USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 54 ASN : amide:sc= -3.42! C(o=-6.5!,f=-7.5!) USER MOD Set 1.2: A 58 ASN : amide:sc= -3.08! C(o=-6.5!,f=-8!) USER MOD Set 2.1: A 48 GLN : amide:sc= -0.998 K(o=-6,f=-11) USER MOD Set 2.2: A 49 ASN : amide:sc= -5.04! C(o=-6!,f=-12!) USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 50 SER OG : rot -170:sc= 0 USER MOD Single : A 7 SER OG : rot 24:sc= 0.0412 USER MOD Single : A 13 THR OG1 : rot -58:sc= 0.0646! USER MOD Single : A 14 MET CE :methyl -136:sc= -1.08 (180deg=-6.8!) USER MOD Single : A 18 GLN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 19 SER OG : rot 163:sc= -2.85! USER MOD Single : A 21 GLN : amide:sc= -0.0667 K(o=-0.067,f=-1.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -25:sc= 0.0297! USER MOD Single : A 27 SER OG : rot 166:sc= -0.361 USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0101 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.869 K(o=0.87,f=-0.94) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0393 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.615 K(o=-0.62,f=-1.9) USER MOD Single : A 56 SER OG : rot 150:sc= -0.133 USER MOD Single : A 60 CYS SG : rot 90:sc= -2.89! USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= 1.49 (180deg=-3.55!) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.57 F(o=-3.1!,f=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -5.84! C(o=-5.8!,f=-11!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.16) USER MOD Single : A 83 SER OG : rot -170:sc= -0.482 USER MOD Single : A 86 MET CE :methyl -153:sc= -7.67! (180deg=-11.6!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 14.607 1.554 0.290 1.00 0.00 N ATOM 89 CA SER A 7 14.861 0.405 -0.562 1.00 0.00 C ATOM 90 C SER A 7 15.263 -0.801 0.290 1.00 0.00 C ATOM 91 O SER A 7 15.104 -0.783 1.510 1.00 0.00 O ATOM 92 CB SER A 7 15.950 0.713 -1.592 1.00 0.00 C ATOM 93 OG SER A 7 15.605 1.821 -2.419 1.00 0.00 O ATOM 0 HA SER A 7 13.943 0.171 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 7 16.887 0.923 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.119 -0.165 -2.215 1.00 0.00 H new ATOM 0 HG SER A 7 14.959 2.390 -1.950 1.00 0.00 H new ATOM 99 N TYR A 8 15.775 -1.819 -0.385 1.00 0.00 N ATOM 100 CA TYR A 8 16.201 -3.030 0.295 1.00 0.00 C ATOM 101 C TYR A 8 17.356 -2.742 1.257 1.00 0.00 C ATOM 102 O TYR A 8 17.306 -3.124 2.425 1.00 0.00 O ATOM 103 CB TYR A 8 16.690 -3.979 -0.800 1.00 0.00 C ATOM 104 CG TYR A 8 15.645 -4.276 -1.878 1.00 0.00 C ATOM 105 CD1 TYR A 8 14.483 -4.944 -1.547 1.00 0.00 C ATOM 106 CD2 TYR A 8 15.865 -3.877 -3.180 1.00 0.00 C ATOM 107 CE1 TYR A 8 13.500 -5.223 -2.561 1.00 0.00 C ATOM 108 CE2 TYR A 8 14.882 -4.157 -4.195 1.00 0.00 C ATOM 109 CZ TYR A 8 13.748 -4.816 -3.835 1.00 0.00 C ATOM 110 OH TYR A 8 12.819 -5.080 -4.793 1.00 0.00 O ATOM 0 H TYR A 8 15.905 -1.830 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 8 15.382 -3.451 0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.572 -3.548 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 8 17.001 -4.918 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 8 14.312 -5.257 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 8 16.774 -3.355 -3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 8 12.586 -5.744 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 8 15.042 -3.851 -5.218 1.00 0.00 H new ATOM 0 HH TYR A 8 13.129 -4.731 -5.655 1.00 0.00 H new ATOM 120 N ILE A 9 18.369 -2.070 0.730 1.00 0.00 N ATOM 121 CA ILE A 9 19.534 -1.726 1.526 1.00 0.00 C ATOM 122 C ILE A 9 19.085 -1.330 2.934 1.00 0.00 C ATOM 123 O ILE A 9 19.648 -1.798 3.923 1.00 0.00 O ATOM 124 CB ILE A 9 20.367 -0.653 0.822 1.00 0.00 C ATOM 125 CG1 ILE A 9 21.752 -0.527 1.461 1.00 0.00 C ATOM 126 CG2 ILE A 9 19.625 0.685 0.793 1.00 0.00 C ATOM 127 CD1 ILE A 9 21.712 0.400 2.678 1.00 0.00 C ATOM 0 H ILE A 9 18.407 -1.755 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 9 20.192 -2.589 1.631 1.00 0.00 H new ATOM 0 HB ILE A 9 20.517 -0.961 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.109 -1.512 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 9 22.461 -0.141 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.239 1.430 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 9 18.683 0.567 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 9 19.424 1.012 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 9 22.709 0.472 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.378 1.391 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 9 21.021 -0.002 3.419 1.00 0.00 H new ATOM 139 N ALA A 10 18.076 -0.474 2.980 1.00 0.00 N ATOM 140 CA ALA A 10 17.545 -0.010 4.251 1.00 0.00 C ATOM 141 C ALA A 10 17.016 -1.206 5.045 1.00 0.00 C ATOM 142 O ALA A 10 17.292 -1.336 6.236 1.00 0.00 O ATOM 143 CB ALA A 10 16.467 1.046 3.999 1.00 0.00 C ATOM 0 H ALA A 10 17.611 -0.089 2.158 1.00 0.00 H new ATOM 0 HA ALA A 10 18.328 0.460 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.069 1.394 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.901 1.887 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.662 0.610 3.407 1.00 0.00 H new ATOM 149 N LEU A 11 16.265 -2.050 4.352 1.00 0.00 N ATOM 150 CA LEU A 11 15.695 -3.231 4.978 1.00 0.00 C ATOM 151 C LEU A 11 16.821 -4.096 5.546 1.00 0.00 C ATOM 152 O LEU A 11 16.652 -4.741 6.579 1.00 0.00 O ATOM 153 CB LEU A 11 14.787 -3.972 3.994 1.00 0.00 C ATOM 154 CG LEU A 11 13.355 -3.447 3.877 1.00 0.00 C ATOM 155 CD1 LEU A 11 12.627 -3.533 5.220 1.00 0.00 C ATOM 156 CD2 LEU A 11 13.336 -2.028 3.305 1.00 0.00 C ATOM 0 H LEU A 11 16.038 -1.939 3.364 1.00 0.00 H new ATOM 0 HA LEU A 11 15.057 -2.948 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.248 -3.936 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.745 -5.021 4.288 1.00 0.00 H new ATOM 0 HG LEU A 11 12.815 -4.084 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.611 -3.153 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.592 -4.572 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.158 -2.935 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.306 -1.679 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.899 -1.364 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.790 -2.029 2.314 1.00 0.00 H new ATOM 168 N ILE A 12 17.947 -4.081 4.847 1.00 0.00 N ATOM 169 CA ILE A 12 19.101 -4.855 5.269 1.00 0.00 C ATOM 170 C ILE A 12 19.631 -4.294 6.590 1.00 0.00 C ATOM 171 O ILE A 12 19.728 -5.017 7.581 1.00 0.00 O ATOM 172 CB ILE A 12 20.150 -4.904 4.157 1.00 0.00 C ATOM 173 CG1 ILE A 12 19.488 -5.024 2.783 1.00 0.00 C ATOM 174 CG2 ILE A 12 21.162 -6.024 4.406 1.00 0.00 C ATOM 175 CD1 ILE A 12 18.339 -6.035 2.815 1.00 0.00 C ATOM 0 H ILE A 12 18.084 -3.544 3.991 1.00 0.00 H new ATOM 0 HA ILE A 12 18.817 -5.891 5.453 1.00 0.00 H new ATOM 0 HB ILE A 12 20.702 -3.964 4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.112 -4.050 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 12 20.228 -5.332 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 12 21.896 -6.037 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 12 21.668 -5.852 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 12 20.643 -6.982 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 12 17.885 -6.102 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 12 18.723 -7.013 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.589 -5.711 3.537 1.00 0.00 H new ATOM 187 N THR A 13 19.959 -3.011 6.562 1.00 0.00 N ATOM 188 CA THR A 13 20.477 -2.345 7.745 1.00 0.00 C ATOM 189 C THR A 13 19.676 -2.757 8.982 1.00 0.00 C ATOM 190 O THR A 13 20.253 -3.139 10.000 1.00 0.00 O ATOM 191 CB THR A 13 20.459 -0.837 7.485 1.00 0.00 C ATOM 192 OG1 THR A 13 21.511 -0.635 6.545 1.00 0.00 O ATOM 193 CG2 THR A 13 20.891 -0.027 8.708 1.00 0.00 C ATOM 0 H THR A 13 19.876 -2.415 5.739 1.00 0.00 H new ATOM 0 HA THR A 13 21.506 -2.642 7.948 1.00 0.00 H new ATOM 0 HB THR A 13 19.457 -0.532 7.184 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.353 -0.967 6.920 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.860 1.036 8.470 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.215 -0.232 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.906 -0.307 8.990 1.00 0.00 H new ATOM 201 N MET A 14 18.361 -2.667 8.854 1.00 0.00 N ATOM 202 CA MET A 14 17.476 -3.026 9.949 1.00 0.00 C ATOM 203 C MET A 14 17.465 -4.540 10.171 1.00 0.00 C ATOM 204 O MET A 14 17.144 -5.008 11.262 1.00 0.00 O ATOM 205 CB MET A 14 16.057 -2.545 9.637 1.00 0.00 C ATOM 206 CG MET A 14 15.501 -3.246 8.397 1.00 0.00 C ATOM 207 SD MET A 14 13.743 -2.961 8.271 1.00 0.00 S ATOM 208 CE MET A 14 13.207 -3.638 9.833 1.00 0.00 C ATOM 0 H MET A 14 17.886 -2.351 8.008 1.00 0.00 H new ATOM 0 HA MET A 14 17.840 -2.547 10.858 1.00 0.00 H new ATOM 0 HB2 MET A 14 15.408 -2.739 10.491 1.00 0.00 H new ATOM 0 HB3 MET A 14 16.061 -1.467 9.478 1.00 0.00 H new ATOM 0 HG2 MET A 14 16.003 -2.875 7.504 1.00 0.00 H new ATOM 0 HG3 MET A 14 15.701 -4.316 8.454 1.00 0.00 H new ATOM 0 HE1 MET A 14 12.316 -4.247 9.679 1.00 0.00 H new ATOM 0 HE2 MET A 14 14.001 -4.256 10.253 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.977 -2.825 10.522 1.00 0.00 H new ATOM 218 N ALA A 15 17.819 -5.263 9.119 1.00 0.00 N ATOM 219 CA ALA A 15 17.854 -6.714 9.186 1.00 0.00 C ATOM 220 C ALA A 15 19.139 -7.157 9.887 1.00 0.00 C ATOM 221 O ALA A 15 19.091 -7.885 10.878 1.00 0.00 O ATOM 222 CB ALA A 15 17.730 -7.293 7.775 1.00 0.00 C ATOM 0 H ALA A 15 18.084 -4.871 8.215 1.00 0.00 H new ATOM 0 HA ALA A 15 17.014 -7.092 9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 15 17.756 -8.382 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.787 -6.973 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.558 -6.938 7.162 1.00 0.00 H new ATOM 228 N ILE A 16 20.259 -6.700 9.346 1.00 0.00 N ATOM 229 CA ILE A 16 21.555 -7.040 9.908 1.00 0.00 C ATOM 230 C ILE A 16 21.574 -6.673 11.393 1.00 0.00 C ATOM 231 O ILE A 16 22.186 -7.371 12.201 1.00 0.00 O ATOM 232 CB ILE A 16 22.678 -6.388 9.099 1.00 0.00 C ATOM 233 CG1 ILE A 16 22.634 -6.841 7.637 1.00 0.00 C ATOM 234 CG2 ILE A 16 24.041 -6.653 9.740 1.00 0.00 C ATOM 235 CD1 ILE A 16 22.953 -8.332 7.515 1.00 0.00 C ATOM 0 H ILE A 16 20.296 -6.097 8.524 1.00 0.00 H new ATOM 0 HA ILE A 16 21.729 -8.114 9.842 1.00 0.00 H new ATOM 0 HB ILE A 16 22.523 -5.309 9.107 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.647 -6.641 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.350 -6.263 7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 16 24.821 -6.179 9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.054 -6.242 10.750 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.220 -7.727 9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.915 -8.628 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 16 23.950 -8.524 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.221 -8.908 8.081 1.00 0.00 H new ATOM 247 N LEU A 17 20.898 -5.578 11.708 1.00 0.00 N ATOM 248 CA LEU A 17 20.830 -5.110 13.082 1.00 0.00 C ATOM 249 C LEU A 17 20.077 -6.137 13.930 1.00 0.00 C ATOM 250 O LEU A 17 20.091 -6.064 15.158 1.00 0.00 O ATOM 251 CB LEU A 17 20.228 -3.705 13.140 1.00 0.00 C ATOM 252 CG LEU A 17 21.223 -2.545 13.070 1.00 0.00 C ATOM 253 CD1 LEU A 17 22.117 -2.514 14.312 1.00 0.00 C ATOM 254 CD2 LEU A 17 22.040 -2.600 11.778 1.00 0.00 C ATOM 0 H LEU A 17 20.393 -5.001 11.035 1.00 0.00 H new ATOM 0 HA LEU A 17 21.831 -5.021 13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.520 -3.600 12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.658 -3.613 14.065 1.00 0.00 H new ATOM 0 HG LEU A 17 20.659 -1.612 13.055 1.00 0.00 H new ATOM 0 HD11 LEU A 17 22.815 -1.680 14.237 1.00 0.00 H new ATOM 0 HD12 LEU A 17 21.499 -2.391 15.202 1.00 0.00 H new ATOM 0 HD13 LEU A 17 22.674 -3.448 14.383 1.00 0.00 H new ATOM 0 HD21 LEU A 17 22.739 -1.764 11.754 1.00 0.00 H new ATOM 0 HD22 LEU A 17 22.594 -3.538 11.737 1.00 0.00 H new ATOM 0 HD23 LEU A 17 21.370 -2.537 10.921 1.00 0.00 H new ATOM 266 N GLN A 18 19.439 -7.072 13.241 1.00 0.00 N ATOM 267 CA GLN A 18 18.682 -8.113 13.915 1.00 0.00 C ATOM 268 C GLN A 18 19.629 -9.098 14.603 1.00 0.00 C ATOM 269 O GLN A 18 19.325 -9.609 15.679 1.00 0.00 O ATOM 270 CB GLN A 18 17.753 -8.836 12.938 1.00 0.00 C ATOM 271 CG GLN A 18 16.879 -7.840 12.173 1.00 0.00 C ATOM 272 CD GLN A 18 15.684 -7.397 13.020 1.00 0.00 C ATOM 273 OE1 GLN A 18 15.694 -6.357 13.658 1.00 0.00 O ATOM 274 NE2 GLN A 18 14.657 -8.241 12.991 1.00 0.00 N ATOM 0 H GLN A 18 19.431 -7.130 12.223 1.00 0.00 H new ATOM 0 HA GLN A 18 18.059 -7.646 14.678 1.00 0.00 H new ATOM 0 HB2 GLN A 18 18.344 -9.422 12.234 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.120 -9.537 13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.473 -6.970 11.892 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.525 -8.296 11.249 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.714 -9.095 12.436 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.812 -8.035 13.524 1.00 0.00 H new ATOM 283 N SER A 19 20.759 -9.335 13.952 1.00 0.00 N ATOM 284 CA SER A 19 21.753 -10.249 14.487 1.00 0.00 C ATOM 285 C SER A 19 23.114 -9.554 14.568 1.00 0.00 C ATOM 286 O SER A 19 24.048 -9.927 13.861 1.00 0.00 O ATOM 287 CB SER A 19 21.854 -11.515 13.632 1.00 0.00 C ATOM 288 OG SER A 19 22.631 -11.304 12.456 1.00 0.00 O ATOM 0 H SER A 19 21.008 -8.910 13.059 1.00 0.00 H new ATOM 0 HA SER A 19 21.442 -10.543 15.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.299 -12.316 14.222 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.853 -11.844 13.351 1.00 0.00 H new ATOM 0 HG SER A 19 22.902 -12.169 12.083 1.00 0.00 H new ATOM 294 N PRO A 20 23.183 -8.530 15.460 1.00 0.00 N ATOM 295 CA PRO A 20 24.414 -7.779 15.643 1.00 0.00 C ATOM 296 C PRO A 20 25.436 -8.590 16.442 1.00 0.00 C ATOM 297 O PRO A 20 25.951 -8.120 17.455 1.00 0.00 O ATOM 298 CB PRO A 20 23.992 -6.498 16.344 1.00 0.00 C ATOM 299 CG PRO A 20 22.624 -6.781 16.942 1.00 0.00 C ATOM 300 CD PRO A 20 22.096 -8.061 16.314 1.00 0.00 C ATOM 0 HA PRO A 20 24.915 -7.555 14.701 1.00 0.00 H new ATOM 0 HB2 PRO A 20 24.708 -6.223 17.119 1.00 0.00 H new ATOM 0 HB3 PRO A 20 23.947 -5.665 15.642 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.695 -6.888 18.024 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.944 -5.952 16.748 1.00 0.00 H new ATOM 0 HD2 PRO A 20 21.843 -8.800 17.074 1.00 0.00 H new ATOM 0 HD3 PRO A 20 21.191 -7.875 15.736 1.00 0.00 H new ATOM 308 N GLN A 21 25.700 -9.793 15.955 1.00 0.00 N ATOM 309 CA GLN A 21 26.652 -10.674 16.611 1.00 0.00 C ATOM 310 C GLN A 21 27.521 -11.385 15.572 1.00 0.00 C ATOM 311 O GLN A 21 28.669 -11.001 15.350 1.00 0.00 O ATOM 312 CB GLN A 21 25.936 -11.683 17.510 1.00 0.00 C ATOM 313 CG GLN A 21 26.819 -12.086 18.694 1.00 0.00 C ATOM 314 CD GLN A 21 25.974 -12.636 19.845 1.00 0.00 C ATOM 315 OE1 GLN A 21 24.757 -12.689 19.786 1.00 0.00 O ATOM 316 NE2 GLN A 21 26.686 -13.040 20.893 1.00 0.00 N ATOM 0 H GLN A 21 25.271 -10.179 15.114 1.00 0.00 H new ATOM 0 HA GLN A 21 27.300 -10.069 17.245 1.00 0.00 H new ATOM 0 HB2 GLN A 21 25.004 -11.252 17.877 1.00 0.00 H new ATOM 0 HB3 GLN A 21 25.672 -12.568 16.931 1.00 0.00 H new ATOM 0 HG2 GLN A 21 27.540 -12.839 18.375 1.00 0.00 H new ATOM 0 HG3 GLN A 21 27.390 -11.223 19.037 1.00 0.00 H new ATOM 0 HE21 GLN A 21 27.703 -12.968 20.877 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.215 -13.422 21.713 1.00 0.00 H new ATOM 325 N LYS A 22 26.941 -12.408 14.962 1.00 0.00 N ATOM 326 CA LYS A 22 27.648 -13.176 13.952 1.00 0.00 C ATOM 327 C LYS A 22 26.808 -14.394 13.563 1.00 0.00 C ATOM 328 O LYS A 22 27.214 -15.532 13.795 1.00 0.00 O ATOM 329 CB LYS A 22 29.056 -13.529 14.434 1.00 0.00 C ATOM 330 CG LYS A 22 30.110 -13.089 13.416 1.00 0.00 C ATOM 331 CD LYS A 22 31.505 -13.560 13.834 1.00 0.00 C ATOM 332 CE LYS A 22 31.603 -15.086 13.797 1.00 0.00 C ATOM 333 NZ LYS A 22 32.227 -15.596 15.039 1.00 0.00 N ATOM 0 H LYS A 22 25.989 -12.723 15.148 1.00 0.00 H new ATOM 0 HA LYS A 22 27.786 -12.581 13.049 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.248 -13.047 15.393 1.00 0.00 H new ATOM 0 HB3 LYS A 22 29.129 -14.604 14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 22 29.864 -13.494 12.434 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.101 -12.003 13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 22 32.253 -13.128 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 22 31.727 -13.202 14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 22 30.609 -15.517 13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 22 32.190 -15.398 12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 32.286 -16.633 14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 33.183 -15.199 15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.651 -15.315 15.858 1.00 0.00 H new ATOM 347 N LYS A 23 25.652 -14.115 12.979 1.00 0.00 N ATOM 348 CA LYS A 23 24.752 -15.174 12.556 1.00 0.00 C ATOM 349 C LYS A 23 23.507 -14.554 11.917 1.00 0.00 C ATOM 350 O LYS A 23 22.928 -13.615 12.460 1.00 0.00 O ATOM 351 CB LYS A 23 24.441 -16.111 13.724 1.00 0.00 C ATOM 352 CG LYS A 23 23.755 -15.357 14.865 1.00 0.00 C ATOM 353 CD LYS A 23 22.549 -16.138 15.392 1.00 0.00 C ATOM 354 CE LYS A 23 22.891 -16.861 16.696 1.00 0.00 C ATOM 355 NZ LYS A 23 22.140 -18.132 16.796 1.00 0.00 N ATOM 0 H LYS A 23 25.318 -13.170 12.789 1.00 0.00 H new ATOM 0 HA LYS A 23 25.226 -15.796 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 23 23.799 -16.923 13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 23 25.363 -16.565 14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 23 24.466 -15.190 15.674 1.00 0.00 H new ATOM 0 HG3 LYS A 23 23.433 -14.376 14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 23 21.714 -15.457 15.558 1.00 0.00 H new ATOM 0 HD3 LYS A 23 22.225 -16.862 14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 23 23.962 -17.060 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 23 22.652 -16.222 17.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 22.384 -18.610 17.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 21.119 -17.934 16.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 22.389 -18.746 15.994 1.00 0.00 H new ATOM 369 N LEU A 24 23.132 -15.105 10.772 1.00 0.00 N ATOM 370 CA LEU A 24 21.967 -14.619 10.053 1.00 0.00 C ATOM 371 C LEU A 24 21.433 -15.728 9.144 1.00 0.00 C ATOM 372 O LEU A 24 22.062 -16.776 9.003 1.00 0.00 O ATOM 373 CB LEU A 24 22.298 -13.322 9.311 1.00 0.00 C ATOM 374 CG LEU A 24 21.148 -12.325 9.157 1.00 0.00 C ATOM 375 CD1 LEU A 24 20.484 -12.041 10.506 1.00 0.00 C ATOM 376 CD2 LEU A 24 21.622 -11.043 8.470 1.00 0.00 C ATOM 0 H LEU A 24 23.615 -15.884 10.324 1.00 0.00 H new ATOM 0 HA LEU A 24 21.168 -14.366 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 24 23.115 -12.826 9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.665 -13.579 8.317 1.00 0.00 H new ATOM 0 HG LEU A 24 20.391 -12.774 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.670 -11.329 10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 24 20.089 -12.969 10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 24 21.220 -11.622 11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 24 20.785 -10.351 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 24 22.408 -10.580 9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 24 22.011 -11.283 7.480 1.00 0.00 H new ATOM 388 N THR A 25 20.279 -15.460 8.552 1.00 0.00 N ATOM 389 CA THR A 25 19.654 -16.422 7.661 1.00 0.00 C ATOM 390 C THR A 25 18.681 -15.718 6.713 1.00 0.00 C ATOM 391 O THR A 25 17.702 -15.118 7.156 1.00 0.00 O ATOM 392 CB THR A 25 18.992 -17.501 8.520 1.00 0.00 C ATOM 393 OG1 THR A 25 20.061 -18.026 9.303 1.00 0.00 O ATOM 394 CG2 THR A 25 18.515 -18.697 7.693 1.00 0.00 C ATOM 0 H THR A 25 19.760 -14.590 8.672 1.00 0.00 H new ATOM 0 HA THR A 25 20.392 -16.904 7.019 1.00 0.00 H new ATOM 0 HB THR A 25 18.147 -17.070 9.056 1.00 0.00 H new ATOM 0 HG1 THR A 25 20.910 -17.884 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.053 -19.433 8.351 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.786 -18.362 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.366 -19.149 7.183 1.00 0.00 H new ATOM 402 N LEU A 26 18.983 -15.814 5.427 1.00 0.00 N ATOM 403 CA LEU A 26 18.147 -15.194 4.413 1.00 0.00 C ATOM 404 C LEU A 26 16.688 -15.590 4.650 1.00 0.00 C ATOM 405 O LEU A 26 15.812 -14.729 4.729 1.00 0.00 O ATOM 406 CB LEU A 26 18.658 -15.538 3.013 1.00 0.00 C ATOM 407 CG LEU A 26 18.052 -14.734 1.861 1.00 0.00 C ATOM 408 CD1 LEU A 26 18.267 -15.444 0.523 1.00 0.00 C ATOM 409 CD2 LEU A 26 16.574 -14.433 2.120 1.00 0.00 C ATOM 0 H LEU A 26 19.796 -16.312 5.063 1.00 0.00 H new ATOM 0 HA LEU A 26 18.200 -14.108 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 26 19.739 -15.398 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 26 18.471 -16.596 2.829 1.00 0.00 H new ATOM 0 HG LEU A 26 18.570 -13.777 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.827 -14.851 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.335 -15.563 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.793 -16.425 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.168 -13.861 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.024 -15.369 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.476 -13.855 3.039 1.00 0.00 H new ATOM 421 N SER A 27 16.471 -16.892 4.756 1.00 0.00 N ATOM 422 CA SER A 27 15.133 -17.412 4.981 1.00 0.00 C ATOM 423 C SER A 27 14.455 -16.639 6.115 1.00 0.00 C ATOM 424 O SER A 27 13.303 -16.228 5.988 1.00 0.00 O ATOM 425 CB SER A 27 15.170 -18.907 5.306 1.00 0.00 C ATOM 426 OG SER A 27 15.481 -19.148 6.676 1.00 0.00 O ATOM 0 H SER A 27 17.199 -17.603 4.690 1.00 0.00 H new ATOM 0 HA SER A 27 14.557 -17.281 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.204 -19.353 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.911 -19.397 4.674 1.00 0.00 H new ATOM 0 HG SER A 27 15.277 -20.080 6.899 1.00 0.00 H new ATOM 432 N GLY A 28 15.200 -16.465 7.197 1.00 0.00 N ATOM 433 CA GLY A 28 14.685 -15.749 8.351 1.00 0.00 C ATOM 434 C GLY A 28 14.437 -14.276 8.017 1.00 0.00 C ATOM 435 O GLY A 28 13.509 -13.664 8.544 1.00 0.00 O ATOM 0 H GLY A 28 16.155 -16.807 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.756 -16.211 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.393 -15.824 9.176 1.00 0.00 H new ATOM 439 N ILE A 29 15.283 -13.750 7.144 1.00 0.00 N ATOM 440 CA ILE A 29 15.168 -12.361 6.734 1.00 0.00 C ATOM 441 C ILE A 29 13.866 -12.171 5.953 1.00 0.00 C ATOM 442 O ILE A 29 13.014 -11.374 6.342 1.00 0.00 O ATOM 443 CB ILE A 29 16.416 -11.923 5.965 1.00 0.00 C ATOM 444 CG1 ILE A 29 17.267 -10.965 6.800 1.00 0.00 C ATOM 445 CG2 ILE A 29 16.042 -11.323 4.608 1.00 0.00 C ATOM 446 CD1 ILE A 29 17.603 -11.576 8.162 1.00 0.00 C ATOM 0 H ILE A 29 16.051 -14.261 6.709 1.00 0.00 H new ATOM 0 HA ILE A 29 15.116 -11.710 7.606 1.00 0.00 H new ATOM 0 HB ILE A 29 17.024 -12.807 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 29 18.188 -10.730 6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 29 16.732 -10.026 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 29 16.947 -11.020 4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.510 -12.067 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.402 -10.454 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 29 18.209 -10.875 8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 29 16.681 -11.787 8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 29 18.159 -12.502 8.018 1.00 0.00 H new ATOM 458 N CYS A 30 13.753 -12.917 4.864 1.00 0.00 N ATOM 459 CA CYS A 30 12.569 -12.842 4.024 1.00 0.00 C ATOM 460 C CYS A 30 11.336 -12.970 4.920 1.00 0.00 C ATOM 461 O CYS A 30 10.334 -12.289 4.705 1.00 0.00 O ATOM 462 CB CYS A 30 12.588 -13.903 2.923 1.00 0.00 C ATOM 463 SG CYS A 30 10.899 -14.150 2.262 1.00 0.00 S ATOM 0 H CYS A 30 14.462 -13.577 4.544 1.00 0.00 H new ATOM 0 HA CYS A 30 12.545 -11.881 3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.260 -13.595 2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.974 -14.843 3.319 1.00 0.00 H new ATOM 0 HG CYS A 30 10.927 -15.052 1.326 1.00 0.00 H new ATOM 469 N GLU A 31 11.449 -13.848 5.906 1.00 0.00 N ATOM 470 CA GLU A 31 10.355 -14.075 6.835 1.00 0.00 C ATOM 471 C GLU A 31 10.159 -12.851 7.733 1.00 0.00 C ATOM 472 O GLU A 31 9.035 -12.531 8.115 1.00 0.00 O ATOM 473 CB GLU A 31 10.597 -15.334 7.669 1.00 0.00 C ATOM 474 CG GLU A 31 9.321 -16.172 7.780 1.00 0.00 C ATOM 475 CD GLU A 31 8.942 -16.403 9.245 1.00 0.00 C ATOM 476 OE1 GLU A 31 9.467 -17.381 9.819 1.00 0.00 O ATOM 477 OE2 GLU A 31 8.136 -15.596 9.756 1.00 0.00 O ATOM 0 H GLU A 31 12.281 -14.411 6.082 1.00 0.00 H new ATOM 0 HA GLU A 31 9.442 -14.230 6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.389 -15.929 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.941 -15.054 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.504 -15.667 7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.467 -17.131 7.283 1.00 0.00 H new ATOM 484 N PHE A 32 11.271 -12.202 8.044 1.00 0.00 N ATOM 485 CA PHE A 32 11.236 -11.021 8.890 1.00 0.00 C ATOM 486 C PHE A 32 10.841 -9.781 8.085 1.00 0.00 C ATOM 487 O PHE A 32 10.451 -8.764 8.656 1.00 0.00 O ATOM 488 CB PHE A 32 12.649 -10.825 9.444 1.00 0.00 C ATOM 489 CG PHE A 32 13.174 -9.394 9.318 1.00 0.00 C ATOM 490 CD1 PHE A 32 13.846 -9.012 8.199 1.00 0.00 C ATOM 491 CD2 PHE A 32 12.969 -8.503 10.325 1.00 0.00 C ATOM 492 CE1 PHE A 32 14.334 -7.684 8.082 1.00 0.00 C ATOM 493 CE2 PHE A 32 13.456 -7.174 10.208 1.00 0.00 C ATOM 494 CZ PHE A 32 14.128 -6.793 9.089 1.00 0.00 C ATOM 0 H PHE A 32 12.202 -12.471 7.726 1.00 0.00 H new ATOM 0 HA PHE A 32 10.502 -11.155 9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 32 12.659 -11.114 10.495 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.329 -11.498 8.922 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.008 -9.719 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.436 -8.806 11.214 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.869 -7.381 7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 32 13.293 -6.466 11.007 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.498 -5.782 9.000 1.00 0.00 H new ATOM 504 N ILE A 33 10.954 -9.907 6.771 1.00 0.00 N ATOM 505 CA ILE A 33 10.614 -8.810 5.881 1.00 0.00 C ATOM 506 C ILE A 33 9.099 -8.783 5.669 1.00 0.00 C ATOM 507 O ILE A 33 8.451 -7.768 5.921 1.00 0.00 O ATOM 508 CB ILE A 33 11.415 -8.905 4.582 1.00 0.00 C ATOM 509 CG1 ILE A 33 12.903 -8.649 4.835 1.00 0.00 C ATOM 510 CG2 ILE A 33 10.846 -7.967 3.516 1.00 0.00 C ATOM 511 CD1 ILE A 33 13.131 -7.237 5.379 1.00 0.00 C ATOM 0 H ILE A 33 11.277 -10.753 6.301 1.00 0.00 H new ATOM 0 HA ILE A 33 10.891 -7.856 6.329 1.00 0.00 H new ATOM 0 HB ILE A 33 11.323 -9.921 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.286 -9.382 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.461 -8.780 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.434 -8.055 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.811 -8.238 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.887 -6.939 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 33 14.196 -7.081 5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.768 -6.506 4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.591 -7.117 6.318 1.00 0.00 H new ATOM 523 N SER A 34 8.578 -9.910 5.207 1.00 0.00 N ATOM 524 CA SER A 34 7.151 -10.029 4.957 1.00 0.00 C ATOM 525 C SER A 34 6.370 -9.743 6.241 1.00 0.00 C ATOM 526 O SER A 34 5.285 -9.165 6.197 1.00 0.00 O ATOM 527 CB SER A 34 6.800 -11.418 4.420 1.00 0.00 C ATOM 528 OG SER A 34 5.391 -11.610 4.320 1.00 0.00 O ATOM 0 H SER A 34 9.119 -10.750 4.999 1.00 0.00 H new ATOM 0 HA SER A 34 6.874 -9.296 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.255 -11.553 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.224 -12.178 5.076 1.00 0.00 H new ATOM 0 HG SER A 34 5.207 -12.508 3.972 1.00 0.00 H new ATOM 534 N ASN A 35 6.952 -10.161 7.356 1.00 0.00 N ATOM 535 CA ASN A 35 6.324 -9.957 8.650 1.00 0.00 C ATOM 536 C ASN A 35 6.188 -8.456 8.915 1.00 0.00 C ATOM 537 O ASN A 35 5.118 -7.984 9.297 1.00 0.00 O ATOM 538 CB ASN A 35 7.169 -10.561 9.774 1.00 0.00 C ATOM 539 CG ASN A 35 6.584 -11.894 10.244 1.00 0.00 C ATOM 540 OD1 ASN A 35 5.681 -11.951 11.063 1.00 0.00 O ATOM 541 ND2 ASN A 35 7.146 -12.960 9.681 1.00 0.00 N ATOM 0 H ASN A 35 7.852 -10.640 7.390 1.00 0.00 H new ATOM 0 HA ASN A 35 5.348 -10.443 8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.191 -10.711 9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.217 -9.865 10.612 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.825 -13.896 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.898 -12.841 9.002 1.00 0.00 H new ATOM 548 N ARG A 36 7.288 -7.748 8.703 1.00 0.00 N ATOM 549 CA ARG A 36 7.305 -6.311 8.914 1.00 0.00 C ATOM 550 C ARG A 36 6.565 -5.599 7.780 1.00 0.00 C ATOM 551 O ARG A 36 5.879 -4.604 8.009 1.00 0.00 O ATOM 552 CB ARG A 36 8.738 -5.782 8.990 1.00 0.00 C ATOM 553 CG ARG A 36 9.477 -6.371 10.194 1.00 0.00 C ATOM 554 CD ARG A 36 8.892 -5.847 11.507 1.00 0.00 C ATOM 555 NE ARG A 36 9.805 -4.846 12.103 1.00 0.00 N ATOM 556 CZ ARG A 36 9.473 -4.039 13.120 1.00 0.00 C ATOM 557 NH1 ARG A 36 8.249 -4.109 13.659 1.00 0.00 N ATOM 558 NH2 ARG A 36 10.366 -3.161 13.597 1.00 0.00 N ATOM 0 H ARG A 36 8.174 -8.143 8.387 1.00 0.00 H new ATOM 0 HA ARG A 36 6.805 -6.109 9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.271 -6.033 8.073 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.725 -4.695 9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.409 -7.459 10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.535 -6.116 10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.915 -5.399 11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.740 -6.673 12.202 1.00 0.00 H new ATOM 0 HE ARG A 36 10.745 -4.765 11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.569 -4.777 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.997 -3.495 14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.298 -3.107 13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.114 -2.547 14.371 1.00 0.00 H new ATOM 572 N PHE A 37 6.731 -6.136 6.580 1.00 0.00 N ATOM 573 CA PHE A 37 6.088 -5.564 5.409 1.00 0.00 C ATOM 574 C PHE A 37 5.475 -6.657 4.531 1.00 0.00 C ATOM 575 O PHE A 37 6.169 -7.270 3.722 1.00 0.00 O ATOM 576 CB PHE A 37 7.173 -4.836 4.613 1.00 0.00 C ATOM 577 CG PHE A 37 8.103 -3.976 5.471 1.00 0.00 C ATOM 578 CD1 PHE A 37 7.790 -2.677 5.721 1.00 0.00 C ATOM 579 CD2 PHE A 37 9.243 -4.512 5.985 1.00 0.00 C ATOM 580 CE1 PHE A 37 8.654 -1.879 6.518 1.00 0.00 C ATOM 581 CE2 PHE A 37 10.106 -3.715 6.782 1.00 0.00 C ATOM 582 CZ PHE A 37 9.793 -2.415 7.031 1.00 0.00 C ATOM 0 H PHE A 37 7.301 -6.961 6.393 1.00 0.00 H new ATOM 0 HA PHE A 37 5.288 -4.891 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.770 -5.572 4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.697 -4.203 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.885 -2.252 5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.491 -5.544 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.406 -0.847 6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.011 -4.141 7.190 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.450 -1.808 7.637 1.00 0.00 H new ATOM 592 N PRO A 38 4.147 -6.874 4.726 1.00 0.00 N ATOM 593 CA PRO A 38 3.433 -7.882 3.962 1.00 0.00 C ATOM 594 C PRO A 38 3.180 -7.408 2.529 1.00 0.00 C ATOM 595 O PRO A 38 3.428 -8.144 1.575 1.00 0.00 O ATOM 596 CB PRO A 38 2.151 -8.131 4.740 1.00 0.00 C ATOM 597 CG PRO A 38 1.977 -6.928 5.652 1.00 0.00 C ATOM 598 CD PRO A 38 3.292 -6.167 5.676 1.00 0.00 C ATOM 0 HA PRO A 38 4.001 -8.805 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.300 -8.237 4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.218 -9.053 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.172 -6.288 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.703 -7.248 6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.152 -5.126 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.729 -6.163 6.675 1.00 0.00 H new ATOM 606 N TYR A 39 2.691 -6.181 2.424 1.00 0.00 N ATOM 607 CA TYR A 39 2.402 -5.600 1.124 1.00 0.00 C ATOM 608 C TYR A 39 3.679 -5.454 0.293 1.00 0.00 C ATOM 609 O TYR A 39 3.630 -5.477 -0.936 1.00 0.00 O ATOM 610 CB TYR A 39 1.827 -4.210 1.401 1.00 0.00 C ATOM 611 CG TYR A 39 2.638 -3.390 2.407 1.00 0.00 C ATOM 612 CD1 TYR A 39 3.750 -2.690 1.989 1.00 0.00 C ATOM 613 CD2 TYR A 39 2.256 -3.352 3.733 1.00 0.00 C ATOM 614 CE1 TYR A 39 4.513 -1.918 2.935 1.00 0.00 C ATOM 615 CE2 TYR A 39 3.019 -2.580 4.680 1.00 0.00 C ATOM 616 CZ TYR A 39 4.110 -1.902 4.234 1.00 0.00 C ATOM 617 OH TYR A 39 4.831 -1.173 5.128 1.00 0.00 O ATOM 0 H TYR A 39 2.488 -5.573 3.218 1.00 0.00 H new ATOM 0 HA TYR A 39 1.713 -6.233 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.768 -3.659 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.808 -4.317 1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.049 -2.721 0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.385 -3.901 4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.385 -1.364 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.731 -2.541 5.720 1.00 0.00 H new ATOM 0 HH TYR A 39 4.427 -1.253 6.017 1.00 0.00 H new ATOM 627 N TYR A 40 4.791 -5.306 0.997 1.00 0.00 N ATOM 628 CA TYR A 40 6.079 -5.156 0.340 1.00 0.00 C ATOM 629 C TYR A 40 6.344 -6.318 -0.618 1.00 0.00 C ATOM 630 O TYR A 40 6.762 -6.107 -1.755 1.00 0.00 O ATOM 631 CB TYR A 40 7.126 -5.180 1.455 1.00 0.00 C ATOM 632 CG TYR A 40 7.775 -3.821 1.729 1.00 0.00 C ATOM 633 CD1 TYR A 40 7.063 -2.660 1.510 1.00 0.00 C ATOM 634 CD2 TYR A 40 9.073 -3.758 2.194 1.00 0.00 C ATOM 635 CE1 TYR A 40 7.673 -1.381 1.768 1.00 0.00 C ATOM 636 CE2 TYR A 40 9.683 -2.479 2.452 1.00 0.00 C ATOM 637 CZ TYR A 40 8.953 -1.354 2.226 1.00 0.00 C ATOM 638 OH TYR A 40 9.530 -0.147 2.469 1.00 0.00 O ATOM 0 H TYR A 40 4.827 -5.287 2.016 1.00 0.00 H new ATOM 0 HA TYR A 40 6.109 -4.234 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.658 -5.539 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.904 -5.897 1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.048 -2.710 1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.631 -4.667 2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.126 -0.465 1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.697 -2.415 2.817 1.00 0.00 H new ATOM 0 HH TYR A 40 10.445 -0.281 2.793 1.00 0.00 H new ATOM 648 N ARG A 41 6.091 -7.521 -0.123 1.00 0.00 N ATOM 649 CA ARG A 41 6.297 -8.718 -0.921 1.00 0.00 C ATOM 650 C ARG A 41 5.133 -8.914 -1.895 1.00 0.00 C ATOM 651 O ARG A 41 5.325 -9.405 -3.006 1.00 0.00 O ATOM 652 CB ARG A 41 6.424 -9.957 -0.033 1.00 0.00 C ATOM 653 CG ARG A 41 7.695 -10.741 -0.365 1.00 0.00 C ATOM 654 CD ARG A 41 7.356 -12.110 -0.959 1.00 0.00 C ATOM 655 NE ARG A 41 7.767 -13.182 -0.025 1.00 0.00 N ATOM 656 CZ ARG A 41 7.503 -14.483 -0.212 1.00 0.00 C ATOM 657 NH1 ARG A 41 6.828 -14.880 -1.300 1.00 0.00 N ATOM 658 NH2 ARG A 41 7.915 -15.386 0.688 1.00 0.00 N ATOM 0 H ARG A 41 5.745 -7.692 0.821 1.00 0.00 H new ATOM 0 HA ARG A 41 7.224 -8.589 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.440 -9.658 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.552 -10.597 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.302 -10.174 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.293 -10.870 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.286 -12.176 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.862 -12.236 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 41 8.283 -12.914 0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.515 -14.192 -1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.627 -15.870 -1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.429 -15.084 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.714 -16.376 0.546 1.00 0.00 H new ATOM 672 N GLU A 42 3.952 -8.519 -1.442 1.00 0.00 N ATOM 673 CA GLU A 42 2.757 -8.645 -2.259 1.00 0.00 C ATOM 674 C GLU A 42 2.864 -7.752 -3.497 1.00 0.00 C ATOM 675 O GLU A 42 2.234 -8.023 -4.518 1.00 0.00 O ATOM 676 CB GLU A 42 1.502 -8.314 -1.450 1.00 0.00 C ATOM 677 CG GLU A 42 0.281 -9.051 -2.005 1.00 0.00 C ATOM 678 CD GLU A 42 -0.440 -9.825 -0.900 1.00 0.00 C ATOM 679 OE1 GLU A 42 -1.002 -9.152 -0.009 1.00 0.00 O ATOM 680 OE2 GLU A 42 -0.414 -11.073 -0.971 1.00 0.00 O ATOM 0 H GLU A 42 3.797 -8.112 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 42 2.673 -9.681 -2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.654 -8.590 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.324 -7.239 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.404 -8.336 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.593 -9.738 -2.792 1.00 0.00 H new ATOM 687 N LYS A 43 3.665 -6.705 -3.364 1.00 0.00 N ATOM 688 CA LYS A 43 3.862 -5.770 -4.459 1.00 0.00 C ATOM 689 C LYS A 43 4.861 -6.361 -5.455 1.00 0.00 C ATOM 690 O LYS A 43 4.774 -6.104 -6.654 1.00 0.00 O ATOM 691 CB LYS A 43 4.267 -4.395 -3.923 1.00 0.00 C ATOM 692 CG LYS A 43 3.763 -3.279 -4.840 1.00 0.00 C ATOM 693 CD LYS A 43 4.692 -2.065 -4.787 1.00 0.00 C ATOM 694 CE LYS A 43 5.074 -1.606 -6.196 1.00 0.00 C ATOM 695 NZ LYS A 43 5.405 -0.163 -6.199 1.00 0.00 N ATOM 0 H LYS A 43 4.185 -6.483 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 43 2.928 -5.613 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.862 -4.258 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.352 -4.339 -3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.697 -3.647 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.757 -2.985 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.201 -1.250 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.592 -2.315 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.928 -2.182 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.250 -1.798 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.662 0.132 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.580 0.383 -5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.206 0.011 -5.559 1.00 0.00 H new ATOM 709 N PHE A 44 5.789 -7.142 -4.921 1.00 0.00 N ATOM 710 CA PHE A 44 6.804 -7.772 -5.748 1.00 0.00 C ATOM 711 C PHE A 44 7.162 -9.160 -5.214 1.00 0.00 C ATOM 712 O PHE A 44 7.903 -9.283 -4.240 1.00 0.00 O ATOM 713 CB PHE A 44 8.045 -6.880 -5.689 1.00 0.00 C ATOM 714 CG PHE A 44 9.055 -7.144 -6.808 1.00 0.00 C ATOM 715 CD1 PHE A 44 8.692 -6.967 -8.107 1.00 0.00 C ATOM 716 CD2 PHE A 44 10.315 -7.555 -6.504 1.00 0.00 C ATOM 717 CE1 PHE A 44 9.629 -7.212 -9.146 1.00 0.00 C ATOM 718 CE2 PHE A 44 11.252 -7.800 -7.543 1.00 0.00 C ATOM 719 CZ PHE A 44 10.889 -7.623 -8.842 1.00 0.00 C ATOM 0 H PHE A 44 5.859 -7.353 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 44 6.435 -7.889 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.732 -5.837 -5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.538 -7.024 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.691 -6.640 -8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.603 -7.695 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.341 -7.072 -10.177 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.253 -8.127 -7.302 1.00 0.00 H new ATOM 0 HZ PHE A 44 11.602 -7.809 -9.632 1.00 0.00 H new ATOM 729 N PRO A 45 6.606 -10.199 -5.894 1.00 0.00 N ATOM 730 CA PRO A 45 6.860 -11.574 -5.498 1.00 0.00 C ATOM 731 C PRO A 45 8.266 -12.012 -5.910 1.00 0.00 C ATOM 732 O PRO A 45 8.432 -13.037 -6.571 1.00 0.00 O ATOM 733 CB PRO A 45 5.764 -12.385 -6.170 1.00 0.00 C ATOM 734 CG PRO A 45 5.219 -11.506 -7.284 1.00 0.00 C ATOM 735 CD PRO A 45 5.724 -10.092 -7.053 1.00 0.00 C ATOM 0 HA PRO A 45 6.834 -11.713 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.158 -13.320 -6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.980 -12.646 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.547 -11.874 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.129 -11.526 -7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.259 -9.715 -7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.901 -9.404 -6.862 1.00 0.00 H new ATOM 743 N ALA A 46 9.243 -11.215 -5.504 1.00 0.00 N ATOM 744 CA ALA A 46 10.630 -11.508 -5.822 1.00 0.00 C ATOM 745 C ALA A 46 11.543 -10.627 -4.967 1.00 0.00 C ATOM 746 O ALA A 46 12.226 -9.746 -5.487 1.00 0.00 O ATOM 747 CB ALA A 46 10.863 -11.307 -7.321 1.00 0.00 C ATOM 0 H ALA A 46 9.101 -10.366 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 46 10.865 -12.547 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.904 -11.527 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.212 -11.977 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.639 -10.274 -7.589 1.00 0.00 H new ATOM 753 N TRP A 47 11.524 -10.895 -3.670 1.00 0.00 N ATOM 754 CA TRP A 47 12.341 -10.137 -2.737 1.00 0.00 C ATOM 755 C TRP A 47 13.507 -11.027 -2.300 1.00 0.00 C ATOM 756 O TRP A 47 14.207 -10.711 -1.339 1.00 0.00 O ATOM 757 CB TRP A 47 11.504 -9.629 -1.562 1.00 0.00 C ATOM 758 CG TRP A 47 10.913 -8.234 -1.777 1.00 0.00 C ATOM 759 CD1 TRP A 47 10.152 -7.808 -2.795 1.00 0.00 C ATOM 760 CD2 TRP A 47 11.065 -7.092 -0.908 1.00 0.00 C ATOM 761 NE1 TRP A 47 9.805 -6.481 -2.646 1.00 0.00 N ATOM 762 CE2 TRP A 47 10.377 -6.032 -1.462 1.00 0.00 C ATOM 763 CE3 TRP A 47 11.761 -6.960 0.307 1.00 0.00 C ATOM 764 CZ2 TRP A 47 10.318 -4.764 -0.871 1.00 0.00 C ATOM 765 CZ3 TRP A 47 11.692 -5.686 0.885 1.00 0.00 C ATOM 766 CH2 TRP A 47 11.004 -4.609 0.339 1.00 0.00 C ATOM 0 H TRP A 47 10.956 -11.626 -3.243 1.00 0.00 H new ATOM 0 HA TRP A 47 12.744 -9.244 -3.214 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.692 -10.332 -1.377 1.00 0.00 H new ATOM 0 HB3 TRP A 47 12.125 -9.616 -0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.849 -8.426 -3.627 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.234 -5.931 -3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 47 12.305 -7.776 0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 9.773 -3.950 -1.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 12.209 -5.530 1.820 1.00 0.00 H new ATOM 0 HH2 TRP A 47 10.999 -3.656 0.847 1.00 0.00 H new ATOM 777 N GLN A 48 13.680 -12.121 -3.027 1.00 0.00 N ATOM 778 CA GLN A 48 14.749 -13.058 -2.726 1.00 0.00 C ATOM 779 C GLN A 48 16.092 -12.502 -3.202 1.00 0.00 C ATOM 780 O GLN A 48 16.883 -12.006 -2.401 1.00 0.00 O ATOM 781 CB GLN A 48 14.470 -14.427 -3.349 1.00 0.00 C ATOM 782 CG GLN A 48 13.898 -14.280 -4.761 1.00 0.00 C ATOM 783 CD GLN A 48 14.718 -15.086 -5.771 1.00 0.00 C ATOM 784 OE1 GLN A 48 15.223 -14.569 -6.753 1.00 0.00 O ATOM 785 NE2 GLN A 48 14.821 -16.379 -5.475 1.00 0.00 N ATOM 0 H GLN A 48 13.098 -12.380 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 48 14.796 -13.190 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.391 -15.009 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.768 -14.979 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.862 -14.619 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.893 -13.228 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.373 -16.747 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.348 -17.002 -6.087 1.00 0.00 H new ATOM 794 N ASN A 49 16.309 -12.603 -4.506 1.00 0.00 N ATOM 795 CA ASN A 49 17.543 -12.116 -5.099 1.00 0.00 C ATOM 796 C ASN A 49 17.619 -10.597 -4.933 1.00 0.00 C ATOM 797 O ASN A 49 18.708 -10.033 -4.835 1.00 0.00 O ATOM 798 CB ASN A 49 17.597 -12.431 -6.595 1.00 0.00 C ATOM 799 CG ASN A 49 16.709 -11.472 -7.390 1.00 0.00 C ATOM 800 OD1 ASN A 49 16.759 -10.263 -7.231 1.00 0.00 O ATOM 801 ND2 ASN A 49 15.897 -12.076 -8.252 1.00 0.00 N ATOM 0 H ASN A 49 15.651 -13.015 -5.168 1.00 0.00 H new ATOM 0 HA ASN A 49 18.376 -12.608 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.625 -12.358 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.274 -13.458 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.265 -11.523 -8.831 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.906 -13.093 -8.335 1.00 0.00 H new ATOM 808 N SER A 50 16.448 -9.977 -4.907 1.00 0.00 N ATOM 809 CA SER A 50 16.368 -8.534 -4.755 1.00 0.00 C ATOM 810 C SER A 50 17.041 -8.108 -3.449 1.00 0.00 C ATOM 811 O SER A 50 18.003 -7.341 -3.464 1.00 0.00 O ATOM 812 CB SER A 50 14.915 -8.057 -4.783 1.00 0.00 C ATOM 813 OG SER A 50 14.477 -7.759 -6.106 1.00 0.00 O ATOM 0 H SER A 50 15.547 -10.448 -4.989 1.00 0.00 H new ATOM 0 HA SER A 50 16.890 -8.072 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.273 -8.825 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.813 -7.170 -4.159 1.00 0.00 H new ATOM 0 HG SER A 50 13.606 -7.311 -6.069 1.00 0.00 H new ATOM 819 N ILE A 51 16.509 -8.623 -2.350 1.00 0.00 N ATOM 820 CA ILE A 51 17.047 -8.305 -1.038 1.00 0.00 C ATOM 821 C ILE A 51 18.474 -8.846 -0.932 1.00 0.00 C ATOM 822 O ILE A 51 19.377 -8.143 -0.481 1.00 0.00 O ATOM 823 CB ILE A 51 16.112 -8.814 0.061 1.00 0.00 C ATOM 824 CG1 ILE A 51 16.139 -7.884 1.276 1.00 0.00 C ATOM 825 CG2 ILE A 51 16.444 -10.259 0.438 1.00 0.00 C ATOM 826 CD1 ILE A 51 14.936 -8.139 2.187 1.00 0.00 C ATOM 0 H ILE A 51 15.711 -9.258 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 51 17.105 -7.225 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 51 15.093 -8.809 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.062 -8.037 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.135 -6.846 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 51 15.765 -10.596 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 51 16.334 -10.898 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.471 -10.314 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 51 14.979 -7.466 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 51 14.015 -7.962 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 51 14.956 -9.171 2.536 1.00 0.00 H new ATOM 838 N ARG A 52 18.633 -10.092 -1.354 1.00 0.00 N ATOM 839 CA ARG A 52 19.935 -10.736 -1.311 1.00 0.00 C ATOM 840 C ARG A 52 20.986 -9.853 -1.988 1.00 0.00 C ATOM 841 O ARG A 52 22.107 -9.729 -1.496 1.00 0.00 O ATOM 842 CB ARG A 52 19.899 -12.098 -2.007 1.00 0.00 C ATOM 843 CG ARG A 52 20.894 -13.068 -1.366 1.00 0.00 C ATOM 844 CD ARG A 52 22.310 -12.490 -1.382 1.00 0.00 C ATOM 845 NE ARG A 52 22.676 -12.085 -2.757 1.00 0.00 N ATOM 846 CZ ARG A 52 23.898 -12.238 -3.286 1.00 0.00 C ATOM 847 NH1 ARG A 52 24.879 -12.788 -2.557 1.00 0.00 N ATOM 848 NH2 ARG A 52 24.139 -11.841 -4.543 1.00 0.00 N ATOM 0 H ARG A 52 17.882 -10.673 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 52 20.198 -10.883 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 52 18.893 -12.513 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 52 20.134 -11.976 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 52 20.594 -13.277 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.879 -14.017 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.369 -11.631 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.018 -13.231 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 52 21.953 -11.663 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 52 24.695 -13.090 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 52 25.809 -12.905 -2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 52 23.392 -11.422 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 52 25.069 -11.958 -4.945 1.00 0.00 H new ATOM 862 N HIS A 53 20.587 -9.263 -3.105 1.00 0.00 N ATOM 863 CA HIS A 53 21.480 -8.396 -3.853 1.00 0.00 C ATOM 864 C HIS A 53 21.934 -7.237 -2.964 1.00 0.00 C ATOM 865 O HIS A 53 23.132 -7.008 -2.800 1.00 0.00 O ATOM 866 CB HIS A 53 20.820 -7.925 -5.151 1.00 0.00 C ATOM 867 CG HIS A 53 21.559 -6.806 -5.845 1.00 0.00 C ATOM 868 ND1 HIS A 53 21.421 -5.478 -5.482 1.00 0.00 N ATOM 869 CD2 HIS A 53 22.444 -6.833 -6.883 1.00 0.00 C ATOM 870 CE1 HIS A 53 22.192 -4.746 -6.273 1.00 0.00 C ATOM 871 NE2 HIS A 53 22.825 -5.588 -7.141 1.00 0.00 N ATOM 0 H HIS A 53 19.657 -9.369 -3.510 1.00 0.00 H new ATOM 0 HA HIS A 53 22.370 -8.952 -4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 53 20.739 -8.771 -5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.805 -7.595 -4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.778 -7.717 -7.406 1.00 0.00 H new ATOM 0 HE1 HIS A 53 22.300 -3.672 -6.237 1.00 0.00 H new ATOM 0 HE2 HIS A 53 23.483 -5.307 -7.868 1.00 0.00 H new ATOM 879 N ASN A 54 20.954 -6.536 -2.414 1.00 0.00 N ATOM 880 CA ASN A 54 21.237 -5.405 -1.546 1.00 0.00 C ATOM 881 C ASN A 54 21.822 -5.915 -0.227 1.00 0.00 C ATOM 882 O ASN A 54 22.332 -5.133 0.573 1.00 0.00 O ATOM 883 CB ASN A 54 19.962 -4.622 -1.227 1.00 0.00 C ATOM 884 CG ASN A 54 19.773 -3.461 -2.205 1.00 0.00 C ATOM 885 OD1 ASN A 54 18.939 -3.494 -3.095 1.00 0.00 O ATOM 886 ND2 ASN A 54 20.591 -2.435 -1.990 1.00 0.00 N ATOM 0 H ASN A 54 19.962 -6.729 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 54 21.941 -4.752 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 54 19.100 -5.288 -1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 54 20.011 -4.239 -0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.543 -1.610 -2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 54 21.266 -2.473 -1.227 1.00 0.00 H new ATOM 893 N LEU A 55 21.728 -7.224 -0.042 1.00 0.00 N ATOM 894 CA LEU A 55 22.241 -7.847 1.166 1.00 0.00 C ATOM 895 C LEU A 55 23.744 -8.089 1.011 1.00 0.00 C ATOM 896 O LEU A 55 24.544 -7.562 1.783 1.00 0.00 O ATOM 897 CB LEU A 55 21.446 -9.112 1.496 1.00 0.00 C ATOM 898 CG LEU A 55 20.766 -9.138 2.867 1.00 0.00 C ATOM 899 CD1 LEU A 55 19.871 -10.370 3.011 1.00 0.00 C ATOM 900 CD2 LEU A 55 21.799 -9.045 3.992 1.00 0.00 C ATOM 0 H LEU A 55 21.304 -7.870 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 55 22.110 -7.184 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 55 20.682 -9.247 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.118 -9.967 1.430 1.00 0.00 H new ATOM 0 HG LEU A 55 20.123 -8.262 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.400 -10.364 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 55 19.101 -10.353 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 55 20.473 -11.272 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.290 -9.065 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.486 -9.889 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.358 -8.114 3.897 1.00 0.00 H new ATOM 912 N SER A 56 24.083 -8.885 0.008 1.00 0.00 N ATOM 913 CA SER A 56 25.476 -9.203 -0.258 1.00 0.00 C ATOM 914 C SER A 56 26.175 -7.999 -0.891 1.00 0.00 C ATOM 915 O SER A 56 27.251 -7.599 -0.450 1.00 0.00 O ATOM 916 CB SER A 56 25.597 -10.427 -1.167 1.00 0.00 C ATOM 917 OG SER A 56 26.020 -10.075 -2.482 1.00 0.00 O ATOM 0 H SER A 56 23.417 -9.320 -0.631 1.00 0.00 H new ATOM 0 HA SER A 56 25.961 -9.439 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 56 26.307 -11.132 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 24.635 -10.936 -1.220 1.00 0.00 H new ATOM 0 HG SER A 56 26.532 -10.815 -2.870 1.00 0.00 H new ATOM 923 N LEU A 57 25.536 -7.455 -1.916 1.00 0.00 N ATOM 924 CA LEU A 57 26.083 -6.305 -2.615 1.00 0.00 C ATOM 925 C LEU A 57 25.810 -5.040 -1.799 1.00 0.00 C ATOM 926 O LEU A 57 24.923 -4.258 -2.138 1.00 0.00 O ATOM 927 CB LEU A 57 25.546 -6.242 -4.046 1.00 0.00 C ATOM 928 CG LEU A 57 26.588 -6.365 -5.160 1.00 0.00 C ATOM 929 CD1 LEU A 57 27.124 -7.794 -5.254 1.00 0.00 C ATOM 930 CD2 LEU A 57 26.024 -5.875 -6.495 1.00 0.00 C ATOM 0 H LEU A 57 24.644 -7.790 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 57 27.165 -6.396 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.812 -7.038 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 57 25.017 -5.297 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 57 27.431 -5.721 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 57 27.863 -7.854 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 57 27.590 -8.071 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 26.302 -8.478 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 57 26.785 -5.973 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 57 25.153 -6.473 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.732 -4.829 -6.404 1.00 0.00 H new ATOM 942 N ASN A 58 26.588 -4.879 -0.739 1.00 0.00 N ATOM 943 CA ASN A 58 26.440 -3.722 0.128 1.00 0.00 C ATOM 944 C ASN A 58 27.279 -3.926 1.391 1.00 0.00 C ATOM 945 O ASN A 58 28.179 -3.138 1.677 1.00 0.00 O ATOM 946 CB ASN A 58 24.983 -3.535 0.554 1.00 0.00 C ATOM 947 CG ASN A 58 24.264 -2.550 -0.369 1.00 0.00 C ATOM 948 OD1 ASN A 58 23.181 -2.806 -0.870 1.00 0.00 O ATOM 949 ND2 ASN A 58 24.924 -1.412 -0.566 1.00 0.00 N ATOM 0 H ASN A 58 27.322 -5.530 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 58 26.770 -2.842 -0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 58 24.469 -4.496 0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 58 24.944 -3.171 1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 58 24.527 -0.690 -1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 58 25.827 -1.262 -0.116 1.00 0.00 H new ATOM 956 N ASP A 59 26.955 -4.989 2.113 1.00 0.00 N ATOM 957 CA ASP A 59 27.668 -5.307 3.339 1.00 0.00 C ATOM 958 C ASP A 59 28.986 -6.002 2.991 1.00 0.00 C ATOM 959 O ASP A 59 30.057 -5.539 3.381 1.00 0.00 O ATOM 960 CB ASP A 59 26.852 -6.254 4.220 1.00 0.00 C ATOM 961 CG ASP A 59 25.546 -5.670 4.762 1.00 0.00 C ATOM 962 OD1 ASP A 59 25.334 -4.457 4.546 1.00 0.00 O ATOM 963 OD2 ASP A 59 24.788 -6.450 5.379 1.00 0.00 O ATOM 0 H ASP A 59 26.208 -5.641 1.873 1.00 0.00 H new ATOM 0 HA ASP A 59 27.845 -4.376 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 59 26.620 -7.151 3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 59 27.470 -6.565 5.062 1.00 0.00 H new ATOM 968 N CYS A 60 28.864 -7.101 2.262 1.00 0.00 N ATOM 969 CA CYS A 60 30.033 -7.864 1.858 1.00 0.00 C ATOM 970 C CYS A 60 30.334 -8.894 2.948 1.00 0.00 C ATOM 971 O CYS A 60 31.305 -8.752 3.690 1.00 0.00 O ATOM 972 CB CYS A 60 31.233 -6.957 1.582 1.00 0.00 C ATOM 973 SG CYS A 60 30.686 -5.439 0.718 1.00 0.00 S ATOM 0 H CYS A 60 27.974 -7.482 1.940 1.00 0.00 H new ATOM 0 HA CYS A 60 29.828 -8.379 0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 60 31.724 -6.695 2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 60 31.967 -7.486 0.975 1.00 0.00 H new ATOM 0 HG CYS A 60 30.387 -4.526 1.593 1.00 0.00 H new ATOM 979 N PHE A 61 29.485 -9.909 3.010 1.00 0.00 N ATOM 980 CA PHE A 61 29.648 -10.963 3.997 1.00 0.00 C ATOM 981 C PHE A 61 29.645 -12.341 3.333 1.00 0.00 C ATOM 982 O PHE A 61 29.750 -12.446 2.112 1.00 0.00 O ATOM 983 CB PHE A 61 28.458 -10.868 4.954 1.00 0.00 C ATOM 984 CG PHE A 61 27.126 -10.570 4.262 1.00 0.00 C ATOM 985 CD1 PHE A 61 26.610 -11.456 3.369 1.00 0.00 C ATOM 986 CD2 PHE A 61 26.458 -9.419 4.541 1.00 0.00 C ATOM 987 CE1 PHE A 61 25.374 -11.180 2.727 1.00 0.00 C ATOM 988 CE2 PHE A 61 25.222 -9.142 3.900 1.00 0.00 C ATOM 989 CZ PHE A 61 24.706 -10.028 3.007 1.00 0.00 C ATOM 0 H PHE A 61 28.681 -10.024 2.392 1.00 0.00 H new ATOM 0 HA PHE A 61 30.598 -10.842 4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 61 28.369 -11.806 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 61 28.657 -10.088 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 61 27.141 -12.370 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 61 26.868 -8.715 5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.964 -11.884 2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 61 24.692 -8.228 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.766 -9.817 2.520 1.00 0.00 H new ATOM 999 N VAL A 62 29.523 -13.364 4.166 1.00 0.00 N ATOM 1000 CA VAL A 62 29.505 -14.732 3.676 1.00 0.00 C ATOM 1001 C VAL A 62 28.176 -15.387 4.055 1.00 0.00 C ATOM 1002 O VAL A 62 27.681 -15.198 5.166 1.00 0.00 O ATOM 1003 CB VAL A 62 30.721 -15.494 4.206 1.00 0.00 C ATOM 1004 CG1 VAL A 62 32.019 -14.756 3.871 1.00 0.00 C ATOM 1005 CG2 VAL A 62 30.601 -15.739 5.711 1.00 0.00 C ATOM 0 H VAL A 62 29.436 -13.273 5.178 1.00 0.00 H new ATOM 0 HA VAL A 62 29.577 -14.749 2.589 1.00 0.00 H new ATOM 0 HB VAL A 62 30.751 -16.465 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 62 32.868 -15.319 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 62 32.113 -14.657 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 62 32.002 -13.765 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 62 31.478 -16.282 6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 62 30.534 -14.783 6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 29.705 -16.326 5.914 1.00 0.00 H new ATOM 1015 N LYS A 63 27.636 -16.145 3.112 1.00 0.00 N ATOM 1016 CA LYS A 63 26.374 -16.830 3.334 1.00 0.00 C ATOM 1017 C LYS A 63 26.569 -18.332 3.121 1.00 0.00 C ATOM 1018 O LYS A 63 27.674 -18.781 2.817 1.00 0.00 O ATOM 1019 CB LYS A 63 25.274 -16.223 2.461 1.00 0.00 C ATOM 1020 CG LYS A 63 25.471 -14.714 2.301 1.00 0.00 C ATOM 1021 CD LYS A 63 25.480 -14.316 0.824 1.00 0.00 C ATOM 1022 CE LYS A 63 26.909 -14.251 0.282 1.00 0.00 C ATOM 1023 NZ LYS A 63 27.531 -12.950 0.614 1.00 0.00 N ATOM 0 H LYS A 63 28.049 -16.300 2.192 1.00 0.00 H new ATOM 0 HA LYS A 63 26.043 -16.694 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.278 -16.700 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 63 24.300 -16.421 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 63 24.673 -14.182 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 63 26.409 -14.415 2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 63 24.901 -15.036 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.997 -13.347 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.502 -15.062 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.901 -14.392 -0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.782 -12.451 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.859 -12.373 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.389 -13.110 1.179 1.00 0.00 H new ATOM 1037 N ILE A 64 25.480 -19.068 3.288 1.00 0.00 N ATOM 1038 CA ILE A 64 25.518 -20.511 3.117 1.00 0.00 C ATOM 1039 C ILE A 64 24.557 -20.913 1.996 1.00 0.00 C ATOM 1040 O ILE A 64 23.353 -20.681 2.093 1.00 0.00 O ATOM 1041 CB ILE A 64 25.241 -21.215 4.447 1.00 0.00 C ATOM 1042 CG1 ILE A 64 26.374 -20.966 5.445 1.00 0.00 C ATOM 1043 CG2 ILE A 64 24.983 -22.708 4.233 1.00 0.00 C ATOM 1044 CD1 ILE A 64 27.574 -21.868 5.149 1.00 0.00 C ATOM 0 H ILE A 64 24.566 -18.692 3.540 1.00 0.00 H new ATOM 0 HA ILE A 64 26.514 -20.833 2.814 1.00 0.00 H new ATOM 0 HB ILE A 64 24.334 -20.790 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.680 -19.921 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.018 -21.150 6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 64 24.789 -23.185 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 64 24.119 -22.838 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 64 25.858 -23.166 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 64 28.365 -21.671 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 64 27.270 -22.912 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 64 27.943 -21.664 4.144 1.00 0.00 H new ATOM 1056 N PRO A 65 25.141 -21.525 0.931 1.00 0.00 N ATOM 1057 CA PRO A 65 24.350 -21.961 -0.207 1.00 0.00 C ATOM 1058 C PRO A 65 23.557 -23.226 0.130 1.00 0.00 C ATOM 1059 O PRO A 65 23.603 -23.710 1.260 1.00 0.00 O ATOM 1060 CB PRO A 65 25.355 -22.171 -1.328 1.00 0.00 C ATOM 1061 CG PRO A 65 26.711 -22.294 -0.653 1.00 0.00 C ATOM 1062 CD PRO A 65 26.564 -21.816 0.782 1.00 0.00 C ATOM 0 HA PRO A 65 23.595 -21.231 -0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 65 25.120 -23.069 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 65 25.341 -21.335 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 65 27.057 -23.327 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 65 27.455 -21.696 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 65 26.888 -22.580 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 65 27.171 -20.930 0.969 1.00 0.00 H new ATOM 1070 N ARG A 66 22.848 -23.725 -0.872 1.00 0.00 N ATOM 1071 CA ARG A 66 22.046 -24.924 -0.697 1.00 0.00 C ATOM 1072 C ARG A 66 22.757 -25.906 0.237 1.00 0.00 C ATOM 1073 O ARG A 66 23.589 -26.697 -0.205 1.00 0.00 O ATOM 1074 CB ARG A 66 21.779 -25.609 -2.039 1.00 0.00 C ATOM 1075 CG ARG A 66 20.506 -26.455 -1.978 1.00 0.00 C ATOM 1076 CD ARG A 66 20.802 -27.854 -1.434 1.00 0.00 C ATOM 1077 NE ARG A 66 20.167 -28.026 -0.108 1.00 0.00 N ATOM 1078 CZ ARG A 66 18.874 -28.330 0.072 1.00 0.00 C ATOM 1079 NH1 ARG A 66 18.071 -28.497 -0.988 1.00 0.00 N ATOM 1080 NH2 ARG A 66 18.384 -28.467 1.312 1.00 0.00 N ATOM 0 H ARG A 66 22.812 -23.321 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 66 21.094 -24.625 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 66 21.683 -24.857 -2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.627 -26.240 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.768 -25.963 -1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 66 20.069 -26.533 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.428 -28.609 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.879 -28.001 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 66 20.750 -27.906 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.444 -28.393 -1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.087 -28.728 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.995 -28.340 2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.400 -28.698 1.449 1.00 0.00 H new ATOM 1094 N GLU A 67 22.403 -25.824 1.511 1.00 0.00 N ATOM 1095 CA GLU A 67 22.997 -26.696 2.510 1.00 0.00 C ATOM 1096 C GLU A 67 21.984 -27.747 2.967 1.00 0.00 C ATOM 1097 O GLU A 67 20.799 -27.451 3.112 1.00 0.00 O ATOM 1098 CB GLU A 67 23.522 -25.888 3.699 1.00 0.00 C ATOM 1099 CG GLU A 67 24.025 -26.812 4.810 1.00 0.00 C ATOM 1100 CD GLU A 67 24.050 -26.088 6.157 1.00 0.00 C ATOM 1101 OE1 GLU A 67 23.017 -25.464 6.485 1.00 0.00 O ATOM 1102 OE2 GLU A 67 25.101 -26.173 6.829 1.00 0.00 O ATOM 0 H GLU A 67 21.712 -25.167 1.874 1.00 0.00 H new ATOM 0 HA GLU A 67 23.845 -27.210 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 67 24.330 -25.234 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.730 -25.246 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 67 23.382 -27.689 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 67 25.026 -27.168 4.566 1.00 0.00 H new ATOM 1109 N PRO A 68 22.500 -28.986 3.185 1.00 0.00 N ATOM 1110 CA PRO A 68 21.654 -30.084 3.621 1.00 0.00 C ATOM 1111 C PRO A 68 21.287 -29.939 5.100 1.00 0.00 C ATOM 1112 O PRO A 68 21.625 -30.796 5.914 1.00 0.00 O ATOM 1113 CB PRO A 68 22.458 -31.341 3.330 1.00 0.00 C ATOM 1114 CG PRO A 68 23.900 -30.886 3.175 1.00 0.00 C ATOM 1115 CD PRO A 68 23.899 -29.374 3.023 1.00 0.00 C ATOM 0 HA PRO A 68 20.697 -30.110 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 68 22.361 -32.063 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 68 22.103 -31.831 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 68 24.489 -31.182 4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 68 24.357 -31.357 2.305 1.00 0.00 H new ATOM 0 HD2 PRO A 68 24.531 -28.900 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 68 24.283 -29.074 2.048 1.00 0.00 H new ATOM 1123 N GLY A 69 20.599 -28.847 5.401 1.00 0.00 N ATOM 1124 CA GLY A 69 20.182 -28.578 6.767 1.00 0.00 C ATOM 1125 C GLY A 69 18.668 -28.735 6.919 1.00 0.00 C ATOM 1126 O GLY A 69 18.201 -29.544 7.719 1.00 0.00 O ATOM 0 H GLY A 69 20.320 -28.138 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 69 20.692 -29.260 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.476 -27.567 7.048 1.00 0.00 H new ATOM 1130 N ASN A 70 17.943 -27.948 6.138 1.00 0.00 N ATOM 1131 CA ASN A 70 16.491 -27.989 6.175 1.00 0.00 C ATOM 1132 C ASN A 70 15.946 -27.926 4.747 1.00 0.00 C ATOM 1133 O ASN A 70 16.212 -26.971 4.019 1.00 0.00 O ATOM 1134 CB ASN A 70 15.926 -26.796 6.949 1.00 0.00 C ATOM 1135 CG ASN A 70 16.969 -26.224 7.912 1.00 0.00 C ATOM 1136 OD1 ASN A 70 17.996 -25.634 7.308 1.00 0.00 O flip ATOM 1137 ND2 ASN A 70 16.848 -26.313 9.123 1.00 0.00 N flip ATOM 0 H ASN A 70 18.334 -27.278 5.476 1.00 0.00 H new ATOM 0 HA ASN A 70 16.193 -28.914 6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.608 -26.022 6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 70 15.042 -27.105 7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.033 -26.780 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 70 17.562 -25.921 9.737 1.00 0.00 H new ATOM 1144 N PRO A 71 15.174 -28.983 4.379 1.00 0.00 N ATOM 1145 CA PRO A 71 14.589 -29.057 3.051 1.00 0.00 C ATOM 1146 C PRO A 71 13.402 -28.101 2.920 1.00 0.00 C ATOM 1147 O PRO A 71 12.313 -28.386 3.416 1.00 0.00 O ATOM 1148 CB PRO A 71 14.199 -30.515 2.873 1.00 0.00 C ATOM 1149 CG PRO A 71 14.152 -31.108 4.272 1.00 0.00 C ATOM 1150 CD PRO A 71 14.838 -30.132 5.215 1.00 0.00 C ATOM 0 HA PRO A 71 15.282 -28.745 2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.231 -30.603 2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.924 -31.040 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.120 -31.276 4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.653 -32.076 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.180 -29.846 6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.730 -30.572 5.660 1.00 0.00 H new ATOM 1158 N GLY A 72 13.653 -26.986 2.250 1.00 0.00 N ATOM 1159 CA GLY A 72 12.618 -25.985 2.048 1.00 0.00 C ATOM 1160 C GLY A 72 13.223 -24.584 1.944 1.00 0.00 C ATOM 1161 O GLY A 72 13.586 -24.139 0.856 1.00 0.00 O ATOM 0 H GLY A 72 14.557 -26.753 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.060 -26.212 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.909 -26.018 2.875 1.00 0.00 H new ATOM 1165 N LYS A 73 13.314 -23.927 3.092 1.00 0.00 N ATOM 1166 CA LYS A 73 13.869 -22.585 3.144 1.00 0.00 C ATOM 1167 C LYS A 73 14.704 -22.432 4.417 1.00 0.00 C ATOM 1168 O LYS A 73 14.455 -21.537 5.223 1.00 0.00 O ATOM 1169 CB LYS A 73 12.759 -21.541 3.007 1.00 0.00 C ATOM 1170 CG LYS A 73 13.344 -20.134 2.870 1.00 0.00 C ATOM 1171 CD LYS A 73 13.332 -19.675 1.411 1.00 0.00 C ATOM 1172 CE LYS A 73 12.662 -18.307 1.272 1.00 0.00 C ATOM 1173 NZ LYS A 73 11.380 -18.429 0.542 1.00 0.00 N ATOM 0 H LYS A 73 13.013 -24.299 3.993 1.00 0.00 H new ATOM 0 HA LYS A 73 14.539 -22.417 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.145 -21.770 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.105 -21.584 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.769 -19.436 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.365 -20.122 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.353 -19.624 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.803 -20.407 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.486 -17.880 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.325 -17.623 0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.939 -17.491 0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.556 -18.816 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.743 -19.065 1.063 1.00 0.00 H new ATOM 1187 N GLY A 74 15.677 -23.320 4.558 1.00 0.00 N ATOM 1188 CA GLY A 74 16.550 -23.296 5.719 1.00 0.00 C ATOM 1189 C GLY A 74 18.019 -23.211 5.299 1.00 0.00 C ATOM 1190 O GLY A 74 18.576 -24.176 4.779 1.00 0.00 O ATOM 0 H GLY A 74 15.880 -24.061 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.299 -22.443 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.390 -24.193 6.317 1.00 0.00 H new ATOM 1194 N ASN A 75 18.604 -22.047 5.540 1.00 0.00 N ATOM 1195 CA ASN A 75 19.997 -21.823 5.193 1.00 0.00 C ATOM 1196 C ASN A 75 20.698 -21.110 6.351 1.00 0.00 C ATOM 1197 O ASN A 75 20.148 -21.008 7.446 1.00 0.00 O ATOM 1198 CB ASN A 75 20.120 -20.940 3.950 1.00 0.00 C ATOM 1199 CG ASN A 75 19.680 -19.506 4.250 1.00 0.00 C ATOM 1200 OD1 ASN A 75 18.707 -19.260 4.943 1.00 0.00 O ATOM 1201 ND2 ASN A 75 20.449 -18.576 3.691 1.00 0.00 N ATOM 0 H ASN A 75 18.138 -21.249 5.972 1.00 0.00 H new ATOM 0 HA ASN A 75 20.455 -22.792 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 75 21.152 -20.942 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 75 19.509 -21.351 3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 75 20.238 -17.588 3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 75 21.249 -18.851 3.122 1.00 0.00 H new ATOM 1208 N TYR A 76 21.902 -20.635 6.069 1.00 0.00 N ATOM 1209 CA TYR A 76 22.684 -19.934 7.073 1.00 0.00 C ATOM 1210 C TYR A 76 23.445 -18.759 6.454 1.00 0.00 C ATOM 1211 O TYR A 76 23.917 -18.848 5.322 1.00 0.00 O ATOM 1212 CB TYR A 76 23.692 -20.953 7.609 1.00 0.00 C ATOM 1213 CG TYR A 76 23.416 -21.405 9.044 1.00 0.00 C ATOM 1214 CD1 TYR A 76 23.352 -20.474 10.061 1.00 0.00 C ATOM 1215 CD2 TYR A 76 23.232 -22.744 9.323 1.00 0.00 C ATOM 1216 CE1 TYR A 76 23.092 -20.899 11.412 1.00 0.00 C ATOM 1217 CE2 TYR A 76 22.972 -23.170 10.674 1.00 0.00 C ATOM 1218 CZ TYR A 76 22.915 -22.226 11.652 1.00 0.00 C ATOM 1219 OH TYR A 76 22.670 -22.628 12.928 1.00 0.00 O ATOM 0 H TYR A 76 22.355 -20.722 5.159 1.00 0.00 H new ATOM 0 HA TYR A 76 22.037 -19.535 7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 76 23.691 -21.827 6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 76 24.691 -20.520 7.561 1.00 0.00 H new ATOM 0 HD1 TYR A 76 23.497 -19.426 9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 76 23.283 -23.473 8.528 1.00 0.00 H new ATOM 0 HE1 TYR A 76 23.039 -20.180 12.216 1.00 0.00 H new ATOM 0 HE2 TYR A 76 22.826 -24.215 10.905 1.00 0.00 H new ATOM 0 HH TYR A 76 22.564 -23.602 12.949 1.00 0.00 H new ATOM 1229 N TRP A 77 23.540 -17.686 7.225 1.00 0.00 N ATOM 1230 CA TRP A 77 24.236 -16.495 6.767 1.00 0.00 C ATOM 1231 C TRP A 77 25.205 -16.061 7.868 1.00 0.00 C ATOM 1232 O TRP A 77 24.902 -16.189 9.053 1.00 0.00 O ATOM 1233 CB TRP A 77 23.244 -15.398 6.376 1.00 0.00 C ATOM 1234 CG TRP A 77 22.677 -15.545 4.963 1.00 0.00 C ATOM 1235 CD1 TRP A 77 22.245 -16.661 4.360 1.00 0.00 C ATOM 1236 CD2 TRP A 77 22.496 -14.491 3.995 1.00 0.00 C ATOM 1237 NE1 TRP A 77 21.801 -16.404 3.079 1.00 0.00 N ATOM 1238 CE2 TRP A 77 21.959 -15.042 2.850 1.00 0.00 C ATOM 1239 CE3 TRP A 77 22.778 -13.116 4.083 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 21.656 -14.292 1.707 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 22.470 -12.380 2.932 1.00 0.00 C ATOM 1242 CH2 TRP A 77 21.928 -12.921 1.772 1.00 0.00 C ATOM 0 H TRP A 77 23.147 -17.616 8.164 1.00 0.00 H new ATOM 0 HA TRP A 77 24.808 -16.705 5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 77 22.419 -15.398 7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 77 23.738 -14.430 6.459 1.00 0.00 H new ATOM 0 HD1 TRP A 77 22.244 -17.639 4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 77 21.426 -17.087 2.421 1.00 0.00 H new ATOM 0 HE3 TRP A 77 23.199 -12.663 4.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 21.235 -14.747 0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 22.667 -11.318 2.947 1.00 0.00 H new ATOM 0 HH2 TRP A 77 21.718 -12.286 0.924 1.00 0.00 H new ATOM 1253 N THR A 78 26.352 -15.556 7.437 1.00 0.00 N ATOM 1254 CA THR A 78 27.368 -15.102 8.371 1.00 0.00 C ATOM 1255 C THR A 78 27.886 -13.720 7.966 1.00 0.00 C ATOM 1256 O THR A 78 28.277 -13.512 6.819 1.00 0.00 O ATOM 1257 CB THR A 78 28.464 -16.167 8.432 1.00 0.00 C ATOM 1258 OG1 THR A 78 27.832 -17.280 9.060 1.00 0.00 O ATOM 1259 CG2 THR A 78 29.594 -15.791 9.393 1.00 0.00 C ATOM 0 H THR A 78 26.600 -15.451 6.453 1.00 0.00 H new ATOM 0 HA THR A 78 26.957 -14.980 9.373 1.00 0.00 H new ATOM 0 HB THR A 78 28.873 -16.324 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 78 28.472 -18.018 9.138 1.00 0.00 H new ATOM 0 HG21 THR A 78 30.345 -16.581 9.398 1.00 0.00 H new ATOM 0 HG22 THR A 78 30.052 -14.857 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 78 29.191 -15.667 10.398 1.00 0.00 H new ATOM 1267 N LEU A 79 27.870 -12.812 8.930 1.00 0.00 N ATOM 1268 CA LEU A 79 28.334 -11.456 8.689 1.00 0.00 C ATOM 1269 C LEU A 79 29.547 -11.170 9.576 1.00 0.00 C ATOM 1270 O LEU A 79 29.715 -11.794 10.623 1.00 0.00 O ATOM 1271 CB LEU A 79 27.189 -10.458 8.872 1.00 0.00 C ATOM 1272 CG LEU A 79 27.364 -9.102 8.186 1.00 0.00 C ATOM 1273 CD1 LEU A 79 26.036 -8.600 7.616 1.00 0.00 C ATOM 1274 CD2 LEU A 79 28.001 -8.085 9.135 1.00 0.00 C ATOM 0 H LEU A 79 27.543 -12.988 9.880 1.00 0.00 H new ATOM 0 HA LEU A 79 28.662 -11.344 7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 79 26.272 -10.915 8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 79 27.050 -10.287 9.939 1.00 0.00 H new ATOM 0 HG LEU A 79 28.047 -9.230 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 79 26.189 -7.634 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 79 25.660 -9.315 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 79 25.311 -8.492 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 79 28.114 -7.130 8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 79 27.363 -7.954 10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 79 28.980 -8.445 9.451 1.00 0.00 H new ATOM 1286 N ASP A 80 30.360 -10.227 9.125 1.00 0.00 N ATOM 1287 CA ASP A 80 31.553 -9.851 9.866 1.00 0.00 C ATOM 1288 C ASP A 80 31.148 -9.050 11.105 1.00 0.00 C ATOM 1289 O ASP A 80 30.150 -8.331 11.084 1.00 0.00 O ATOM 1290 CB ASP A 80 32.475 -8.973 9.016 1.00 0.00 C ATOM 1291 CG ASP A 80 33.920 -9.464 8.914 1.00 0.00 C ATOM 1292 OD1 ASP A 80 34.095 -10.639 8.525 1.00 0.00 O ATOM 1293 OD2 ASP A 80 34.818 -8.652 9.227 1.00 0.00 O ATOM 0 H ASP A 80 30.217 -9.712 8.256 1.00 0.00 H new ATOM 0 HA ASP A 80 32.079 -10.764 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 80 32.059 -8.902 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 80 32.478 -7.965 9.432 1.00 0.00 H new ATOM 1298 N PRO A 81 31.963 -9.205 12.182 1.00 0.00 N ATOM 1299 CA PRO A 81 31.700 -8.505 13.427 1.00 0.00 C ATOM 1300 C PRO A 81 32.073 -7.026 13.314 1.00 0.00 C ATOM 1301 O PRO A 81 33.142 -6.616 13.764 1.00 0.00 O ATOM 1302 CB PRO A 81 32.515 -9.245 14.475 1.00 0.00 C ATOM 1303 CG PRO A 81 33.561 -10.037 13.706 1.00 0.00 C ATOM 1304 CD PRO A 81 33.154 -10.049 12.242 1.00 0.00 C ATOM 0 HA PRO A 81 30.643 -8.503 13.693 1.00 0.00 H new ATOM 0 HB2 PRO A 81 32.985 -8.548 15.169 1.00 0.00 H new ATOM 0 HB3 PRO A 81 31.882 -9.906 15.067 1.00 0.00 H new ATOM 0 HG2 PRO A 81 34.546 -9.585 13.825 1.00 0.00 H new ATOM 0 HG3 PRO A 81 33.629 -11.054 14.092 1.00 0.00 H new ATOM 0 HD2 PRO A 81 33.949 -9.658 11.607 1.00 0.00 H new ATOM 0 HD3 PRO A 81 32.940 -11.061 11.899 1.00 0.00 H new ATOM 1312 N GLN A 82 31.172 -6.265 12.711 1.00 0.00 N ATOM 1313 CA GLN A 82 31.394 -4.840 12.533 1.00 0.00 C ATOM 1314 C GLN A 82 30.328 -4.248 11.608 1.00 0.00 C ATOM 1315 O GLN A 82 30.632 -3.409 10.762 1.00 0.00 O ATOM 1316 CB GLN A 82 32.800 -4.567 11.995 1.00 0.00 C ATOM 1317 CG GLN A 82 33.618 -3.744 12.992 1.00 0.00 C ATOM 1318 CD GLN A 82 34.714 -2.950 12.279 1.00 0.00 C ATOM 1319 OE1 GLN A 82 34.459 -2.135 11.408 1.00 0.00 O ATOM 1320 NE2 GLN A 82 35.945 -3.234 12.696 1.00 0.00 N ATOM 0 H GLN A 82 30.286 -6.608 12.339 1.00 0.00 H new ATOM 0 HA GLN A 82 31.313 -4.355 13.506 1.00 0.00 H new ATOM 0 HB2 GLN A 82 33.307 -5.511 11.795 1.00 0.00 H new ATOM 0 HB3 GLN A 82 32.733 -4.034 11.046 1.00 0.00 H new ATOM 0 HG2 GLN A 82 32.961 -3.061 13.531 1.00 0.00 H new ATOM 0 HG3 GLN A 82 34.067 -4.405 13.733 1.00 0.00 H new ATOM 0 HE21 GLN A 82 36.087 -3.928 13.430 1.00 0.00 H new ATOM 0 HE22 GLN A 82 36.746 -2.758 12.282 1.00 0.00 H new ATOM 1329 N SER A 83 29.101 -4.710 11.801 1.00 0.00 N ATOM 1330 CA SER A 83 27.989 -4.237 10.994 1.00 0.00 C ATOM 1331 C SER A 83 27.584 -2.828 11.435 1.00 0.00 C ATOM 1332 O SER A 83 27.593 -1.896 10.632 1.00 0.00 O ATOM 1333 CB SER A 83 26.794 -5.187 11.092 1.00 0.00 C ATOM 1334 OG SER A 83 26.096 -5.041 12.326 1.00 0.00 O ATOM 0 H SER A 83 28.853 -5.406 12.504 1.00 0.00 H new ATOM 0 HA SER A 83 28.311 -4.207 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.111 -4.997 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 83 27.139 -6.216 10.990 1.00 0.00 H new ATOM 0 HG SER A 83 25.442 -5.765 12.420 1.00 0.00 H new ATOM 1340 N GLU A 84 27.240 -2.718 12.710 1.00 0.00 N ATOM 1341 CA GLU A 84 26.833 -1.439 13.267 1.00 0.00 C ATOM 1342 C GLU A 84 27.838 -0.350 12.885 1.00 0.00 C ATOM 1343 O GLU A 84 27.471 0.815 12.739 1.00 0.00 O ATOM 1344 CB GLU A 84 26.672 -1.529 14.786 1.00 0.00 C ATOM 1345 CG GLU A 84 27.958 -2.032 15.444 1.00 0.00 C ATOM 1346 CD GLU A 84 27.903 -3.545 15.669 1.00 0.00 C ATOM 1347 OE1 GLU A 84 27.578 -4.253 14.691 1.00 0.00 O ATOM 1348 OE2 GLU A 84 28.187 -3.959 16.813 1.00 0.00 O ATOM 0 H GLU A 84 27.235 -3.493 13.373 1.00 0.00 H new ATOM 0 HA GLU A 84 25.863 -1.174 12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 84 26.413 -0.549 15.187 1.00 0.00 H new ATOM 0 HB3 GLU A 84 25.848 -2.200 15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 84 28.813 -1.785 14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 84 28.106 -1.524 16.397 1.00 0.00 H new ATOM 1355 N ASP A 85 29.086 -0.768 12.734 1.00 0.00 N ATOM 1356 CA ASP A 85 30.146 0.157 12.372 1.00 0.00 C ATOM 1357 C ASP A 85 30.053 0.474 10.878 1.00 0.00 C ATOM 1358 O ASP A 85 30.222 1.622 10.471 1.00 0.00 O ATOM 1359 CB ASP A 85 31.524 -0.451 12.641 1.00 0.00 C ATOM 1360 CG ASP A 85 32.452 0.406 13.503 1.00 0.00 C ATOM 1361 OD1 ASP A 85 32.037 0.728 14.637 1.00 0.00 O ATOM 1362 OD2 ASP A 85 33.556 0.721 13.008 1.00 0.00 O ATOM 0 H ASP A 85 29.387 -1.735 12.856 1.00 0.00 H new ATOM 0 HA ASP A 85 30.026 1.058 12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 85 31.389 -1.417 13.128 1.00 0.00 H new ATOM 0 HB3 ASP A 85 32.013 -0.641 11.686 1.00 0.00 H new ATOM 1367 N MET A 86 29.784 -0.565 10.101 1.00 0.00 N ATOM 1368 CA MET A 86 29.666 -0.412 8.661 1.00 0.00 C ATOM 1369 C MET A 86 28.561 0.584 8.304 1.00 0.00 C ATOM 1370 O MET A 86 28.762 1.466 7.469 1.00 0.00 O ATOM 1371 CB MET A 86 29.354 -1.769 8.027 1.00 0.00 C ATOM 1372 CG MET A 86 28.845 -1.601 6.594 1.00 0.00 C ATOM 1373 SD MET A 86 27.061 -1.670 6.567 1.00 0.00 S ATOM 1374 CE MET A 86 26.809 -3.361 7.080 1.00 0.00 C ATOM 0 H MET A 86 29.644 -1.516 10.442 1.00 0.00 H new ATOM 0 HA MET A 86 30.612 -0.030 8.277 1.00 0.00 H new ATOM 0 HB2 MET A 86 30.250 -2.389 8.028 1.00 0.00 H new ATOM 0 HB3 MET A 86 28.605 -2.290 8.624 1.00 0.00 H new ATOM 0 HG2 MET A 86 29.186 -0.649 6.187 1.00 0.00 H new ATOM 0 HG3 MET A 86 29.257 -2.385 5.959 1.00 0.00 H new ATOM 0 HE1 MET A 86 25.864 -3.726 6.678 1.00 0.00 H new ATOM 0 HE2 MET A 86 27.625 -3.980 6.707 1.00 0.00 H new ATOM 0 HE3 MET A 86 26.784 -3.411 8.169 1.00 0.00 H new ATOM 1384 N PHE A 87 27.420 0.412 8.953 1.00 0.00 N ATOM 1385 CA PHE A 87 26.283 1.285 8.715 1.00 0.00 C ATOM 1386 C PHE A 87 26.506 2.660 9.347 1.00 0.00 C ATOM 1387 O PHE A 87 26.273 3.686 8.710 1.00 0.00 O ATOM 1388 CB PHE A 87 25.068 0.626 9.371 1.00 0.00 C ATOM 1389 CG PHE A 87 24.634 -0.681 8.705 1.00 0.00 C ATOM 1390 CD1 PHE A 87 24.169 -0.672 7.427 1.00 0.00 C ATOM 1391 CD2 PHE A 87 24.713 -1.852 9.391 1.00 0.00 C ATOM 1392 CE1 PHE A 87 23.767 -1.886 6.809 1.00 0.00 C ATOM 1393 CE2 PHE A 87 24.310 -3.066 8.774 1.00 0.00 C ATOM 1394 CZ PHE A 87 23.845 -3.057 7.496 1.00 0.00 C ATOM 0 H PHE A 87 27.258 -0.320 9.645 1.00 0.00 H new ATOM 0 HA PHE A 87 26.140 1.426 7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 87 25.295 0.430 10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 87 24.233 1.326 9.352 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.105 0.258 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 87 25.082 -1.859 10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.399 -1.879 5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 87 24.373 -3.996 9.319 1.00 0.00 H new ATOM 0 HZ PHE A 87 23.538 -3.980 7.027 1.00 0.00 H new