ATOM 89 O VAL A 6 87.820 4.113 -9.711 1.00 0.00 O ATOM 90 CB VAL A 6 89.264 5.831 -7.533 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.256 5.032 -6.230 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.162 7.058 -7.370 1.00 0.00 C ATOM 0 HA VAL A 6 90.738 4.492 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 6 88.248 6.148 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.872 5.656 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.620 4.155 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.271 4.715 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.781 7.683 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.177 6.737 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.169 7.629 -8.298 1.00 0.00 H new ATOM 102 N SER A 7 88.976 2.674 -8.521 1.00 0.00 N ATOM 103 CA SER A 7 88.011 1.579 -8.830 1.00 0.00 C ATOM 104 C SER A 7 86.833 1.630 -7.857 1.00 0.00 C ATOM 105 O SER A 7 86.969 1.358 -6.683 1.00 0.00 O ATOM 106 CB SER A 7 88.712 0.230 -8.703 1.00 0.00 C ATOM 107 OG SER A 7 90.014 0.321 -9.266 1.00 0.00 O ATOM 0 H SER A 7 89.760 2.408 -7.925 1.00 0.00 H new ATOM 0 HA SER A 7 87.642 1.707 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.776 -0.062 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.136 -0.541 -9.214 1.00 0.00 H new ATOM 0 HG SER A 7 90.467 -0.544 -9.184 1.00 0.00 H new ATOM 113 N PHE A 8 85.679 1.966 -8.350 1.00 0.00 N ATOM 114 CA PHE A 8 84.461 2.037 -7.484 1.00 0.00 C ATOM 115 C PHE A 8 83.775 0.660 -7.471 1.00 0.00 C ATOM 116 O PHE A 8 83.764 -0.045 -8.460 1.00 0.00 O ATOM 117 CB PHE A 8 83.499 3.107 -8.049 1.00 0.00 C ATOM 118 CG PHE A 8 83.758 3.316 -9.526 1.00 0.00 C ATOM 119 CD1 PHE A 8 83.133 2.494 -10.471 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.622 4.335 -9.947 1.00 0.00 C ATOM 121 CE1 PHE A 8 83.372 2.690 -11.837 1.00 0.00 C ATOM 122 CE2 PHE A 8 84.859 4.531 -11.313 1.00 0.00 C ATOM 123 CZ PHE A 8 84.235 3.709 -12.257 1.00 0.00 C ATOM 0 H PHE A 8 85.519 2.199 -9.330 1.00 0.00 H new ATOM 0 HA PHE A 8 84.738 2.309 -6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.466 2.796 -7.894 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.633 4.046 -7.512 1.00 0.00 H new ATOM 0 HD1 PHE A 8 82.466 1.709 -10.147 1.00 0.00 H new ATOM 0 HD2 PHE A 8 85.105 4.969 -9.218 1.00 0.00 H new ATOM 0 HE1 PHE A 8 82.891 2.055 -12.566 1.00 0.00 H new ATOM 0 HE2 PHE A 8 85.524 5.317 -11.638 1.00 0.00 H new ATOM 0 HZ PHE A 8 84.419 3.861 -13.310 1.00 0.00 H new ATOM 133 N PHE A 9 83.199 0.280 -6.354 1.00 0.00 N ATOM 134 CA PHE A 9 82.499 -1.046 -6.256 1.00 0.00 C ATOM 135 C PHE A 9 81.081 -0.811 -5.728 1.00 0.00 C ATOM 136 O PHE A 9 80.878 -0.081 -4.780 1.00 0.00 O ATOM 137 CB PHE A 9 83.267 -1.961 -5.285 1.00 0.00 C ATOM 138 CG PHE A 9 84.405 -2.648 -6.010 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.554 -1.925 -6.352 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.311 -4.007 -6.336 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.608 -2.560 -7.020 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.365 -4.642 -7.004 1.00 0.00 C ATOM 143 CZ PHE A 9 86.514 -3.918 -7.346 1.00 0.00 C ATOM 0 H PHE A 9 83.183 0.835 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 9 82.457 -1.521 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.656 -1.376 -4.452 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.592 -2.705 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.627 -0.877 -6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.425 -4.565 -6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.494 -2.002 -7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.292 -5.690 -7.255 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.327 -4.407 -7.861 1.00 0.00 H new ATOM 153 N LEU A 10 80.098 -1.419 -6.334 1.00 0.00 N ATOM 154 CA LEU A 10 78.699 -1.216 -5.865 1.00 0.00 C ATOM 155 C LEU A 10 78.443 -2.037 -4.607 1.00 0.00 C ATOM 156 O LEU A 10 78.297 -3.242 -4.653 1.00 0.00 O ATOM 157 CB LEU A 10 77.719 -1.656 -6.959 1.00 0.00 C ATOM 158 CG LEU A 10 76.266 -1.301 -6.557 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.947 0.138 -6.961 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.291 -2.244 -7.271 1.00 0.00 C ATOM 0 H LEU A 10 80.203 -2.046 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 10 78.554 -0.159 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.972 -1.168 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.806 -2.730 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 10 76.164 -1.407 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.923 0.378 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.634 0.818 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 10 76.056 0.246 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.269 -1.993 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.405 -2.137 -8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.505 -3.274 -6.984 1.00 0.00 H new ATOM 172 N VAL A 11 78.342 -1.372 -3.489 1.00 0.00 N ATOM 173 CA VAL A 11 78.040 -2.063 -2.203 1.00 0.00 C ATOM 174 C VAL A 11 76.748 -1.450 -1.674 1.00 0.00 C ATOM 175 O VAL A 11 76.454 -0.305 -1.952 1.00 0.00 O ATOM 176 CB VAL A 11 79.182 -1.844 -1.205 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.511 -2.266 -1.842 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.254 -0.365 -0.816 1.00 0.00 C ATOM 0 H VAL A 11 78.458 -0.362 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 11 77.933 -3.138 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 11 78.997 -2.444 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.322 -2.109 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.466 -3.321 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.692 -1.669 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.068 -0.215 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.434 0.237 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.312 -0.063 -0.358 1.00 0.00 H new ATOM 188 N LYS A 12 75.962 -2.190 -0.936 1.00 0.00 N ATOM 189 CA LYS A 12 74.672 -1.629 -0.418 1.00 0.00 C ATOM 190 C LYS A 12 74.796 -1.378 1.082 1.00 0.00 C ATOM 191 O LYS A 12 75.384 -2.154 1.810 1.00 0.00 O ATOM 192 CB LYS A 12 73.523 -2.628 -0.710 1.00 0.00 C ATOM 193 CG LYS A 12 72.649 -2.109 -1.865 1.00 0.00 C ATOM 194 CD LYS A 12 71.722 -3.220 -2.357 1.00 0.00 C ATOM 195 CE LYS A 12 71.031 -2.770 -3.644 1.00 0.00 C ATOM 196 NZ LYS A 12 70.124 -1.625 -3.348 1.00 0.00 N ATOM 0 H LYS A 12 76.154 -3.155 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 12 74.450 -0.684 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.936 -3.604 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.914 -2.765 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.061 -1.254 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.281 -1.762 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.292 -4.132 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.979 -3.453 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 12 71.775 -2.476 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.463 -3.596 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 69.519 -1.439 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 69.529 -1.857 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.691 -0.779 -3.137 1.00 0.00 H new ATOM 210 N GLU A 13 74.232 -0.293 1.540 1.00 0.00 N ATOM 211 CA GLU A 13 74.284 0.047 2.993 1.00 0.00 C ATOM 212 C GLU A 13 72.877 -0.068 3.564 1.00 0.00 C ATOM 213 O GLU A 13 71.903 -0.053 2.836 1.00 0.00 O ATOM 214 CB GLU A 13 74.785 1.479 3.172 1.00 0.00 C ATOM 215 CG GLU A 13 76.238 1.577 2.696 1.00 0.00 C ATOM 216 CD GLU A 13 76.872 2.865 3.227 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.232 3.538 4.019 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.989 3.158 2.832 1.00 0.00 O ATOM 0 H GLU A 13 73.731 0.382 0.962 1.00 0.00 H new ATOM 0 HA GLU A 13 74.961 -0.634 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.159 2.168 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.714 1.772 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.803 0.712 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.275 1.565 1.607 1.00 0.00 H new ATOM 225 N LYS A 14 72.759 -0.190 4.858 1.00 0.00 N ATOM 226 CA LYS A 14 71.412 -0.317 5.487 1.00 0.00 C ATOM 227 C LYS A 14 71.026 1.001 6.151 1.00 0.00 C ATOM 228 O LYS A 14 71.694 1.491 7.041 1.00 0.00 O ATOM 229 CB LYS A 14 71.442 -1.440 6.534 1.00 0.00 C ATOM 230 CG LYS A 14 70.012 -1.919 6.839 1.00 0.00 C ATOM 231 CD LYS A 14 69.535 -2.907 5.763 1.00 0.00 C ATOM 232 CE LYS A 14 68.240 -3.572 6.232 1.00 0.00 C ATOM 233 NZ LYS A 14 68.538 -4.501 7.358 1.00 0.00 N ATOM 0 H LYS A 14 73.542 -0.207 5.511 1.00 0.00 H new ATOM 0 HA LYS A 14 70.675 -0.557 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.042 -2.273 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.917 -1.083 7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 14 69.983 -2.397 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 14 69.337 -1.064 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.370 -2.385 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 14 70.300 -3.661 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.525 -2.814 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.780 -4.118 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.807 -5.239 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 69.468 -4.942 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.548 -3.970 8.252 1.00 0.00 H new ATOM 351 N LEU A 21 67.626 -0.918 1.437 1.00 0.00 N ATOM 352 CA LEU A 21 69.120 -0.858 1.374 1.00 0.00 C ATOM 353 C LEU A 21 69.501 0.375 0.564 1.00 0.00 C ATOM 354 O LEU A 21 68.715 0.867 -0.222 1.00 0.00 O ATOM 355 CB LEU A 21 69.695 -2.101 0.669 1.00 0.00 C ATOM 356 CG LEU A 21 69.347 -3.386 1.457 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.307 -4.597 0.512 1.00 0.00 C ATOM 358 CD2 LEU A 21 70.403 -3.634 2.549 1.00 0.00 C ATOM 0 HA LEU A 21 69.521 -0.818 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.295 -2.169 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.777 -2.006 0.578 1.00 0.00 H new ATOM 0 HG LEU A 21 68.367 -3.255 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 21 69.061 -5.494 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.550 -4.435 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.281 -4.722 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.151 -4.540 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.383 -3.751 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.423 -2.787 3.235 1.00 0.00 H new ATOM 370 N VAL A 22 70.694 0.882 0.744 1.00 0.00 N ATOM 371 CA VAL A 22 71.126 2.099 -0.026 1.00 0.00 C ATOM 372 C VAL A 22 72.401 1.759 -0.844 1.00 0.00 C ATOM 373 O VAL A 22 73.435 1.515 -0.255 1.00 0.00 O ATOM 374 CB VAL A 22 71.417 3.236 0.996 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.582 4.134 0.536 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.165 4.109 1.154 1.00 0.00 C ATOM 0 H VAL A 22 71.391 0.510 1.389 1.00 0.00 H new ATOM 0 HA VAL A 22 70.348 2.420 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 22 71.691 2.769 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.754 4.915 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.484 3.532 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.333 4.591 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.365 4.907 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.901 4.544 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.338 3.497 1.515 1.00 0.00 H new ATOM 386 N PRO A 23 72.327 1.776 -2.172 1.00 0.00 N ATOM 387 CA PRO A 23 73.520 1.501 -2.994 1.00 0.00 C ATOM 388 C PRO A 23 74.632 2.496 -2.648 1.00 0.00 C ATOM 389 O PRO A 23 74.380 3.617 -2.253 1.00 0.00 O ATOM 390 CB PRO A 23 73.046 1.688 -4.452 1.00 0.00 C ATOM 391 CG PRO A 23 71.500 1.739 -4.420 1.00 0.00 C ATOM 392 CD PRO A 23 71.093 2.024 -2.960 1.00 0.00 C ATOM 0 HA PRO A 23 73.926 0.504 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.454 2.606 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.392 0.866 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 23 71.125 2.517 -5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 23 71.075 0.796 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.745 3.050 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.281 1.371 -2.640 1.00 0.00 H new ATOM 400 N ARG A 24 75.857 2.089 -2.799 1.00 0.00 N ATOM 401 CA ARG A 24 76.995 2.996 -2.488 1.00 0.00 C ATOM 402 C ARG A 24 78.195 2.566 -3.329 1.00 0.00 C ATOM 403 O ARG A 24 78.386 1.394 -3.587 1.00 0.00 O ATOM 404 CB ARG A 24 77.329 2.895 -0.989 1.00 0.00 C ATOM 405 CG ARG A 24 78.094 4.147 -0.521 1.00 0.00 C ATOM 406 CD ARG A 24 77.106 5.252 -0.128 1.00 0.00 C ATOM 407 NE ARG A 24 76.483 4.922 1.183 1.00 0.00 N ATOM 408 CZ ARG A 24 75.856 5.847 1.856 1.00 0.00 C ATOM 409 NH1 ARG A 24 75.781 7.060 1.381 1.00 0.00 N ATOM 410 NH2 ARG A 24 75.306 5.562 3.004 1.00 0.00 N ATOM 0 H ARG A 24 76.123 1.160 -3.127 1.00 0.00 H new ATOM 0 HA ARG A 24 76.738 4.030 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.410 2.786 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.929 2.004 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.730 3.898 0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.750 4.501 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.622 6.210 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.336 5.354 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 24 76.546 3.974 1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 24 76.212 7.284 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 24 75.291 7.784 1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.366 4.615 3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.816 6.287 3.529 1.00 0.00 H new ATOM 424 N LEU A 25 79.010 3.495 -3.755 1.00 0.00 N ATOM 425 CA LEU A 25 80.206 3.134 -4.573 1.00 0.00 C ATOM 426 C LEU A 25 81.441 3.244 -3.675 1.00 0.00 C ATOM 427 O LEU A 25 81.590 4.193 -2.931 1.00 0.00 O ATOM 428 CB LEU A 25 80.312 4.099 -5.755 1.00 0.00 C ATOM 429 CG LEU A 25 79.093 3.946 -6.678 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.057 5.123 -7.657 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.170 2.627 -7.464 1.00 0.00 C ATOM 0 H LEU A 25 78.898 4.492 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 25 80.125 2.119 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.375 5.125 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.227 3.902 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 25 78.188 3.935 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.195 5.022 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.981 6.057 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.970 5.129 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.298 2.538 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.075 2.618 -8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.192 1.789 -6.767 1.00 0.00 H new ATOM 443 N LEU A 26 82.310 2.262 -3.716 1.00 0.00 N ATOM 444 CA LEU A 26 83.529 2.275 -2.841 1.00 0.00 C ATOM 445 C LEU A 26 84.794 2.366 -3.698 1.00 0.00 C ATOM 446 O LEU A 26 85.184 1.426 -4.362 1.00 0.00 O ATOM 447 CB LEU A 26 83.553 0.978 -2.022 1.00 0.00 C ATOM 448 CG LEU A 26 84.707 1.004 -1.006 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.452 2.071 0.076 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.820 -0.377 -0.353 1.00 0.00 C ATOM 0 H LEU A 26 82.228 1.446 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 26 83.497 3.140 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.604 0.853 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.666 0.122 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 26 85.635 1.253 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.279 2.074 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.372 3.052 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.524 1.842 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.635 -0.372 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.886 -0.617 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.019 -1.126 -1.119 1.00 0.00 H new ATOM 462 N GLY A 27 85.434 3.499 -3.669 1.00 0.00 N ATOM 463 CA GLY A 27 86.680 3.705 -4.457 1.00 0.00 C ATOM 464 C GLY A 27 87.880 3.100 -3.731 1.00 0.00 C ATOM 465 O GLY A 27 88.201 3.478 -2.623 1.00 0.00 O ATOM 0 H GLY A 27 85.140 4.308 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.575 3.248 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.844 4.771 -4.617 1.00 0.00 H new ATOM 469 N ILE A 28 88.560 2.175 -4.360 1.00 0.00 N ATOM 470 CA ILE A 28 89.764 1.551 -3.730 1.00 0.00 C ATOM 471 C ILE A 28 91.008 2.147 -4.393 1.00 0.00 C ATOM 472 O ILE A 28 91.277 1.906 -5.553 1.00 0.00 O ATOM 473 CB ILE A 28 89.748 0.026 -3.948 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.608 -0.618 -3.125 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.090 -0.561 -3.498 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.263 -0.523 -3.863 1.00 0.00 C ATOM 0 H ILE A 28 88.331 1.823 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 28 89.767 1.748 -2.658 1.00 0.00 H new ATOM 0 HB ILE A 28 89.585 -0.182 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 28 88.844 -1.664 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.530 -0.122 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.084 -1.640 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.896 -0.116 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 91.246 -0.344 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.483 -0.985 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 28 87.016 0.524 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.335 -1.041 -4.819 1.00 0.00 H new ATOM 488 N THR A 29 91.766 2.930 -3.669 1.00 0.00 N ATOM 489 CA THR A 29 92.991 3.550 -4.260 1.00 0.00 C ATOM 490 C THR A 29 94.212 2.697 -3.910 1.00 0.00 C ATOM 491 O THR A 29 94.137 1.785 -3.109 1.00 0.00 O ATOM 492 CB THR A 29 93.164 4.969 -3.689 1.00 0.00 C ATOM 493 OG1 THR A 29 91.886 5.574 -3.542 1.00 0.00 O ATOM 494 CG2 THR A 29 94.023 5.816 -4.632 1.00 0.00 C ATOM 0 H THR A 29 91.590 3.167 -2.693 1.00 0.00 H new ATOM 0 HA THR A 29 92.892 3.605 -5.344 1.00 0.00 H new ATOM 0 HB THR A 29 93.658 4.907 -2.720 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.468 5.259 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.139 6.818 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.004 5.354 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.539 5.880 -5.606 1.00 0.00 H new ATOM 502 N LYS A 30 95.335 2.987 -4.503 1.00 0.00 N ATOM 503 CA LYS A 30 96.561 2.199 -4.207 1.00 0.00 C ATOM 504 C LYS A 30 97.095 2.596 -2.831 1.00 0.00 C ATOM 505 O LYS A 30 98.002 1.980 -2.306 1.00 0.00 O ATOM 506 CB LYS A 30 97.619 2.492 -5.277 1.00 0.00 C ATOM 507 CG LYS A 30 97.529 3.964 -5.679 1.00 0.00 C ATOM 508 CD LYS A 30 98.789 4.371 -6.443 1.00 0.00 C ATOM 509 CE LYS A 30 98.728 5.866 -6.771 1.00 0.00 C ATOM 510 NZ LYS A 30 99.129 6.653 -5.571 1.00 0.00 N ATOM 0 H LYS A 30 95.456 3.738 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 30 96.327 1.134 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.614 2.267 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.461 1.854 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.648 4.128 -6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.414 4.586 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.675 4.155 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 30 98.874 3.790 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 30 99.390 6.093 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.719 6.141 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.564 7.525 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 98.965 6.087 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.138 6.897 -5.637 1.00 0.00 H new ATOM 524 N GLU A 31 96.545 3.630 -2.249 1.00 0.00 N ATOM 525 CA GLU A 31 97.021 4.087 -0.908 1.00 0.00 C ATOM 526 C GLU A 31 95.836 4.496 -0.028 1.00 0.00 C ATOM 527 O GLU A 31 96.016 5.015 1.055 1.00 0.00 O ATOM 528 CB GLU A 31 97.941 5.290 -1.097 1.00 0.00 C ATOM 529 CG GLU A 31 99.154 4.881 -1.927 1.00 0.00 C ATOM 530 CD GLU A 31 100.269 5.917 -1.763 1.00 0.00 C ATOM 531 OE1 GLU A 31 99.950 7.091 -1.673 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.421 5.518 -1.730 1.00 0.00 O ATOM 0 H GLU A 31 95.783 4.180 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 31 97.554 3.270 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.403 6.097 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.263 5.671 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.508 3.900 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.875 4.797 -2.977 1.00 0.00 H new ATOM 539 N CYS A 32 94.627 4.278 -0.469 1.00 0.00 N ATOM 540 CA CYS A 32 93.465 4.676 0.379 1.00 0.00 C ATOM 541 C CYS A 32 92.152 4.160 -0.221 1.00 0.00 C ATOM 542 O CYS A 32 92.072 3.810 -1.381 1.00 0.00 O ATOM 543 CB CYS A 32 93.418 6.215 0.473 1.00 0.00 C ATOM 544 SG CYS A 32 94.145 6.936 -1.019 1.00 0.00 S ATOM 0 H CYS A 32 94.394 3.849 -1.365 1.00 0.00 H new ATOM 0 HA CYS A 32 93.585 4.241 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.387 6.551 0.587 1.00 0.00 H new ATOM 0 HB3 CYS A 32 93.963 6.552 1.355 1.00 0.00 H new ATOM 0 HG CYS A 32 94.103 8.233 -0.939 1.00 0.00 H new ATOM 550 N VAL A 33 91.113 4.148 0.578 1.00 0.00 N ATOM 551 CA VAL A 33 89.768 3.702 0.101 1.00 0.00 C ATOM 552 C VAL A 33 88.855 4.926 0.127 1.00 0.00 C ATOM 553 O VAL A 33 88.821 5.649 1.104 1.00 0.00 O ATOM 554 CB VAL A 33 89.218 2.627 1.042 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.762 2.327 0.679 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.052 1.352 0.905 1.00 0.00 C ATOM 0 H VAL A 33 91.142 4.433 1.557 1.00 0.00 H new ATOM 0 HA VAL A 33 89.829 3.282 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 33 89.269 2.985 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.370 1.562 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.168 3.235 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 33 87.710 1.970 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.660 0.587 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.003 0.994 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.089 1.566 1.165 1.00 0.00 H new ATOM 566 N MET A 34 88.136 5.194 -0.937 1.00 0.00 N ATOM 567 CA MET A 34 87.258 6.408 -0.960 1.00 0.00 C ATOM 568 C MET A 34 85.794 6.037 -0.772 1.00 0.00 C ATOM 569 O MET A 34 85.311 5.069 -1.322 1.00 0.00 O ATOM 570 CB MET A 34 87.425 7.124 -2.304 1.00 0.00 C ATOM 571 CG MET A 34 88.892 7.068 -2.737 1.00 0.00 C ATOM 572 SD MET A 34 89.194 8.342 -3.989 1.00 0.00 S ATOM 573 CE MET A 34 90.869 8.793 -3.472 1.00 0.00 C ATOM 0 H MET A 34 88.119 4.629 -1.786 1.00 0.00 H new ATOM 0 HA MET A 34 87.555 7.060 -0.139 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.794 6.654 -3.059 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.100 8.161 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.543 7.225 -1.877 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.127 6.083 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 34 90.829 9.686 -2.848 1.00 0.00 H new ATOM 0 HE2 MET A 34 91.308 7.973 -2.904 1.00 0.00 H new ATOM 0 HE3 MET A 34 91.480 8.993 -4.352 1.00 0.00 H new ATOM 583 N ARG A 35 85.063 6.838 -0.034 1.00 0.00 N ATOM 584 CA ARG A 35 83.610 6.553 0.134 1.00 0.00 C ATOM 585 C ARG A 35 82.902 7.347 -0.949 1.00 0.00 C ATOM 586 O ARG A 35 83.127 8.532 -1.091 1.00 0.00 O ATOM 587 CB ARG A 35 83.108 7.039 1.500 1.00 0.00 C ATOM 588 CG ARG A 35 83.586 6.105 2.628 1.00 0.00 C ATOM 589 CD ARG A 35 82.630 6.198 3.840 1.00 0.00 C ATOM 590 NE ARG A 35 81.885 7.490 3.818 1.00 0.00 N ATOM 591 CZ ARG A 35 80.812 7.630 4.549 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.393 6.639 5.287 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.159 8.759 4.543 1.00 0.00 N ATOM 0 H ARG A 35 85.407 7.666 0.452 1.00 0.00 H new ATOM 0 HA ARG A 35 83.421 5.482 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.467 8.051 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.019 7.083 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.627 5.078 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.597 6.377 2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.927 5.365 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.198 6.114 4.766 1.00 0.00 H new ATOM 0 HE ARG A 35 82.212 8.260 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.903 5.756 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.555 6.747 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.486 9.534 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.321 8.867 5.115 1.00 0.00 H new ATOM 607 N VAL A 36 82.078 6.713 -1.740 1.00 0.00 N ATOM 608 CA VAL A 36 81.394 7.450 -2.839 1.00 0.00 C ATOM 609 C VAL A 36 79.923 7.052 -2.910 1.00 0.00 C ATOM 610 O VAL A 36 79.583 5.891 -3.017 1.00 0.00 O ATOM 611 CB VAL A 36 82.089 7.113 -4.158 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.387 7.832 -5.313 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.547 7.566 -4.090 1.00 0.00 C ATOM 0 H VAL A 36 81.850 5.721 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 36 81.449 8.522 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 36 82.044 6.037 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 36 81.887 7.588 -6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.346 7.512 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.428 8.909 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.046 7.327 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.586 8.642 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.050 7.052 -3.271 1.00 0.00 H new ATOM 623 N ASP A 37 79.050 8.019 -2.866 1.00 0.00 N ATOM 624 CA ASP A 37 77.598 7.719 -2.944 1.00 0.00 C ATOM 625 C ASP A 37 77.273 7.224 -4.346 1.00 0.00 C ATOM 626 O ASP A 37 77.885 7.621 -5.309 1.00 0.00 O ATOM 627 CB ASP A 37 76.792 8.986 -2.644 1.00 0.00 C ATOM 628 CG ASP A 37 75.339 8.609 -2.351 1.00 0.00 C ATOM 629 OD1 ASP A 37 74.879 7.625 -2.906 1.00 0.00 O ATOM 630 OD2 ASP A 37 74.710 9.311 -1.576 1.00 0.00 O ATOM 0 H ASP A 37 79.283 9.008 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 37 77.339 6.953 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.222 9.510 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.838 9.668 -3.493 1.00 0.00 H new ATOM 635 N GLU A 38 76.312 6.364 -4.469 1.00 0.00 N ATOM 636 CA GLU A 38 75.937 5.845 -5.809 1.00 0.00 C ATOM 637 C GLU A 38 74.892 6.781 -6.383 1.00 0.00 C ATOM 638 O GLU A 38 74.655 6.849 -7.572 1.00 0.00 O ATOM 639 CB GLU A 38 75.351 4.450 -5.625 1.00 0.00 C ATOM 640 CG GLU A 38 75.316 3.694 -6.950 1.00 0.00 C ATOM 641 CD GLU A 38 74.225 4.279 -7.847 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.101 4.391 -7.384 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.530 4.608 -8.982 1.00 0.00 O ATOM 0 H GLU A 38 75.763 5.993 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 38 76.794 5.791 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.946 3.894 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.343 4.526 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.284 3.764 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.125 2.636 -6.771 1.00 0.00 H new ATOM 650 N LYS A 39 74.275 7.504 -5.510 1.00 0.00 N ATOM 651 CA LYS A 39 73.231 8.467 -5.907 1.00 0.00 C ATOM 652 C LYS A 39 73.886 9.710 -6.503 1.00 0.00 C ATOM 653 O LYS A 39 73.547 10.149 -7.584 1.00 0.00 O ATOM 654 CB LYS A 39 72.452 8.854 -4.655 1.00 0.00 C ATOM 655 CG LYS A 39 71.276 9.762 -5.027 1.00 0.00 C ATOM 656 CD LYS A 39 70.636 10.325 -3.754 1.00 0.00 C ATOM 657 CE LYS A 39 69.928 9.208 -2.979 1.00 0.00 C ATOM 658 NZ LYS A 39 68.958 9.811 -2.022 1.00 0.00 N ATOM 0 H LYS A 39 74.456 7.467 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 39 72.566 8.026 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.086 7.958 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.109 9.366 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.620 10.577 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.537 9.201 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 71.400 10.785 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.922 11.107 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.409 8.543 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.658 8.603 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.476 9.056 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.465 10.429 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 68.255 10.370 -2.546 1.00 0.00 H new ATOM 672 N THR A 40 74.808 10.292 -5.786 1.00 0.00 N ATOM 673 CA THR A 40 75.486 11.531 -6.276 1.00 0.00 C ATOM 674 C THR A 40 76.881 11.211 -6.819 1.00 0.00 C ATOM 675 O THR A 40 77.576 12.089 -7.288 1.00 0.00 O ATOM 676 CB THR A 40 75.619 12.518 -5.114 1.00 0.00 C ATOM 677 OG1 THR A 40 76.216 11.863 -4.004 1.00 0.00 O ATOM 678 CG2 THR A 40 74.233 13.030 -4.723 1.00 0.00 C ATOM 0 H THR A 40 75.125 9.961 -4.874 1.00 0.00 H new ATOM 0 HA THR A 40 74.889 11.962 -7.079 1.00 0.00 H new ATOM 0 HB THR A 40 76.244 13.358 -5.417 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.303 12.495 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.325 13.733 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 40 73.776 13.531 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 40 73.608 12.191 -4.418 1.00 0.00 H new ATOM 686 N LYS A 41 77.312 9.975 -6.768 1.00 0.00 N ATOM 687 CA LYS A 41 78.673 9.664 -7.296 1.00 0.00 C ATOM 688 C LYS A 41 79.685 10.648 -6.702 1.00 0.00 C ATOM 689 O LYS A 41 80.771 10.822 -7.217 1.00 0.00 O ATOM 690 CB LYS A 41 78.666 9.798 -8.821 1.00 0.00 C ATOM 691 CG LYS A 41 77.725 8.750 -9.422 1.00 0.00 C ATOM 692 CD LYS A 41 77.387 9.136 -10.864 1.00 0.00 C ATOM 693 CE LYS A 41 78.663 9.136 -11.711 1.00 0.00 C ATOM 694 NZ LYS A 41 78.300 9.103 -13.156 1.00 0.00 N ATOM 0 H LYS A 41 76.791 9.183 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 41 78.950 8.647 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.343 10.799 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.674 9.664 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 41 78.195 7.767 -9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.813 8.682 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 41 76.664 8.434 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.923 10.122 -10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 41 79.256 10.024 -11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 41 79.279 8.272 -11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 79.166 9.103 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 77.751 8.243 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 77.729 9.940 -13.390 1.00 0.00 H new ATOM 708 N GLU A 42 79.336 11.295 -5.617 1.00 0.00 N ATOM 709 CA GLU A 42 80.278 12.272 -4.983 1.00 0.00 C ATOM 710 C GLU A 42 81.098 11.545 -3.913 1.00 0.00 C ATOM 711 O GLU A 42 80.736 10.483 -3.468 1.00 0.00 O ATOM 712 CB GLU A 42 79.464 13.421 -4.343 1.00 0.00 C ATOM 713 CG GLU A 42 79.933 14.779 -4.876 1.00 0.00 C ATOM 714 CD GLU A 42 79.477 14.945 -6.327 1.00 0.00 C ATOM 715 OE1 GLU A 42 78.930 13.998 -6.866 1.00 0.00 O ATOM 716 OE2 GLU A 42 79.681 16.017 -6.873 1.00 0.00 O ATOM 0 H GLU A 42 78.439 11.189 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 42 80.951 12.689 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.404 13.286 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 42 79.575 13.392 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 42 79.526 15.582 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.019 14.850 -4.815 1.00 0.00 H new ATOM 723 N VAL A 43 82.192 12.122 -3.495 1.00 0.00 N ATOM 724 CA VAL A 43 83.040 11.473 -2.446 1.00 0.00 C ATOM 725 C VAL A 43 82.581 11.939 -1.066 1.00 0.00 C ATOM 726 O VAL A 43 82.527 13.120 -0.786 1.00 0.00 O ATOM 727 CB VAL A 43 84.505 11.870 -2.664 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.353 11.393 -1.479 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.024 11.230 -3.959 1.00 0.00 C ATOM 0 H VAL A 43 82.539 13.019 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 43 82.944 10.389 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 43 84.576 12.955 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.393 11.677 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.987 11.854 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.282 10.309 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.065 11.513 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 43 84.950 10.145 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.426 11.577 -4.801 1.00 0.00 H new ATOM 739 N ILE A 44 82.240 11.016 -0.200 1.00 0.00 N ATOM 740 CA ILE A 44 81.771 11.395 1.166 1.00 0.00 C ATOM 741 C ILE A 44 82.901 11.213 2.185 1.00 0.00 C ATOM 742 O ILE A 44 82.901 11.832 3.230 1.00 0.00 O ATOM 743 CB ILE A 44 80.589 10.510 1.558 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.596 10.429 0.392 1.00 0.00 C ATOM 745 CG2 ILE A 44 79.892 11.104 2.782 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.225 11.836 -0.090 1.00 0.00 C ATOM 0 H ILE A 44 82.267 10.013 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 44 81.466 12.441 1.159 1.00 0.00 H new ATOM 0 HB ILE A 44 80.950 9.509 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.034 9.860 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 44 78.698 9.896 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.048 10.473 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 44 80.597 11.157 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.533 12.106 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.520 11.763 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 44 78.768 12.392 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.124 12.355 -0.424 1.00 0.00 H new ATOM 758 N GLN A 45 83.861 10.370 1.904 1.00 0.00 N ATOM 759 CA GLN A 45 84.968 10.171 2.888 1.00 0.00 C ATOM 760 C GLN A 45 86.100 9.339 2.275 1.00 0.00 C ATOM 761 O GLN A 45 85.953 8.718 1.240 1.00 0.00 O ATOM 762 CB GLN A 45 84.435 9.462 4.139 1.00 0.00 C ATOM 763 CG GLN A 45 85.562 9.317 5.172 1.00 0.00 C ATOM 764 CD GLN A 45 84.966 9.096 6.563 1.00 0.00 C ATOM 765 OE1 GLN A 45 83.808 8.753 6.694 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.716 9.282 7.613 1.00 0.00 N ATOM 0 H GLN A 45 83.927 9.818 1.049 1.00 0.00 H new ATOM 0 HA GLN A 45 85.361 11.151 3.161 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.608 10.030 4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.044 8.480 3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.206 8.479 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.185 10.211 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.688 9.570 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.331 9.140 8.547 1.00 0.00 H new ATOM 775 N GLU A 46 87.233 9.339 2.925 1.00 0.00 N ATOM 776 CA GLU A 46 88.419 8.573 2.434 1.00 0.00 C ATOM 777 C GLU A 46 89.145 7.919 3.613 1.00 0.00 C ATOM 778 O GLU A 46 89.009 8.327 4.750 1.00 0.00 O ATOM 779 CB GLU A 46 89.374 9.526 1.704 1.00 0.00 C ATOM 780 CG GLU A 46 88.855 9.789 0.289 1.00 0.00 C ATOM 781 CD GLU A 46 89.626 10.956 -0.332 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.814 11.061 -0.073 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.016 11.724 -1.057 1.00 0.00 O ATOM 0 H GLU A 46 87.391 9.848 3.794 1.00 0.00 H new ATOM 0 HA GLU A 46 88.085 7.795 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.457 10.465 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.373 9.093 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 46 88.972 8.895 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 46 87.790 10.018 0.318 1.00 0.00 H new ATOM 790 N TRP A 47 89.918 6.897 3.338 1.00 0.00 N ATOM 791 CA TRP A 47 90.668 6.191 4.418 1.00 0.00 C ATOM 792 C TRP A 47 92.064 5.829 3.916 1.00 0.00 C ATOM 793 O TRP A 47 92.281 5.661 2.737 1.00 0.00 O ATOM 794 CB TRP A 47 89.939 4.904 4.796 1.00 0.00 C ATOM 795 CG TRP A 47 88.647 5.211 5.491 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.495 6.054 6.543 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.322 4.675 5.206 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.163 6.068 6.913 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.404 5.234 6.123 1.00 0.00 C ATOM 800 CE3 TRP A 47 86.833 3.765 4.251 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.052 4.903 6.096 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.471 3.429 4.221 1.00 0.00 C ATOM 803 CH2 TRP A 47 84.583 3.996 5.143 1.00 0.00 C ATOM 0 H TRP A 47 90.061 6.520 2.401 1.00 0.00 H new ATOM 0 HA TRP A 47 90.739 6.846 5.286 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.745 4.314 3.900 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.572 4.299 5.445 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.285 6.621 7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 47 86.788 6.628 7.678 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.511 3.322 3.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.370 5.345 6.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.106 2.730 3.483 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.536 3.732 5.117 1.00 0.00 H new ATOM 814 N SER A 48 93.009 5.690 4.804 1.00 0.00 N ATOM 815 CA SER A 48 94.391 5.322 4.377 1.00 0.00 C ATOM 816 C SER A 48 94.500 3.794 4.294 1.00 0.00 C ATOM 817 O SER A 48 93.940 3.079 5.101 1.00 0.00 O ATOM 818 CB SER A 48 95.397 5.865 5.398 1.00 0.00 C ATOM 819 OG SER A 48 94.824 5.800 6.695 1.00 0.00 O ATOM 0 H SER A 48 92.885 5.815 5.809 1.00 0.00 H new ATOM 0 HA SER A 48 94.607 5.752 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 48 96.318 5.283 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 48 95.661 6.894 5.155 1.00 0.00 H new ATOM 0 HG SER A 48 95.278 6.437 7.286 1.00 0.00 H new ATOM 825 N LEU A 49 95.213 3.289 3.323 1.00 0.00 N ATOM 826 CA LEU A 49 95.349 1.812 3.192 1.00 0.00 C ATOM 827 C LEU A 49 96.217 1.281 4.343 1.00 0.00 C ATOM 828 O LEU A 49 96.065 0.158 4.781 1.00 0.00 O ATOM 829 CB LEU A 49 96.006 1.482 1.825 1.00 0.00 C ATOM 830 CG LEU A 49 94.969 0.893 0.851 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.479 1.021 -0.587 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.743 -0.588 1.167 1.00 0.00 C ATOM 0 H LEU A 49 95.706 3.835 2.617 1.00 0.00 H new ATOM 0 HA LEU A 49 94.369 1.338 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.442 2.385 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.821 0.773 1.969 1.00 0.00 H new ATOM 0 HG LEU A 49 94.032 1.440 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.742 0.603 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.640 2.073 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.419 0.478 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.008 -1.000 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.683 -1.130 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.376 -0.690 2.188 1.00 0.00 H new ATOM 844 N THR A 50 97.129 2.077 4.830 1.00 0.00 N ATOM 845 CA THR A 50 98.003 1.611 5.940 1.00 0.00 C ATOM 846 C THR A 50 97.205 1.568 7.244 1.00 0.00 C ATOM 847 O THR A 50 97.693 1.126 8.266 1.00 0.00 O ATOM 848 CB THR A 50 99.188 2.566 6.097 1.00 0.00 C ATOM 849 OG1 THR A 50 98.707 3.890 6.278 1.00 0.00 O ATOM 850 CG2 THR A 50 100.061 2.503 4.844 1.00 0.00 C ATOM 0 H THR A 50 97.306 3.028 4.507 1.00 0.00 H new ATOM 0 HA THR A 50 98.371 0.611 5.710 1.00 0.00 H new ATOM 0 HB THR A 50 99.780 2.275 6.965 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.465 4.502 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.906 3.183 4.955 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.429 1.486 4.708 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.472 2.795 3.975 1.00 0.00 H new ATOM 858 N ASN A 51 95.980 2.022 7.219 1.00 0.00 N ATOM 859 CA ASN A 51 95.147 2.004 8.462 1.00 0.00 C ATOM 860 C ASN A 51 94.334 0.706 8.514 1.00 0.00 C ATOM 861 O ASN A 51 94.078 0.169 9.573 1.00 0.00 O ATOM 862 CB ASN A 51 94.197 3.211 8.464 1.00 0.00 C ATOM 863 CG ASN A 51 94.951 4.463 8.923 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.211 4.601 8.615 1.00 0.00 O flip ATOM 865 ND2 ASN A 51 94.386 5.323 9.569 1.00 0.00 N flip ATOM 0 H ASN A 51 95.519 2.405 6.394 1.00 0.00 H new ATOM 0 HA ASN A 51 95.797 2.058 9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.789 3.366 7.465 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.353 3.020 9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 51 93.401 5.215 9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 51 94.897 6.153 9.870 1.00 0.00 H new ATOM 872 N ILE A 52 93.928 0.193 7.383 1.00 0.00 N ATOM 873 CA ILE A 52 93.135 -1.071 7.385 1.00 0.00 C ATOM 874 C ILE A 52 93.930 -2.167 8.095 1.00 0.00 C ATOM 875 O ILE A 52 94.970 -2.593 7.631 1.00 0.00 O ATOM 876 CB ILE A 52 92.845 -1.505 5.944 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.242 -0.330 5.171 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.852 -2.672 5.947 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.805 -0.790 3.776 1.00 0.00 C ATOM 0 H ILE A 52 94.110 0.592 6.462 1.00 0.00 H new ATOM 0 HA ILE A 52 92.193 -0.904 7.907 1.00 0.00 H new ATOM 0 HB ILE A 52 93.774 -1.820 5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.387 0.073 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.973 0.474 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.648 -2.978 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.278 -3.510 6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.923 -2.358 6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.377 0.052 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.669 -1.172 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.058 -1.578 3.870 1.00 0.00 H new ATOM 891 N LYS A 53 93.449 -2.631 9.218 1.00 0.00 N ATOM 892 CA LYS A 53 94.177 -3.703 9.958 1.00 0.00 C ATOM 893 C LYS A 53 93.771 -5.072 9.405 1.00 0.00 C ATOM 894 O LYS A 53 94.606 -5.899 9.098 1.00 0.00 O ATOM 895 CB LYS A 53 93.820 -3.628 11.447 1.00 0.00 C ATOM 896 CG LYS A 53 94.415 -4.836 12.177 1.00 0.00 C ATOM 897 CD LYS A 53 94.352 -4.615 13.688 1.00 0.00 C ATOM 898 CE LYS A 53 94.652 -5.936 14.400 1.00 0.00 C ATOM 899 NZ LYS A 53 93.489 -6.855 14.250 1.00 0.00 N ATOM 0 H LYS A 53 92.583 -2.314 9.655 1.00 0.00 H new ATOM 0 HA LYS A 53 95.251 -3.565 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 53 94.205 -2.704 11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.737 -3.611 11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.867 -5.739 11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.449 -4.987 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 53 95.073 -3.854 13.987 1.00 0.00 H new ATOM 0 HD3 LYS A 53 93.366 -4.249 13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 53 95.547 -6.393 13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.853 -5.755 15.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.502 -7.559 15.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 92.606 -6.308 14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.546 -7.340 13.332 1.00 0.00 H new ATOM 913 N ARG A 54 92.493 -5.323 9.285 1.00 0.00 N ATOM 914 CA ARG A 54 92.036 -6.646 8.762 1.00 0.00 C ATOM 915 C ARG A 54 90.711 -6.481 8.028 1.00 0.00 C ATOM 916 O ARG A 54 90.136 -5.411 7.984 1.00 0.00 O ATOM 917 CB ARG A 54 91.820 -7.615 9.931 1.00 0.00 C ATOM 918 CG ARG A 54 90.940 -6.949 11.015 1.00 0.00 C ATOM 919 CD ARG A 54 90.097 -8.004 11.747 1.00 0.00 C ATOM 920 NE ARG A 54 89.727 -7.477 13.092 1.00 0.00 N ATOM 921 CZ ARG A 54 88.822 -8.086 13.811 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.250 -9.171 13.364 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.492 -7.609 14.980 1.00 0.00 N ATOM 0 H ARG A 54 91.747 -4.671 9.526 1.00 0.00 H new ATOM 0 HA ARG A 54 92.795 -7.036 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.343 -8.528 9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.781 -7.903 10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.571 -6.420 11.729 1.00 0.00 H new ATOM 0 HG3 ARG A 54 90.286 -6.207 10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.200 -8.235 11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.659 -8.933 11.847 1.00 0.00 H new ATOM 0 HE ARG A 54 90.182 -6.638 13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.509 -9.545 12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.544 -9.644 13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.940 -6.762 15.330 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.786 -8.083 15.543 1.00 0.00 H new ATOM 937 N TRP A 55 90.211 -7.545 7.467 1.00 0.00 N ATOM 938 CA TRP A 55 88.910 -7.469 6.752 1.00 0.00 C ATOM 939 C TRP A 55 88.293 -8.856 6.666 1.00 0.00 C ATOM 940 O TRP A 55 88.912 -9.843 6.980 1.00 0.00 O ATOM 941 CB TRP A 55 89.117 -6.919 5.341 1.00 0.00 C ATOM 942 CG TRP A 55 90.206 -7.686 4.658 1.00 0.00 C ATOM 943 CD1 TRP A 55 90.054 -8.897 4.075 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.603 -7.317 4.477 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.271 -9.295 3.548 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.256 -8.354 3.769 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.360 -6.194 4.853 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.611 -8.279 3.445 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.725 -6.115 4.530 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.348 -7.156 3.826 1.00 0.00 C ATOM 0 H TRP A 55 90.649 -8.466 7.473 1.00 0.00 H new ATOM 0 HA TRP A 55 88.244 -6.804 7.301 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.191 -6.996 4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.377 -5.861 5.386 1.00 0.00 H new ATOM 0 HD1 TRP A 55 89.134 -9.461 4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.421 -10.176 3.056 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.889 -5.386 5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 94.086 -9.084 2.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.298 -5.248 4.825 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.397 -7.089 3.579 1.00 0.00 H new ATOM 961 N ALA A 56 87.070 -8.933 6.238 1.00 0.00 N ATOM 962 CA ALA A 56 86.400 -10.256 6.109 1.00 0.00 C ATOM 963 C ALA A 56 85.413 -10.175 4.942 1.00 0.00 C ATOM 964 O ALA A 56 84.494 -9.380 4.956 1.00 0.00 O ATOM 965 CB ALA A 56 85.663 -10.589 7.410 1.00 0.00 C ATOM 0 H ALA A 56 86.499 -8.132 5.969 1.00 0.00 H new ATOM 0 HA ALA A 56 87.132 -11.041 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.173 -11.558 7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.376 -10.624 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.914 -9.823 7.610 1.00 0.00 H new ATOM 971 N ALA A 57 85.599 -10.976 3.926 1.00 0.00 N ATOM 972 CA ALA A 57 84.676 -10.926 2.750 1.00 0.00 C ATOM 973 C ALA A 57 83.641 -12.042 2.856 1.00 0.00 C ATOM 974 O ALA A 57 83.925 -13.195 2.601 1.00 0.00 O ATOM 975 CB ALA A 57 85.488 -11.107 1.466 1.00 0.00 C ATOM 0 H ALA A 57 86.350 -11.663 3.858 1.00 0.00 H new ATOM 0 HA ALA A 57 84.164 -9.964 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.820 -11.071 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.226 -10.308 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 57 85.997 -12.070 1.490 1.00 0.00 H new ATOM 981 N SER A 58 82.434 -11.703 3.221 1.00 0.00 N ATOM 982 CA SER A 58 81.371 -12.733 3.334 1.00 0.00 C ATOM 983 C SER A 58 80.715 -12.901 1.951 1.00 0.00 C ATOM 984 O SER A 58 80.829 -12.024 1.118 1.00 0.00 O ATOM 985 CB SER A 58 80.335 -12.272 4.374 1.00 0.00 C ATOM 986 OG SER A 58 80.519 -13.015 5.572 1.00 0.00 O ATOM 0 H SER A 58 82.141 -10.752 3.446 1.00 0.00 H new ATOM 0 HA SER A 58 81.785 -13.688 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.448 -11.206 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.325 -12.420 3.991 1.00 0.00 H new ATOM 0 HG SER A 58 79.863 -12.726 6.240 1.00 0.00 H new ATOM 992 N PRO A 59 80.042 -14.009 1.739 1.00 0.00 N ATOM 993 CA PRO A 59 79.372 -14.263 0.450 1.00 0.00 C ATOM 994 C PRO A 59 78.319 -13.178 0.181 1.00 0.00 C ATOM 995 O PRO A 59 77.593 -13.242 -0.792 1.00 0.00 O ATOM 996 CB PRO A 59 78.708 -15.651 0.623 1.00 0.00 C ATOM 997 CG PRO A 59 78.855 -16.043 2.118 1.00 0.00 C ATOM 998 CD PRO A 59 79.891 -15.089 2.739 1.00 0.00 C ATOM 0 HA PRO A 59 80.060 -14.245 -0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.657 -15.614 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.188 -16.390 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 59 77.898 -15.960 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.180 -17.079 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.548 -14.698 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.838 -15.596 2.923 1.00 0.00 H new ATOM 1006 N LYS A 60 78.205 -12.196 1.042 1.00 0.00 N ATOM 1007 CA LYS A 60 77.169 -11.141 0.825 1.00 0.00 C ATOM 1008 C LYS A 60 77.624 -9.785 1.367 1.00 0.00 C ATOM 1009 O LYS A 60 76.990 -8.779 1.121 1.00 0.00 O ATOM 1010 CB LYS A 60 75.906 -11.553 1.565 1.00 0.00 C ATOM 1011 CG LYS A 60 76.209 -11.686 3.059 1.00 0.00 C ATOM 1012 CD LYS A 60 75.105 -12.500 3.732 1.00 0.00 C ATOM 1013 CE LYS A 60 75.238 -12.396 5.253 1.00 0.00 C ATOM 1014 NZ LYS A 60 76.465 -13.117 5.694 1.00 0.00 N ATOM 0 H LYS A 60 78.779 -12.080 1.877 1.00 0.00 H new ATOM 0 HA LYS A 60 76.995 -11.043 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.122 -10.813 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.535 -12.500 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.174 -12.172 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.278 -10.699 3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.128 -12.134 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.170 -13.543 3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 60 75.290 -11.350 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 60 74.359 -12.823 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 76.503 -13.134 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 76.444 -14.092 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 77.306 -12.629 5.325 1.00 0.00 H new ATOM 1028 N SER A 61 78.689 -9.735 2.118 1.00 0.00 N ATOM 1029 CA SER A 61 79.134 -8.415 2.679 1.00 0.00 C ATOM 1030 C SER A 61 80.659 -8.346 2.817 1.00 0.00 C ATOM 1031 O SER A 61 81.352 -9.343 2.798 1.00 0.00 O ATOM 1032 CB SER A 61 78.502 -8.218 4.057 1.00 0.00 C ATOM 1033 OG SER A 61 79.208 -7.201 4.757 1.00 0.00 O ATOM 0 H SER A 61 79.268 -10.536 2.369 1.00 0.00 H new ATOM 0 HA SER A 61 78.817 -7.631 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.453 -7.942 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.532 -9.151 4.620 1.00 0.00 H new ATOM 0 HG SER A 61 78.871 -6.322 4.484 1.00 0.00 H new ATOM 1039 N PHE A 62 81.169 -7.146 2.969 1.00 0.00 N ATOM 1040 CA PHE A 62 82.644 -6.928 3.130 1.00 0.00 C ATOM 1041 C PHE A 62 82.870 -6.129 4.415 1.00 0.00 C ATOM 1042 O PHE A 62 82.101 -5.246 4.734 1.00 0.00 O ATOM 1043 CB PHE A 62 83.183 -6.133 1.936 1.00 0.00 C ATOM 1044 CG PHE A 62 84.671 -5.896 2.103 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.553 -6.984 2.133 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.170 -4.591 2.229 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.928 -6.769 2.287 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.546 -4.379 2.383 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.424 -5.468 2.412 1.00 0.00 C ATOM 0 H PHE A 62 80.613 -6.291 2.989 1.00 0.00 H new ATOM 0 HA PHE A 62 83.162 -7.886 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.994 -6.677 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.661 -5.180 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.172 -7.990 2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.493 -3.750 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.606 -7.609 2.309 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.930 -3.374 2.479 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.485 -5.304 2.531 1.00 0.00 H new ATOM 1059 N THR A 63 83.900 -6.438 5.167 1.00 0.00 N ATOM 1060 CA THR A 63 84.156 -5.698 6.449 1.00 0.00 C ATOM 1061 C THR A 63 85.631 -5.292 6.530 1.00 0.00 C ATOM 1062 O THR A 63 86.500 -5.966 6.019 1.00 0.00 O ATOM 1063 CB THR A 63 83.808 -6.616 7.630 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.399 -6.785 7.692 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.306 -6.004 8.945 1.00 0.00 C ATOM 0 H THR A 63 84.576 -7.171 4.950 1.00 0.00 H new ATOM 0 HA THR A 63 83.540 -4.799 6.483 1.00 0.00 H new ATOM 0 HB THR A 63 84.293 -7.581 7.485 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.173 -7.372 8.444 1.00 0.00 H new ATOM 0 HG21 THR A 63 84.052 -6.666 9.773 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.388 -5.877 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.833 -5.034 9.097 1.00 0.00 H new ATOM 1073 N LEU A 64 85.914 -4.192 7.184 1.00 0.00 N ATOM 1074 CA LEU A 64 87.333 -3.729 7.327 1.00 0.00 C ATOM 1075 C LEU A 64 87.523 -3.119 8.718 1.00 0.00 C ATOM 1076 O LEU A 64 86.583 -2.674 9.346 1.00 0.00 O ATOM 1077 CB LEU A 64 87.668 -2.676 6.254 1.00 0.00 C ATOM 1078 CG LEU A 64 86.456 -1.729 6.024 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.926 -0.270 5.981 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.747 -2.074 4.701 1.00 0.00 C ATOM 0 H LEU A 64 85.220 -3.590 7.628 1.00 0.00 H new ATOM 0 HA LEU A 64 88.000 -4.582 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.537 -2.096 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.933 -3.171 5.320 1.00 0.00 H new ATOM 0 HG LEU A 64 85.757 -1.861 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.069 0.384 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.405 -0.014 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.639 -0.141 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.901 -1.402 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.447 -1.961 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.390 -3.103 4.737 1.00 0.00 H new ATOM 1092 N ASP A 65 88.741 -3.094 9.197 1.00 0.00 N ATOM 1093 CA ASP A 65 89.025 -2.513 10.551 1.00 0.00 C ATOM 1094 C ASP A 65 90.189 -1.527 10.443 1.00 0.00 C ATOM 1095 O ASP A 65 91.211 -1.821 9.855 1.00 0.00 O ATOM 1096 CB ASP A 65 89.409 -3.630 11.525 1.00 0.00 C ATOM 1097 CG ASP A 65 89.463 -3.066 12.947 1.00 0.00 C ATOM 1098 OD1 ASP A 65 88.846 -2.040 13.180 1.00 0.00 O ATOM 1099 OD2 ASP A 65 90.120 -3.670 13.778 1.00 0.00 O ATOM 0 H ASP A 65 89.560 -3.454 8.706 1.00 0.00 H new ATOM 0 HA ASP A 65 88.134 -2.002 10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.683 -4.441 11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 65 90.377 -4.050 11.251 1.00 0.00 H new ATOM 1104 N PHE A 66 90.046 -0.362 11.017 1.00 0.00 N ATOM 1105 CA PHE A 66 91.147 0.647 10.965 1.00 0.00 C ATOM 1106 C PHE A 66 91.931 0.584 12.271 1.00 0.00 C ATOM 1107 O PHE A 66 92.876 1.318 12.479 1.00 0.00 O ATOM 1108 CB PHE A 66 90.550 2.046 10.814 1.00 0.00 C ATOM 1109 CG PHE A 66 89.789 2.134 9.512 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.474 2.027 8.296 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.400 2.325 9.517 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.774 2.106 7.089 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.702 2.405 8.308 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.390 2.295 7.096 1.00 0.00 C ATOM 0 H PHE A 66 89.211 -0.064 11.522 1.00 0.00 H new ATOM 0 HA PHE A 66 91.801 0.435 10.119 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.885 2.261 11.651 1.00 0.00 H new ATOM 0 HB3 PHE A 66 91.342 2.795 10.835 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.544 1.883 8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.870 2.410 10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.303 2.021 6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.632 2.552 8.311 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.850 2.356 6.163 1.00 0.00 H new ATOM 1124 N GLY A 67 91.533 -0.282 13.159 1.00 0.00 N ATOM 1125 CA GLY A 67 92.240 -0.389 14.464 1.00 0.00 C ATOM 1126 C GLY A 67 91.772 0.747 15.369 1.00 0.00 C ATOM 1127 O GLY A 67 92.077 0.788 16.545 1.00 0.00 O ATOM 0 H GLY A 67 90.748 -0.921 13.037 1.00 0.00 H new ATOM 0 HA2 GLY A 67 92.031 -1.353 14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 67 93.318 -0.334 14.315 1.00 0.00 H new ATOM 1131 N ASP A 68 91.028 1.673 14.826 1.00 0.00 N ATOM 1132 CA ASP A 68 90.532 2.811 15.647 1.00 0.00 C ATOM 1133 C ASP A 68 89.268 2.385 16.394 1.00 0.00 C ATOM 1134 O ASP A 68 88.165 2.537 15.907 1.00 0.00 O ATOM 1135 CB ASP A 68 90.219 3.996 14.734 1.00 0.00 C ATOM 1136 CG ASP A 68 91.306 4.119 13.664 1.00 0.00 C ATOM 1137 OD1 ASP A 68 92.417 3.688 13.925 1.00 0.00 O ATOM 1138 OD2 ASP A 68 91.009 4.641 12.603 1.00 0.00 O ATOM 0 H ASP A 68 90.743 1.689 13.847 1.00 0.00 H new ATOM 0 HA ASP A 68 91.295 3.104 16.368 1.00 0.00 H new ATOM 0 HB2 ASP A 68 89.245 3.859 14.264 1.00 0.00 H new ATOM 0 HB3 ASP A 68 90.164 4.914 15.319 1.00 0.00 H new ATOM 1143 N TYR A 69 89.422 1.850 17.574 1.00 0.00 N ATOM 1144 CA TYR A 69 88.239 1.409 18.365 1.00 0.00 C ATOM 1145 C TYR A 69 87.149 2.483 18.313 1.00 0.00 C ATOM 1146 O TYR A 69 85.990 2.198 18.085 1.00 0.00 O ATOM 1147 CB TYR A 69 88.665 1.187 19.817 1.00 0.00 C ATOM 1148 CG TYR A 69 87.454 0.852 20.653 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.892 -0.426 20.583 1.00 0.00 C ATOM 1150 CD2 TYR A 69 86.894 1.819 21.496 1.00 0.00 C ATOM 1151 CE1 TYR A 69 85.769 -0.741 21.357 1.00 0.00 C ATOM 1152 CE2 TYR A 69 85.771 1.506 22.271 1.00 0.00 C ATOM 1153 CZ TYR A 69 85.208 0.225 22.202 1.00 0.00 C ATOM 1154 OH TYR A 69 84.101 -0.085 22.965 1.00 0.00 O ATOM 0 H TYR A 69 90.323 1.699 18.027 1.00 0.00 H new ATOM 0 HA TYR A 69 87.847 0.482 17.947 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.394 0.378 19.873 1.00 0.00 H new ATOM 0 HB3 TYR A 69 89.151 2.082 20.205 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.324 -1.171 19.931 1.00 0.00 H new ATOM 0 HD2 TYR A 69 87.328 2.806 21.549 1.00 0.00 H new ATOM 0 HE1 TYR A 69 85.335 -1.729 21.303 1.00 0.00 H new ATOM 0 HE2 TYR A 69 85.339 2.252 22.922 1.00 0.00 H new ATOM 0 HH TYR A 69 83.840 0.697 23.495 1.00 0.00 H new ATOM 1164 N GLN A 70 87.516 3.712 18.528 1.00 0.00 N ATOM 1165 CA GLN A 70 86.512 4.811 18.499 1.00 0.00 C ATOM 1166 C GLN A 70 85.687 4.731 17.212 1.00 0.00 C ATOM 1167 O GLN A 70 84.477 4.838 17.230 1.00 0.00 O ATOM 1168 CB GLN A 70 87.229 6.166 18.568 1.00 0.00 C ATOM 1169 CG GLN A 70 88.463 6.162 17.667 1.00 0.00 C ATOM 1170 CD GLN A 70 89.151 7.526 17.739 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.887 8.396 16.933 1.00 0.00 O ATOM 1172 NE2 GLN A 70 90.030 7.750 18.677 1.00 0.00 N ATOM 0 H GLN A 70 88.473 4.006 18.724 1.00 0.00 H new ATOM 0 HA GLN A 70 85.847 4.709 19.356 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.549 6.961 18.261 1.00 0.00 H new ATOM 0 HB3 GLN A 70 87.522 6.378 19.596 1.00 0.00 H new ATOM 0 HG2 GLN A 70 89.153 5.378 17.980 1.00 0.00 H new ATOM 0 HG3 GLN A 70 88.175 5.942 16.639 1.00 0.00 H new ATOM 0 HE21 GLN A 70 90.251 7.019 19.353 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.496 8.656 18.734 1.00 0.00 H new ATOM 1181 N ASP A 71 86.331 4.553 16.095 1.00 0.00 N ATOM 1182 CA ASP A 71 85.588 4.477 14.810 1.00 0.00 C ATOM 1183 C ASP A 71 84.835 3.150 14.729 1.00 0.00 C ATOM 1184 O ASP A 71 83.684 3.098 14.344 1.00 0.00 O ATOM 1185 CB ASP A 71 86.580 4.578 13.652 1.00 0.00 C ATOM 1186 CG ASP A 71 85.843 4.965 12.368 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.761 4.445 12.150 1.00 0.00 O ATOM 1188 OD2 ASP A 71 86.373 5.774 11.624 1.00 0.00 O ATOM 0 H ASP A 71 87.343 4.457 16.017 1.00 0.00 H new ATOM 0 HA ASP A 71 84.872 5.297 14.751 1.00 0.00 H new ATOM 0 HB2 ASP A 71 87.345 5.320 13.881 1.00 0.00 H new ATOM 0 HB3 ASP A 71 87.091 3.625 13.515 1.00 0.00 H new ATOM 1193 N GLY A 72 85.481 2.077 15.087 1.00 0.00 N ATOM 1194 CA GLY A 72 84.813 0.746 15.031 1.00 0.00 C ATOM 1195 C GLY A 72 84.972 0.152 13.631 1.00 0.00 C ATOM 1196 O GLY A 72 85.629 0.714 12.777 1.00 0.00 O ATOM 0 H GLY A 72 86.446 2.063 15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 72 85.249 0.077 15.773 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.756 0.848 15.276 1.00 0.00 H new ATOM 1200 N TYR A 73 84.379 -0.984 13.391 1.00 0.00 N ATOM 1201 CA TYR A 73 84.498 -1.620 12.049 1.00 0.00 C ATOM 1202 C TYR A 73 83.529 -0.955 11.069 1.00 0.00 C ATOM 1203 O TYR A 73 82.558 -0.338 11.459 1.00 0.00 O ATOM 1204 CB TYR A 73 84.161 -3.109 12.159 1.00 0.00 C ATOM 1205 CG TYR A 73 84.839 -3.692 13.376 1.00 0.00 C ATOM 1206 CD1 TYR A 73 86.231 -3.808 13.406 1.00 0.00 C ATOM 1207 CD2 TYR A 73 84.077 -4.115 14.472 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.866 -4.348 14.531 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.710 -4.655 15.598 1.00 0.00 C ATOM 1210 CZ TYR A 73 86.104 -4.771 15.628 1.00 0.00 C ATOM 1211 OH TYR A 73 86.729 -5.304 16.738 1.00 0.00 O ATOM 0 H TYR A 73 83.816 -1.500 14.067 1.00 0.00 H new ATOM 0 HA TYR A 73 85.518 -1.498 11.686 1.00 0.00 H new ATOM 0 HB2 TYR A 73 83.082 -3.244 12.232 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.488 -3.634 11.261 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.818 -3.481 12.560 1.00 0.00 H new ATOM 0 HD2 TYR A 73 83.001 -4.025 14.449 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.942 -4.438 14.553 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.122 -4.982 16.443 1.00 0.00 H new ATOM 0 HH TYR A 73 86.056 -5.546 17.408 1.00 0.00 H new ATOM 1221 N TYR A 74 83.788 -1.092 9.794 1.00 0.00 N ATOM 1222 CA TYR A 74 82.898 -0.496 8.756 1.00 0.00 C ATOM 1223 C TYR A 74 82.607 -1.562 7.705 1.00 0.00 C ATOM 1224 O TYR A 74 83.456 -1.913 6.914 1.00 0.00 O ATOM 1225 CB TYR A 74 83.617 0.680 8.099 1.00 0.00 C ATOM 1226 CG TYR A 74 82.739 1.291 7.031 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.703 2.161 7.389 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.966 0.990 5.681 1.00 0.00 C ATOM 1229 CE1 TYR A 74 80.894 2.730 6.399 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.156 1.559 4.692 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.120 2.430 5.051 1.00 0.00 C ATOM 1232 OH TYR A 74 80.321 2.993 4.077 1.00 0.00 O ATOM 0 H TYR A 74 84.591 -1.600 9.424 1.00 0.00 H new ATOM 0 HA TYR A 74 81.968 -0.148 9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.866 1.430 8.850 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.557 0.344 7.661 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.528 2.393 8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.766 0.319 5.404 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.094 3.401 6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.330 1.326 3.652 1.00 0.00 H new ATOM 0 HH TYR A 74 79.421 2.609 4.130 1.00 0.00 H new ATOM 1242 N SER A 75 81.415 -2.089 7.702 1.00 0.00 N ATOM 1243 CA SER A 75 81.049 -3.156 6.720 1.00 0.00 C ATOM 1244 C SER A 75 79.825 -2.743 5.904 1.00 0.00 C ATOM 1245 O SER A 75 79.073 -1.864 6.277 1.00 0.00 O ATOM 1246 CB SER A 75 80.733 -4.441 7.482 1.00 0.00 C ATOM 1247 OG SER A 75 79.425 -4.352 8.033 1.00 0.00 O ATOM 0 H SER A 75 80.668 -1.825 8.344 1.00 0.00 H new ATOM 0 HA SER A 75 81.886 -3.312 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 75 80.801 -5.299 6.814 1.00 0.00 H new ATOM 0 HB3 SER A 75 81.464 -4.596 8.275 1.00 0.00 H new ATOM 0 HG SER A 75 79.219 -5.176 8.521 1.00 0.00 H new ATOM 1253 N VAL A 76 79.630 -3.388 4.786 1.00 0.00 N ATOM 1254 CA VAL A 76 78.463 -3.070 3.911 1.00 0.00 C ATOM 1255 C VAL A 76 78.073 -4.329 3.139 1.00 0.00 C ATOM 1256 O VAL A 76 78.765 -5.327 3.175 1.00 0.00 O ATOM 1257 CB VAL A 76 78.844 -1.968 2.922 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.087 -0.661 3.678 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.121 -2.375 2.183 1.00 0.00 C ATOM 0 H VAL A 76 80.236 -4.130 4.437 1.00 0.00 H new ATOM 0 HA VAL A 76 77.627 -2.729 4.521 1.00 0.00 H new ATOM 0 HB VAL A 76 78.035 -1.824 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.358 0.123 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.179 -0.373 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.897 -0.800 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.397 -1.593 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.928 -2.516 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.948 -3.306 1.644 1.00 0.00 H new ATOM 1269 N GLN A 77 76.972 -4.299 2.443 1.00 0.00 N ATOM 1270 CA GLN A 77 76.548 -5.499 1.680 1.00 0.00 C ATOM 1271 C GLN A 77 77.356 -5.594 0.385 1.00 0.00 C ATOM 1272 O GLN A 77 77.597 -4.610 -0.284 1.00 0.00 O ATOM 1273 CB GLN A 77 75.056 -5.377 1.352 1.00 0.00 C ATOM 1274 CG GLN A 77 74.216 -5.769 2.578 1.00 0.00 C ATOM 1275 CD GLN A 77 74.071 -7.292 2.648 1.00 0.00 C ATOM 1276 OE1 GLN A 77 73.751 -7.929 1.664 1.00 0.00 O ATOM 1277 NE2 GLN A 77 74.294 -7.904 3.778 1.00 0.00 N ATOM 0 H GLN A 77 76.349 -3.495 2.371 1.00 0.00 H new ATOM 0 HA GLN A 77 76.721 -6.396 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.823 -4.355 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.807 -6.021 0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.689 -5.398 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.232 -5.304 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 77 74.563 -7.369 4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 77 74.200 -8.918 3.836 1.00 0.00 H new ATOM 1286 N THR A 78 77.774 -6.781 0.031 1.00 0.00 N ATOM 1287 CA THR A 78 78.569 -6.970 -1.214 1.00 0.00 C ATOM 1288 C THR A 78 78.297 -8.362 -1.774 1.00 0.00 C ATOM 1289 O THR A 78 78.525 -9.363 -1.124 1.00 0.00 O ATOM 1290 CB THR A 78 80.062 -6.854 -0.902 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.461 -7.957 -0.100 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.339 -5.551 -0.154 1.00 0.00 C ATOM 0 H THR A 78 77.595 -7.636 0.559 1.00 0.00 H new ATOM 0 HA THR A 78 78.285 -6.206 -1.938 1.00 0.00 H new ATOM 0 HB THR A 78 80.626 -6.855 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.727 -8.604 -0.046 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.404 -5.476 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.035 -4.706 -0.771 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.776 -5.540 0.779 1.00 0.00 H new ATOM 1300 N THR A 79 77.818 -8.432 -2.977 1.00 0.00 N ATOM 1301 CA THR A 79 77.536 -9.757 -3.591 1.00 0.00 C ATOM 1302 C THR A 79 78.855 -10.479 -3.851 1.00 0.00 C ATOM 1303 O THR A 79 78.896 -11.680 -4.028 1.00 0.00 O ATOM 1304 CB THR A 79 76.810 -9.550 -4.916 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.620 -8.805 -4.693 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.462 -10.907 -5.529 1.00 0.00 C ATOM 0 H THR A 79 77.608 -7.627 -3.567 1.00 0.00 H new ATOM 0 HA THR A 79 76.916 -10.351 -2.919 1.00 0.00 H new ATOM 0 HB THR A 79 77.456 -9.002 -5.602 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.154 -8.670 -5.545 1.00 0.00 H new ATOM 0 HG21 THR A 79 75.943 -10.756 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.377 -11.473 -5.703 1.00 0.00 H new ATOM 0 HG23 THR A 79 75.817 -11.460 -4.846 1.00 0.00 H new ATOM 1314 N GLU A 80 79.936 -9.749 -3.878 1.00 0.00 N ATOM 1315 CA GLU A 80 81.265 -10.373 -4.131 1.00 0.00 C ATOM 1316 C GLU A 80 82.347 -9.571 -3.407 1.00 0.00 C ATOM 1317 O GLU A 80 83.338 -9.171 -3.987 1.00 0.00 O ATOM 1318 CB GLU A 80 81.545 -10.395 -5.641 1.00 0.00 C ATOM 1319 CG GLU A 80 81.422 -8.974 -6.237 1.00 0.00 C ATOM 1320 CD GLU A 80 80.958 -9.050 -7.697 1.00 0.00 C ATOM 1321 OE1 GLU A 80 80.025 -9.790 -7.963 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.543 -8.367 -8.521 1.00 0.00 O ATOM 0 H GLU A 80 79.955 -8.739 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 80 81.267 -11.397 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.545 -10.787 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 80 80.843 -11.065 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.713 -8.387 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.383 -8.463 -6.179 1.00 0.00 H new ATOM 1329 N GLY A 81 82.160 -9.341 -2.137 1.00 0.00 N ATOM 1330 CA GLY A 81 83.165 -8.573 -1.350 1.00 0.00 C ATOM 1331 C GLY A 81 84.538 -9.227 -1.495 1.00 0.00 C ATOM 1332 O GLY A 81 85.544 -8.686 -1.081 1.00 0.00 O ATOM 0 H GLY A 81 81.347 -9.655 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.204 -7.541 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.874 -8.543 -0.300 1.00 0.00 H new ATOM 1336 N GLU A 82 84.587 -10.388 -2.083 1.00 0.00 N ATOM 1337 CA GLU A 82 85.889 -11.082 -2.262 1.00 0.00 C ATOM 1338 C GLU A 82 86.806 -10.204 -3.113 1.00 0.00 C ATOM 1339 O GLU A 82 87.894 -9.843 -2.712 1.00 0.00 O ATOM 1340 CB GLU A 82 85.639 -12.424 -2.965 1.00 0.00 C ATOM 1341 CG GLU A 82 86.942 -12.968 -3.546 1.00 0.00 C ATOM 1342 CD GLU A 82 86.791 -14.457 -3.864 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.066 -14.773 -4.793 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.401 -15.255 -3.173 1.00 0.00 O ATOM 0 H GLU A 82 83.777 -10.888 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 82 86.363 -11.263 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.221 -13.140 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.904 -12.295 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.204 -12.419 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.756 -12.820 -2.837 1.00 0.00 H new ATOM 1351 N GLN A 83 86.363 -9.862 -4.283 1.00 0.00 N ATOM 1352 CA GLN A 83 87.189 -9.004 -5.177 1.00 0.00 C ATOM 1353 C GLN A 83 87.630 -7.778 -4.399 1.00 0.00 C ATOM 1354 O GLN A 83 88.789 -7.414 -4.380 1.00 0.00 O ATOM 1355 CB GLN A 83 86.363 -8.552 -6.381 1.00 0.00 C ATOM 1356 CG GLN A 83 85.683 -9.746 -7.040 1.00 0.00 C ATOM 1357 CD GLN A 83 84.645 -9.249 -8.038 1.00 0.00 C ATOM 1358 OE1 GLN A 83 83.472 -9.805 -8.046 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 84.903 -8.351 -8.814 1.00 0.00 N flip ATOM 0 H GLN A 83 85.459 -10.140 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 83 88.053 -9.570 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.612 -7.828 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.006 -8.048 -7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.423 -10.366 -7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.207 -10.371 -6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 83 85.826 -7.917 -8.804 1.00 0.00 H new ATOM 0 HE22 GLN A 83 84.196 -8.030 -9.476 1.00 0.00 H new ATOM 1368 N ILE A 84 86.706 -7.148 -3.744 1.00 0.00 N ATOM 1369 CA ILE A 84 87.049 -5.948 -2.942 1.00 0.00 C ATOM 1370 C ILE A 84 88.201 -6.312 -2.008 1.00 0.00 C ATOM 1371 O ILE A 84 89.037 -5.495 -1.677 1.00 0.00 O ATOM 1372 CB ILE A 84 85.829 -5.529 -2.126 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.617 -5.406 -3.057 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.096 -4.182 -1.451 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.424 -4.838 -2.285 1.00 0.00 C ATOM 0 H ILE A 84 85.721 -7.413 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 84 87.344 -5.122 -3.589 1.00 0.00 H new ATOM 0 HB ILE A 84 85.629 -6.279 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 84 84.859 -4.758 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.363 -6.383 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.222 -3.887 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 84 86.958 -4.271 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.298 -3.428 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.566 -4.753 -2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.176 -5.503 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.679 -3.853 -1.895 1.00 0.00 H new ATOM 1387 N ALA A 85 88.250 -7.550 -1.594 1.00 0.00 N ATOM 1388 CA ALA A 85 89.347 -8.003 -0.694 1.00 0.00 C ATOM 1389 C ALA A 85 90.564 -8.380 -1.538 1.00 0.00 C ATOM 1390 O ALA A 85 91.692 -8.279 -1.099 1.00 0.00 O ATOM 1391 CB ALA A 85 88.881 -9.223 0.100 1.00 0.00 C ATOM 0 H ALA A 85 87.572 -8.270 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 85 89.612 -7.201 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.683 -9.556 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.008 -8.957 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.620 -10.027 -0.588 1.00 0.00 H new ATOM 1397 N GLN A 86 90.341 -8.816 -2.748 1.00 0.00 N ATOM 1398 CA GLN A 86 91.480 -9.203 -3.622 1.00 0.00 C ATOM 1399 C GLN A 86 92.101 -7.946 -4.216 1.00 0.00 C ATOM 1400 O GLN A 86 93.302 -7.837 -4.360 1.00 0.00 O ATOM 1401 CB GLN A 86 90.970 -10.103 -4.744 1.00 0.00 C ATOM 1402 CG GLN A 86 92.145 -10.811 -5.413 1.00 0.00 C ATOM 1403 CD GLN A 86 91.715 -11.366 -6.769 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.585 -11.192 -7.182 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.578 -12.030 -7.483 1.00 0.00 N ATOM 0 H GLN A 86 89.417 -8.920 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 86 92.229 -9.740 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.271 -10.837 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.425 -9.510 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.974 -10.115 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.503 -11.620 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.525 -12.174 -7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.307 -12.406 -8.392 1.00 0.00 H new ATOM 1414 N LEU A 87 91.286 -6.992 -4.549 1.00 0.00 N ATOM 1415 CA LEU A 87 91.814 -5.731 -5.121 1.00 0.00 C ATOM 1416 C LEU A 87 92.536 -4.981 -4.011 1.00 0.00 C ATOM 1417 O LEU A 87 93.586 -4.401 -4.205 1.00 0.00 O ATOM 1418 CB LEU A 87 90.649 -4.886 -5.648 1.00 0.00 C ATOM 1419 CG LEU A 87 91.159 -3.527 -6.142 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.237 -3.728 -7.222 1.00 0.00 C ATOM 1421 CD2 LEU A 87 89.982 -2.738 -6.727 1.00 0.00 C ATOM 0 H LEU A 87 90.272 -7.032 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 87 92.499 -5.937 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.148 -5.412 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.910 -4.740 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 87 91.597 -2.977 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.593 -2.757 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.070 -4.292 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.812 -4.277 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.334 -1.769 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.549 -3.294 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.225 -2.590 -5.957 1.00 0.00 H new ATOM 1433 N ILE A 88 91.970 -5.002 -2.844 1.00 0.00 N ATOM 1434 CA ILE A 88 92.595 -4.309 -1.690 1.00 0.00 C ATOM 1435 C ILE A 88 93.800 -5.124 -1.216 1.00 0.00 C ATOM 1436 O ILE A 88 94.879 -4.601 -1.018 1.00 0.00 O ATOM 1437 CB ILE A 88 91.552 -4.192 -0.571 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.544 -3.100 -0.950 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.237 -3.831 0.755 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.386 -3.083 0.050 1.00 0.00 C ATOM 0 H ILE A 88 91.090 -5.475 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 88 92.933 -3.312 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 88 91.039 -5.146 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 88 91.037 -2.128 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.164 -3.279 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.487 -3.751 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.956 -4.608 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.755 -2.878 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.676 -2.304 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.884 -4.051 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.771 -2.882 1.050 1.00 0.00 H new ATOM 1452 N ALA A 89 93.626 -6.404 -1.045 1.00 0.00 N ATOM 1453 CA ALA A 89 94.762 -7.255 -0.597 1.00 0.00 C ATOM 1454 C ALA A 89 95.865 -7.197 -1.653 1.00 0.00 C ATOM 1455 O ALA A 89 97.000 -7.550 -1.404 1.00 0.00 O ATOM 1456 CB ALA A 89 94.290 -8.700 -0.434 1.00 0.00 C ATOM 0 H ALA A 89 92.746 -6.898 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 89 95.140 -6.893 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.124 -9.320 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.493 -8.741 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.916 -9.070 -1.388 1.00 0.00 H new ATOM 1462 N GLY A 90 95.529 -6.762 -2.838 1.00 0.00 N ATOM 1463 CA GLY A 90 96.544 -6.686 -3.928 1.00 0.00 C ATOM 1464 C GLY A 90 97.294 -5.352 -3.866 1.00 0.00 C ATOM 1465 O GLY A 90 98.430 -5.258 -4.279 1.00 0.00 O ATOM 0 H GLY A 90 94.592 -6.455 -3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.249 -7.512 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.055 -6.791 -4.897 1.00 0.00 H new ATOM 1469 N TYR A 91 96.677 -4.315 -3.360 1.00 0.00 N ATOM 1470 CA TYR A 91 97.383 -3.001 -3.293 1.00 0.00 C ATOM 1471 C TYR A 91 98.286 -2.975 -2.058 1.00 0.00 C ATOM 1472 O TYR A 91 99.153 -2.138 -1.934 1.00 0.00 O ATOM 1473 CB TYR A 91 96.356 -1.857 -3.189 1.00 0.00 C ATOM 1474 CG TYR A 91 95.830 -1.476 -4.561 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.710 -1.031 -5.563 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.456 -1.548 -4.826 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.213 -0.668 -6.820 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.963 -1.184 -6.082 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.841 -0.746 -7.080 1.00 0.00 C ATOM 1480 OH TYR A 91 94.352 -0.386 -8.319 1.00 0.00 O ATOM 0 H TYR A 91 95.725 -4.320 -2.994 1.00 0.00 H new ATOM 0 HA TYR A 91 97.980 -2.870 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.528 -2.163 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.818 -0.989 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.769 -0.969 -5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.776 -1.886 -4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.890 -0.327 -7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.903 -1.241 -6.283 1.00 0.00 H new ATOM 0 HH TYR A 91 93.379 -0.500 -8.332 1.00 0.00 H new ATOM 1490 N ILE A 92 98.077 -3.871 -1.137 1.00 0.00 N ATOM 1491 CA ILE A 92 98.912 -3.882 0.099 1.00 0.00 C ATOM 1492 C ILE A 92 100.200 -4.674 -0.134 1.00 0.00 C ATOM 1493 O ILE A 92 101.213 -4.426 0.488 1.00 0.00 O ATOM 1494 CB ILE A 92 98.116 -4.531 1.228 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.855 -3.702 1.487 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.979 -4.579 2.492 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.952 -4.428 2.486 1.00 0.00 C ATOM 0 H ILE A 92 97.363 -4.598 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 92 99.174 -2.858 0.363 1.00 0.00 H new ATOM 0 HB ILE A 92 97.832 -5.546 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 92 97.128 -2.721 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.319 -3.537 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.414 -5.042 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.878 -5.163 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.260 -3.566 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 92 95.057 -3.833 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.667 -5.399 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.488 -4.570 3.424 1.00 0.00 H new ATOM 1509 N ASP A 93 100.167 -5.634 -1.014 1.00 0.00 N ATOM 1510 CA ASP A 93 101.384 -6.454 -1.279 1.00 0.00 C ATOM 1511 C ASP A 93 102.279 -5.754 -2.303 1.00 0.00 C ATOM 1512 O ASP A 93 103.454 -6.038 -2.410 1.00 0.00 O ATOM 1513 CB ASP A 93 100.955 -7.815 -1.825 1.00 0.00 C ATOM 1514 CG ASP A 93 100.370 -8.660 -0.692 1.00 0.00 C ATOM 1515 OD1 ASP A 93 100.188 -8.123 0.388 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.114 -9.830 -0.923 1.00 0.00 O ATOM 0 H ASP A 93 99.347 -5.888 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 93 101.943 -6.581 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.215 -7.685 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 93 101.809 -8.326 -2.270 1.00 0.00 H new ATOM 1521 N ILE A 94 101.728 -4.858 -3.072 1.00 0.00 N ATOM 1522 CA ILE A 94 102.539 -4.154 -4.109 1.00 0.00 C ATOM 1523 C ILE A 94 103.232 -2.935 -3.502 1.00 0.00 C ATOM 1524 O ILE A 94 104.248 -2.483 -3.990 1.00 0.00 O ATOM 1525 CB ILE A 94 101.617 -3.710 -5.242 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.944 -4.943 -5.855 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.438 -2.990 -6.313 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.751 -4.506 -6.705 1.00 0.00 C ATOM 0 H ILE A 94 100.747 -4.580 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 94 103.301 -4.832 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 94 100.856 -3.033 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.658 -5.493 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.614 -5.619 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.781 -2.672 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.922 -2.117 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.197 -3.667 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.273 -5.384 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.033 -3.975 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.094 -3.847 -7.502 1.00 0.00 H new ATOM 1540 N ILE A 95 102.699 -2.398 -2.444 1.00 0.00 N ATOM 1541 CA ILE A 95 103.343 -1.207 -1.813 1.00 0.00 C ATOM 1542 C ILE A 95 104.445 -1.672 -0.870 1.00 0.00 C ATOM 1543 O ILE A 95 105.447 -1.010 -0.686 1.00 0.00 O ATOM 1544 CB ILE A 95 102.307 -0.418 -1.018 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.556 -1.360 -0.068 1.00 0.00 C ATOM 1546 CG2 ILE A 95 101.325 0.241 -1.986 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.476 -0.578 0.689 1.00 0.00 C ATOM 0 H ILE A 95 101.849 -2.727 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 95 103.763 -0.571 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 95 102.805 0.352 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 95 101.101 -2.174 -0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.253 -1.812 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 95 100.583 0.806 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.866 0.915 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.825 -0.527 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.945 -1.250 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.942 0.220 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.772 -0.147 -0.023 1.00 0.00 H new ATOM 1559 N LEU A 96 104.250 -2.801 -0.259 1.00 0.00 N ATOM 1560 CA LEU A 96 105.261 -3.331 0.698 1.00 0.00 C ATOM 1561 C LEU A 96 106.355 -4.094 -0.060 1.00 0.00 C ATOM 1562 O LEU A 96 107.483 -4.182 0.382 1.00 0.00 O ATOM 1563 CB LEU A 96 104.542 -4.272 1.680 1.00 0.00 C ATOM 1564 CG LEU A 96 104.019 -3.480 2.899 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.834 -4.222 3.528 1.00 0.00 C ATOM 1566 CD2 LEU A 96 105.134 -3.335 3.945 1.00 0.00 C ATOM 0 H LEU A 96 103.425 -3.388 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 96 105.732 -2.511 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.712 -4.768 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.226 -5.053 2.012 1.00 0.00 H new ATOM 0 HG LEU A 96 103.700 -2.492 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.468 -3.660 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 96 102.036 -4.322 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.155 -5.212 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.759 -2.776 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.458 -4.323 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.978 -2.803 3.506 1.00 0.00 H new ATOM 1681 N TRP B 2 89.096 -15.248 9.705 1.00 0.00 N ATOM 1682 CA TRP B 2 89.365 -13.820 9.366 1.00 0.00 C ATOM 1683 C TRP B 2 90.617 -13.730 8.484 1.00 0.00 C ATOM 1684 O TRP B 2 91.170 -14.724 8.057 1.00 0.00 O ATOM 1685 CB TRP B 2 89.593 -13.020 10.668 1.00 0.00 C ATOM 1686 CG TRP B 2 88.298 -12.474 11.182 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.503 -13.084 12.088 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.647 -11.216 10.844 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.403 -12.280 12.329 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.447 -11.117 11.585 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.979 -10.163 9.973 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.606 -10.009 11.468 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.135 -9.047 9.852 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.953 -8.971 10.598 1.00 0.00 C ATOM 0 HA TRP B 2 88.513 -13.406 8.827 1.00 0.00 H new ATOM 0 HB2 TRP B 2 90.048 -13.663 11.422 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.291 -12.203 10.482 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.695 -14.042 12.549 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.652 -12.517 12.977 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.889 -10.213 9.393 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.695 -9.954 12.045 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.399 -8.244 9.180 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.309 -8.110 10.501 1.00 0.00 H new ATOM 1705 N VAL B 3 91.067 -12.532 8.225 1.00 0.00 N ATOM 1706 CA VAL B 3 92.282 -12.334 7.393 1.00 0.00 C ATOM 1707 C VAL B 3 92.926 -11.007 7.801 1.00 0.00 C ATOM 1708 O VAL B 3 92.253 -10.012 7.987 1.00 0.00 O ATOM 1709 CB VAL B 3 91.903 -12.318 5.907 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.684 -11.427 5.701 1.00 0.00 C ATOM 1711 CG2 VAL B 3 93.079 -11.788 5.076 1.00 0.00 C ATOM 0 H VAL B 3 90.635 -11.671 8.561 1.00 0.00 H new ATOM 0 HA VAL B 3 92.988 -13.150 7.549 1.00 0.00 H new ATOM 0 HB VAL B 3 91.667 -13.332 5.585 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.415 -11.416 4.645 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.848 -11.814 6.284 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.915 -10.413 6.027 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.804 -11.779 4.021 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.323 -10.775 5.396 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.946 -12.433 5.220 1.00 0.00 H new ATOM 1745 N SER B 5 96.692 -8.322 7.495 1.00 0.00 N ATOM 1746 CA SER B 5 97.567 -7.766 6.419 1.00 0.00 C ATOM 1747 C SER B 5 98.977 -7.547 7.007 1.00 0.00 C ATOM 1748 O SER B 5 99.094 -7.283 8.187 1.00 0.00 O ATOM 1749 CB SER B 5 96.996 -6.425 5.948 1.00 0.00 C ATOM 1750 OG SER B 5 97.518 -5.382 6.760 1.00 0.00 O ATOM 0 HA SER B 5 97.615 -8.453 5.574 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.255 -6.253 4.903 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.908 -6.439 6.008 1.00 0.00 H new ATOM 0 HG SER B 5 96.812 -4.729 6.948 1.00 0.00 H new ATOM 1756 N PRO B 6 100.015 -7.656 6.196 1.00 0.00 N ATOM 1757 CA PRO B 6 101.394 -7.460 6.693 1.00 0.00 C ATOM 1758 C PRO B 6 101.563 -6.042 7.268 1.00 0.00 C ATOM 1759 O PRO B 6 102.431 -5.796 8.082 1.00 0.00 O ATOM 1760 CB PRO B 6 102.298 -7.674 5.456 1.00 0.00 C ATOM 1761 CG PRO B 6 101.364 -7.848 4.224 1.00 0.00 C ATOM 1762 CD PRO B 6 99.919 -7.974 4.753 1.00 0.00 C ATOM 0 HA PRO B 6 101.646 -8.148 7.500 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.965 -6.823 5.316 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.928 -8.554 5.588 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.453 -6.995 3.551 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.642 -8.734 3.654 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.248 -7.285 4.240 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.526 -8.978 4.595 1.00 0.00 H new ATOM 1770 N LEU B 7 100.752 -5.109 6.847 1.00 0.00 N ATOM 1771 CA LEU B 7 100.886 -3.720 7.369 1.00 0.00 C ATOM 1772 C LEU B 7 100.989 -3.749 8.898 1.00 0.00 C ATOM 1773 O LEU B 7 100.073 -4.158 9.584 1.00 0.00 O ATOM 1774 CB LEU B 7 99.661 -2.894 6.955 1.00 0.00 C ATOM 1775 CG LEU B 7 99.604 -2.758 5.419 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.168 -2.446 4.985 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.521 -1.617 4.952 1.00 0.00 C ATOM 0 H LEU B 7 100.005 -5.249 6.166 1.00 0.00 H new ATOM 0 HA LEU B 7 101.787 -3.267 6.955 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.751 -3.372 7.319 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.708 -1.906 7.413 1.00 0.00 H new ATOM 0 HG LEU B 7 99.936 -3.696 4.973 1.00 0.00 H new ATOM 0 HD11 LEU B 7 98.129 -2.350 3.900 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.508 -3.254 5.302 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.844 -1.512 5.444 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.472 -1.532 3.866 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.196 -0.680 5.405 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.547 -1.828 5.253 1.00 0.00 H new