USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot -96:sc= 1.68 USER MOD Set 1.2: A 71 TYR OH : rot -159:sc= 0.117 USER MOD Set 2.1: A 23 THR OG1 : rot 133:sc= -1.41! USER MOD Set 2.2: A 25 ASN : amide:sc= -0.412 K(o=-1.8,f=-4.3!) USER MOD Single : A 1 SER N :NH3+ -129:sc= 0.153 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 8 LYS NZ :NH3+ 139:sc= -0.449 (180deg=-2.23!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.9) USER MOD Single : A 14 GLN : amide:sc= -9.79! C(o=-9.8!,f=-20!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.39) USER MOD Single : A 24 ASN : amide:sc= -0.652 K(o=-0.65,f=-4.3!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 139:sc= -1.15 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -160:sc= -2.72! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.221 F(o=-0.83,f=-0.22) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.981 F(o=-2!,f=-0.98) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -1.5 F(o=-2.8,f=-1.5) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.527 F(o=-1.3,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.220 -8.395 -11.470 1.00 0.00 N ATOM 2 CA SER A 1 -2.095 -9.711 -10.869 1.00 0.00 C ATOM 3 C SER A 1 -3.098 -9.861 -9.724 1.00 0.00 C ATOM 4 O SER A 1 -3.895 -8.960 -9.469 1.00 0.00 O ATOM 5 CB SER A 1 -0.671 -9.952 -10.363 1.00 0.00 C ATOM 6 OG SER A 1 0.260 -10.092 -11.433 1.00 0.00 O ATOM 0 H1 SER A 1 -2.317 -8.492 -12.501 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.060 -7.917 -11.086 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.372 -7.833 -11.254 1.00 0.00 H new ATOM 0 HA SER A 1 -2.312 -10.458 -11.633 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.368 -9.122 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.653 -10.851 -9.747 1.00 0.00 H new ATOM 0 HG SER A 1 1.157 -10.243 -11.068 1.00 0.00 H new ATOM 12 N THR A 2 -3.026 -11.008 -9.063 1.00 0.00 N ATOM 13 CA THR A 2 -3.918 -11.287 -7.950 1.00 0.00 C ATOM 14 C THR A 2 -3.290 -10.823 -6.634 1.00 0.00 C ATOM 15 O THR A 2 -3.525 -11.422 -5.586 1.00 0.00 O ATOM 16 CB THR A 2 -4.247 -12.781 -7.973 1.00 0.00 C ATOM 17 OG1 THR A 2 -3.014 -13.404 -8.323 1.00 0.00 O ATOM 18 CG2 THR A 2 -5.192 -13.155 -9.117 1.00 0.00 C ATOM 0 H THR A 2 -2.364 -11.754 -9.277 1.00 0.00 H new ATOM 0 HA THR A 2 -4.851 -10.732 -8.041 1.00 0.00 H new ATOM 0 HB THR A 2 -4.697 -13.068 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.137 -14.376 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.393 -14.226 -9.088 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.128 -12.607 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.729 -12.899 -10.070 1.00 0.00 H new ATOM 26 N ILE A 3 -2.505 -9.761 -6.732 1.00 0.00 N ATOM 27 CA ILE A 3 -1.842 -9.209 -5.562 1.00 0.00 C ATOM 28 C ILE A 3 -2.264 -7.750 -5.383 1.00 0.00 C ATOM 29 O ILE A 3 -2.527 -7.308 -4.266 1.00 0.00 O ATOM 30 CB ILE A 3 -0.328 -9.405 -5.663 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.259 -9.840 -4.319 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.352 -8.146 -6.205 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.628 -8.627 -3.463 1.00 0.00 C ATOM 0 H ILE A 3 -2.313 -9.267 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.149 -9.742 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.134 -10.208 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.463 -10.459 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.144 -10.454 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.428 -8.311 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.038 -7.920 -7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.152 -7.308 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.043 -8.965 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.368 -8.023 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.264 -8.028 -3.277 1.00 0.00 H new ATOM 45 N GLU A 4 -2.314 -7.040 -6.501 1.00 0.00 N ATOM 46 CA GLU A 4 -2.699 -5.639 -6.482 1.00 0.00 C ATOM 47 C GLU A 4 -4.181 -5.501 -6.128 1.00 0.00 C ATOM 48 O GLU A 4 -4.537 -4.763 -5.210 1.00 0.00 O ATOM 49 CB GLU A 4 -2.391 -4.967 -7.822 1.00 0.00 C ATOM 50 CG GLU A 4 -3.405 -3.864 -8.128 1.00 0.00 C ATOM 51 CD GLU A 4 -2.976 -3.049 -9.350 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.126 -2.153 -9.231 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.558 -3.374 -10.454 1.00 0.00 O ATOM 0 H GLU A 4 -2.094 -7.409 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.113 -5.132 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.386 -4.546 -7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.407 -5.711 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.385 -4.306 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.504 -3.206 -7.264 1.00 0.00 H new ATOM 61 N GLU A 5 -5.005 -6.222 -6.873 1.00 0.00 N ATOM 62 CA GLU A 5 -6.440 -6.189 -6.649 1.00 0.00 C ATOM 63 C GLU A 5 -6.744 -6.225 -5.150 1.00 0.00 C ATOM 64 O GLU A 5 -7.770 -5.709 -4.709 1.00 0.00 O ATOM 65 CB GLU A 5 -7.136 -7.341 -7.378 1.00 0.00 C ATOM 66 CG GLU A 5 -6.326 -8.633 -7.259 1.00 0.00 C ATOM 67 CD GLU A 5 -7.182 -9.851 -7.610 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.564 -10.025 -8.777 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.449 -10.634 -6.620 1.00 0.00 O ATOM 0 H GLU A 5 -4.706 -6.833 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.830 -5.257 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.132 -7.492 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.267 -7.085 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.463 -8.587 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.943 -8.734 -6.244 1.00 0.00 H new ATOM 77 N ARG A 6 -5.834 -6.839 -4.409 1.00 0.00 N ATOM 78 CA ARG A 6 -5.993 -6.949 -2.969 1.00 0.00 C ATOM 79 C ARG A 6 -5.293 -5.783 -2.267 1.00 0.00 C ATOM 80 O ARG A 6 -5.893 -5.104 -1.436 1.00 0.00 O ATOM 81 CB ARG A 6 -5.416 -8.268 -2.450 1.00 0.00 C ATOM 82 CG ARG A 6 -6.264 -9.456 -2.909 1.00 0.00 C ATOM 83 CD ARG A 6 -5.380 -10.593 -3.426 1.00 0.00 C ATOM 84 NE ARG A 6 -4.569 -11.147 -2.319 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.076 -11.875 -1.301 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.397 -12.143 -1.241 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.259 -12.321 -0.365 1.00 0.00 N ATOM 0 H ARG A 6 -4.984 -7.265 -4.778 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.060 -6.921 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.393 -8.387 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.373 -8.247 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.875 -9.813 -2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.949 -9.137 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.999 -11.377 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.727 -10.226 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.565 -10.968 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.022 -11.795 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.771 -12.694 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.262 -12.114 -0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.625 -12.872 0.411 1.00 0.00 H new ATOM 100 N VAL A 7 -4.033 -5.587 -2.629 1.00 0.00 N ATOM 101 CA VAL A 7 -3.245 -4.515 -2.044 1.00 0.00 C ATOM 102 C VAL A 7 -4.096 -3.247 -1.966 1.00 0.00 C ATOM 103 O VAL A 7 -4.005 -2.492 -0.999 1.00 0.00 O ATOM 104 CB VAL A 7 -1.954 -4.321 -2.842 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.372 -2.925 -2.611 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.930 -5.405 -2.500 1.00 0.00 C ATOM 0 H VAL A 7 -3.539 -6.152 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.948 -4.770 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.197 -4.412 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.455 -2.813 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.095 -2.173 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.151 -2.794 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.022 -5.244 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.694 -5.360 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.344 -6.385 -2.738 1.00 0.00 H new ATOM 116 N LYS A 8 -4.905 -3.050 -2.997 1.00 0.00 N ATOM 117 CA LYS A 8 -5.772 -1.886 -3.058 1.00 0.00 C ATOM 118 C LYS A 8 -6.559 -1.774 -1.751 1.00 0.00 C ATOM 119 O LYS A 8 -6.692 -0.685 -1.193 1.00 0.00 O ATOM 120 CB LYS A 8 -6.655 -1.940 -4.306 1.00 0.00 C ATOM 121 CG LYS A 8 -6.206 -0.907 -5.341 1.00 0.00 C ATOM 122 CD LYS A 8 -5.219 -1.521 -6.336 1.00 0.00 C ATOM 123 CE LYS A 8 -5.876 -1.728 -7.702 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.178 -0.934 -8.738 1.00 0.00 N ATOM 0 H LYS A 8 -4.978 -3.678 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.181 -0.975 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.614 -2.938 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.693 -1.755 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.074 -0.521 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.740 -0.060 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.351 -0.871 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.858 -2.476 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.852 -2.785 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.925 -1.435 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.090 -1.498 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.722 -0.071 -8.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.231 -0.674 -8.397 1.00 0.00 H new ATOM 137 N LYS A 9 -7.061 -2.914 -1.300 1.00 0.00 N ATOM 138 CA LYS A 9 -7.832 -2.957 -0.069 1.00 0.00 C ATOM 139 C LYS A 9 -6.986 -2.399 1.077 1.00 0.00 C ATOM 140 O LYS A 9 -7.426 -1.506 1.800 1.00 0.00 O ATOM 141 CB LYS A 9 -8.356 -4.372 0.186 1.00 0.00 C ATOM 142 CG LYS A 9 -9.584 -4.665 -0.678 1.00 0.00 C ATOM 143 CD LYS A 9 -10.646 -5.426 0.119 1.00 0.00 C ATOM 144 CE LYS A 9 -11.974 -5.469 -0.639 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.785 -6.627 -0.200 1.00 0.00 N ATOM 0 H LYS A 9 -6.949 -3.815 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.716 -2.325 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.573 -5.098 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.613 -4.484 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.003 -3.730 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.289 -5.250 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.301 -6.442 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.791 -4.947 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.527 -4.545 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.786 -5.535 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.683 -6.641 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.262 -7.507 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.980 -6.548 0.818 1.00 0.00 H new ATOM 158 N ILE A 10 -5.788 -2.948 1.208 1.00 0.00 N ATOM 159 CA ILE A 10 -4.877 -2.516 2.254 1.00 0.00 C ATOM 160 C ILE A 10 -4.838 -0.987 2.291 1.00 0.00 C ATOM 161 O ILE A 10 -5.026 -0.384 3.347 1.00 0.00 O ATOM 162 CB ILE A 10 -3.502 -3.162 2.068 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.561 -4.666 2.344 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.447 -2.462 2.926 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.396 -5.393 1.669 1.00 0.00 C ATOM 0 H ILE A 10 -5.427 -3.689 0.607 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.231 -2.850 3.229 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.204 -3.038 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.531 -4.844 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.506 -5.069 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.479 -2.941 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.382 -1.413 2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.727 -2.533 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.461 -6.460 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.443 -5.233 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.453 -5.004 2.053 1.00 0.00 H new ATOM 177 N ILE A 11 -4.593 -0.405 1.127 1.00 0.00 N ATOM 178 CA ILE A 11 -4.527 1.042 1.013 1.00 0.00 C ATOM 179 C ILE A 11 -5.937 1.623 1.131 1.00 0.00 C ATOM 180 O ILE A 11 -6.109 2.763 1.561 1.00 0.00 O ATOM 181 CB ILE A 11 -3.800 1.446 -0.271 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.470 0.703 -0.406 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.620 2.964 -0.345 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.427 1.267 0.562 1.00 0.00 C ATOM 0 H ILE A 11 -4.438 -0.909 0.254 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.940 1.462 1.829 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.418 1.154 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.620 -0.358 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.105 0.787 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.101 3.224 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.597 3.447 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.034 3.303 0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.490 0.721 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.262 2.322 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.785 1.159 1.586 1.00 0.00 H new ATOM 196 N GLY A 12 -6.911 0.814 0.740 1.00 0.00 N ATOM 197 CA GLY A 12 -8.301 1.234 0.796 1.00 0.00 C ATOM 198 C GLY A 12 -8.798 1.291 2.242 1.00 0.00 C ATOM 199 O GLY A 12 -9.732 2.029 2.552 1.00 0.00 O ATOM 0 H GLY A 12 -6.765 -0.130 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.407 2.215 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.917 0.542 0.223 1.00 0.00 H new ATOM 203 N GLN A 13 -8.152 0.502 3.088 1.00 0.00 N ATOM 204 CA GLN A 13 -8.517 0.454 4.494 1.00 0.00 C ATOM 205 C GLN A 13 -7.485 1.207 5.336 1.00 0.00 C ATOM 206 O GLN A 13 -7.828 2.152 6.045 1.00 0.00 O ATOM 207 CB GLN A 13 -8.666 -0.992 4.972 1.00 0.00 C ATOM 208 CG GLN A 13 -10.140 -1.359 5.155 1.00 0.00 C ATOM 209 CD GLN A 13 -10.830 -0.394 6.122 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.513 0.537 5.728 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.614 -0.668 7.405 1.00 0.00 N ATOM 0 H GLN A 13 -7.378 -0.109 2.827 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.483 0.944 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.206 -1.667 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.135 -1.124 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.646 -1.336 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.220 -2.378 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.031 -1.464 7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.031 -0.083 8.129 1.00 0.00 H new ATOM 220 N GLN A 14 -6.243 0.760 5.231 1.00 0.00 N ATOM 221 CA GLN A 14 -5.159 1.379 5.974 1.00 0.00 C ATOM 222 C GLN A 14 -5.311 2.902 5.966 1.00 0.00 C ATOM 223 O GLN A 14 -5.520 3.514 7.012 1.00 0.00 O ATOM 224 CB GLN A 14 -3.799 0.962 5.412 1.00 0.00 C ATOM 225 CG GLN A 14 -3.493 -0.500 5.746 1.00 0.00 C ATOM 226 CD GLN A 14 -3.565 -0.744 7.254 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.598 -0.589 7.982 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.762 -1.134 7.682 1.00 0.00 N ATOM 0 H GLN A 14 -5.963 -0.024 4.642 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.210 1.033 7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.790 1.101 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.019 1.604 5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.203 -1.150 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.500 -0.761 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.530 -1.244 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.913 -1.323 8.673 1.00 0.00 H new ATOM 237 N LEU A 15 -5.202 3.469 4.773 1.00 0.00 N ATOM 238 CA LEU A 15 -5.325 4.908 4.614 1.00 0.00 C ATOM 239 C LEU A 15 -6.735 5.342 5.020 1.00 0.00 C ATOM 240 O LEU A 15 -6.898 6.251 5.833 1.00 0.00 O ATOM 241 CB LEU A 15 -4.938 5.325 3.194 1.00 0.00 C ATOM 242 CG LEU A 15 -3.673 4.680 2.626 1.00 0.00 C ATOM 243 CD1 LEU A 15 -2.920 5.654 1.719 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.784 4.137 3.748 1.00 0.00 C ATOM 0 H LEU A 15 -5.030 2.958 3.907 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.629 5.426 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.770 5.093 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.809 6.407 3.177 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.969 3.831 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.025 5.170 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.563 5.950 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.635 6.537 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.891 3.683 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.494 4.953 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.334 3.387 4.317 1.00 0.00 H new ATOM 256 N GLY A 16 -7.717 4.672 4.436 1.00 0.00 N ATOM 257 CA GLY A 16 -9.108 4.978 4.727 1.00 0.00 C ATOM 258 C GLY A 16 -9.766 5.706 3.554 1.00 0.00 C ATOM 259 O GLY A 16 -9.967 6.918 3.604 1.00 0.00 O ATOM 0 H GLY A 16 -7.578 3.918 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.650 4.056 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.168 5.596 5.623 1.00 0.00 H new ATOM 263 N VAL A 17 -10.085 4.935 2.524 1.00 0.00 N ATOM 264 CA VAL A 17 -10.717 5.491 1.340 1.00 0.00 C ATOM 265 C VAL A 17 -11.508 4.393 0.626 1.00 0.00 C ATOM 266 O VAL A 17 -11.546 3.252 1.085 1.00 0.00 O ATOM 267 CB VAL A 17 -9.664 6.147 0.445 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.113 7.421 1.090 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.536 5.167 0.115 1.00 0.00 C ATOM 0 H VAL A 17 -9.917 3.930 2.485 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.424 6.274 1.616 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.148 6.427 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.366 7.868 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.926 8.129 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.653 7.175 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.801 5.659 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.056 4.841 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.946 4.302 -0.406 1.00 0.00 H new ATOM 279 N LYS A 18 -12.120 4.776 -0.485 1.00 0.00 N ATOM 280 CA LYS A 18 -12.908 3.838 -1.266 1.00 0.00 C ATOM 281 C LYS A 18 -11.969 2.905 -2.034 1.00 0.00 C ATOM 282 O LYS A 18 -10.751 3.076 -1.996 1.00 0.00 O ATOM 283 CB LYS A 18 -13.898 4.586 -2.162 1.00 0.00 C ATOM 284 CG LYS A 18 -15.069 5.135 -1.345 1.00 0.00 C ATOM 285 CD LYS A 18 -14.716 6.486 -0.719 1.00 0.00 C ATOM 286 CE LYS A 18 -15.823 7.512 -0.969 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.435 7.936 0.311 1.00 0.00 N ATOM 0 H LYS A 18 -12.086 5.723 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.515 3.213 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.388 5.405 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.272 3.916 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.944 5.245 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.335 4.425 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.563 6.365 0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.777 6.850 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.413 8.379 -1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.585 7.082 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.184 8.632 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.843 7.109 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.708 8.365 0.918 1.00 0.00 H new ATOM 300 N GLN A 19 -12.571 1.938 -2.711 1.00 0.00 N ATOM 301 CA GLN A 19 -11.804 0.978 -3.485 1.00 0.00 C ATOM 302 C GLN A 19 -11.739 1.409 -4.952 1.00 0.00 C ATOM 303 O GLN A 19 -11.040 0.792 -5.754 1.00 0.00 O ATOM 304 CB GLN A 19 -12.392 -0.428 -3.353 1.00 0.00 C ATOM 305 CG GLN A 19 -13.691 -0.557 -4.151 1.00 0.00 C ATOM 306 CD GLN A 19 -14.745 -1.336 -3.362 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.974 -1.105 -2.187 1.00 0.00 O ATOM 308 NE2 GLN A 19 -15.370 -2.271 -4.072 1.00 0.00 N ATOM 0 H GLN A 19 -13.581 1.799 -2.739 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.789 0.951 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.669 -1.163 -3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.583 -0.649 -2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.073 0.435 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.492 -1.062 -5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.129 -2.412 -5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.090 -2.847 -3.635 1.00 0.00 H new ATOM 317 N GLU A 20 -12.477 2.466 -5.258 1.00 0.00 N ATOM 318 CA GLU A 20 -12.512 2.987 -6.614 1.00 0.00 C ATOM 319 C GLU A 20 -11.472 4.097 -6.783 1.00 0.00 C ATOM 320 O GLU A 20 -10.763 4.140 -7.787 1.00 0.00 O ATOM 321 CB GLU A 20 -13.912 3.489 -6.972 1.00 0.00 C ATOM 322 CG GLU A 20 -14.352 2.959 -8.338 1.00 0.00 C ATOM 323 CD GLU A 20 -15.642 2.145 -8.220 1.00 0.00 C ATOM 324 OE1 GLU A 20 -15.969 1.654 -7.130 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.317 2.032 -9.314 1.00 0.00 O ATOM 0 H GLU A 20 -13.055 2.976 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.265 2.177 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.622 3.171 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.920 4.579 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.505 3.793 -9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.563 2.338 -8.762 1.00 0.00 H new ATOM 333 N GLU A 21 -11.413 4.967 -5.785 1.00 0.00 N ATOM 334 CA GLU A 21 -10.472 6.073 -5.811 1.00 0.00 C ATOM 335 C GLU A 21 -9.040 5.555 -5.656 1.00 0.00 C ATOM 336 O GLU A 21 -8.092 6.201 -6.098 1.00 0.00 O ATOM 337 CB GLU A 21 -10.804 7.101 -4.728 1.00 0.00 C ATOM 338 CG GLU A 21 -11.681 8.223 -5.287 1.00 0.00 C ATOM 339 CD GLU A 21 -10.943 9.564 -5.253 1.00 0.00 C ATOM 340 OE1 GLU A 21 -9.786 9.646 -5.691 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.615 10.543 -4.750 1.00 0.00 O ATOM 0 H GLU A 21 -12.002 4.928 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.554 6.572 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.318 6.610 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.882 7.521 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.969 7.988 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.600 8.295 -4.706 1.00 0.00 H new ATOM 349 N VAL A 22 -8.930 4.395 -5.026 1.00 0.00 N ATOM 350 CA VAL A 22 -7.630 3.784 -4.807 1.00 0.00 C ATOM 351 C VAL A 22 -7.260 2.933 -6.024 1.00 0.00 C ATOM 352 O VAL A 22 -7.903 1.921 -6.297 1.00 0.00 O ATOM 353 CB VAL A 22 -7.640 2.986 -3.501 1.00 0.00 C ATOM 354 CG1 VAL A 22 -8.199 1.579 -3.722 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.243 2.931 -2.881 1.00 0.00 C ATOM 0 H VAL A 22 -9.719 3.862 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.862 4.549 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.297 3.500 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.195 1.033 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.220 1.648 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.581 1.052 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.279 2.358 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.554 2.452 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.899 3.943 -2.669 1.00 0.00 H new ATOM 365 N THR A 23 -6.224 3.375 -6.721 1.00 0.00 N ATOM 366 CA THR A 23 -5.760 2.667 -7.903 1.00 0.00 C ATOM 367 C THR A 23 -4.252 2.424 -7.821 1.00 0.00 C ATOM 368 O THR A 23 -3.663 2.510 -6.744 1.00 0.00 O ATOM 369 CB THR A 23 -6.180 3.474 -9.133 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.252 4.555 -9.172 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.538 4.156 -8.951 1.00 0.00 C ATOM 0 H THR A 23 -5.692 4.214 -6.490 1.00 0.00 H new ATOM 0 HA THR A 23 -6.213 1.678 -7.975 1.00 0.00 H new ATOM 0 HB THR A 23 -6.217 2.817 -10.002 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.900 4.651 -10.081 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.788 4.715 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.303 3.401 -8.768 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.492 4.838 -8.102 1.00 0.00 H new ATOM 379 N ASN A 24 -3.670 2.125 -8.973 1.00 0.00 N ATOM 380 CA ASN A 24 -2.241 1.869 -9.045 1.00 0.00 C ATOM 381 C ASN A 24 -1.495 3.198 -9.176 1.00 0.00 C ATOM 382 O ASN A 24 -0.527 3.444 -8.458 1.00 0.00 O ATOM 383 CB ASN A 24 -1.897 1.012 -10.264 1.00 0.00 C ATOM 384 CG ASN A 24 -2.555 1.567 -11.529 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.765 1.560 -11.684 1.00 0.00 O ATOM 386 ND2 ASN A 24 -1.694 2.045 -12.422 1.00 0.00 N ATOM 0 H ASN A 24 -4.162 2.054 -9.864 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.946 1.341 -8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.816 0.980 -10.397 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.228 -0.013 -10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.035 2.436 -13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.693 2.020 -12.229 1.00 0.00 H new ATOM 393 N ASN A 25 -1.975 4.021 -10.097 1.00 0.00 N ATOM 394 CA ASN A 25 -1.365 5.319 -10.331 1.00 0.00 C ATOM 395 C ASN A 25 -2.163 6.394 -9.589 1.00 0.00 C ATOM 396 O ASN A 25 -2.622 7.360 -10.196 1.00 0.00 O ATOM 397 CB ASN A 25 -1.371 5.670 -11.820 1.00 0.00 C ATOM 398 CG ASN A 25 -2.729 5.360 -12.452 1.00 0.00 C ATOM 399 OD1 ASN A 25 -3.775 5.515 -11.844 1.00 0.00 O ATOM 400 ND2 ASN A 25 -2.655 4.913 -13.702 1.00 0.00 N ATOM 0 H ASN A 25 -2.779 3.814 -10.690 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.336 5.277 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.139 6.727 -11.949 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.591 5.108 -12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.507 4.677 -14.210 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.746 4.806 -14.153 1.00 0.00 H new ATOM 407 N ALA A 26 -2.303 6.189 -8.288 1.00 0.00 N ATOM 408 CA ALA A 26 -3.037 7.128 -7.457 1.00 0.00 C ATOM 409 C ALA A 26 -2.224 7.431 -6.197 1.00 0.00 C ATOM 410 O ALA A 26 -2.344 6.731 -5.193 1.00 0.00 O ATOM 411 CB ALA A 26 -4.418 6.553 -7.135 1.00 0.00 C ATOM 0 H ALA A 26 -1.920 5.386 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.190 8.069 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.969 7.257 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.966 6.383 -8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.304 5.609 -6.602 1.00 0.00 H new ATOM 417 N SER A 27 -1.414 8.475 -6.291 1.00 0.00 N ATOM 418 CA SER A 27 -0.582 8.880 -5.171 1.00 0.00 C ATOM 419 C SER A 27 -1.456 9.418 -4.037 1.00 0.00 C ATOM 420 O SER A 27 -1.567 10.630 -3.856 1.00 0.00 O ATOM 421 CB SER A 27 0.442 9.934 -5.598 1.00 0.00 C ATOM 422 OG SER A 27 0.739 9.857 -6.990 1.00 0.00 O ATOM 0 H SER A 27 -1.316 9.053 -7.126 1.00 0.00 H new ATOM 0 HA SER A 27 -0.037 8.005 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.059 10.927 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.359 9.802 -5.024 1.00 0.00 H new ATOM 0 HG SER A 27 1.395 10.547 -7.223 1.00 0.00 H new ATOM 428 N PHE A 28 -2.054 8.492 -3.302 1.00 0.00 N ATOM 429 CA PHE A 28 -2.914 8.858 -2.190 1.00 0.00 C ATOM 430 C PHE A 28 -2.347 10.059 -1.430 1.00 0.00 C ATOM 431 O PHE A 28 -3.097 10.919 -0.972 1.00 0.00 O ATOM 432 CB PHE A 28 -2.967 7.653 -1.250 1.00 0.00 C ATOM 433 CG PHE A 28 -1.631 6.923 -1.098 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.655 7.448 -0.309 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.419 5.749 -1.751 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.585 6.770 -0.168 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.179 5.071 -1.610 1.00 0.00 C ATOM 438 CZ PHE A 28 0.796 5.596 -0.822 1.00 0.00 C ATOM 0 H PHE A 28 -1.960 7.488 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.903 9.130 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.301 7.986 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.714 6.950 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.823 8.380 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.194 5.332 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.360 7.186 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.011 4.139 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.739 5.081 -0.715 1.00 0.00 H new ATOM 448 N VAL A 29 -1.027 10.079 -1.320 1.00 0.00 N ATOM 449 CA VAL A 29 -0.350 11.159 -0.623 1.00 0.00 C ATOM 450 C VAL A 29 -1.038 12.485 -0.957 1.00 0.00 C ATOM 451 O VAL A 29 -1.920 12.932 -0.226 1.00 0.00 O ATOM 452 CB VAL A 29 1.140 11.155 -0.971 1.00 0.00 C ATOM 453 CG1 VAL A 29 1.928 10.278 0.004 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.364 10.705 -2.416 1.00 0.00 C ATOM 0 H VAL A 29 -0.408 9.364 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.418 11.019 0.456 1.00 0.00 H new ATOM 0 HB VAL A 29 1.509 12.176 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.984 10.292 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.807 10.661 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.555 9.255 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.431 10.711 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.972 9.697 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.849 11.386 -3.093 1.00 0.00 H new ATOM 464 N GLU A 30 -0.608 13.076 -2.062 1.00 0.00 N ATOM 465 CA GLU A 30 -1.171 14.341 -2.502 1.00 0.00 C ATOM 466 C GLU A 30 -2.569 14.126 -3.084 1.00 0.00 C ATOM 467 O GLU A 30 -3.528 14.768 -2.658 1.00 0.00 O ATOM 468 CB GLU A 30 -0.254 15.027 -3.517 1.00 0.00 C ATOM 469 CG GLU A 30 -0.684 16.476 -3.754 1.00 0.00 C ATOM 470 CD GLU A 30 -1.729 16.562 -4.868 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.511 16.028 -5.966 1.00 0.00 O ATOM 472 OE2 GLU A 30 -2.801 17.210 -4.561 1.00 0.00 O ATOM 0 H GLU A 30 0.124 12.702 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.256 14.998 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.775 15.004 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.274 14.479 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.093 16.893 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.185 17.079 -4.018 1.00 0.00 H new ATOM 480 N ASP A 31 -2.641 13.221 -4.049 1.00 0.00 N ATOM 481 CA ASP A 31 -3.906 12.913 -4.693 1.00 0.00 C ATOM 482 C ASP A 31 -5.017 12.890 -3.642 1.00 0.00 C ATOM 483 O ASP A 31 -5.879 13.767 -3.624 1.00 0.00 O ATOM 484 CB ASP A 31 -3.862 11.539 -5.365 1.00 0.00 C ATOM 485 CG ASP A 31 -2.865 11.416 -6.519 1.00 0.00 C ATOM 486 OD1 ASP A 31 -1.686 11.777 -6.386 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.349 10.917 -7.606 1.00 0.00 O ATOM 0 H ASP A 31 -1.843 12.691 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.095 13.677 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.617 10.790 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.858 11.302 -5.738 1.00 0.00 H new ATOM 493 N LEU A 32 -4.961 11.876 -2.790 1.00 0.00 N ATOM 494 CA LEU A 32 -5.952 11.727 -1.738 1.00 0.00 C ATOM 495 C LEU A 32 -5.486 12.485 -0.493 1.00 0.00 C ATOM 496 O LEU A 32 -5.505 13.715 -0.468 1.00 0.00 O ATOM 497 CB LEU A 32 -6.244 10.247 -1.483 1.00 0.00 C ATOM 498 CG LEU A 32 -7.014 9.516 -2.585 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.095 8.570 -3.361 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.233 8.789 -2.012 1.00 0.00 C ATOM 0 H LEU A 32 -4.245 11.150 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.901 12.168 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.296 9.732 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.810 10.163 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.384 10.258 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.667 8.063 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.288 9.141 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.675 7.831 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.763 8.278 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.906 8.059 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.899 9.512 -1.541 1.00 0.00 H new ATOM 512 N GLY A 33 -5.078 11.720 0.508 1.00 0.00 N ATOM 513 CA GLY A 33 -4.608 12.304 1.753 1.00 0.00 C ATOM 514 C GLY A 33 -4.086 11.224 2.703 1.00 0.00 C ATOM 515 O GLY A 33 -4.822 10.737 3.559 1.00 0.00 O ATOM 0 H GLY A 33 -5.063 10.700 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.816 13.024 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.420 12.852 2.231 1.00 0.00 H new ATOM 519 N ALA A 34 -2.820 10.882 2.519 1.00 0.00 N ATOM 520 CA ALA A 34 -2.190 9.869 3.349 1.00 0.00 C ATOM 521 C ALA A 34 -1.188 10.538 4.291 1.00 0.00 C ATOM 522 O ALA A 34 0.009 10.260 4.230 1.00 0.00 O ATOM 523 CB ALA A 34 -1.536 8.812 2.457 1.00 0.00 C ATOM 0 H ALA A 34 -2.213 11.288 1.807 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.933 9.362 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.063 8.052 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.295 8.346 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.783 9.284 1.826 1.00 0.00 H new ATOM 529 N ASP A 35 -1.714 11.407 5.142 1.00 0.00 N ATOM 530 CA ASP A 35 -0.880 12.118 6.097 1.00 0.00 C ATOM 531 C ASP A 35 -1.114 11.546 7.496 1.00 0.00 C ATOM 532 O ASP A 35 -0.886 12.227 8.495 1.00 0.00 O ATOM 533 CB ASP A 35 -1.228 13.607 6.130 1.00 0.00 C ATOM 534 CG ASP A 35 -0.326 14.501 5.277 1.00 0.00 C ATOM 535 OD1 ASP A 35 0.078 14.127 4.166 1.00 0.00 O ATOM 536 OD2 ASP A 35 -0.035 15.643 5.803 1.00 0.00 O ATOM 0 H ASP A 35 -2.707 11.635 5.190 1.00 0.00 H new ATOM 0 HA ASP A 35 0.160 11.998 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.258 13.731 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.184 13.952 7.163 1.00 0.00 H new ATOM 542 N SER A 36 -1.565 10.301 7.525 1.00 0.00 N ATOM 543 CA SER A 36 -1.832 9.630 8.786 1.00 0.00 C ATOM 544 C SER A 36 -2.202 8.167 8.532 1.00 0.00 C ATOM 545 O SER A 36 -3.245 7.880 7.946 1.00 0.00 O ATOM 546 CB SER A 36 -2.950 10.334 9.558 1.00 0.00 C ATOM 547 OG SER A 36 -2.835 10.134 10.964 1.00 0.00 O ATOM 0 H SER A 36 -1.752 9.739 6.695 1.00 0.00 H new ATOM 0 HA SER A 36 -0.927 9.669 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.924 11.402 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.916 9.962 9.217 1.00 0.00 H new ATOM 0 HG SER A 36 -3.566 10.600 11.422 1.00 0.00 H new ATOM 553 N LEU A 37 -1.327 7.282 8.986 1.00 0.00 N ATOM 554 CA LEU A 37 -1.549 5.856 8.816 1.00 0.00 C ATOM 555 C LEU A 37 -1.335 5.483 7.348 1.00 0.00 C ATOM 556 O LEU A 37 -1.872 4.483 6.873 1.00 0.00 O ATOM 557 CB LEU A 37 -2.924 5.459 9.357 1.00 0.00 C ATOM 558 CG LEU A 37 -3.414 6.238 10.579 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.737 6.947 10.283 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.513 5.329 11.806 1.00 0.00 C ATOM 0 H LEU A 37 -0.463 7.525 9.471 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.826 5.286 9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.655 5.578 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.900 4.399 9.612 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.679 7.010 10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.063 7.493 11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.599 7.644 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.493 6.209 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.864 5.908 12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.215 4.520 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.531 4.911 12.029 1.00 0.00 H new ATOM 572 N ASP A 38 -0.549 6.306 6.669 1.00 0.00 N ATOM 573 CA ASP A 38 -0.258 6.075 5.265 1.00 0.00 C ATOM 574 C ASP A 38 0.733 4.916 5.138 1.00 0.00 C ATOM 575 O ASP A 38 0.502 3.978 4.377 1.00 0.00 O ATOM 576 CB ASP A 38 0.376 7.311 4.623 1.00 0.00 C ATOM 577 CG ASP A 38 1.746 7.700 5.182 1.00 0.00 C ATOM 578 OD1 ASP A 38 1.930 7.806 6.404 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.660 7.900 4.294 1.00 0.00 O ATOM 0 H ASP A 38 -0.105 7.134 7.066 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.196 5.847 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.474 7.135 3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.303 8.155 4.747 1.00 0.00 H new ATOM 585 N THR A 39 1.815 5.019 5.895 1.00 0.00 N ATOM 586 CA THR A 39 2.842 3.992 5.877 1.00 0.00 C ATOM 587 C THR A 39 2.724 3.098 7.113 1.00 0.00 C ATOM 588 O THR A 39 2.523 1.890 6.993 1.00 0.00 O ATOM 589 CB THR A 39 4.201 4.683 5.755 1.00 0.00 C ATOM 590 OG1 THR A 39 4.542 4.540 4.379 1.00 0.00 O ATOM 591 CG2 THR A 39 5.310 3.930 6.493 1.00 0.00 C ATOM 0 H THR A 39 2.003 5.799 6.525 1.00 0.00 H new ATOM 0 HA THR A 39 2.721 3.328 5.021 1.00 0.00 H new ATOM 0 HB THR A 39 4.128 5.697 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.938 5.375 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.253 4.463 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.062 3.863 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.406 2.926 6.079 1.00 0.00 H new ATOM 599 N VAL A 40 2.854 3.726 8.272 1.00 0.00 N ATOM 600 CA VAL A 40 2.764 3.002 9.529 1.00 0.00 C ATOM 601 C VAL A 40 1.761 1.856 9.383 1.00 0.00 C ATOM 602 O VAL A 40 2.104 0.695 9.599 1.00 0.00 O ATOM 603 CB VAL A 40 2.410 3.966 10.664 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.139 3.206 11.964 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.509 5.012 10.858 1.00 0.00 C ATOM 0 H VAL A 40 3.021 4.728 8.367 1.00 0.00 H new ATOM 0 HA VAL A 40 3.727 2.560 9.784 1.00 0.00 H new ATOM 0 HB VAL A 40 1.496 4.490 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.890 3.914 12.754 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.306 2.519 11.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.028 2.643 12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.232 5.684 11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.447 4.513 11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.632 5.585 9.939 1.00 0.00 H new ATOM 615 N GLU A 41 0.542 2.223 9.017 1.00 0.00 N ATOM 616 CA GLU A 41 -0.514 1.241 8.839 1.00 0.00 C ATOM 617 C GLU A 41 -0.185 0.314 7.666 1.00 0.00 C ATOM 618 O GLU A 41 -0.095 -0.901 7.837 1.00 0.00 O ATOM 619 CB GLU A 41 -1.869 1.922 8.636 1.00 0.00 C ATOM 620 CG GLU A 41 -2.840 1.557 9.760 1.00 0.00 C ATOM 621 CD GLU A 41 -2.514 2.332 11.039 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.541 3.100 11.067 1.00 0.00 O ATOM 623 OE2 GLU A 41 -3.314 2.114 12.027 1.00 0.00 O ATOM 0 H GLU A 41 0.262 3.187 8.839 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.579 0.639 9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.735 3.003 8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.290 1.623 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.861 1.775 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.789 0.486 9.956 1.00 0.00 H new ATOM 631 N LEU A 42 -0.013 0.924 6.502 1.00 0.00 N ATOM 632 CA LEU A 42 0.304 0.169 5.302 1.00 0.00 C ATOM 633 C LEU A 42 1.313 -0.929 5.647 1.00 0.00 C ATOM 634 O LEU A 42 1.215 -2.047 5.145 1.00 0.00 O ATOM 635 CB LEU A 42 0.773 1.107 4.188 1.00 0.00 C ATOM 636 CG LEU A 42 1.515 0.447 3.024 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.670 1.418 1.851 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.861 -0.119 3.481 1.00 0.00 C ATOM 0 H LEU A 42 -0.087 1.932 6.365 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.587 -0.326 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.097 1.629 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.425 1.863 4.627 1.00 0.00 H new ATOM 0 HG LEU A 42 0.916 -0.393 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.201 0.924 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.685 1.731 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.235 2.292 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.367 -0.582 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.479 0.687 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.697 -0.865 4.258 1.00 0.00 H new ATOM 650 N VAL A 43 2.260 -0.570 6.501 1.00 0.00 N ATOM 651 CA VAL A 43 3.286 -1.510 6.919 1.00 0.00 C ATOM 652 C VAL A 43 2.622 -2.794 7.420 1.00 0.00 C ATOM 653 O VAL A 43 2.774 -3.854 6.814 1.00 0.00 O ATOM 654 CB VAL A 43 4.197 -0.862 7.964 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.394 -1.760 8.282 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.657 0.524 7.506 1.00 0.00 C ATOM 0 H VAL A 43 2.338 0.359 6.915 1.00 0.00 H new ATOM 0 HA VAL A 43 3.922 -1.780 6.076 1.00 0.00 H new ATOM 0 HB VAL A 43 3.620 -0.738 8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.025 -1.275 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.040 -2.714 8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.972 -1.931 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.303 0.963 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.208 0.434 6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.788 1.164 7.355 1.00 0.00 H new ATOM 666 N MET A 44 1.899 -2.658 8.522 1.00 0.00 N ATOM 667 CA MET A 44 1.211 -3.794 9.111 1.00 0.00 C ATOM 668 C MET A 44 0.407 -4.555 8.056 1.00 0.00 C ATOM 669 O MET A 44 0.549 -5.769 7.919 1.00 0.00 O ATOM 670 CB MET A 44 0.271 -3.305 10.215 1.00 0.00 C ATOM 671 CG MET A 44 1.059 -2.848 11.444 1.00 0.00 C ATOM 672 SD MET A 44 0.694 -1.138 11.803 1.00 0.00 S ATOM 673 CE MET A 44 1.647 -0.923 13.296 1.00 0.00 C ATOM 0 H MET A 44 1.775 -1.778 9.023 1.00 0.00 H new ATOM 0 HA MET A 44 1.957 -4.470 9.529 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.337 -2.481 9.841 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.414 -4.105 10.495 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.804 -3.471 12.302 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.128 -2.971 11.267 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.531 0.099 13.658 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.294 -1.620 14.056 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.699 -1.116 13.087 1.00 0.00 H new ATOM 683 N ALA A 45 -0.421 -3.810 7.337 1.00 0.00 N ATOM 684 CA ALA A 45 -1.248 -4.400 6.298 1.00 0.00 C ATOM 685 C ALA A 45 -0.354 -5.133 5.295 1.00 0.00 C ATOM 686 O ALA A 45 -0.420 -6.355 5.177 1.00 0.00 O ATOM 687 CB ALA A 45 -2.093 -3.309 5.637 1.00 0.00 C ATOM 0 H ALA A 45 -0.537 -2.803 7.454 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.935 -5.132 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.713 -3.751 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.731 -2.839 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.437 -2.558 5.196 1.00 0.00 H new ATOM 693 N LEU A 46 0.461 -4.354 4.599 1.00 0.00 N ATOM 694 CA LEU A 46 1.367 -4.913 3.610 1.00 0.00 C ATOM 695 C LEU A 46 2.185 -6.036 4.251 1.00 0.00 C ATOM 696 O LEU A 46 2.713 -6.901 3.554 1.00 0.00 O ATOM 697 CB LEU A 46 2.223 -3.811 2.983 1.00 0.00 C ATOM 698 CG LEU A 46 1.561 -3.003 1.865 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.580 -2.106 1.159 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.830 -3.921 0.883 1.00 0.00 C ATOM 0 H LEU A 46 0.513 -3.340 4.700 1.00 0.00 H new ATOM 0 HA LEU A 46 0.806 -5.356 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.528 -3.122 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.132 -4.265 2.587 1.00 0.00 H new ATOM 0 HG LEU A 46 0.813 -2.350 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.083 -1.543 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.016 -1.414 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.368 -2.722 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.369 -3.321 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.541 -4.617 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.059 -4.480 1.413 1.00 0.00 H new ATOM 712 N GLU A 47 2.264 -5.987 5.573 1.00 0.00 N ATOM 713 CA GLU A 47 3.008 -6.990 6.316 1.00 0.00 C ATOM 714 C GLU A 47 2.164 -8.253 6.495 1.00 0.00 C ATOM 715 O GLU A 47 2.615 -9.355 6.187 1.00 0.00 O ATOM 716 CB GLU A 47 3.468 -6.441 7.668 1.00 0.00 C ATOM 717 CG GLU A 47 4.809 -5.715 7.539 1.00 0.00 C ATOM 718 CD GLU A 47 5.899 -6.432 8.337 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.074 -6.157 9.533 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.578 -7.304 7.671 1.00 0.00 O ATOM 0 H GLU A 47 1.825 -5.268 6.149 1.00 0.00 H new ATOM 0 HA GLU A 47 3.899 -7.251 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.716 -5.756 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.560 -7.258 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.098 -5.661 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.707 -4.690 7.895 1.00 0.00 H new ATOM 728 N GLU A 48 0.953 -8.051 6.994 1.00 0.00 N ATOM 729 CA GLU A 48 0.042 -9.160 7.218 1.00 0.00 C ATOM 730 C GLU A 48 -0.307 -9.838 5.891 1.00 0.00 C ATOM 731 O GLU A 48 -0.486 -11.053 5.839 1.00 0.00 O ATOM 732 CB GLU A 48 -1.222 -8.694 7.944 1.00 0.00 C ATOM 733 CG GLU A 48 -1.304 -9.300 9.346 1.00 0.00 C ATOM 734 CD GLU A 48 -2.368 -10.398 9.408 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.415 -11.266 8.523 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.165 -10.329 10.420 1.00 0.00 O ATOM 0 H GLU A 48 0.582 -7.136 7.249 1.00 0.00 H new ATOM 0 HA GLU A 48 0.540 -9.890 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.226 -7.606 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.102 -8.980 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.334 -9.712 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.539 -8.520 10.070 1.00 0.00 H new ATOM 744 N GLU A 49 -0.392 -9.021 4.851 1.00 0.00 N ATOM 745 CA GLU A 49 -0.716 -9.526 3.528 1.00 0.00 C ATOM 746 C GLU A 49 0.042 -10.827 3.256 1.00 0.00 C ATOM 747 O GLU A 49 -0.530 -11.788 2.743 1.00 0.00 O ATOM 748 CB GLU A 49 -0.413 -8.481 2.453 1.00 0.00 C ATOM 749 CG GLU A 49 -0.808 -8.990 1.065 1.00 0.00 C ATOM 750 CD GLU A 49 -2.321 -8.893 0.857 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.094 -9.174 1.785 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.686 -8.510 -0.320 1.00 0.00 O ATOM 0 H GLU A 49 -0.242 -8.013 4.898 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.785 -9.737 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.953 -7.560 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.650 -8.238 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.294 -8.408 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.487 -10.025 0.948 1.00 0.00 H new ATOM 760 N PHE A 50 1.318 -10.817 3.613 1.00 0.00 N ATOM 761 CA PHE A 50 2.160 -11.985 3.414 1.00 0.00 C ATOM 762 C PHE A 50 3.283 -12.034 4.453 1.00 0.00 C ATOM 763 O PHE A 50 3.243 -12.845 5.377 1.00 0.00 O ATOM 764 CB PHE A 50 2.777 -11.859 2.020 1.00 0.00 C ATOM 765 CG PHE A 50 2.193 -12.830 0.992 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.540 -14.145 1.024 1.00 0.00 C ATOM 767 CD2 PHE A 50 1.327 -12.379 0.045 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.999 -15.046 0.070 1.00 0.00 C ATOM 769 CE2 PHE A 50 0.785 -13.280 -0.909 1.00 0.00 C ATOM 770 CZ PHE A 50 1.132 -14.595 -0.876 1.00 0.00 C ATOM 0 H PHE A 50 1.789 -10.019 4.039 1.00 0.00 H new ATOM 0 HA PHE A 50 1.567 -12.894 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.636 -10.839 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.852 -12.026 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.228 -14.504 1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.052 -11.335 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.276 -16.090 0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.097 -12.922 -1.661 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.719 -15.281 -1.601 1.00 0.00 H new ATOM 780 N ASP A 51 4.257 -11.156 4.266 1.00 0.00 N ATOM 781 CA ASP A 51 5.389 -11.089 5.175 1.00 0.00 C ATOM 782 C ASP A 51 6.481 -10.212 4.560 1.00 0.00 C ATOM 783 O ASP A 51 7.335 -10.702 3.823 1.00 0.00 O ATOM 784 CB ASP A 51 5.981 -12.479 5.420 1.00 0.00 C ATOM 785 CG ASP A 51 6.159 -13.336 4.165 1.00 0.00 C ATOM 786 OD1 ASP A 51 7.284 -13.543 3.687 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.066 -13.807 3.668 1.00 0.00 O ATOM 0 H ASP A 51 4.286 -10.485 3.498 1.00 0.00 H new ATOM 0 HA ASP A 51 5.038 -10.674 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.951 -12.364 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.337 -13.014 6.119 1.00 0.00 H new ATOM 793 N THR A 52 6.417 -8.929 4.885 1.00 0.00 N ATOM 794 CA THR A 52 7.390 -7.978 4.373 1.00 0.00 C ATOM 795 C THR A 52 7.157 -6.595 4.985 1.00 0.00 C ATOM 796 O THR A 52 6.214 -5.899 4.612 1.00 0.00 O ATOM 797 CB THR A 52 7.304 -7.990 2.846 1.00 0.00 C ATOM 798 OG1 THR A 52 8.273 -7.028 2.437 1.00 0.00 O ATOM 799 CG2 THR A 52 5.978 -7.426 2.330 1.00 0.00 C ATOM 0 H THR A 52 5.707 -8.526 5.496 1.00 0.00 H new ATOM 0 HA THR A 52 8.404 -8.257 4.658 1.00 0.00 H new ATOM 0 HB THR A 52 7.430 -9.010 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.833 -6.166 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.969 -7.457 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.153 -8.024 2.717 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.867 -6.395 2.664 1.00 0.00 H new ATOM 807 N GLU A 53 8.031 -6.239 5.914 1.00 0.00 N ATOM 808 CA GLU A 53 7.933 -4.952 6.581 1.00 0.00 C ATOM 809 C GLU A 53 8.396 -3.833 5.646 1.00 0.00 C ATOM 810 O GLU A 53 9.582 -3.730 5.336 1.00 0.00 O ATOM 811 CB GLU A 53 8.735 -4.946 7.883 1.00 0.00 C ATOM 812 CG GLU A 53 10.227 -5.148 7.609 1.00 0.00 C ATOM 813 CD GLU A 53 10.924 -5.790 8.811 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.299 -6.568 9.546 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.159 -5.455 8.967 1.00 0.00 O ATOM 0 H GLU A 53 8.811 -6.820 6.221 1.00 0.00 H new ATOM 0 HA GLU A 53 6.888 -4.776 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.582 -4.001 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.372 -5.735 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.357 -5.779 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.692 -4.188 7.384 1.00 0.00 H new ATOM 823 N ILE A 54 7.436 -3.023 5.223 1.00 0.00 N ATOM 824 CA ILE A 54 7.731 -1.916 4.330 1.00 0.00 C ATOM 825 C ILE A 54 8.756 -0.991 4.991 1.00 0.00 C ATOM 826 O ILE A 54 8.453 -0.334 5.986 1.00 0.00 O ATOM 827 CB ILE A 54 6.442 -1.206 3.913 1.00 0.00 C ATOM 828 CG1 ILE A 54 6.622 -0.483 2.576 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.955 -0.262 5.014 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.712 0.585 2.673 1.00 0.00 C ATOM 0 H ILE A 54 6.454 -3.112 5.482 1.00 0.00 H new ATOM 0 HA ILE A 54 8.180 -2.282 3.406 1.00 0.00 H new ATOM 0 HB ILE A 54 5.668 -1.960 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.882 -1.204 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.681 -0.021 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.037 0.230 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.761 -0.832 5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.719 0.490 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.820 1.084 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.437 1.317 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.657 0.116 2.947 1.00 0.00 H new ATOM 842 N PRO A 55 9.979 -0.970 4.397 1.00 0.00 N ATOM 843 CA PRO A 55 11.049 -0.137 4.918 1.00 0.00 C ATOM 844 C PRO A 55 10.817 1.335 4.572 1.00 0.00 C ATOM 845 O PRO A 55 10.308 1.651 3.497 1.00 0.00 O ATOM 846 CB PRO A 55 12.320 -0.699 4.301 1.00 0.00 C ATOM 847 CG PRO A 55 11.874 -1.522 3.104 1.00 0.00 C ATOM 848 CD PRO A 55 10.373 -1.735 3.218 1.00 0.00 C ATOM 0 HA PRO A 55 11.106 -0.158 6.006 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.993 0.102 3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.863 -1.315 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.117 -1.007 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.395 -2.479 3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.854 -1.383 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.130 -2.792 3.332 1.00 0.00 H new ATOM 856 N ASP A 56 11.201 2.196 5.502 1.00 0.00 N ATOM 857 CA ASP A 56 11.041 3.627 5.309 1.00 0.00 C ATOM 858 C ASP A 56 11.494 4.001 3.896 1.00 0.00 C ATOM 859 O ASP A 56 10.701 4.496 3.097 1.00 0.00 O ATOM 860 CB ASP A 56 11.895 4.416 6.304 1.00 0.00 C ATOM 861 CG ASP A 56 13.250 3.787 6.634 1.00 0.00 C ATOM 862 OD1 ASP A 56 14.306 4.297 6.231 1.00 0.00 O ATOM 863 OD2 ASP A 56 13.193 2.713 7.346 1.00 0.00 O ATOM 0 H ASP A 56 11.623 1.930 6.392 1.00 0.00 H new ATOM 0 HA ASP A 56 9.990 3.872 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.063 5.415 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.331 4.535 7.229 1.00 0.00 H new ATOM 869 N GLU A 57 12.767 3.749 3.632 1.00 0.00 N ATOM 870 CA GLU A 57 13.336 4.053 2.329 1.00 0.00 C ATOM 871 C GLU A 57 12.328 3.733 1.223 1.00 0.00 C ATOM 872 O GLU A 57 12.334 4.369 0.170 1.00 0.00 O ATOM 873 CB GLU A 57 14.647 3.294 2.113 1.00 0.00 C ATOM 874 CG GLU A 57 15.734 3.795 3.066 1.00 0.00 C ATOM 875 CD GLU A 57 16.664 4.787 2.364 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.237 5.484 1.432 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.870 4.819 2.821 1.00 0.00 O ATOM 0 H GLU A 57 13.421 3.338 4.298 1.00 0.00 H new ATOM 0 HA GLU A 57 13.561 5.119 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.484 2.228 2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.977 3.418 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.273 4.273 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.313 2.950 3.440 1.00 0.00 H new ATOM 885 N GLU A 58 11.486 2.748 1.500 1.00 0.00 N ATOM 886 CA GLU A 58 10.475 2.336 0.542 1.00 0.00 C ATOM 887 C GLU A 58 9.137 3.007 0.860 1.00 0.00 C ATOM 888 O GLU A 58 8.409 3.408 -0.046 1.00 0.00 O ATOM 889 CB GLU A 58 10.332 0.813 0.516 1.00 0.00 C ATOM 890 CG GLU A 58 10.923 0.228 -0.768 1.00 0.00 C ATOM 891 CD GLU A 58 11.884 -0.921 -0.456 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.504 -2.096 -0.570 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.065 -0.558 -0.083 1.00 0.00 O ATOM 0 H GLU A 58 11.484 2.223 2.375 1.00 0.00 H new ATOM 0 HA GLU A 58 10.792 2.655 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.836 0.382 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.279 0.542 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.120 -0.130 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.449 1.008 -1.318 1.00 0.00 H new ATOM 901 N ALA A 59 8.855 3.108 2.151 1.00 0.00 N ATOM 902 CA ALA A 59 7.618 3.724 2.600 1.00 0.00 C ATOM 903 C ALA A 59 7.417 5.050 1.864 1.00 0.00 C ATOM 904 O ALA A 59 6.284 5.472 1.636 1.00 0.00 O ATOM 905 CB ALA A 59 7.658 3.900 4.119 1.00 0.00 C ATOM 0 H ALA A 59 9.462 2.774 2.900 1.00 0.00 H new ATOM 0 HA ALA A 59 6.765 3.086 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.730 4.362 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.772 2.926 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.500 4.537 4.389 1.00 0.00 H new ATOM 911 N GLU A 60 8.533 5.671 1.513 1.00 0.00 N ATOM 912 CA GLU A 60 8.494 6.940 0.807 1.00 0.00 C ATOM 913 C GLU A 60 8.475 6.707 -0.705 1.00 0.00 C ATOM 914 O GLU A 60 7.764 7.397 -1.434 1.00 0.00 O ATOM 915 CB GLU A 60 9.672 7.829 1.211 1.00 0.00 C ATOM 916 CG GLU A 60 9.348 9.307 0.985 1.00 0.00 C ATOM 917 CD GLU A 60 9.239 10.054 2.316 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.155 9.975 3.147 1.00 0.00 O ATOM 919 OE2 GLU A 60 8.155 10.735 2.471 1.00 0.00 O ATOM 0 H GLU A 60 9.471 5.319 1.705 1.00 0.00 H new ATOM 0 HA GLU A 60 7.577 7.460 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.914 7.663 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.554 7.554 0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.124 9.763 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.411 9.398 0.435 1.00 0.00 H new ATOM 927 N LYS A 61 9.266 5.733 -1.131 1.00 0.00 N ATOM 928 CA LYS A 61 9.349 5.400 -2.543 1.00 0.00 C ATOM 929 C LYS A 61 8.047 4.728 -2.982 1.00 0.00 C ATOM 930 O LYS A 61 7.830 4.504 -4.171 1.00 0.00 O ATOM 931 CB LYS A 61 10.598 4.562 -2.823 1.00 0.00 C ATOM 932 CG LYS A 61 11.647 5.378 -3.581 1.00 0.00 C ATOM 933 CD LYS A 61 12.865 4.519 -3.928 1.00 0.00 C ATOM 934 CE LYS A 61 14.132 5.373 -4.013 1.00 0.00 C ATOM 935 NZ LYS A 61 15.178 4.838 -3.113 1.00 0.00 N ATOM 0 H LYS A 61 9.855 5.164 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 61 9.459 6.304 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.019 4.205 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.327 3.681 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.209 5.780 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.958 6.229 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.995 3.744 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.699 4.013 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.500 5.388 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.902 6.403 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.031 5.429 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.830 4.846 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.409 3.863 -3.390 1.00 0.00 H new ATOM 948 N ILE A 62 7.213 4.425 -1.997 1.00 0.00 N ATOM 949 CA ILE A 62 5.938 3.783 -2.267 1.00 0.00 C ATOM 950 C ILE A 62 4.818 4.819 -2.160 1.00 0.00 C ATOM 951 O ILE A 62 3.654 4.464 -1.982 1.00 0.00 O ATOM 952 CB ILE A 62 5.744 2.571 -1.352 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.344 3.007 0.058 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.991 1.684 -1.346 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.911 1.807 0.901 1.00 0.00 C ATOM 0 H ILE A 62 7.396 4.612 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 62 5.916 3.392 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 62 4.924 1.972 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.183 3.510 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.530 3.729 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.827 0.830 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.191 1.330 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.845 2.259 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.632 2.145 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.056 1.321 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.736 1.098 0.976 1.00 0.00 H new ATOM 967 N THR A 63 5.208 6.080 -2.274 1.00 0.00 N ATOM 968 CA THR A 63 4.251 7.170 -2.193 1.00 0.00 C ATOM 969 C THR A 63 2.934 6.774 -2.863 1.00 0.00 C ATOM 970 O THR A 63 1.866 7.230 -2.458 1.00 0.00 O ATOM 971 CB THR A 63 4.897 8.413 -2.809 1.00 0.00 C ATOM 972 OG1 THR A 63 3.808 9.312 -2.999 1.00 0.00 O ATOM 973 CG2 THR A 63 5.422 8.160 -4.224 1.00 0.00 C ATOM 0 H THR A 63 6.174 6.371 -2.422 1.00 0.00 H new ATOM 0 HA THR A 63 3.997 7.397 -1.158 1.00 0.00 H new ATOM 0 HB THR A 63 5.716 8.749 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.055 9.990 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.870 9.074 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.173 7.370 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.598 7.856 -4.869 1.00 0.00 H new ATOM 981 N THR A 64 3.053 5.931 -3.878 1.00 0.00 N ATOM 982 CA THR A 64 1.885 5.469 -4.608 1.00 0.00 C ATOM 983 C THR A 64 1.547 4.029 -4.217 1.00 0.00 C ATOM 984 O THR A 64 2.370 3.333 -3.624 1.00 0.00 O ATOM 985 CB THR A 64 2.163 5.643 -6.103 1.00 0.00 C ATOM 986 OG1 THR A 64 3.530 5.271 -6.248 1.00 0.00 O ATOM 987 CG2 THR A 64 2.128 7.110 -6.537 1.00 0.00 C ATOM 0 H THR A 64 3.941 5.556 -4.212 1.00 0.00 H new ATOM 0 HA THR A 64 1.003 6.057 -4.356 1.00 0.00 H new ATOM 0 HB THR A 64 1.430 5.076 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.793 5.353 -7.188 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.331 7.178 -7.606 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.143 7.528 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.884 7.670 -5.987 1.00 0.00 H new ATOM 995 N VAL A 65 0.334 3.625 -4.564 1.00 0.00 N ATOM 996 CA VAL A 65 -0.123 2.280 -4.257 1.00 0.00 C ATOM 997 C VAL A 65 0.628 1.277 -5.134 1.00 0.00 C ATOM 998 O VAL A 65 1.143 0.276 -4.638 1.00 0.00 O ATOM 999 CB VAL A 65 -1.643 2.195 -4.418 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.149 0.787 -4.098 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.346 3.241 -3.550 1.00 0.00 C ATOM 0 H VAL A 65 -0.346 4.205 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 65 0.096 2.030 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.883 2.409 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.232 0.753 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.685 0.071 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.891 0.533 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.425 3.159 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.096 3.072 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.019 4.238 -3.845 1.00 0.00 H new ATOM 1011 N GLN A 66 0.667 1.580 -6.423 1.00 0.00 N ATOM 1012 CA GLN A 66 1.348 0.718 -7.374 1.00 0.00 C ATOM 1013 C GLN A 66 2.644 0.177 -6.768 1.00 0.00 C ATOM 1014 O GLN A 66 2.862 -1.033 -6.736 1.00 0.00 O ATOM 1015 CB GLN A 66 1.622 1.457 -8.686 1.00 0.00 C ATOM 1016 CG GLN A 66 2.589 0.666 -9.569 1.00 0.00 C ATOM 1017 CD GLN A 66 2.087 0.601 -11.012 1.00 0.00 C ATOM 1018 OE1 GLN A 66 1.092 -0.261 -11.201 1.00 0.00 O flip ATOM 1019 NE2 GLN A 66 2.570 1.289 -11.897 1.00 0.00 N flip ATOM 0 H GLN A 66 0.238 2.410 -6.831 1.00 0.00 H new ATOM 0 HA GLN A 66 0.696 -0.126 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.685 1.618 -9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.040 2.441 -8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.574 1.132 -9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.704 -0.344 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.333 1.932 -11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.210 1.221 -12.849 1.00 0.00 H new ATOM 1028 N ALA A 67 3.472 1.101 -6.302 1.00 0.00 N ATOM 1029 CA ALA A 67 4.741 0.732 -5.698 1.00 0.00 C ATOM 1030 C ALA A 67 4.505 -0.357 -4.651 1.00 0.00 C ATOM 1031 O ALA A 67 5.247 -1.337 -4.591 1.00 0.00 O ATOM 1032 CB ALA A 67 5.405 1.977 -5.106 1.00 0.00 C ATOM 0 H ALA A 67 3.289 2.104 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 67 5.420 0.326 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.357 1.701 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.578 2.708 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.754 2.410 -4.347 1.00 0.00 H new ATOM 1038 N ALA A 68 3.470 -0.150 -3.850 1.00 0.00 N ATOM 1039 CA ALA A 68 3.127 -1.103 -2.808 1.00 0.00 C ATOM 1040 C ALA A 68 2.878 -2.474 -3.438 1.00 0.00 C ATOM 1041 O ALA A 68 2.993 -3.499 -2.769 1.00 0.00 O ATOM 1042 CB ALA A 68 1.916 -0.591 -2.027 1.00 0.00 C ATOM 0 H ALA A 68 2.858 0.664 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 68 3.949 -1.211 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.658 -1.306 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.155 0.371 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.070 -0.473 -2.704 1.00 0.00 H new ATOM 1048 N ILE A 69 2.540 -2.448 -4.719 1.00 0.00 N ATOM 1049 CA ILE A 69 2.273 -3.677 -5.448 1.00 0.00 C ATOM 1050 C ILE A 69 3.585 -4.227 -6.009 1.00 0.00 C ATOM 1051 O ILE A 69 3.834 -5.430 -5.950 1.00 0.00 O ATOM 1052 CB ILE A 69 1.197 -3.446 -6.511 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.081 -2.883 -5.886 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.930 -4.725 -7.308 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.767 -1.897 -6.833 1.00 0.00 C ATOM 0 H ILE A 69 2.445 -1.595 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 69 1.869 -4.437 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 69 1.567 -2.699 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.764 -3.699 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.159 -2.384 -4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.161 -4.533 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.847 -5.043 -7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.591 -5.510 -6.633 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.673 -1.512 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.091 -1.070 -7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.027 -2.405 -7.761 1.00 0.00 H new ATOM 1067 N ASP A 70 4.390 -3.320 -6.542 1.00 0.00 N ATOM 1068 CA ASP A 70 5.671 -3.699 -7.114 1.00 0.00 C ATOM 1069 C ASP A 70 6.632 -4.088 -5.989 1.00 0.00 C ATOM 1070 O ASP A 70 7.650 -4.734 -6.233 1.00 0.00 O ATOM 1071 CB ASP A 70 6.295 -2.536 -7.888 1.00 0.00 C ATOM 1072 CG ASP A 70 7.012 -2.930 -9.180 1.00 0.00 C ATOM 1073 OD1 ASP A 70 8.211 -2.663 -9.353 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.279 -3.546 -10.045 1.00 0.00 O ATOM 0 H ASP A 70 4.180 -2.323 -6.590 1.00 0.00 H new ATOM 0 HA ASP A 70 5.503 -4.535 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.511 -1.818 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.005 -2.026 -7.237 1.00 0.00 H new ATOM 1080 N TYR A 71 6.274 -3.679 -4.781 1.00 0.00 N ATOM 1081 CA TYR A 71 7.092 -3.976 -3.617 1.00 0.00 C ATOM 1082 C TYR A 71 6.796 -5.379 -3.083 1.00 0.00 C ATOM 1083 O TYR A 71 7.714 -6.159 -2.834 1.00 0.00 O ATOM 1084 CB TYR A 71 6.704 -2.947 -2.554 1.00 0.00 C ATOM 1085 CG TYR A 71 6.903 -3.431 -1.117 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.058 -4.101 -0.768 1.00 0.00 C ATOM 1087 CD2 TYR A 71 5.927 -3.198 -0.169 1.00 0.00 C ATOM 1088 CE1 TYR A 71 8.245 -4.557 0.585 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.114 -3.654 1.184 1.00 0.00 C ATOM 1090 CZ TYR A 71 7.264 -4.311 1.494 1.00 0.00 C ATOM 1091 OH TYR A 71 7.441 -4.742 2.772 1.00 0.00 O ATOM 0 H TYR A 71 5.428 -3.144 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 71 8.151 -3.934 -3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.293 -2.043 -2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.658 -2.673 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.822 -4.283 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.023 -2.674 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.144 -5.082 0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.358 -3.478 1.935 1.00 0.00 H new ATOM 0 HH TYR A 71 6.571 -4.808 3.218 1.00 0.00 H new ATOM 1101 N ILE A 72 5.511 -5.658 -2.923 1.00 0.00 N ATOM 1102 CA ILE A 72 5.082 -6.953 -2.424 1.00 0.00 C ATOM 1103 C ILE A 72 5.460 -8.036 -3.436 1.00 0.00 C ATOM 1104 O ILE A 72 5.715 -9.180 -3.061 1.00 0.00 O ATOM 1105 CB ILE A 72 3.592 -6.927 -2.078 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.281 -5.815 -1.074 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.121 -8.296 -1.581 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.545 -6.280 0.359 1.00 0.00 C ATOM 0 H ILE A 72 4.752 -5.009 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 72 5.597 -7.192 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 72 3.034 -6.704 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.892 -4.940 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.239 -5.510 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.059 -8.250 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.286 -9.042 -2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.682 -8.572 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.316 -5.471 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.915 -7.140 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.593 -6.561 0.463 1.00 0.00 H new ATOM 1120 N ASN A 73 5.484 -7.638 -4.699 1.00 0.00 N ATOM 1121 CA ASN A 73 5.826 -8.560 -5.769 1.00 0.00 C ATOM 1122 C ASN A 73 7.347 -8.706 -5.842 1.00 0.00 C ATOM 1123 O ASN A 73 7.857 -9.789 -6.126 1.00 0.00 O ATOM 1124 CB ASN A 73 5.335 -8.042 -7.122 1.00 0.00 C ATOM 1125 CG ASN A 73 4.004 -8.691 -7.507 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.035 -7.821 -7.775 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.867 -9.903 -7.558 1.00 0.00 N flip ATOM 0 H ASN A 73 5.272 -6.689 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 73 5.349 -9.516 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.217 -6.959 -7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.081 -8.252 -7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.653 -10.515 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.966 -10.304 -7.819 1.00 0.00 H new ATOM 1134 N GLY A 74 8.030 -7.601 -5.582 1.00 0.00 N ATOM 1135 CA GLY A 74 9.482 -7.592 -5.616 1.00 0.00 C ATOM 1136 C GLY A 74 10.064 -7.960 -4.250 1.00 0.00 C ATOM 1137 O GLY A 74 11.207 -7.620 -3.946 1.00 0.00 O ATOM 0 H GLY A 74 7.604 -6.705 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.836 -8.297 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.836 -6.605 -5.912 1.00 0.00 H new ATOM 1141 N HIS A 75 9.252 -8.650 -3.462 1.00 0.00 N ATOM 1142 CA HIS A 75 9.672 -9.068 -2.136 1.00 0.00 C ATOM 1143 C HIS A 75 10.188 -10.507 -2.190 1.00 0.00 C ATOM 1144 O HIS A 75 11.289 -10.794 -1.722 1.00 0.00 O ATOM 1145 CB HIS A 75 8.540 -8.882 -1.123 1.00 0.00 C ATOM 1146 CG HIS A 75 8.486 -9.951 -0.059 1.00 0.00 C ATOM 1147 ND1 HIS A 75 9.468 -10.474 0.730 1.00 0.00 N flip ATOM 1148 CD2 HIS A 75 7.316 -10.605 0.288 1.00 0.00 C flip ATOM 1149 CE1 HIS A 75 8.928 -11.396 1.517 1.00 0.00 C flip ATOM 1150 NE2 HIS A 75 7.594 -11.479 1.244 1.00 0.00 N flip ATOM 0 H HIS A 75 8.305 -8.930 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 75 10.493 -8.437 -1.796 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.653 -7.910 -0.642 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.589 -8.865 -1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.343 -10.432 -0.147 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.457 -11.984 2.252 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.927 -12.104 1.697 1.00 0.00 H new ATOM 1158 N GLN A 76 9.368 -11.374 -2.765 1.00 0.00 N ATOM 1159 CA GLN A 76 9.728 -12.777 -2.887 1.00 0.00 C ATOM 1160 C GLN A 76 11.170 -12.914 -3.381 1.00 0.00 C ATOM 1161 O GLN A 76 12.025 -13.442 -2.672 1.00 0.00 O ATOM 1162 CB GLN A 76 8.758 -13.513 -3.814 1.00 0.00 C ATOM 1163 CG GLN A 76 7.377 -13.645 -3.169 1.00 0.00 C ATOM 1164 CD GLN A 76 6.321 -12.887 -3.975 1.00 0.00 C ATOM 1165 OE1 GLN A 76 6.002 -11.700 -3.467 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 5.828 -13.350 -4.991 1.00 0.00 N flip ATOM 0 H GLN A 76 8.456 -11.133 -3.152 1.00 0.00 H new ATOM 0 HA GLN A 76 9.657 -13.238 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.672 -12.975 -4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.151 -14.503 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.102 -14.698 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.409 -13.258 -2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.119 -14.268 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.125 -12.818 -5.505 1.00 0.00 H new ATOM 1175 N ALA A 77 11.394 -12.430 -4.594 1.00 0.00 N ATOM 1176 CA ALA A 77 12.718 -12.492 -5.191 1.00 0.00 C ATOM 1177 C ALA A 77 13.697 -11.687 -4.335 1.00 0.00 C ATOM 1178 O ALA A 77 14.586 -11.021 -4.863 1.00 0.00 O ATOM 1179 CB ALA A 77 12.651 -11.986 -6.633 1.00 0.00 C ATOM 0 H ALA A 77 10.682 -11.994 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 77 13.077 -13.521 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.643 -12.032 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.965 -12.610 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.297 -10.955 -6.641 1.00 0.00 H new TER 1185 ALA A 77