USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 775 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 51 SER OG : rot 73:sc= 1.58 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -173:sc= 0.647 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.779 (180deg=0.24) USER MOD Single : A 1 SER OG : rot 180:sc= 0.286 USER MOD Single : A 2 GLN : amide:sc= -1.04! K(o=-1!,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.2) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HE2:sc= 0.108 K(o=0.11,f=-0.78) USER MOD Single : A 6 SER OG : rot 150:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 57:sc= 1.24 USER MOD Single : A 13 SER OG : rot -63:sc= 1.14 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc=-0.00772 X(o=-0.0077,f=-0.00046) USER MOD Single : A 27 MET CE :methyl -140:sc= 0 (180deg=-0.109) USER MOD Single : A 31 ASN : amide:sc= -1.64! C(o=-1.6!,f=-6.5!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0956 K(o=-0.096,f=-3.8!) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00331 USER MOD Single : A 64 GLN : amide:sc= 0.645 K(o=0.65,f=-3!) USER MOD Single : A 65 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.5!) USER MOD Single : A 73 GLN : amide:sc= 0.124 X(o=0.12,f=-0.15) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.247 X(o=0.25,f=-0.18) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.042) USER MOD Single : A 98 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.846 34.950 -6.517 1.00 25.00 N ATOM 2 CA SER A 1 -5.919 35.693 -5.606 1.00 25.00 C ATOM 3 C SER A 1 -4.754 36.379 -6.299 1.00 25.00 C ATOM 4 O SER A 1 -4.435 36.120 -7.438 1.00 25.00 O ATOM 5 CB SER A 1 -5.415 34.661 -4.620 1.00 25.00 C ATOM 6 OG SER A 1 -6.358 33.624 -4.768 1.00 25.00 O ATOM 0 H1 SER A 1 -7.225 34.117 -6.023 1.00 25.00 H new ATOM 0 H2 SER A 1 -7.631 35.573 -6.797 1.00 25.00 H new ATOM 0 H3 SER A 1 -6.328 34.644 -7.365 1.00 25.00 H new ATOM 0 HA SER A 1 -6.462 36.514 -5.139 1.00 25.00 H new ATOM 0 HB2 SER A 1 -4.404 34.330 -4.858 1.00 25.00 H new ATOM 0 HB3 SER A 1 -5.392 35.048 -3.601 1.00 25.00 H new ATOM 0 HG SER A 1 -6.128 32.885 -4.167 1.00 25.00 H new ATOM 14 N GLN A 2 -4.103 37.295 -5.575 1.00 25.00 N ATOM 15 CA GLN A 2 -2.958 38.041 -6.087 1.00 25.00 C ATOM 16 C GLN A 2 -2.114 38.474 -4.897 1.00 25.00 C ATOM 17 O GLN A 2 -2.512 38.275 -3.752 1.00 25.00 O ATOM 18 CB GLN A 2 -3.421 39.272 -6.887 1.00 25.00 C ATOM 19 CG GLN A 2 -4.159 40.337 -6.050 1.00 25.00 C ATOM 20 CD GLN A 2 -4.591 41.555 -6.860 1.00 25.00 C ATOM 21 OE1 GLN A 2 -5.173 42.478 -6.324 1.00 25.00 O ATOM 22 NE2 GLN A 2 -4.312 41.558 -8.140 1.00 25.00 N ATOM 0 H GLN A 2 -4.358 37.537 -4.618 1.00 25.00 H new ATOM 0 HA GLN A 2 -2.375 37.412 -6.760 1.00 25.00 H new ATOM 0 HB2 GLN A 2 -2.552 39.734 -7.355 1.00 25.00 H new ATOM 0 HB3 GLN A 2 -4.078 38.941 -7.692 1.00 25.00 H new ATOM 0 HG2 GLN A 2 -5.039 39.883 -5.593 1.00 25.00 H new ATOM 0 HG3 GLN A 2 -3.510 40.663 -5.237 1.00 25.00 H new ATOM 0 HE21 GLN A 2 -3.822 40.766 -8.557 1.00 25.00 H new ATOM 0 HE22 GLN A 2 -4.585 42.352 -8.720 1.00 25.00 H new ATOM 31 N GLN A 3 -0.984 39.103 -5.173 1.00 25.00 N ATOM 32 CA GLN A 3 -0.134 39.682 -4.141 1.00 25.00 C ATOM 33 C GLN A 3 0.091 41.134 -4.518 1.00 25.00 C ATOM 34 O GLN A 3 -0.182 41.526 -5.653 1.00 25.00 O ATOM 35 CB GLN A 3 1.203 38.935 -4.057 1.00 25.00 C ATOM 36 CG GLN A 3 1.165 37.723 -3.134 1.00 25.00 C ATOM 37 CD GLN A 3 0.905 38.112 -1.689 1.00 25.00 C ATOM 38 OE1 GLN A 3 1.205 39.219 -1.269 1.00 25.00 O ATOM 39 NE2 GLN A 3 0.339 37.211 -0.931 1.00 25.00 N ATOM 0 H GLN A 3 -0.628 39.228 -6.121 1.00 25.00 H new ATOM 0 HA GLN A 3 -0.608 39.603 -3.162 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.493 38.612 -5.057 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.973 39.623 -3.709 1.00 25.00 H new ATOM 0 HG2 GLN A 3 0.387 37.037 -3.470 1.00 25.00 H new ATOM 0 HG3 GLN A 3 2.112 37.188 -3.200 1.00 25.00 H new ATOM 0 HE21 GLN A 3 0.102 36.297 -1.316 1.00 25.00 H new ATOM 0 HE22 GLN A 3 0.134 37.422 0.046 1.00 25.00 H new ATOM 48 N SER A 4 0.565 41.932 -3.577 1.00 25.00 N ATOM 49 CA SER A 4 0.809 43.351 -3.818 1.00 25.00 C ATOM 50 C SER A 4 2.070 43.748 -3.077 1.00 25.00 C ATOM 51 O SER A 4 2.427 43.098 -2.103 1.00 25.00 O ATOM 52 CB SER A 4 -0.376 44.174 -3.318 1.00 25.00 C ATOM 53 OG SER A 4 -1.569 43.757 -3.963 1.00 25.00 O ATOM 0 H SER A 4 0.791 41.623 -2.632 1.00 25.00 H new ATOM 0 HA SER A 4 0.930 43.537 -4.885 1.00 25.00 H new ATOM 0 HB2 SER A 4 -0.478 44.059 -2.239 1.00 25.00 H new ATOM 0 HB3 SER A 4 -0.200 45.232 -3.511 1.00 25.00 H new ATOM 0 HG SER A 4 -2.322 44.290 -3.634 1.00 25.00 H new ATOM 59 N HIS A 5 2.751 44.784 -3.564 1.00 25.00 N ATOM 60 CA HIS A 5 4.011 45.266 -2.975 1.00 25.00 C ATOM 61 C HIS A 5 5.021 44.115 -2.795 1.00 25.00 C ATOM 62 O HIS A 5 5.690 43.983 -1.770 1.00 25.00 O ATOM 63 CB HIS A 5 3.740 46.001 -1.655 1.00 25.00 C ATOM 64 CG HIS A 5 4.794 47.007 -1.304 1.00 25.00 C ATOM 65 ND1 HIS A 5 6.040 46.687 -0.833 1.00 25.00 N ATOM 66 CD2 HIS A 5 4.783 48.367 -1.375 1.00 25.00 C ATOM 67 CE1 HIS A 5 6.718 47.812 -0.639 1.00 25.00 C ATOM 68 NE2 HIS A 5 6.000 48.871 -0.955 1.00 25.00 N ATOM 0 H HIS A 5 2.449 45.317 -4.379 1.00 25.00 H new ATOM 0 HA HIS A 5 4.463 45.978 -3.665 1.00 25.00 H new ATOM 0 HB2 HIS A 5 2.776 46.505 -1.720 1.00 25.00 H new ATOM 0 HB3 HIS A 5 3.664 45.270 -0.850 1.00 25.00 H new ATOM 0 HD1 HIS A 5 6.388 45.744 -0.660 1.00 25.00 H new ATOM 0 HD2 HIS A 5 3.947 48.964 -1.710 1.00 25.00 H new ATOM 0 HE1 HIS A 5 7.732 47.854 -0.268 1.00 25.00 H new ATOM 76 N SER A 6 5.114 43.284 -3.820 1.00 25.00 N ATOM 77 CA SER A 6 6.021 42.145 -3.841 1.00 25.00 C ATOM 78 C SER A 6 6.679 42.178 -5.207 1.00 25.00 C ATOM 79 O SER A 6 6.241 42.931 -6.079 1.00 25.00 O ATOM 80 CB SER A 6 5.240 40.849 -3.632 1.00 25.00 C ATOM 81 OG SER A 6 4.162 40.765 -4.547 1.00 25.00 O ATOM 0 H SER A 6 4.558 43.381 -4.669 1.00 25.00 H new ATOM 0 HA SER A 6 6.764 42.192 -3.045 1.00 25.00 H new ATOM 0 HB2 SER A 6 5.903 39.993 -3.762 1.00 25.00 H new ATOM 0 HB3 SER A 6 4.862 40.806 -2.611 1.00 25.00 H new ATOM 0 HG SER A 6 3.980 39.824 -4.753 1.00 25.00 H new ATOM 87 N SER A 7 7.741 41.408 -5.392 1.00 25.00 N ATOM 88 CA SER A 7 8.496 41.436 -6.639 1.00 25.00 C ATOM 89 C SER A 7 8.938 40.026 -7.027 1.00 25.00 C ATOM 90 O SER A 7 9.064 39.155 -6.162 1.00 25.00 O ATOM 91 CB SER A 7 9.723 42.338 -6.457 1.00 25.00 C ATOM 92 OG SER A 7 10.547 41.862 -5.404 1.00 25.00 O ATOM 0 H SER A 7 8.101 40.756 -4.695 1.00 25.00 H new ATOM 0 HA SER A 7 7.864 41.828 -7.436 1.00 25.00 H new ATOM 0 HB2 SER A 7 10.295 42.373 -7.384 1.00 25.00 H new ATOM 0 HB3 SER A 7 9.402 43.357 -6.241 1.00 25.00 H new ATOM 0 HG SER A 7 11.325 42.450 -5.306 1.00 25.00 H new ATOM 98 N PRO A 8 9.181 39.781 -8.330 1.00 25.00 N ATOM 99 CA PRO A 8 9.678 38.459 -8.717 1.00 25.00 C ATOM 100 C PRO A 8 11.150 38.295 -8.356 1.00 25.00 C ATOM 101 O PRO A 8 11.813 39.248 -7.951 1.00 25.00 O ATOM 102 CB PRO A 8 9.485 38.462 -10.235 1.00 25.00 C ATOM 103 CG PRO A 8 9.708 39.870 -10.611 1.00 25.00 C ATOM 104 CD PRO A 8 9.047 40.661 -9.508 1.00 25.00 C ATOM 0 HA PRO A 8 9.164 37.640 -8.213 1.00 25.00 H new ATOM 0 HB2 PRO A 8 10.193 37.798 -10.730 1.00 25.00 H new ATOM 0 HB3 PRO A 8 8.486 38.126 -10.513 1.00 25.00 H new ATOM 0 HG2 PRO A 8 10.771 40.099 -10.682 1.00 25.00 H new ATOM 0 HG3 PRO A 8 9.267 40.097 -11.582 1.00 25.00 H new ATOM 0 HD2 PRO A 8 9.539 41.621 -9.351 1.00 25.00 H new ATOM 0 HD3 PRO A 8 8.002 40.872 -9.735 1.00 25.00 H new ATOM 112 N GLY A 9 11.664 37.090 -8.536 1.00 25.00 N ATOM 113 CA GLY A 9 13.070 36.825 -8.274 1.00 25.00 C ATOM 114 C GLY A 9 13.345 35.348 -8.182 1.00 25.00 C ATOM 115 O GLY A 9 14.073 34.801 -8.994 1.00 25.00 O ATOM 0 H GLY A 9 11.132 36.282 -8.861 1.00 25.00 H new ATOM 0 HA2 GLY A 9 13.677 37.261 -9.067 1.00 25.00 H new ATOM 0 HA3 GLY A 9 13.366 37.310 -7.344 1.00 25.00 H new ATOM 119 N GLU A 10 12.745 34.718 -7.177 1.00 25.00 N ATOM 120 CA GLU A 10 12.893 33.277 -6.925 1.00 25.00 C ATOM 121 C GLU A 10 14.372 32.860 -6.830 1.00 25.00 C ATOM 122 O GLU A 10 14.742 31.727 -7.117 1.00 25.00 O ATOM 123 CB GLU A 10 12.138 32.472 -7.992 1.00 25.00 C ATOM 124 CG GLU A 10 11.592 31.136 -7.477 1.00 25.00 C ATOM 125 CD GLU A 10 10.768 30.394 -8.523 1.00 25.00 C ATOM 126 OE1 GLU A 10 10.278 31.038 -9.477 1.00 25.00 O ATOM 127 OE2 GLU A 10 10.570 29.171 -8.358 1.00 25.00 O ATOM 0 H GLU A 10 12.138 35.190 -6.507 1.00 25.00 H new ATOM 0 HA GLU A 10 12.449 33.054 -5.955 1.00 25.00 H new ATOM 0 HB2 GLU A 10 11.310 33.072 -8.370 1.00 25.00 H new ATOM 0 HB3 GLU A 10 12.805 32.283 -8.833 1.00 25.00 H new ATOM 0 HG2 GLU A 10 12.424 30.506 -7.162 1.00 25.00 H new ATOM 0 HG3 GLU A 10 10.976 31.315 -6.596 1.00 25.00 H new ATOM 134 N ILE A 11 15.202 33.790 -6.361 1.00 25.00 N ATOM 135 CA ILE A 11 16.625 33.632 -6.223 1.00 25.00 C ATOM 136 C ILE A 11 17.047 32.638 -5.151 1.00 25.00 C ATOM 137 O ILE A 11 18.223 32.439 -4.872 1.00 25.00 O ATOM 138 CB ILE A 11 17.249 35.014 -5.890 1.00 25.00 C ATOM 139 CG1 ILE A 11 16.248 36.191 -6.077 1.00 25.00 C ATOM 140 CG2 ILE A 11 18.444 35.224 -6.775 1.00 25.00 C ATOM 141 CD1 ILE A 11 16.808 37.579 -5.701 1.00 25.00 C ATOM 0 H ILE A 11 14.875 34.707 -6.058 1.00 25.00 H new ATOM 0 HA ILE A 11 16.982 33.232 -7.172 1.00 25.00 H new ATOM 0 HB ILE A 11 17.533 35.007 -4.838 1.00 25.00 H new ATOM 0 HG12 ILE A 11 15.926 36.214 -7.118 1.00 25.00 H new ATOM 0 HG13 ILE A 11 15.362 35.996 -5.473 1.00 25.00 H new ATOM 0 HG21 ILE A 11 18.895 36.191 -6.554 1.00 25.00 H new ATOM 0 HG22 ILE A 11 19.173 34.434 -6.595 1.00 25.00 H new ATOM 0 HG23 ILE A 11 18.132 35.199 -7.819 1.00 25.00 H new ATOM 0 HD11 ILE A 11 16.041 38.337 -5.863 1.00 25.00 H new ATOM 0 HD12 ILE A 11 17.103 37.580 -4.652 1.00 25.00 H new ATOM 0 HD13 ILE A 11 17.676 37.802 -6.322 1.00 25.00 H new ATOM 153 N THR A 12 16.052 31.983 -4.595 1.00 25.00 N ATOM 154 CA THR A 12 16.260 30.888 -3.654 1.00 25.00 C ATOM 155 C THR A 12 16.685 29.665 -4.465 1.00 25.00 C ATOM 156 O THR A 12 17.340 28.747 -3.968 1.00 25.00 O ATOM 157 CB THR A 12 14.977 30.611 -2.820 1.00 25.00 C ATOM 158 OG1 THR A 12 15.292 29.774 -1.705 1.00 25.00 O ATOM 159 CG2 THR A 12 13.873 29.942 -3.644 1.00 25.00 C ATOM 0 H THR A 12 15.070 32.190 -4.779 1.00 25.00 H new ATOM 0 HA THR A 12 17.037 31.145 -2.934 1.00 25.00 H new ATOM 0 HB THR A 12 14.605 31.579 -2.483 1.00 25.00 H new ATOM 0 HG1 THR A 12 15.990 30.198 -1.164 1.00 25.00 H new ATOM 0 HG21 THR A 12 13.001 29.771 -3.013 1.00 25.00 H new ATOM 0 HG22 THR A 12 13.598 30.589 -4.477 1.00 25.00 H new ATOM 0 HG23 THR A 12 14.234 28.988 -4.030 1.00 25.00 H new ATOM 167 N SER A 13 16.361 29.693 -5.750 1.00 25.00 N ATOM 168 CA SER A 13 16.823 28.675 -6.677 1.00 25.00 C ATOM 169 C SER A 13 18.154 29.161 -7.241 1.00 25.00 C ATOM 170 O SER A 13 18.292 30.310 -7.649 1.00 25.00 O ATOM 171 CB SER A 13 15.801 28.438 -7.797 1.00 25.00 C ATOM 172 OG SER A 13 15.651 29.575 -8.632 1.00 25.00 O ATOM 0 H SER A 13 15.777 30.414 -6.174 1.00 25.00 H new ATOM 0 HA SER A 13 16.946 27.719 -6.167 1.00 25.00 H new ATOM 0 HB2 SER A 13 16.115 27.585 -8.399 1.00 25.00 H new ATOM 0 HB3 SER A 13 14.837 28.181 -7.359 1.00 25.00 H new ATOM 0 HG SER A 13 15.299 30.323 -8.106 1.00 25.00 H new ATOM 178 N SER A 14 19.153 28.293 -7.222 1.00 25.00 N ATOM 179 CA SER A 14 20.488 28.651 -7.704 1.00 25.00 C ATOM 180 C SER A 14 21.179 27.475 -8.405 1.00 25.00 C ATOM 181 O SER A 14 22.249 27.041 -7.987 1.00 25.00 O ATOM 182 CB SER A 14 21.323 29.143 -6.518 1.00 25.00 C ATOM 183 OG SER A 14 21.204 28.256 -5.417 1.00 25.00 O ATOM 0 H SER A 14 19.070 27.336 -6.880 1.00 25.00 H new ATOM 0 HA SER A 14 20.392 29.443 -8.446 1.00 25.00 H new ATOM 0 HB2 SER A 14 22.369 29.226 -6.813 1.00 25.00 H new ATOM 0 HB3 SER A 14 20.995 30.140 -6.225 1.00 25.00 H new ATOM 0 HG SER A 14 21.746 28.587 -4.670 1.00 25.00 H new ATOM 189 N PRO A 15 20.588 26.955 -9.502 1.00 25.00 N ATOM 190 CA PRO A 15 21.266 25.801 -10.111 1.00 25.00 C ATOM 191 C PRO A 15 22.621 26.140 -10.734 1.00 25.00 C ATOM 192 O PRO A 15 23.552 25.354 -10.661 1.00 25.00 O ATOM 193 CB PRO A 15 20.262 25.331 -11.170 1.00 25.00 C ATOM 194 CG PRO A 15 19.505 26.563 -11.538 1.00 25.00 C ATOM 195 CD PRO A 15 19.351 27.301 -10.233 1.00 25.00 C ATOM 0 HA PRO A 15 21.515 25.042 -9.369 1.00 25.00 H new ATOM 0 HB2 PRO A 15 20.768 24.903 -12.035 1.00 25.00 H new ATOM 0 HB3 PRO A 15 19.599 24.561 -10.775 1.00 25.00 H new ATOM 0 HG2 PRO A 15 20.046 27.160 -12.272 1.00 25.00 H new ATOM 0 HG3 PRO A 15 18.537 26.320 -11.976 1.00 25.00 H new ATOM 0 HD2 PRO A 15 19.261 28.376 -10.387 1.00 25.00 H new ATOM 0 HD3 PRO A 15 18.461 26.981 -9.692 1.00 25.00 H new ATOM 203 N GLN A 16 22.756 27.336 -11.292 1.00 25.00 N ATOM 204 CA GLN A 16 24.037 27.761 -11.860 1.00 25.00 C ATOM 205 C GLN A 16 24.994 28.167 -10.738 1.00 25.00 C ATOM 206 O GLN A 16 26.187 28.269 -10.938 1.00 25.00 O ATOM 207 CB GLN A 16 23.838 28.929 -12.830 1.00 25.00 C ATOM 208 CG GLN A 16 22.925 28.585 -14.009 1.00 25.00 C ATOM 209 CD GLN A 16 22.928 29.653 -15.087 1.00 25.00 C ATOM 210 OE1 GLN A 16 23.240 29.387 -16.230 1.00 25.00 O ATOM 211 NE2 GLN A 16 22.561 30.857 -14.729 1.00 25.00 N ATOM 0 H GLN A 16 22.007 28.024 -11.365 1.00 25.00 H new ATOM 0 HA GLN A 16 24.466 26.925 -12.413 1.00 25.00 H new ATOM 0 HB2 GLN A 16 23.417 29.775 -12.288 1.00 25.00 H new ATOM 0 HB3 GLN A 16 24.809 29.246 -13.211 1.00 25.00 H new ATOM 0 HG2 GLN A 16 23.242 27.637 -14.443 1.00 25.00 H new ATOM 0 HG3 GLN A 16 21.907 28.445 -13.645 1.00 25.00 H new ATOM 0 HE21 GLN A 16 22.305 31.045 -13.760 1.00 25.00 H new ATOM 0 HE22 GLN A 16 22.531 31.607 -15.419 1.00 25.00 H new ATOM 220 N GLY A 17 24.461 28.359 -9.540 1.00 25.00 N ATOM 221 CA GLY A 17 25.291 28.721 -8.402 1.00 25.00 C ATOM 222 C GLY A 17 26.104 27.539 -7.915 1.00 25.00 C ATOM 223 O GLY A 17 27.096 27.704 -7.214 1.00 25.00 O ATOM 0 H GLY A 17 23.466 28.271 -9.332 1.00 25.00 H new ATOM 0 HA2 GLY A 17 25.960 29.535 -8.682 1.00 25.00 H new ATOM 0 HA3 GLY A 17 24.661 29.090 -7.593 1.00 25.00 H new ATOM 227 N LEU A 18 25.691 26.341 -8.311 1.00 25.00 N ATOM 228 CA LEU A 18 26.418 25.124 -7.953 1.00 25.00 C ATOM 229 C LEU A 18 27.715 25.055 -8.749 1.00 25.00 C ATOM 230 O LEU A 18 28.738 24.599 -8.256 1.00 25.00 O ATOM 231 CB LEU A 18 25.574 23.884 -8.269 1.00 25.00 C ATOM 232 CG LEU A 18 24.184 23.835 -7.620 1.00 25.00 C ATOM 233 CD1 LEU A 18 23.422 22.615 -8.130 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.265 23.794 -6.088 1.00 25.00 C ATOM 0 H LEU A 18 24.859 26.184 -8.879 1.00 25.00 H new ATOM 0 HA LEU A 18 26.634 25.148 -6.885 1.00 25.00 H new ATOM 0 HB2 LEU A 18 25.451 23.818 -9.350 1.00 25.00 H new ATOM 0 HB3 LEU A 18 26.131 23.000 -7.957 1.00 25.00 H new ATOM 0 HG LEU A 18 23.656 24.748 -7.897 1.00 25.00 H new ATOM 0 HD11 LEU A 18 22.435 22.583 -7.668 1.00 25.00 H new ATOM 0 HD12 LEU A 18 23.313 22.680 -9.213 1.00 25.00 H new ATOM 0 HD13 LEU A 18 23.972 21.709 -7.875 1.00 25.00 H new ATOM 0 HD21 LEU A 18 23.258 23.760 -5.671 1.00 25.00 H new ATOM 0 HD22 LEU A 18 24.817 22.907 -5.776 1.00 25.00 H new ATOM 0 HD23 LEU A 18 24.777 24.686 -5.727 1.00 25.00 H new ATOM 246 N ASP A 19 27.643 25.523 -9.986 1.00 25.00 N ATOM 247 CA ASP A 19 28.796 25.550 -10.886 1.00 25.00 C ATOM 248 C ASP A 19 29.634 26.796 -10.612 1.00 25.00 C ATOM 249 O ASP A 19 30.850 26.811 -10.774 1.00 25.00 O ATOM 250 CB ASP A 19 28.300 25.579 -12.328 1.00 25.00 C ATOM 251 CG ASP A 19 29.421 25.381 -13.331 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.599 26.251 -14.209 1.00 25.00 O ATOM 253 OD2 ASP A 19 30.103 24.336 -13.261 1.00 25.00 O ATOM 0 H ASP A 19 26.787 25.895 -10.398 1.00 25.00 H new ATOM 0 HA ASP A 19 29.409 24.663 -10.722 1.00 25.00 H new ATOM 0 HB2 ASP A 19 27.550 24.800 -12.467 1.00 25.00 H new ATOM 0 HB3 ASP A 19 27.808 26.532 -12.521 1.00 25.00 H new ATOM 258 N ASN A 20 28.962 27.844 -10.156 1.00 25.00 N ATOM 259 CA ASN A 20 29.612 29.104 -9.824 1.00 25.00 C ATOM 260 C ASN A 20 29.551 29.425 -8.332 1.00 25.00 C ATOM 261 O ASN A 20 28.767 30.288 -7.907 1.00 25.00 O ATOM 262 CB ASN A 20 28.933 30.259 -10.567 1.00 25.00 C ATOM 263 CG ASN A 20 29.178 30.250 -12.048 1.00 25.00 C ATOM 264 OD1 ASN A 20 28.249 30.292 -12.831 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.420 30.316 -12.436 1.00 25.00 N ATOM 0 H ASN A 20 27.953 27.845 -10.006 1.00 25.00 H new ATOM 0 HA ASN A 20 30.655 28.993 -10.120 1.00 25.00 H new ATOM 0 HB2 ASN A 20 27.859 30.215 -10.385 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.288 31.203 -10.155 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.640 30.406 -13.428 1.00 25.00 H new ATOM 0 HD22 ASN A 20 31.172 30.277 -11.748 1.00 25.00 H new ATOM 272 N PRO A 21 30.453 28.835 -7.529 1.00 25.00 N ATOM 273 CA PRO A 21 30.489 29.217 -6.112 1.00 25.00 C ATOM 274 C PRO A 21 30.799 30.694 -5.923 1.00 25.00 C ATOM 275 O PRO A 21 30.331 31.305 -4.981 1.00 25.00 O ATOM 276 CB PRO A 21 31.630 28.358 -5.550 1.00 25.00 C ATOM 277 CG PRO A 21 32.454 28.030 -6.721 1.00 25.00 C ATOM 278 CD PRO A 21 31.500 27.846 -7.835 1.00 25.00 C ATOM 0 HA PRO A 21 29.530 29.060 -5.618 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.204 28.902 -4.800 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.249 27.458 -5.068 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.162 28.829 -6.939 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.037 27.125 -6.550 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.965 28.035 -8.802 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.103 26.831 -7.865 1.00 25.00 H new ATOM 286 N ALA A 22 31.575 31.275 -6.829 1.00 25.00 N ATOM 287 CA ALA A 22 31.941 32.682 -6.728 1.00 25.00 C ATOM 288 C ALA A 22 30.713 33.590 -6.811 1.00 25.00 C ATOM 289 O ALA A 22 30.606 34.560 -6.061 1.00 25.00 O ATOM 290 CB ALA A 22 32.944 33.035 -7.831 1.00 25.00 C ATOM 0 H ALA A 22 31.963 30.795 -7.641 1.00 25.00 H new ATOM 0 HA ALA A 22 32.402 32.845 -5.754 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.216 34.088 -7.753 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.838 32.421 -7.720 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.494 32.848 -8.806 1.00 25.00 H new ATOM 296 N LEU A 23 29.798 33.268 -7.717 1.00 25.00 N ATOM 297 CA LEU A 23 28.601 34.082 -7.912 1.00 25.00 C ATOM 298 C LEU A 23 27.590 33.803 -6.813 1.00 25.00 C ATOM 299 O LEU A 23 26.920 34.708 -6.336 1.00 25.00 O ATOM 300 CB LEU A 23 27.951 33.789 -9.276 1.00 25.00 C ATOM 301 CG LEU A 23 28.809 33.965 -10.545 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.935 33.690 -11.770 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.438 35.334 -10.677 1.00 25.00 C ATOM 0 H LEU A 23 29.860 32.453 -8.327 1.00 25.00 H new ATOM 0 HA LEU A 23 28.903 35.129 -7.879 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.590 32.761 -9.259 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.077 34.433 -9.373 1.00 25.00 H new ATOM 0 HG LEU A 23 29.634 33.257 -10.470 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.529 33.811 -12.676 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.551 32.671 -11.722 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.101 34.392 -11.787 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.025 35.378 -11.594 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.656 36.092 -10.710 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.087 35.520 -9.822 1.00 25.00 H new ATOM 315 N LEU A 24 27.483 32.548 -6.396 1.00 25.00 N ATOM 316 CA LEU A 24 26.535 32.197 -5.342 1.00 25.00 C ATOM 317 C LEU A 24 26.959 32.830 -4.022 1.00 25.00 C ATOM 318 O LEU A 24 26.135 33.387 -3.312 1.00 25.00 O ATOM 319 CB LEU A 24 26.419 30.678 -5.200 1.00 25.00 C ATOM 320 CG LEU A 24 25.393 30.186 -4.163 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.022 30.845 -4.331 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.243 28.682 -4.264 1.00 25.00 C ATOM 0 H LEU A 24 28.029 31.768 -6.762 1.00 25.00 H new ATOM 0 HA LEU A 24 25.554 32.585 -5.615 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.157 30.259 -6.171 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.398 30.280 -4.934 1.00 25.00 H new ATOM 0 HG LEU A 24 25.773 30.466 -3.180 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.338 30.461 -3.574 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.121 31.924 -4.217 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.629 30.620 -5.322 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.516 28.339 -3.528 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.900 28.417 -5.264 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.205 28.207 -4.073 1.00 25.00 H new ATOM 334 N ARG A 25 28.254 32.810 -3.738 1.00 25.00 N ATOM 335 CA ARG A 25 28.808 33.481 -2.563 1.00 25.00 C ATOM 336 C ARG A 25 28.392 34.945 -2.565 1.00 25.00 C ATOM 337 O ARG A 25 27.971 35.471 -1.549 1.00 25.00 O ATOM 338 CB ARG A 25 30.344 33.339 -2.594 1.00 25.00 C ATOM 339 CG ARG A 25 31.131 34.066 -1.500 1.00 25.00 C ATOM 340 CD ARG A 25 31.538 35.484 -1.913 1.00 25.00 C ATOM 341 NE ARG A 25 32.387 35.524 -3.116 1.00 25.00 N ATOM 342 CZ ARG A 25 33.708 35.650 -3.123 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.421 35.731 -2.024 1.00 25.00 N ATOM 344 NH2 ARG A 25 34.324 35.697 -4.270 1.00 25.00 N ATOM 0 H ARG A 25 28.950 32.332 -4.310 1.00 25.00 H new ATOM 0 HA ARG A 25 28.428 33.026 -1.649 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.587 32.278 -2.538 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.698 33.697 -3.561 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.527 34.114 -0.594 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.025 33.491 -1.257 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.639 36.074 -2.092 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.070 35.956 -1.087 1.00 25.00 H new ATOM 0 HE ARG A 25 31.920 35.448 -4.020 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.961 35.698 -1.114 1.00 25.00 H new ATOM 0 HH12 ARG A 25 35.435 35.827 -2.080 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.791 35.637 -5.138 1.00 25.00 H new ATOM 0 HH22 ARG A 25 35.339 35.794 -4.300 1.00 25.00 H new ATOM 358 N ASP A 26 28.508 35.596 -3.710 1.00 25.00 N ATOM 359 CA ASP A 26 28.185 37.020 -3.812 1.00 25.00 C ATOM 360 C ASP A 26 26.688 37.279 -3.611 1.00 25.00 C ATOM 361 O ASP A 26 26.295 38.185 -2.882 1.00 25.00 O ATOM 362 CB ASP A 26 28.634 37.547 -5.173 1.00 25.00 C ATOM 363 CG ASP A 26 28.752 39.055 -5.200 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.322 39.619 -4.243 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.351 39.667 -6.210 1.00 25.00 O ATOM 0 H ASP A 26 28.821 35.169 -4.582 1.00 25.00 H new ATOM 0 HA ASP A 26 28.716 37.547 -3.019 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.597 37.106 -5.430 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.923 37.228 -5.935 1.00 25.00 H new ATOM 370 N MET A 27 25.855 36.438 -4.214 1.00 25.00 N ATOM 371 CA MET A 27 24.397 36.557 -4.080 1.00 25.00 C ATOM 372 C MET A 27 23.991 36.422 -2.631 1.00 25.00 C ATOM 373 O MET A 27 23.233 37.220 -2.104 1.00 25.00 O ATOM 374 CB MET A 27 23.708 35.452 -4.887 1.00 25.00 C ATOM 375 CG MET A 27 22.194 35.608 -5.021 1.00 25.00 C ATOM 376 SD MET A 27 21.201 35.152 -3.560 1.00 25.00 S ATOM 377 CE MET A 27 21.283 33.348 -3.580 1.00 25.00 C ATOM 0 H MET A 27 26.160 35.663 -4.803 1.00 25.00 H new ATOM 0 HA MET A 27 24.096 37.536 -4.454 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.146 35.423 -5.885 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.920 34.492 -4.417 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.978 36.647 -5.271 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.861 35.002 -5.864 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.310 32.937 -3.312 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.559 33.007 -4.578 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.030 33.010 -2.862 1.00 25.00 H new ATOM 387 N LEU A 28 24.509 35.387 -1.998 1.00 25.00 N ATOM 388 CA LEU A 28 24.186 35.083 -0.612 1.00 25.00 C ATOM 389 C LEU A 28 24.588 36.205 0.326 1.00 25.00 C ATOM 390 O LEU A 28 23.841 36.561 1.222 1.00 25.00 O ATOM 391 CB LEU A 28 24.890 33.819 -0.196 1.00 25.00 C ATOM 392 CG LEU A 28 24.281 32.542 -0.771 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.248 31.447 -0.523 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.936 32.229 -0.145 1.00 25.00 C ATOM 0 H LEU A 28 25.164 34.733 -2.426 1.00 25.00 H new ATOM 0 HA LEU A 28 23.105 34.960 -0.547 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.934 33.880 -0.504 1.00 25.00 H new ATOM 0 HB3 LEU A 28 24.882 33.754 0.892 1.00 25.00 H new ATOM 0 HG LEU A 28 24.098 32.664 -1.839 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.850 30.513 -0.920 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.193 31.677 -1.016 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.414 31.344 0.549 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.536 31.313 -0.581 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.057 32.096 0.930 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.247 33.052 -0.334 1.00 25.00 H new ATOM 406 N LEU A 29 25.762 36.777 0.111 1.00 25.00 N ATOM 407 CA LEU A 29 26.229 37.886 0.954 1.00 25.00 C ATOM 408 C LEU A 29 25.313 39.090 0.801 1.00 25.00 C ATOM 409 O LEU A 29 25.041 39.808 1.761 1.00 25.00 O ATOM 410 CB LEU A 29 27.651 38.295 0.568 1.00 25.00 C ATOM 411 CG LEU A 29 28.772 37.348 1.017 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.046 37.713 0.283 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.004 37.399 2.527 1.00 25.00 C ATOM 0 H LEU A 29 26.408 36.502 -0.629 1.00 25.00 H new ATOM 0 HA LEU A 29 26.218 37.546 1.990 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.698 38.392 -0.517 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.849 39.283 0.985 1.00 25.00 H new ATOM 0 HG LEU A 29 28.472 36.328 0.776 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.850 37.046 0.595 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.888 37.614 -0.791 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.318 38.742 0.516 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.806 36.712 2.795 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.281 38.412 2.819 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.090 37.110 3.046 1.00 25.00 H new ATOM 425 N ALA A 30 24.828 39.293 -0.413 1.00 25.00 N ATOM 426 CA ALA A 30 23.933 40.402 -0.713 1.00 25.00 C ATOM 427 C ALA A 30 22.489 40.112 -0.276 1.00 25.00 C ATOM 428 O ALA A 30 21.638 41.004 -0.314 1.00 25.00 O ATOM 429 CB ALA A 30 23.979 40.699 -2.221 1.00 25.00 C ATOM 0 H ALA A 30 25.041 38.699 -1.214 1.00 25.00 H new ATOM 0 HA ALA A 30 24.272 41.271 -0.150 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.310 41.529 -2.449 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.996 40.964 -2.509 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.663 39.815 -2.776 1.00 25.00 H new ATOM 435 N ASN A 31 22.198 38.873 0.102 1.00 25.00 N ATOM 436 CA ASN A 31 20.831 38.476 0.431 1.00 25.00 C ATOM 437 C ASN A 31 20.684 38.069 1.901 1.00 25.00 C ATOM 438 O ASN A 31 20.932 36.918 2.268 1.00 25.00 O ATOM 439 CB ASN A 31 20.413 37.326 -0.477 1.00 25.00 C ATOM 440 CG ASN A 31 18.929 37.122 -0.495 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.244 37.286 0.515 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.416 36.761 -1.637 1.00 25.00 N ATOM 0 H ASN A 31 22.887 38.126 0.189 1.00 25.00 H new ATOM 0 HA ASN A 31 20.181 39.337 0.272 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.762 37.522 -1.491 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.899 36.409 -0.144 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.411 36.603 -1.718 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.019 36.636 -2.450 1.00 25.00 H new ATOM 449 N PRO A 32 20.240 39.000 2.763 1.00 25.00 N ATOM 450 CA PRO A 32 20.166 38.666 4.191 1.00 25.00 C ATOM 451 C PRO A 32 19.174 37.556 4.551 1.00 25.00 C ATOM 452 O PRO A 32 19.344 36.876 5.559 1.00 25.00 O ATOM 453 CB PRO A 32 19.771 40.001 4.832 1.00 25.00 C ATOM 454 CG PRO A 32 19.051 40.727 3.752 1.00 25.00 C ATOM 455 CD PRO A 32 19.824 40.395 2.520 1.00 25.00 C ATOM 0 HA PRO A 32 21.111 38.253 4.544 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.134 39.851 5.704 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.647 40.555 5.169 1.00 25.00 H new ATOM 0 HG2 PRO A 32 18.014 40.400 3.673 1.00 25.00 H new ATOM 0 HG3 PRO A 32 19.034 41.801 3.935 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.213 40.484 1.622 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.681 41.056 2.389 1.00 25.00 H new ATOM 463 N HIS A 33 18.149 37.356 3.737 1.00 25.00 N ATOM 464 CA HIS A 33 17.177 36.294 3.996 1.00 25.00 C ATOM 465 C HIS A 33 17.756 34.934 3.629 1.00 25.00 C ATOM 466 O HIS A 33 17.580 33.948 4.342 1.00 25.00 O ATOM 467 CB HIS A 33 15.913 36.539 3.169 1.00 25.00 C ATOM 468 CG HIS A 33 14.865 35.486 3.351 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.987 35.438 4.404 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.559 34.399 2.588 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.209 34.370 4.249 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.509 33.702 3.154 1.00 25.00 N ATOM 0 H HIS A 33 17.966 37.907 2.898 1.00 25.00 H new ATOM 0 HA HIS A 33 16.935 36.302 5.059 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.494 37.508 3.440 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.183 36.592 2.114 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.064 34.123 1.674 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.427 34.085 4.937 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.063 32.855 2.801 1.00 25.00 H new ATOM 480 N GLU A 34 18.441 34.887 2.500 1.00 25.00 N ATOM 481 CA GLU A 34 18.965 33.633 1.978 1.00 25.00 C ATOM 482 C GLU A 34 20.122 33.188 2.847 1.00 25.00 C ATOM 483 O GLU A 34 20.235 32.033 3.213 1.00 25.00 O ATOM 484 CB GLU A 34 19.429 33.819 0.539 1.00 25.00 C ATOM 485 CG GLU A 34 18.516 33.195 -0.507 1.00 25.00 C ATOM 486 CD GLU A 34 18.479 31.674 -0.430 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.541 31.046 -0.244 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.375 31.107 -0.568 1.00 25.00 O ATOM 0 H GLU A 34 18.649 35.703 1.925 1.00 25.00 H new ATOM 0 HA GLU A 34 18.184 32.873 1.991 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.518 34.886 0.335 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.426 33.391 0.434 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.506 33.585 -0.380 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.851 33.495 -1.500 1.00 25.00 H new ATOM 495 N LEU A 35 20.952 34.133 3.245 1.00 25.00 N ATOM 496 CA LEU A 35 22.079 33.824 4.109 1.00 25.00 C ATOM 497 C LEU A 35 21.596 33.316 5.475 1.00 25.00 C ATOM 498 O LEU A 35 22.261 32.501 6.108 1.00 25.00 O ATOM 499 CB LEU A 35 23.000 35.029 4.182 1.00 25.00 C ATOM 500 CG LEU A 35 22.849 36.170 5.188 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.111 35.798 6.637 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.847 37.203 4.730 1.00 25.00 C ATOM 0 H LEU A 35 20.870 35.116 2.987 1.00 25.00 H new ATOM 0 HA LEU A 35 22.665 33.005 3.693 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.006 34.633 4.322 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.974 35.490 3.195 1.00 25.00 H new ATOM 0 HG LEU A 35 21.813 36.510 5.197 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.978 36.677 7.268 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.412 35.020 6.945 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.132 35.430 6.739 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.810 38.065 5.396 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.849 36.774 4.747 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.604 37.518 3.715 1.00 25.00 H new ATOM 514 N SER A 36 20.431 33.781 5.910 1.00 25.00 N ATOM 515 CA SER A 36 19.835 33.351 7.176 1.00 25.00 C ATOM 516 C SER A 36 19.300 31.929 7.071 1.00 25.00 C ATOM 517 O SER A 36 19.539 31.109 7.941 1.00 25.00 O ATOM 518 CB SER A 36 18.704 34.290 7.597 1.00 25.00 C ATOM 519 OG SER A 36 18.289 34.015 8.926 1.00 25.00 O ATOM 0 H SER A 36 19.872 34.465 5.400 1.00 25.00 H new ATOM 0 HA SER A 36 20.620 33.381 7.932 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.038 35.325 7.522 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.860 34.177 6.917 1.00 25.00 H new ATOM 0 HG SER A 36 17.566 34.627 9.176 1.00 25.00 H new ATOM 525 N LEU A 37 18.617 31.607 5.987 1.00 25.00 N ATOM 526 CA LEU A 37 18.112 30.245 5.817 1.00 25.00 C ATOM 527 C LEU A 37 19.244 29.296 5.649 1.00 25.00 C ATOM 528 O LEU A 37 19.169 28.137 5.998 1.00 25.00 O ATOM 529 CB LEU A 37 17.149 30.158 4.656 1.00 25.00 C ATOM 530 CG LEU A 37 17.474 30.239 3.160 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.223 29.033 2.614 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.123 30.412 2.456 1.00 25.00 C ATOM 0 H LEU A 37 18.400 32.249 5.224 1.00 25.00 H new ATOM 0 HA LEU A 37 17.561 29.969 6.716 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.631 29.207 4.785 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.417 30.946 4.832 1.00 25.00 H new ATOM 0 HG LEU A 37 18.156 31.071 2.981 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.412 29.173 1.550 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.172 28.925 3.140 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.623 28.135 2.761 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.280 30.477 1.379 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.485 29.557 2.679 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.643 31.325 2.809 1.00 25.00 H new ATOM 544 N LEU A 38 20.306 29.802 5.083 1.00 25.00 N ATOM 545 CA LEU A 38 21.479 29.015 4.851 1.00 25.00 C ATOM 546 C LEU A 38 22.160 28.607 6.142 1.00 25.00 C ATOM 547 O LEU A 38 22.530 27.462 6.296 1.00 25.00 O ATOM 548 CB LEU A 38 22.396 29.823 3.981 1.00 25.00 C ATOM 549 CG LEU A 38 23.642 29.077 3.495 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.266 27.950 2.563 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.587 30.032 2.821 1.00 25.00 C ATOM 0 H LEU A 38 20.379 30.770 4.771 1.00 25.00 H new ATOM 0 HA LEU A 38 21.205 28.083 4.357 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.837 30.172 3.113 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.712 30.708 4.533 1.00 25.00 H new ATOM 0 HG LEU A 38 24.143 28.642 4.360 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.168 27.436 2.232 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.618 27.246 3.086 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.740 28.353 1.698 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.469 29.491 2.480 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.091 30.493 1.967 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.887 30.806 3.527 1.00 25.00 H new ATOM 563 N LYS A 39 22.283 29.513 7.098 1.00 25.00 N ATOM 564 CA LYS A 39 22.839 29.127 8.409 1.00 25.00 C ATOM 565 C LYS A 39 21.892 28.216 9.178 1.00 25.00 C ATOM 566 O LYS A 39 22.342 27.390 9.959 1.00 25.00 O ATOM 567 CB LYS A 39 23.255 30.339 9.260 1.00 25.00 C ATOM 568 CG LYS A 39 22.243 31.475 9.322 1.00 25.00 C ATOM 569 CD LYS A 39 22.601 32.537 10.347 1.00 25.00 C ATOM 570 CE LYS A 39 23.785 33.382 9.881 1.00 25.00 C ATOM 571 NZ LYS A 39 24.086 34.474 10.865 1.00 25.00 N ATOM 0 H LYS A 39 22.018 30.494 7.009 1.00 25.00 H new ATOM 0 HA LYS A 39 23.748 28.564 8.197 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.453 29.997 10.276 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.193 30.732 8.867 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.166 31.939 8.339 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.261 31.066 9.559 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.739 33.181 10.523 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.843 32.061 11.297 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.663 32.748 9.757 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.565 33.817 8.906 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.894 35.034 10.526 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.255 35.091 10.964 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.318 34.055 11.788 1.00 25.00 H new ATOM 585 N GLU A 40 20.599 28.325 8.921 1.00 25.00 N ATOM 586 CA GLU A 40 19.622 27.438 9.552 1.00 25.00 C ATOM 587 C GLU A 40 19.655 26.036 8.932 1.00 25.00 C ATOM 588 O GLU A 40 19.727 25.034 9.638 1.00 25.00 O ATOM 589 CB GLU A 40 18.218 28.016 9.371 1.00 25.00 C ATOM 590 CG GLU A 40 17.944 29.256 10.214 1.00 25.00 C ATOM 591 CD GLU A 40 16.641 29.947 9.822 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.966 29.478 8.874 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.308 30.977 10.447 1.00 25.00 O ATOM 0 H GLU A 40 20.198 29.013 8.284 1.00 25.00 H new ATOM 0 HA GLU A 40 19.875 27.360 10.609 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.071 28.264 8.320 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.485 27.249 9.623 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.901 28.975 11.266 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.772 29.957 10.105 1.00 25.00 H new ATOM 600 N ARG A 41 19.559 25.964 7.610 1.00 25.00 N ATOM 601 CA ARG A 41 19.465 24.667 6.913 1.00 25.00 C ATOM 602 C ARG A 41 20.799 24.014 6.557 1.00 25.00 C ATOM 603 O ARG A 41 20.870 22.798 6.404 1.00 25.00 O ATOM 604 CB ARG A 41 18.629 24.820 5.639 1.00 25.00 C ATOM 605 CG ARG A 41 17.227 25.349 5.923 1.00 25.00 C ATOM 606 CD ARG A 41 16.191 24.831 4.919 1.00 25.00 C ATOM 607 NE ARG A 41 16.335 25.397 3.562 1.00 25.00 N ATOM 608 CZ ARG A 41 15.674 26.453 3.092 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.834 27.141 3.829 1.00 25.00 N ATOM 610 NH2 ARG A 41 15.856 26.818 1.853 1.00 25.00 N ATOM 0 H ARG A 41 19.543 26.777 6.994 1.00 25.00 H new ATOM 0 HA ARG A 41 18.991 23.998 7.631 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.138 25.497 4.953 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.556 23.855 5.138 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.929 25.058 6.930 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.241 26.439 5.897 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.269 23.745 4.859 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.193 25.059 5.293 1.00 25.00 H new ATOM 0 HE ARG A 41 16.996 24.941 2.933 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.668 26.872 4.799 1.00 25.00 H new ATOM 0 HH12 ARG A 41 14.347 27.944 3.432 1.00 25.00 H new ATOM 0 HH21 ARG A 41 16.498 26.296 1.257 1.00 25.00 H new ATOM 0 HH22 ARG A 41 15.356 27.625 1.480 1.00 25.00 H new ATOM 624 N ASN A 42 21.836 24.813 6.389 1.00 25.00 N ATOM 625 CA ASN A 42 23.173 24.307 6.031 1.00 25.00 C ATOM 626 C ASN A 42 24.309 25.014 6.782 1.00 25.00 C ATOM 627 O ASN A 42 25.123 25.719 6.165 1.00 25.00 O ATOM 628 CB ASN A 42 23.419 24.478 4.528 1.00 25.00 C ATOM 629 CG ASN A 42 24.515 23.579 4.017 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.189 22.906 4.774 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.689 23.554 2.732 1.00 25.00 N ATOM 0 H ASN A 42 21.789 25.827 6.493 1.00 25.00 H new ATOM 0 HA ASN A 42 23.180 23.255 6.316 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.497 24.266 3.986 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.679 25.516 4.321 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.409 22.957 2.326 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.105 24.132 2.127 1.00 25.00 H new ATOM 638 N PRO A 43 24.406 24.825 8.109 1.00 25.00 N ATOM 639 CA PRO A 43 25.489 25.546 8.794 1.00 25.00 C ATOM 640 C PRO A 43 26.940 25.362 8.276 1.00 25.00 C ATOM 641 O PRO A 43 27.684 26.342 8.263 1.00 25.00 O ATOM 642 CB PRO A 43 25.334 25.110 10.259 1.00 25.00 C ATOM 643 CG PRO A 43 24.513 23.864 10.221 1.00 25.00 C ATOM 644 CD PRO A 43 23.592 24.037 9.054 1.00 25.00 C ATOM 0 HA PRO A 43 25.372 26.614 8.610 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.305 24.926 10.718 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.844 25.885 10.849 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.141 22.982 10.099 1.00 25.00 H new ATOM 0 HG3 PRO A 43 23.954 23.732 11.148 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.293 23.079 8.629 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.678 24.560 9.334 1.00 25.00 H new ATOM 652 N PRO A 44 27.353 24.156 7.797 1.00 25.00 N ATOM 653 CA PRO A 44 28.744 24.198 7.315 1.00 25.00 C ATOM 654 C PRO A 44 28.985 25.012 6.028 1.00 25.00 C ATOM 655 O PRO A 44 30.060 25.580 5.855 1.00 25.00 O ATOM 656 CB PRO A 44 29.075 22.720 7.097 1.00 25.00 C ATOM 657 CG PRO A 44 27.789 22.109 6.755 1.00 25.00 C ATOM 658 CD PRO A 44 26.798 22.795 7.660 1.00 25.00 C ATOM 0 HA PRO A 44 29.378 24.715 8.035 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.803 22.589 6.297 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.503 22.272 7.994 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.542 22.264 5.705 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.803 21.032 6.924 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.799 22.810 7.225 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.719 22.293 8.624 1.00 25.00 H new ATOM 666 N LEU A 45 28.012 25.106 5.124 1.00 25.00 N ATOM 667 CA LEU A 45 28.209 25.953 3.942 1.00 25.00 C ATOM 668 C LEU A 45 28.066 27.403 4.374 1.00 25.00 C ATOM 669 O LEU A 45 28.724 28.298 3.852 1.00 25.00 O ATOM 670 CB LEU A 45 27.212 25.622 2.832 1.00 25.00 C ATOM 671 CG LEU A 45 27.410 26.368 1.494 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.813 26.162 0.904 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.367 25.884 0.487 1.00 25.00 C ATOM 0 H LEU A 45 27.112 24.629 5.178 1.00 25.00 H new ATOM 0 HA LEU A 45 29.203 25.772 3.532 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.259 24.551 2.637 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.208 25.836 3.198 1.00 25.00 H new ATOM 0 HG LEU A 45 27.293 27.433 1.696 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.896 26.708 -0.035 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.561 26.531 1.606 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.979 25.100 0.722 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.504 26.408 -0.459 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.485 24.812 0.328 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.368 26.086 0.873 1.00 25.00 H new ATOM 685 N ALA A 46 27.214 27.628 5.358 1.00 25.00 N ATOM 686 CA ALA A 46 27.030 28.967 5.880 1.00 25.00 C ATOM 687 C ALA A 46 28.294 29.529 6.530 1.00 25.00 C ATOM 688 O ALA A 46 28.646 30.653 6.246 1.00 25.00 O ATOM 689 CB ALA A 46 25.904 28.986 6.858 1.00 25.00 C ATOM 0 H ALA A 46 26.645 26.910 5.806 1.00 25.00 H new ATOM 0 HA ALA A 46 26.795 29.608 5.030 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.774 29.997 7.244 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.987 28.666 6.363 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.127 28.309 7.682 1.00 25.00 H new ATOM 695 N GLU A 47 28.968 28.779 7.397 1.00 25.00 N ATOM 696 CA GLU A 47 30.160 29.309 8.093 1.00 25.00 C ATOM 697 C GLU A 47 31.245 29.696 7.087 1.00 25.00 C ATOM 698 O GLU A 47 31.986 30.667 7.279 1.00 25.00 O ATOM 699 CB GLU A 47 30.712 28.318 9.130 1.00 25.00 C ATOM 700 CG GLU A 47 31.262 27.026 8.550 1.00 25.00 C ATOM 701 CD GLU A 47 31.980 26.189 9.582 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.223 26.325 9.680 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.321 25.393 10.282 1.00 25.00 O ATOM 0 H GLU A 47 28.724 27.819 7.639 1.00 25.00 H new ATOM 0 HA GLU A 47 29.847 30.202 8.633 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.502 28.810 9.697 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.918 28.073 9.836 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.444 26.446 8.122 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.948 27.260 7.735 1.00 25.00 H new ATOM 710 N ALA A 48 31.281 28.972 5.980 1.00 25.00 N ATOM 711 CA ALA A 48 32.157 29.263 4.886 1.00 25.00 C ATOM 712 C ALA A 48 31.868 30.645 4.303 1.00 25.00 C ATOM 713 O ALA A 48 32.781 31.433 4.065 1.00 25.00 O ATOM 714 CB ALA A 48 31.989 28.172 3.835 1.00 25.00 C ATOM 0 H ALA A 48 30.689 28.156 5.826 1.00 25.00 H new ATOM 0 HA ALA A 48 33.190 29.279 5.234 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.649 28.375 2.991 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.243 27.205 4.270 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.955 28.154 3.491 1.00 25.00 H new ATOM 720 N LEU A 49 30.591 30.946 4.129 1.00 25.00 N ATOM 721 CA LEU A 49 30.161 32.241 3.625 1.00 25.00 C ATOM 722 C LEU A 49 30.487 33.347 4.626 1.00 25.00 C ATOM 723 O LEU A 49 30.915 34.429 4.244 1.00 25.00 O ATOM 724 CB LEU A 49 28.646 32.221 3.393 1.00 25.00 C ATOM 725 CG LEU A 49 28.070 33.471 2.725 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.275 33.386 1.228 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.595 33.605 3.063 1.00 25.00 C ATOM 0 H LEU A 49 29.826 30.303 4.332 1.00 25.00 H new ATOM 0 HA LEU A 49 30.687 32.438 2.691 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.401 31.355 2.778 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.150 32.081 4.353 1.00 25.00 H new ATOM 0 HG LEU A 49 28.587 34.356 3.097 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.864 34.277 0.753 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.341 33.317 1.010 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.768 32.502 0.841 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.192 34.497 2.584 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.058 32.727 2.705 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.475 33.688 4.143 1.00 25.00 H new ATOM 739 N LEU A 50 30.276 33.068 5.908 1.00 25.00 N ATOM 740 CA LEU A 50 30.458 34.077 6.962 1.00 25.00 C ATOM 741 C LEU A 50 31.907 34.525 7.048 1.00 25.00 C ATOM 742 O LEU A 50 32.203 35.640 7.454 1.00 25.00 O ATOM 743 CB LEU A 50 30.053 33.538 8.345 1.00 25.00 C ATOM 744 CG LEU A 50 28.684 32.869 8.540 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.392 32.715 10.018 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.541 33.582 7.828 1.00 25.00 C ATOM 0 H LEU A 50 29.979 32.154 6.249 1.00 25.00 H new ATOM 0 HA LEU A 50 29.817 34.916 6.692 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.812 32.816 8.646 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.109 34.371 9.046 1.00 25.00 H new ATOM 0 HG LEU A 50 28.747 31.887 8.072 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.420 32.240 10.149 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.163 32.097 10.479 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.383 33.697 10.491 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.608 33.050 8.014 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.458 34.602 8.204 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.738 33.606 6.756 1.00 25.00 H new ATOM 758 N SER A 51 32.809 33.630 6.682 1.00 25.00 N ATOM 759 CA SER A 51 34.228 33.909 6.722 1.00 25.00 C ATOM 760 C SER A 51 34.669 34.797 5.558 1.00 25.00 C ATOM 761 O SER A 51 35.719 35.423 5.615 1.00 25.00 O ATOM 762 CB SER A 51 34.967 32.600 6.635 1.00 25.00 C ATOM 763 OG SER A 51 34.584 31.716 7.682 1.00 25.00 O ATOM 0 H SER A 51 32.576 32.694 6.350 1.00 25.00 H new ATOM 0 HA SER A 51 34.449 34.437 7.650 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.768 32.132 5.671 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.040 32.783 6.686 1.00 25.00 H new ATOM 0 HG SER A 51 33.681 31.376 7.509 1.00 25.00 H new ATOM 769 N GLY A 52 33.891 34.794 4.482 1.00 25.00 N ATOM 770 CA GLY A 52 34.208 35.589 3.301 1.00 25.00 C ATOM 771 C GLY A 52 35.104 34.854 2.322 1.00 25.00 C ATOM 772 O GLY A 52 35.145 35.174 1.129 1.00 25.00 O ATOM 0 H GLY A 52 33.033 34.248 4.403 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.282 35.871 2.799 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.696 36.513 3.611 1.00 25.00 H new ATOM 776 N ASP A 53 35.812 33.855 2.829 1.00 25.00 N ATOM 777 CA ASP A 53 36.728 33.049 2.027 1.00 25.00 C ATOM 778 C ASP A 53 36.002 32.286 0.925 1.00 25.00 C ATOM 779 O ASP A 53 35.195 31.392 1.198 1.00 25.00 O ATOM 780 CB ASP A 53 37.438 32.017 2.893 1.00 25.00 C ATOM 781 CG ASP A 53 38.495 31.272 2.131 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.928 31.761 1.068 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.826 30.147 2.541 1.00 25.00 O ATOM 0 H ASP A 53 35.769 33.578 3.810 1.00 25.00 H new ATOM 0 HA ASP A 53 37.439 33.748 1.586 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.892 32.514 3.750 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.708 31.309 3.285 1.00 25.00 H new ATOM 788 N LEU A 54 36.325 32.589 -0.322 1.00 25.00 N ATOM 789 CA LEU A 54 35.741 31.859 -1.436 1.00 25.00 C ATOM 790 C LEU A 54 36.249 30.432 -1.421 1.00 25.00 C ATOM 791 O LEU A 54 35.512 29.519 -1.736 1.00 25.00 O ATOM 792 CB LEU A 54 36.102 32.505 -2.775 1.00 25.00 C ATOM 793 CG LEU A 54 35.461 31.924 -4.057 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.285 30.791 -4.680 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.001 31.472 -3.868 1.00 25.00 C ATOM 0 H LEU A 54 36.979 33.325 -0.587 1.00 25.00 H new ATOM 0 HA LEU A 54 34.657 31.879 -1.325 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.838 33.561 -2.718 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.185 32.453 -2.890 1.00 25.00 H new ATOM 0 HG LEU A 54 35.456 32.763 -4.753 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.783 30.426 -5.576 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.274 31.164 -4.945 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.385 29.977 -3.962 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.618 31.076 -4.809 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.956 30.697 -3.103 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.394 32.323 -3.559 1.00 25.00 H new ATOM 807 N GLU A 55 37.505 30.234 -1.069 1.00 25.00 N ATOM 808 CA GLU A 55 38.093 28.900 -1.135 1.00 25.00 C ATOM 809 C GLU A 55 37.327 27.953 -0.235 1.00 25.00 C ATOM 810 O GLU A 55 36.866 26.908 -0.683 1.00 25.00 O ATOM 811 CB GLU A 55 39.561 28.925 -0.726 1.00 25.00 C ATOM 812 CG GLU A 55 40.412 29.889 -1.520 1.00 25.00 C ATOM 813 CD GLU A 55 40.672 29.412 -2.948 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.808 28.982 -3.236 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.741 29.481 -3.786 1.00 25.00 O ATOM 0 H GLU A 55 38.134 30.965 -0.738 1.00 25.00 H new ATOM 0 HA GLU A 55 38.031 28.553 -2.167 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.627 29.185 0.330 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.973 27.922 -0.833 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.920 30.861 -1.551 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.365 30.030 -1.010 1.00 25.00 H new ATOM 822 N LYS A 56 37.125 28.335 1.019 1.00 25.00 N ATOM 823 CA LYS A 56 36.344 27.492 1.928 1.00 25.00 C ATOM 824 C LYS A 56 34.897 27.398 1.462 1.00 25.00 C ATOM 825 O LYS A 56 34.311 26.331 1.539 1.00 25.00 O ATOM 826 CB LYS A 56 36.466 27.936 3.406 1.00 25.00 C ATOM 827 CG LYS A 56 35.575 28.971 3.894 1.00 25.00 C ATOM 828 CD LYS A 56 36.101 29.491 5.241 1.00 25.00 C ATOM 829 CE LYS A 56 35.582 28.673 6.439 1.00 25.00 C ATOM 830 NZ LYS A 56 36.098 29.183 7.753 1.00 25.00 N ATOM 0 H LYS A 56 37.479 29.200 1.427 1.00 25.00 H new ATOM 0 HA LYS A 56 36.768 26.488 1.892 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.322 27.054 4.030 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.489 28.277 3.566 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.515 29.787 3.173 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.566 28.575 4.012 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.191 29.466 5.235 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.806 30.533 5.363 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.492 28.698 6.446 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.876 27.631 6.317 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.817 28.531 8.513 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.135 29.247 7.717 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.699 30.125 7.941 1.00 25.00 H new ATOM 844 N PHE A 57 34.336 28.469 0.918 1.00 25.00 N ATOM 845 CA PHE A 57 32.964 28.409 0.407 1.00 25.00 C ATOM 846 C PHE A 57 32.839 27.395 -0.721 1.00 25.00 C ATOM 847 O PHE A 57 31.992 26.519 -0.665 1.00 25.00 O ATOM 848 CB PHE A 57 32.481 29.786 -0.045 1.00 25.00 C ATOM 849 CG PHE A 57 31.058 29.785 -0.528 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.766 29.666 -1.901 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.993 29.878 0.389 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.427 29.644 -2.358 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.649 29.852 -0.058 1.00 25.00 C ATOM 854 CZ PHE A 57 28.369 29.732 -1.434 1.00 25.00 C ATOM 0 H PHE A 57 34.794 29.375 0.818 1.00 25.00 H new ATOM 0 HA PHE A 57 32.324 28.081 1.226 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.576 30.487 0.784 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.129 30.147 -0.844 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.574 29.591 -2.614 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.203 29.970 1.444 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.217 29.560 -3.414 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.840 29.924 0.654 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.346 29.708 -1.778 1.00 25.00 H new ATOM 864 N SER A 58 33.709 27.478 -1.715 1.00 25.00 N ATOM 865 CA SER A 58 33.708 26.551 -2.835 1.00 25.00 C ATOM 866 C SER A 58 34.012 25.136 -2.383 1.00 25.00 C ATOM 867 O SER A 58 33.348 24.196 -2.785 1.00 25.00 O ATOM 868 CB SER A 58 34.766 26.987 -3.853 1.00 25.00 C ATOM 869 OG SER A 58 34.776 26.125 -4.975 1.00 25.00 O ATOM 0 H SER A 58 34.437 28.191 -1.768 1.00 25.00 H new ATOM 0 HA SER A 58 32.715 26.563 -3.285 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.565 28.008 -4.176 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.749 26.989 -3.383 1.00 25.00 H new ATOM 0 HG SER A 58 35.458 26.424 -5.612 1.00 25.00 H new ATOM 875 N ARG A 59 34.996 24.980 -1.515 1.00 25.00 N ATOM 876 CA ARG A 59 35.390 23.657 -1.045 1.00 25.00 C ATOM 877 C ARG A 59 34.228 22.968 -0.344 1.00 25.00 C ATOM 878 O ARG A 59 33.960 21.795 -0.584 1.00 25.00 O ATOM 879 CB ARG A 59 36.602 23.795 -0.116 1.00 25.00 C ATOM 880 CG ARG A 59 37.202 22.469 0.351 1.00 25.00 C ATOM 881 CD ARG A 59 36.654 22.029 1.703 1.00 25.00 C ATOM 882 NE ARG A 59 37.137 20.685 2.056 1.00 25.00 N ATOM 883 CZ ARG A 59 36.657 19.935 3.041 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.705 20.354 3.836 1.00 25.00 N ATOM 885 NH2 ARG A 59 37.131 18.737 3.216 1.00 25.00 N ATOM 0 H ARG A 59 35.538 25.749 -1.120 1.00 25.00 H new ATOM 0 HA ARG A 59 35.668 23.035 -1.896 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.374 24.366 -0.631 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.308 24.374 0.760 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.994 21.698 -0.391 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.286 22.566 0.415 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.956 22.741 2.471 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.564 22.032 1.676 1.00 25.00 H new ATOM 0 HE ARG A 59 37.900 20.299 1.501 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.307 21.285 3.709 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.361 19.750 4.582 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.863 18.383 2.600 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.771 18.151 3.969 1.00 25.00 H new ATOM 899 N VAL A 60 33.517 23.693 0.503 1.00 25.00 N ATOM 900 CA VAL A 60 32.375 23.113 1.204 1.00 25.00 C ATOM 901 C VAL A 60 31.223 22.920 0.223 1.00 25.00 C ATOM 902 O VAL A 60 30.494 21.941 0.311 1.00 25.00 O ATOM 903 CB VAL A 60 31.931 23.984 2.411 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.702 23.371 3.085 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.073 24.084 3.444 1.00 25.00 C ATOM 0 H VAL A 60 33.703 24.671 0.723 1.00 25.00 H new ATOM 0 HA VAL A 60 32.676 22.146 1.607 1.00 25.00 H new ATOM 0 HB VAL A 60 31.684 24.979 2.041 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.402 23.992 3.929 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.884 23.315 2.367 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.943 22.369 3.440 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.750 24.697 4.285 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.330 23.086 3.800 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.947 24.539 2.978 1.00 25.00 H new ATOM 915 N LEU A 61 31.084 23.814 -0.745 1.00 25.00 N ATOM 916 CA LEU A 61 30.043 23.686 -1.767 1.00 25.00 C ATOM 917 C LEU A 61 30.209 22.365 -2.515 1.00 25.00 C ATOM 918 O LEU A 61 29.234 21.659 -2.764 1.00 25.00 O ATOM 919 CB LEU A 61 30.127 24.858 -2.751 1.00 25.00 C ATOM 920 CG LEU A 61 28.912 25.054 -3.661 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.101 26.219 -3.150 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.318 25.345 -5.085 1.00 25.00 C ATOM 0 H LEU A 61 31.677 24.638 -0.848 1.00 25.00 H new ATOM 0 HA LEU A 61 29.067 23.700 -1.282 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.282 25.775 -2.182 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.008 24.719 -3.378 1.00 25.00 H new ATOM 0 HG LEU A 61 28.333 24.131 -3.650 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.233 26.367 -3.792 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.769 26.013 -2.132 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.715 27.120 -3.156 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.426 25.477 -5.698 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.917 26.255 -5.114 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.905 24.513 -5.473 1.00 25.00 H new ATOM 934 N VAL A 62 31.446 22.007 -2.826 1.00 25.00 N ATOM 935 CA VAL A 62 31.726 20.741 -3.501 1.00 25.00 C ATOM 936 C VAL A 62 31.449 19.573 -2.567 1.00 25.00 C ATOM 937 O VAL A 62 30.816 18.610 -2.956 1.00 25.00 O ATOM 938 CB VAL A 62 33.185 20.667 -4.013 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.472 19.302 -4.651 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.416 21.752 -5.038 1.00 25.00 C ATOM 0 H VAL A 62 32.272 22.571 -2.624 1.00 25.00 H new ATOM 0 HA VAL A 62 31.066 20.683 -4.366 1.00 25.00 H new ATOM 0 HB VAL A 62 33.855 20.805 -3.164 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.503 19.275 -5.003 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.320 18.516 -3.912 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.797 19.144 -5.492 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.443 21.699 -5.398 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.731 21.614 -5.874 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.241 22.726 -4.582 1.00 25.00 H new ATOM 950 N GLU A 63 31.875 19.665 -1.322 1.00 25.00 N ATOM 951 CA GLU A 63 31.603 18.580 -0.363 1.00 25.00 C ATOM 952 C GLU A 63 30.093 18.342 -0.220 1.00 25.00 C ATOM 953 O GLU A 63 29.621 17.203 -0.207 1.00 25.00 O ATOM 954 CB GLU A 63 32.196 18.897 1.011 1.00 25.00 C ATOM 955 CG GLU A 63 33.711 18.890 1.037 1.00 25.00 C ATOM 956 CD GLU A 63 34.265 17.901 2.051 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.060 17.028 1.654 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.968 18.045 3.260 1.00 25.00 O ATOM 0 H GLU A 63 32.399 20.454 -0.945 1.00 25.00 H new ATOM 0 HA GLU A 63 32.074 17.677 -0.753 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.840 19.876 1.333 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.826 18.170 1.733 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.088 18.640 0.045 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.073 19.891 1.273 1.00 25.00 H new ATOM 965 N GLN A 64 29.332 19.423 -0.154 1.00 25.00 N ATOM 966 CA GLN A 64 27.880 19.344 -0.039 1.00 25.00 C ATOM 967 C GLN A 64 27.247 18.756 -1.300 1.00 25.00 C ATOM 968 O GLN A 64 26.282 17.989 -1.222 1.00 25.00 O ATOM 969 CB GLN A 64 27.308 20.747 0.212 1.00 25.00 C ATOM 970 CG GLN A 64 27.559 21.283 1.624 1.00 25.00 C ATOM 971 CD GLN A 64 26.782 20.527 2.677 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.569 20.377 2.580 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.467 20.040 3.676 1.00 25.00 N ATOM 0 H GLN A 64 29.698 20.375 -0.178 1.00 25.00 H new ATOM 0 HA GLN A 64 27.644 18.686 0.797 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.742 21.439 -0.510 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.234 20.728 0.028 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.624 21.221 1.849 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.286 22.337 1.663 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.475 20.186 3.722 1.00 25.00 H new ATOM 0 HE22 GLN A 64 26.994 19.514 4.411 1.00 25.00 H new ATOM 982 N GLN A 65 27.758 19.121 -2.463 1.00 25.00 N ATOM 983 CA GLN A 65 27.177 18.655 -3.717 1.00 25.00 C ATOM 984 C GLN A 65 27.526 17.195 -3.953 1.00 25.00 C ATOM 985 O GLN A 65 26.692 16.406 -4.366 1.00 25.00 O ATOM 986 CB GLN A 65 27.616 19.574 -4.857 1.00 25.00 C ATOM 987 CG GLN A 65 28.883 19.245 -5.610 1.00 25.00 C ATOM 988 CD GLN A 65 29.197 20.278 -6.676 1.00 25.00 C ATOM 989 OE1 GLN A 65 29.425 19.935 -7.817 1.00 25.00 O ATOM 990 NE2 GLN A 65 29.210 21.542 -6.304 1.00 25.00 N ATOM 0 H GLN A 65 28.567 19.733 -2.569 1.00 25.00 H new ATOM 0 HA GLN A 65 26.089 18.703 -3.668 1.00 25.00 H new ATOM 0 HB2 GLN A 65 26.802 19.613 -5.581 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.727 20.578 -4.447 1.00 25.00 H new ATOM 0 HG2 GLN A 65 29.715 19.183 -4.909 1.00 25.00 H new ATOM 0 HG3 GLN A 65 28.784 18.264 -6.074 1.00 25.00 H new ATOM 0 HE21 GLN A 65 29.013 21.790 -5.335 1.00 25.00 H new ATOM 0 HE22 GLN A 65 29.417 22.272 -6.986 1.00 25.00 H new ATOM 999 N GLN A 66 28.737 16.833 -3.579 1.00 25.00 N ATOM 1000 CA GLN A 66 29.174 15.431 -3.623 1.00 25.00 C ATOM 1001 C GLN A 66 28.325 14.551 -2.710 1.00 25.00 C ATOM 1002 O GLN A 66 27.951 13.453 -3.094 1.00 25.00 O ATOM 1003 CB GLN A 66 30.637 15.268 -3.210 1.00 25.00 C ATOM 1004 CG GLN A 66 31.641 15.673 -4.280 1.00 25.00 C ATOM 1005 CD GLN A 66 33.057 15.251 -3.923 1.00 25.00 C ATOM 1006 OE1 GLN A 66 33.266 14.385 -3.085 1.00 25.00 O ATOM 1007 NE2 GLN A 66 34.026 15.842 -4.570 1.00 25.00 N ATOM 0 H GLN A 66 29.445 17.484 -3.239 1.00 25.00 H new ATOM 0 HA GLN A 66 29.055 15.118 -4.660 1.00 25.00 H new ATOM 0 HB2 GLN A 66 30.818 15.864 -2.315 1.00 25.00 H new ATOM 0 HB3 GLN A 66 30.812 14.226 -2.940 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.358 15.223 -5.231 1.00 25.00 H new ATOM 0 HG3 GLN A 66 31.609 16.754 -4.417 1.00 25.00 H new ATOM 0 HE21 GLN A 66 33.813 16.560 -5.262 1.00 25.00 H new ATOM 0 HE22 GLN A 66 34.995 15.585 -4.383 1.00 25.00 H new ATOM 1016 N ASP A 67 27.997 15.027 -1.517 1.00 25.00 N ATOM 1017 CA ASP A 67 27.137 14.260 -0.607 1.00 25.00 C ATOM 1018 C ASP A 67 25.790 13.976 -1.251 1.00 25.00 C ATOM 1019 O ASP A 67 25.262 12.869 -1.182 1.00 25.00 O ATOM 1020 CB ASP A 67 26.878 15.045 0.667 1.00 25.00 C ATOM 1021 CG ASP A 67 25.896 14.346 1.580 1.00 25.00 C ATOM 1022 OD1 ASP A 67 24.747 14.830 1.683 1.00 25.00 O ATOM 1023 OD2 ASP A 67 26.227 13.287 2.147 1.00 25.00 O ATOM 0 H ASP A 67 28.305 15.929 -1.154 1.00 25.00 H new ATOM 0 HA ASP A 67 27.653 13.326 -0.383 1.00 25.00 H new ATOM 0 HB2 ASP A 67 27.819 15.196 1.196 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.494 16.033 0.411 1.00 25.00 H new ATOM 1028 N ARG A 68 25.239 14.986 -1.898 1.00 25.00 N ATOM 1029 CA ARG A 68 23.958 14.834 -2.589 1.00 25.00 C ATOM 1030 C ARG A 68 24.098 13.899 -3.779 1.00 25.00 C ATOM 1031 O ARG A 68 23.235 13.067 -4.004 1.00 25.00 O ATOM 1032 CB ARG A 68 23.428 16.198 -3.018 1.00 25.00 C ATOM 1033 CG ARG A 68 22.874 16.986 -1.839 1.00 25.00 C ATOM 1034 CD ARG A 68 22.930 18.486 -2.081 1.00 25.00 C ATOM 1035 NE ARG A 68 22.372 19.240 -0.942 1.00 25.00 N ATOM 1036 CZ ARG A 68 22.998 19.476 0.208 1.00 25.00 C ATOM 1037 NH1 ARG A 68 24.195 19.032 0.465 1.00 25.00 N ATOM 1038 NH2 ARG A 68 22.402 20.178 1.130 1.00 25.00 N ATOM 0 H ARG A 68 25.650 15.917 -1.964 1.00 25.00 H new ATOM 0 HA ARG A 68 23.238 14.389 -1.902 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.229 16.767 -3.491 1.00 25.00 H new ATOM 0 HB3 ARG A 68 22.646 16.065 -3.766 1.00 25.00 H new ATOM 0 HG2 ARG A 68 21.842 16.687 -1.655 1.00 25.00 H new ATOM 0 HG3 ARG A 68 23.441 16.742 -0.941 1.00 25.00 H new ATOM 0 HD2 ARG A 68 23.963 18.790 -2.248 1.00 25.00 H new ATOM 0 HD3 ARG A 68 22.375 18.730 -2.987 1.00 25.00 H new ATOM 0 HE ARG A 68 21.428 19.611 -1.045 1.00 25.00 H new ATOM 0 HH11 ARG A 68 24.693 18.477 -0.231 1.00 25.00 H new ATOM 0 HH12 ARG A 68 24.634 19.239 1.362 1.00 25.00 H new ATOM 0 HH21 ARG A 68 21.463 20.542 0.967 1.00 25.00 H new ATOM 0 HH22 ARG A 68 22.874 20.364 2.015 1.00 25.00 H new ATOM 1052 N ALA A 69 25.219 13.974 -4.483 1.00 25.00 N ATOM 1053 CA ALA A 69 25.478 13.088 -5.617 1.00 25.00 C ATOM 1054 C ALA A 69 25.485 11.613 -5.189 1.00 25.00 C ATOM 1055 O ALA A 69 25.075 10.747 -5.952 1.00 25.00 O ATOM 1056 CB ALA A 69 26.809 13.462 -6.287 1.00 25.00 C ATOM 0 H ALA A 69 25.967 14.640 -4.291 1.00 25.00 H new ATOM 0 HA ALA A 69 24.670 13.217 -6.337 1.00 25.00 H new ATOM 0 HB1 ALA A 69 26.992 12.796 -7.130 1.00 25.00 H new ATOM 0 HB2 ALA A 69 26.761 14.492 -6.642 1.00 25.00 H new ATOM 0 HB3 ALA A 69 27.620 13.364 -5.565 1.00 25.00 H new ATOM 1062 N ARG A 70 25.907 11.331 -3.960 1.00 25.00 N ATOM 1063 CA ARG A 70 25.895 9.952 -3.435 1.00 25.00 C ATOM 1064 C ARG A 70 24.473 9.433 -3.300 1.00 25.00 C ATOM 1065 O ARG A 70 24.197 8.275 -3.562 1.00 25.00 O ATOM 1066 CB ARG A 70 26.550 9.894 -2.051 1.00 25.00 C ATOM 1067 CG ARG A 70 28.014 10.228 -2.053 1.00 25.00 C ATOM 1068 CD ARG A 70 28.523 10.376 -0.624 1.00 25.00 C ATOM 1069 NE ARG A 70 29.907 10.880 -0.578 1.00 25.00 N ATOM 1070 CZ ARG A 70 30.593 11.133 0.532 1.00 25.00 C ATOM 1071 NH1 ARG A 70 30.084 10.941 1.727 1.00 25.00 N ATOM 1072 NH2 ARG A 70 31.810 11.589 0.439 1.00 25.00 N ATOM 0 H ARG A 70 26.261 12.028 -3.305 1.00 25.00 H new ATOM 0 HA ARG A 70 26.450 9.335 -4.142 1.00 25.00 H new ATOM 0 HB2 ARG A 70 26.031 10.584 -1.386 1.00 25.00 H new ATOM 0 HB3 ARG A 70 26.417 8.894 -1.639 1.00 25.00 H new ATOM 0 HG2 ARG A 70 28.572 9.445 -2.566 1.00 25.00 H new ATOM 0 HG3 ARG A 70 28.182 11.153 -2.604 1.00 25.00 H new ATOM 0 HD2 ARG A 70 27.871 11.057 -0.076 1.00 25.00 H new ATOM 0 HD3 ARG A 70 28.472 9.411 -0.120 1.00 25.00 H new ATOM 0 HE ARG A 70 30.376 11.048 -1.468 1.00 25.00 H new ATOM 0 HH11 ARG A 70 29.133 10.587 1.825 1.00 25.00 H new ATOM 0 HH12 ARG A 70 30.640 11.146 2.557 1.00 25.00 H new ATOM 0 HH21 ARG A 70 32.226 11.748 -0.478 1.00 25.00 H new ATOM 0 HH22 ARG A 70 32.346 11.787 1.284 1.00 25.00 H new ATOM 1086 N ARG A 71 23.574 10.305 -2.879 1.00 25.00 N ATOM 1087 CA ARG A 71 22.170 9.942 -2.666 1.00 25.00 C ATOM 1088 C ARG A 71 21.479 9.828 -4.014 1.00 25.00 C ATOM 1089 O ARG A 71 20.518 9.086 -4.188 1.00 25.00 O ATOM 1090 CB ARG A 71 21.493 11.025 -1.820 1.00 25.00 C ATOM 1091 CG ARG A 71 22.185 11.261 -0.477 1.00 25.00 C ATOM 1092 CD ARG A 71 21.743 12.569 0.150 1.00 25.00 C ATOM 1093 NE ARG A 71 22.624 12.938 1.272 1.00 25.00 N ATOM 1094 CZ ARG A 71 22.491 12.544 2.531 1.00 25.00 C ATOM 1095 NH1 ARG A 71 21.510 11.772 2.934 1.00 25.00 N ATOM 1096 NH2 ARG A 71 23.372 12.936 3.401 1.00 25.00 N ATOM 0 H ARG A 71 23.787 11.281 -2.674 1.00 25.00 H new ATOM 0 HA ARG A 71 22.104 8.987 -2.144 1.00 25.00 H new ATOM 0 HB2 ARG A 71 21.477 11.959 -2.382 1.00 25.00 H new ATOM 0 HB3 ARG A 71 20.455 10.742 -1.642 1.00 25.00 H new ATOM 0 HG2 ARG A 71 21.960 10.437 0.200 1.00 25.00 H new ATOM 0 HG3 ARG A 71 23.266 11.271 -0.619 1.00 25.00 H new ATOM 0 HD2 ARG A 71 21.754 13.359 -0.601 1.00 25.00 H new ATOM 0 HD3 ARG A 71 20.716 12.479 0.503 1.00 25.00 H new ATOM 0 HE ARG A 71 23.409 13.554 1.060 1.00 25.00 H new ATOM 0 HH11 ARG A 71 20.808 11.449 2.268 1.00 25.00 H new ATOM 0 HH12 ARG A 71 21.449 11.495 3.914 1.00 25.00 H new ATOM 0 HH21 ARG A 71 24.145 13.534 3.110 1.00 25.00 H new ATOM 0 HH22 ARG A 71 23.291 12.646 4.375 1.00 25.00 H new ATOM 1110 N GLU A 72 22.002 10.572 -4.965 1.00 25.00 N ATOM 1111 CA GLU A 72 21.475 10.612 -6.320 1.00 25.00 C ATOM 1112 C GLU A 72 21.768 9.337 -7.083 1.00 25.00 C ATOM 1113 O GLU A 72 21.033 8.978 -7.988 1.00 25.00 O ATOM 1114 CB GLU A 72 22.054 11.799 -7.066 1.00 25.00 C ATOM 1115 CG GLU A 72 21.015 12.809 -7.476 1.00 25.00 C ATOM 1116 CD GLU A 72 20.512 13.675 -6.307 1.00 25.00 C ATOM 1117 OE1 GLU A 72 20.719 14.902 -6.346 1.00 25.00 O ATOM 1118 OE2 GLU A 72 19.862 13.133 -5.375 1.00 25.00 O ATOM 0 H GLU A 72 22.813 11.174 -4.822 1.00 25.00 H new ATOM 0 HA GLU A 72 20.392 10.712 -6.246 1.00 25.00 H new ATOM 0 HB2 GLU A 72 22.797 12.288 -6.436 1.00 25.00 H new ATOM 0 HB3 GLU A 72 22.574 11.442 -7.955 1.00 25.00 H new ATOM 0 HG2 GLU A 72 21.433 13.458 -8.246 1.00 25.00 H new ATOM 0 HG3 GLU A 72 20.169 12.288 -7.923 1.00 25.00 H new ATOM 1125 N GLN A 73 22.830 8.644 -6.697 1.00 25.00 N ATOM 1126 CA GLN A 73 23.176 7.355 -7.317 1.00 25.00 C ATOM 1127 C GLN A 73 21.988 6.396 -7.258 1.00 25.00 C ATOM 1128 O GLN A 73 21.704 5.688 -8.214 1.00 25.00 O ATOM 1129 CB GLN A 73 24.372 6.691 -6.620 1.00 25.00 C ATOM 1130 CG GLN A 73 25.656 7.495 -6.667 1.00 25.00 C ATOM 1131 CD GLN A 73 26.071 7.847 -8.078 1.00 25.00 C ATOM 1132 OE1 GLN A 73 26.363 6.979 -8.881 1.00 25.00 O ATOM 1133 NE2 GLN A 73 26.101 9.117 -8.380 1.00 25.00 N ATOM 0 H GLN A 73 23.470 8.944 -5.961 1.00 25.00 H new ATOM 0 HA GLN A 73 23.441 7.564 -8.353 1.00 25.00 H new ATOM 0 HB2 GLN A 73 24.112 6.507 -5.578 1.00 25.00 H new ATOM 0 HB3 GLN A 73 24.550 5.719 -7.080 1.00 25.00 H new ATOM 0 HG2 GLN A 73 25.528 8.411 -6.091 1.00 25.00 H new ATOM 0 HG3 GLN A 73 26.454 6.927 -6.189 1.00 25.00 H new ATOM 0 HE21 GLN A 73 25.849 9.814 -7.679 1.00 25.00 H new ATOM 0 HE22 GLN A 73 26.376 9.412 -9.317 1.00 25.00 H new ATOM 1142 N GLU A 74 21.269 6.407 -6.149 1.00 25.00 N ATOM 1143 CA GLU A 74 20.105 5.541 -5.995 1.00 25.00 C ATOM 1144 C GLU A 74 18.969 5.978 -6.920 1.00 25.00 C ATOM 1145 O GLU A 74 18.188 5.158 -7.391 1.00 25.00 O ATOM 1146 CB GLU A 74 19.632 5.549 -4.539 1.00 25.00 C ATOM 1147 CG GLU A 74 20.700 5.067 -3.555 1.00 25.00 C ATOM 1148 CD GLU A 74 21.225 3.676 -3.904 1.00 25.00 C ATOM 1149 OE1 GLU A 74 20.412 2.733 -3.994 1.00 25.00 O ATOM 1150 OE2 GLU A 74 22.451 3.533 -4.106 1.00 25.00 O ATOM 0 H GLU A 74 21.466 7.001 -5.344 1.00 25.00 H new ATOM 0 HA GLU A 74 20.396 4.527 -6.270 1.00 25.00 H new ATOM 0 HB2 GLU A 74 19.328 6.560 -4.268 1.00 25.00 H new ATOM 0 HB3 GLU A 74 18.750 4.915 -4.447 1.00 25.00 H new ATOM 0 HG2 GLU A 74 21.529 5.774 -3.547 1.00 25.00 H new ATOM 0 HG3 GLU A 74 20.283 5.053 -2.548 1.00 25.00 H new ATOM 1157 N ARG A 75 18.877 7.272 -7.197 1.00 25.00 N ATOM 1158 CA ARG A 75 17.845 7.772 -8.111 1.00 25.00 C ATOM 1159 C ARG A 75 18.138 7.396 -9.558 1.00 25.00 C ATOM 1160 O ARG A 75 17.248 6.957 -10.282 1.00 25.00 O ATOM 1161 CB ARG A 75 17.706 9.289 -8.012 1.00 25.00 C ATOM 1162 CG ARG A 75 17.506 9.792 -6.603 1.00 25.00 C ATOM 1163 CD ARG A 75 17.126 11.254 -6.624 1.00 25.00 C ATOM 1164 NE ARG A 75 17.396 11.895 -5.333 1.00 25.00 N ATOM 1165 CZ ARG A 75 16.607 11.877 -4.271 1.00 25.00 C ATOM 1166 NH1 ARG A 75 15.455 11.248 -4.252 1.00 25.00 N ATOM 1167 NH2 ARG A 75 16.994 12.509 -3.201 1.00 25.00 N ATOM 0 H ARG A 75 19.492 7.989 -6.811 1.00 25.00 H new ATOM 0 HA ARG A 75 16.910 7.301 -7.807 1.00 25.00 H new ATOM 0 HB2 ARG A 75 18.598 9.754 -8.431 1.00 25.00 H new ATOM 0 HB3 ARG A 75 16.863 9.608 -8.625 1.00 25.00 H new ATOM 0 HG2 ARG A 75 16.726 9.212 -6.109 1.00 25.00 H new ATOM 0 HG3 ARG A 75 18.420 9.654 -6.026 1.00 25.00 H new ATOM 0 HD2 ARG A 75 17.683 11.765 -7.409 1.00 25.00 H new ATOM 0 HD3 ARG A 75 16.068 11.353 -6.867 1.00 25.00 H new ATOM 0 HE ARG A 75 18.276 12.403 -5.245 1.00 25.00 H new ATOM 0 HH11 ARG A 75 15.135 10.745 -5.080 1.00 25.00 H new ATOM 0 HH12 ARG A 75 14.880 11.262 -3.410 1.00 25.00 H new ATOM 0 HH21 ARG A 75 17.887 13.002 -3.195 1.00 25.00 H new ATOM 0 HH22 ARG A 75 16.405 12.511 -2.369 1.00 25.00 H new ATOM 1181 N ILE A 76 19.378 7.590 -9.987 1.00 25.00 N ATOM 1182 CA ILE A 76 19.754 7.320 -11.380 1.00 25.00 C ATOM 1183 C ILE A 76 19.766 5.820 -11.664 1.00 25.00 C ATOM 1184 O ILE A 76 19.655 5.396 -12.803 1.00 25.00 O ATOM 1185 CB ILE A 76 21.106 7.986 -11.781 1.00 25.00 C ATOM 1186 CG1 ILE A 76 22.282 7.367 -11.005 1.00 25.00 C ATOM 1187 CG2 ILE A 76 21.022 9.518 -11.541 1.00 25.00 C ATOM 1188 CD1 ILE A 76 23.667 7.898 -11.406 1.00 25.00 C ATOM 0 H ILE A 76 20.140 7.931 -9.400 1.00 25.00 H new ATOM 0 HA ILE A 76 18.989 7.780 -12.006 1.00 25.00 H new ATOM 0 HB ILE A 76 21.287 7.804 -12.840 1.00 25.00 H new ATOM 0 HG12 ILE A 76 22.133 7.548 -9.941 1.00 25.00 H new ATOM 0 HG13 ILE A 76 22.266 6.287 -11.150 1.00 25.00 H new ATOM 0 HG21 ILE A 76 21.967 9.983 -11.821 1.00 25.00 H new ATOM 0 HG22 ILE A 76 20.218 9.937 -12.146 1.00 25.00 H new ATOM 0 HG23 ILE A 76 20.822 9.711 -10.487 1.00 25.00 H new ATOM 0 HD11 ILE A 76 24.433 7.405 -10.807 1.00 25.00 H new ATOM 0 HD12 ILE A 76 23.844 7.692 -12.462 1.00 25.00 H new ATOM 0 HD13 ILE A 76 23.708 8.974 -11.234 1.00 25.00 H new ATOM 1200 N ARG A 77 19.833 5.009 -10.616 1.00 25.00 N ATOM 1201 CA ARG A 77 19.728 3.555 -10.773 1.00 25.00 C ATOM 1202 C ARG A 77 18.378 3.157 -11.361 1.00 25.00 C ATOM 1203 O ARG A 77 18.251 2.074 -11.920 1.00 25.00 O ATOM 1204 CB ARG A 77 19.920 2.858 -9.425 1.00 25.00 C ATOM 1205 CG ARG A 77 21.366 2.575 -9.084 1.00 25.00 C ATOM 1206 CD ARG A 77 21.866 1.339 -9.823 1.00 25.00 C ATOM 1207 NE ARG A 77 23.261 1.027 -9.472 1.00 25.00 N ATOM 1208 CZ ARG A 77 23.651 0.373 -8.383 1.00 25.00 C ATOM 1209 NH1 ARG A 77 22.806 -0.065 -7.481 1.00 25.00 N ATOM 1210 NH2 ARG A 77 24.923 0.154 -8.199 1.00 25.00 N ATOM 0 H ARG A 77 19.958 5.325 -9.654 1.00 25.00 H new ATOM 0 HA ARG A 77 20.513 3.241 -11.461 1.00 25.00 H new ATOM 0 HB2 ARG A 77 19.486 3.479 -8.641 1.00 25.00 H new ATOM 0 HB3 ARG A 77 19.367 1.919 -9.430 1.00 25.00 H new ATOM 0 HG2 ARG A 77 21.981 3.435 -9.348 1.00 25.00 H new ATOM 0 HG3 ARG A 77 21.468 2.427 -8.009 1.00 25.00 H new ATOM 0 HD2 ARG A 77 21.230 0.487 -9.581 1.00 25.00 H new ATOM 0 HD3 ARG A 77 21.788 1.500 -10.898 1.00 25.00 H new ATOM 0 HE ARG A 77 23.987 1.338 -10.117 1.00 25.00 H new ATOM 0 HH11 ARG A 77 21.805 0.092 -7.601 1.00 25.00 H new ATOM 0 HH12 ARG A 77 23.149 -0.563 -6.660 1.00 25.00 H new ATOM 0 HH21 ARG A 77 25.602 0.483 -8.886 1.00 25.00 H new ATOM 0 HH22 ARG A 77 25.239 -0.346 -7.368 1.00 25.00 H new ATOM 1224 N LEU A 78 17.390 4.035 -11.260 1.00 25.00 N ATOM 1225 CA LEU A 78 16.095 3.795 -11.887 1.00 25.00 C ATOM 1226 C LEU A 78 16.143 4.235 -13.350 1.00 25.00 C ATOM 1227 O LEU A 78 15.715 3.506 -14.241 1.00 25.00 O ATOM 1228 CB LEU A 78 14.998 4.573 -11.155 1.00 25.00 C ATOM 1229 CG LEU A 78 13.786 3.732 -10.743 1.00 25.00 C ATOM 1230 CD1 LEU A 78 12.825 4.596 -9.927 1.00 25.00 C ATOM 1231 CD2 LEU A 78 13.050 3.137 -11.948 1.00 25.00 C ATOM 0 H LEU A 78 17.458 4.917 -10.752 1.00 25.00 H new ATOM 0 HA LEU A 78 15.870 2.730 -11.832 1.00 25.00 H new ATOM 0 HB2 LEU A 78 15.428 5.029 -10.263 1.00 25.00 H new ATOM 0 HB3 LEU A 78 14.658 5.386 -11.796 1.00 25.00 H new ATOM 0 HG LEU A 78 14.151 2.898 -10.144 1.00 25.00 H new ATOM 0 HD11 LEU A 78 11.961 4.000 -9.632 1.00 25.00 H new ATOM 0 HD12 LEU A 78 13.334 4.964 -9.036 1.00 25.00 H new ATOM 0 HD13 LEU A 78 12.494 5.441 -10.530 1.00 25.00 H new ATOM 0 HD21 LEU A 78 12.199 2.550 -11.601 1.00 25.00 H new ATOM 0 HD22 LEU A 78 12.697 3.942 -12.592 1.00 25.00 H new ATOM 0 HD23 LEU A 78 13.729 2.495 -12.509 1.00 25.00 H new ATOM 1243 N PHE A 79 16.661 5.435 -13.581 1.00 25.00 N ATOM 1244 CA PHE A 79 16.775 5.992 -14.933 1.00 25.00 C ATOM 1245 C PHE A 79 18.113 6.706 -15.152 1.00 25.00 C ATOM 1246 O PHE A 79 18.494 7.560 -14.359 1.00 25.00 O ATOM 1247 CB PHE A 79 15.655 7.010 -15.185 1.00 25.00 C ATOM 1248 CG PHE A 79 14.267 6.450 -15.005 1.00 25.00 C ATOM 1249 CD1 PHE A 79 13.758 5.491 -15.902 1.00 25.00 C ATOM 1250 CD2 PHE A 79 13.454 6.889 -13.942 1.00 25.00 C ATOM 1251 CE1 PHE A 79 12.449 4.972 -15.743 1.00 25.00 C ATOM 1252 CE2 PHE A 79 12.137 6.386 -13.778 1.00 25.00 C ATOM 1253 CZ PHE A 79 11.637 5.426 -14.683 1.00 25.00 C ATOM 0 H PHE A 79 17.013 6.049 -12.846 1.00 25.00 H new ATOM 0 HA PHE A 79 16.702 5.151 -15.623 1.00 25.00 H new ATOM 0 HB2 PHE A 79 15.786 7.854 -14.508 1.00 25.00 H new ATOM 0 HB3 PHE A 79 15.751 7.397 -16.199 1.00 25.00 H new ATOM 0 HD1 PHE A 79 14.373 5.147 -16.721 1.00 25.00 H new ATOM 0 HD2 PHE A 79 13.838 7.617 -13.243 1.00 25.00 H new ATOM 0 HE1 PHE A 79 12.074 4.230 -16.432 1.00 25.00 H new ATOM 0 HE2 PHE A 79 11.520 6.737 -12.964 1.00 25.00 H new ATOM 0 HZ PHE A 79 10.635 5.040 -14.564 1.00 25.00 H new ATOM 1263 N SER A 80 18.757 6.404 -16.276 1.00 25.00 N ATOM 1264 CA SER A 80 19.988 7.083 -16.722 1.00 25.00 C ATOM 1265 C SER A 80 21.194 7.031 -15.771 1.00 25.00 C ATOM 1266 O SER A 80 21.839 8.045 -15.514 1.00 25.00 O ATOM 1267 CB SER A 80 19.682 8.538 -17.088 1.00 25.00 C ATOM 1268 OG SER A 80 18.641 8.591 -18.054 1.00 25.00 O ATOM 0 H SER A 80 18.442 5.674 -16.915 1.00 25.00 H new ATOM 0 HA SER A 80 20.305 6.504 -17.589 1.00 25.00 H new ATOM 0 HB2 SER A 80 19.389 9.091 -16.196 1.00 25.00 H new ATOM 0 HB3 SER A 80 20.578 9.018 -17.481 1.00 25.00 H new ATOM 0 HG SER A 80 18.452 9.526 -18.280 1.00 25.00 H new ATOM 1274 N ALA A 81 21.567 5.827 -15.351 1.00 25.00 N ATOM 1275 CA ALA A 81 22.821 5.603 -14.613 1.00 25.00 C ATOM 1276 C ALA A 81 23.988 5.450 -15.610 1.00 25.00 C ATOM 1277 O ALA A 81 24.826 4.556 -15.472 1.00 25.00 O ATOM 1278 CB ALA A 81 22.702 4.339 -13.739 1.00 25.00 C ATOM 0 H ALA A 81 21.019 4.981 -15.507 1.00 25.00 H new ATOM 0 HA ALA A 81 23.013 6.458 -13.965 1.00 25.00 H new ATOM 0 HB1 ALA A 81 23.635 4.182 -13.197 1.00 25.00 H new ATOM 0 HB2 ALA A 81 21.886 4.464 -13.028 1.00 25.00 H new ATOM 0 HB3 ALA A 81 22.501 3.476 -14.373 1.00 25.00 H new ATOM 1284 N ASP A 82 23.975 6.263 -16.653 1.00 25.00 N ATOM 1285 CA ASP A 82 24.924 6.139 -17.757 1.00 25.00 C ATOM 1286 C ASP A 82 26.358 6.530 -17.353 1.00 25.00 C ATOM 1287 O ASP A 82 26.559 7.416 -16.516 1.00 25.00 O ATOM 1288 CB ASP A 82 24.451 7.014 -18.918 1.00 25.00 C ATOM 1289 CG ASP A 82 23.150 6.512 -19.519 1.00 25.00 C ATOM 1290 OD1 ASP A 82 22.097 7.152 -19.299 1.00 25.00 O ATOM 1291 OD2 ASP A 82 23.166 5.439 -20.160 1.00 25.00 O ATOM 0 H ASP A 82 23.309 7.028 -16.762 1.00 25.00 H new ATOM 0 HA ASP A 82 24.956 5.091 -18.054 1.00 25.00 H new ATOM 0 HB2 ASP A 82 24.317 8.038 -18.569 1.00 25.00 H new ATOM 0 HB3 ASP A 82 25.220 7.039 -19.690 1.00 25.00 H new ATOM 1296 N PRO A 83 27.375 5.857 -17.930 1.00 25.00 N ATOM 1297 CA PRO A 83 28.763 6.178 -17.572 1.00 25.00 C ATOM 1298 C PRO A 83 29.319 7.407 -18.296 1.00 25.00 C ATOM 1299 O PRO A 83 28.698 7.952 -19.200 1.00 25.00 O ATOM 1300 CB PRO A 83 29.509 4.917 -18.012 1.00 25.00 C ATOM 1301 CG PRO A 83 28.783 4.497 -19.230 1.00 25.00 C ATOM 1302 CD PRO A 83 27.324 4.757 -18.916 1.00 25.00 C ATOM 0 HA PRO A 83 28.862 6.430 -16.516 1.00 25.00 H new ATOM 0 HB2 PRO A 83 30.559 5.123 -18.221 1.00 25.00 H new ATOM 0 HB3 PRO A 83 29.483 4.145 -17.242 1.00 25.00 H new ATOM 0 HG2 PRO A 83 29.108 5.066 -20.101 1.00 25.00 H new ATOM 0 HG3 PRO A 83 28.959 3.445 -19.453 1.00 25.00 H new ATOM 0 HD2 PRO A 83 26.766 5.043 -19.808 1.00 25.00 H new ATOM 0 HD3 PRO A 83 26.838 3.872 -18.506 1.00 25.00 H new ATOM 1310 N PHE A 84 30.545 7.776 -17.947 1.00 25.00 N ATOM 1311 CA PHE A 84 31.266 8.875 -18.585 1.00 25.00 C ATOM 1312 C PHE A 84 32.417 8.214 -19.323 1.00 25.00 C ATOM 1313 O PHE A 84 33.541 8.701 -19.318 1.00 25.00 O ATOM 1314 CB PHE A 84 31.779 9.865 -17.534 1.00 25.00 C ATOM 1315 CG PHE A 84 30.679 10.545 -16.763 1.00 25.00 C ATOM 1316 CD1 PHE A 84 30.217 10.009 -15.545 1.00 25.00 C ATOM 1317 CD2 PHE A 84 30.090 11.724 -17.257 1.00 25.00 C ATOM 1318 CE1 PHE A 84 29.172 10.641 -14.824 1.00 25.00 C ATOM 1319 CE2 PHE A 84 29.045 12.365 -16.546 1.00 25.00 C ATOM 1320 CZ PHE A 84 28.586 11.822 -15.327 1.00 25.00 C ATOM 0 H PHE A 84 31.074 7.317 -17.205 1.00 25.00 H new ATOM 0 HA PHE A 84 30.631 9.449 -19.260 1.00 25.00 H new ATOM 0 HB2 PHE A 84 32.429 9.337 -16.836 1.00 25.00 H new ATOM 0 HB3 PHE A 84 32.389 10.622 -18.027 1.00 25.00 H new ATOM 0 HD1 PHE A 84 30.664 9.106 -15.156 1.00 25.00 H new ATOM 0 HD2 PHE A 84 30.438 12.145 -18.189 1.00 25.00 H new ATOM 0 HE1 PHE A 84 28.825 10.219 -13.892 1.00 25.00 H new ATOM 0 HE2 PHE A 84 28.600 13.268 -16.937 1.00 25.00 H new ATOM 0 HZ PHE A 84 27.790 12.308 -14.782 1.00 25.00 H new ATOM 1330 N ASP A 85 32.087 7.050 -19.878 1.00 25.00 N ATOM 1331 CA ASP A 85 33.015 6.139 -20.553 1.00 25.00 C ATOM 1332 C ASP A 85 34.092 5.574 -19.631 1.00 25.00 C ATOM 1333 O ASP A 85 35.054 6.230 -19.266 1.00 25.00 O ATOM 1334 CB ASP A 85 33.628 6.784 -21.777 1.00 25.00 C ATOM 1335 CG ASP A 85 34.270 5.763 -22.697 1.00 25.00 C ATOM 1336 OD1 ASP A 85 34.467 6.071 -23.883 1.00 25.00 O ATOM 1337 OD2 ASP A 85 34.504 4.614 -22.240 1.00 25.00 O ATOM 0 H ASP A 85 31.129 6.700 -19.871 1.00 25.00 H new ATOM 0 HA ASP A 85 32.415 5.288 -20.875 1.00 25.00 H new ATOM 0 HB2 ASP A 85 32.858 7.330 -22.323 1.00 25.00 H new ATOM 0 HB3 ASP A 85 34.376 7.513 -21.466 1.00 25.00 H new ATOM 1342 N LEU A 86 33.893 4.326 -19.251 1.00 25.00 N ATOM 1343 CA LEU A 86 34.774 3.641 -18.316 1.00 25.00 C ATOM 1344 C LEU A 86 36.238 3.552 -18.748 1.00 25.00 C ATOM 1345 O LEU A 86 37.114 3.533 -17.893 1.00 25.00 O ATOM 1346 CB LEU A 86 34.236 2.228 -18.055 1.00 25.00 C ATOM 1347 CG LEU A 86 33.919 1.358 -19.288 1.00 25.00 C ATOM 1348 CD1 LEU A 86 34.998 0.296 -19.503 1.00 25.00 C ATOM 1349 CD2 LEU A 86 32.560 0.682 -19.109 1.00 25.00 C ATOM 0 H LEU A 86 33.115 3.755 -19.581 1.00 25.00 H new ATOM 0 HA LEU A 86 34.772 4.250 -17.412 1.00 25.00 H new ATOM 0 HB2 LEU A 86 34.965 1.696 -17.444 1.00 25.00 H new ATOM 0 HB3 LEU A 86 33.327 2.317 -17.461 1.00 25.00 H new ATOM 0 HG LEU A 86 33.894 2.005 -20.165 1.00 25.00 H new ATOM 0 HD11 LEU A 86 34.749 -0.303 -20.379 1.00 25.00 H new ATOM 0 HD12 LEU A 86 35.961 0.782 -19.657 1.00 25.00 H new ATOM 0 HD13 LEU A 86 35.054 -0.349 -18.626 1.00 25.00 H new ATOM 0 HD21 LEU A 86 32.341 0.069 -19.983 1.00 25.00 H new ATOM 0 HD22 LEU A 86 32.581 0.052 -18.220 1.00 25.00 H new ATOM 0 HD23 LEU A 86 31.787 1.443 -18.997 1.00 25.00 H new ATOM 1361 N GLU A 87 36.518 3.476 -20.041 1.00 25.00 N ATOM 1362 CA GLU A 87 37.913 3.363 -20.485 1.00 25.00 C ATOM 1363 C GLU A 87 38.602 4.718 -20.501 1.00 25.00 C ATOM 1364 O GLU A 87 39.800 4.839 -20.269 1.00 25.00 O ATOM 1365 CB GLU A 87 38.012 2.690 -21.859 1.00 25.00 C ATOM 1366 CG GLU A 87 37.448 3.445 -23.066 1.00 25.00 C ATOM 1367 CD GLU A 87 38.420 3.429 -24.241 1.00 25.00 C ATOM 1368 OE1 GLU A 87 38.942 4.506 -24.608 1.00 25.00 O ATOM 1369 OE2 GLU A 87 38.695 2.328 -24.776 1.00 25.00 O ATOM 0 H GLU A 87 35.824 3.489 -20.789 1.00 25.00 H new ATOM 0 HA GLU A 87 38.429 2.731 -19.763 1.00 25.00 H new ATOM 0 HB2 GLU A 87 39.064 2.483 -22.055 1.00 25.00 H new ATOM 0 HB3 GLU A 87 37.503 1.728 -21.798 1.00 25.00 H new ATOM 0 HG2 GLU A 87 36.503 2.995 -23.369 1.00 25.00 H new ATOM 0 HG3 GLU A 87 37.234 4.476 -22.784 1.00 25.00 H new ATOM 1376 N ALA A 88 37.804 5.736 -20.762 1.00 25.00 N ATOM 1377 CA ALA A 88 38.290 7.107 -20.877 1.00 25.00 C ATOM 1378 C ALA A 88 38.644 7.736 -19.539 1.00 25.00 C ATOM 1379 O ALA A 88 39.303 8.778 -19.465 1.00 25.00 O ATOM 1380 CB ALA A 88 37.248 7.961 -21.603 1.00 25.00 C ATOM 0 H ALA A 88 36.798 5.640 -20.901 1.00 25.00 H new ATOM 0 HA ALA A 88 39.216 7.069 -21.451 1.00 25.00 H new ATOM 0 HB1 ALA A 88 37.612 8.985 -21.688 1.00 25.00 H new ATOM 0 HB2 ALA A 88 37.074 7.554 -22.599 1.00 25.00 H new ATOM 0 HB3 ALA A 88 36.315 7.954 -21.040 1.00 25.00 H new ATOM 1386 N GLN A 89 38.192 7.103 -18.479 1.00 25.00 N ATOM 1387 CA GLN A 89 38.444 7.601 -17.130 1.00 25.00 C ATOM 1388 C GLN A 89 39.631 6.930 -16.485 1.00 25.00 C ATOM 1389 O GLN A 89 39.570 5.829 -15.950 1.00 25.00 O ATOM 1390 CB GLN A 89 37.257 7.409 -16.222 1.00 25.00 C ATOM 1391 CG GLN A 89 35.995 8.133 -16.664 1.00 25.00 C ATOM 1392 CD GLN A 89 36.191 9.627 -16.771 1.00 25.00 C ATOM 1393 OE1 GLN A 89 36.768 10.255 -15.891 1.00 25.00 O ATOM 1394 NE2 GLN A 89 35.710 10.202 -17.839 1.00 25.00 N ATOM 0 H GLN A 89 37.647 6.242 -18.517 1.00 25.00 H new ATOM 0 HA GLN A 89 38.646 8.665 -17.254 1.00 25.00 H new ATOM 0 HB2 GLN A 89 37.041 6.343 -16.149 1.00 25.00 H new ATOM 0 HB3 GLN A 89 37.523 7.750 -15.221 1.00 25.00 H new ATOM 0 HG2 GLN A 89 35.675 7.742 -17.630 1.00 25.00 H new ATOM 0 HG3 GLN A 89 35.194 7.925 -15.955 1.00 25.00 H new ATOM 0 HE21 GLN A 89 35.236 9.644 -18.549 1.00 25.00 H new ATOM 0 HE22 GLN A 89 35.808 11.210 -17.964 1.00 25.00 H new ATOM 1403 N ALA A 90 40.682 7.708 -16.436 1.00 25.00 N ATOM 1404 CA ALA A 90 41.933 7.342 -15.767 1.00 25.00 C ATOM 1405 C ALA A 90 41.892 7.740 -14.296 1.00 25.00 C ATOM 1406 O ALA A 90 42.890 7.692 -13.579 1.00 25.00 O ATOM 1407 CB ALA A 90 43.090 8.021 -16.459 1.00 25.00 C ATOM 0 H ALA A 90 40.706 8.634 -16.864 1.00 25.00 H new ATOM 0 HA ALA A 90 42.062 6.261 -15.823 1.00 25.00 H new ATOM 0 HB1 ALA A 90 44.021 7.749 -15.962 1.00 25.00 H new ATOM 0 HB2 ALA A 90 43.128 7.703 -17.501 1.00 25.00 H new ATOM 0 HB3 ALA A 90 42.957 9.102 -16.415 1.00 25.00 H new ATOM 1413 N LYS A 91 40.693 8.138 -13.908 1.00 25.00 N ATOM 1414 CA LYS A 91 40.350 8.639 -12.565 1.00 25.00 C ATOM 1415 C LYS A 91 41.062 9.987 -12.326 1.00 25.00 C ATOM 1416 O LYS A 91 41.726 10.504 -13.214 1.00 25.00 O ATOM 1417 CB LYS A 91 40.687 7.568 -11.507 1.00 25.00 C ATOM 1418 CG LYS A 91 39.943 7.690 -10.181 1.00 25.00 C ATOM 1419 CD LYS A 91 40.165 6.440 -9.332 1.00 25.00 C ATOM 1420 CE LYS A 91 39.709 6.651 -7.890 1.00 25.00 C ATOM 1421 NZ LYS A 91 38.279 7.062 -7.800 1.00 25.00 N ATOM 0 H LYS A 91 39.890 8.125 -14.537 1.00 25.00 H new ATOM 0 HA LYS A 91 39.280 8.827 -12.482 1.00 25.00 H new ATOM 0 HB2 LYS A 91 40.477 6.586 -11.931 1.00 25.00 H new ATOM 0 HB3 LYS A 91 41.758 7.606 -11.306 1.00 25.00 H new ATOM 0 HG2 LYS A 91 40.290 8.571 -9.641 1.00 25.00 H new ATOM 0 HG3 LYS A 91 38.878 7.828 -10.365 1.00 25.00 H new ATOM 0 HD2 LYS A 91 39.620 5.602 -9.767 1.00 25.00 H new ATOM 0 HD3 LYS A 91 41.222 6.174 -9.345 1.00 25.00 H new ATOM 0 HE2 LYS A 91 39.855 5.729 -7.327 1.00 25.00 H new ATOM 0 HE3 LYS A 91 40.333 7.412 -7.422 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 37.980 7.061 -6.804 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 38.167 8.018 -8.195 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 37.691 6.394 -8.339 1.00 25.00 H new ATOM 1435 N ILE A 92 40.845 10.590 -11.166 1.00 25.00 N ATOM 1436 CA ILE A 92 41.420 11.896 -10.848 1.00 25.00 C ATOM 1437 C ILE A 92 42.392 11.684 -9.699 1.00 25.00 C ATOM 1438 O ILE A 92 41.993 11.591 -8.542 1.00 25.00 O ATOM 1439 CB ILE A 92 40.336 12.941 -10.440 1.00 25.00 C ATOM 1440 CG1 ILE A 92 39.257 13.059 -11.542 1.00 25.00 C ATOM 1441 CG2 ILE A 92 40.995 14.329 -10.176 1.00 25.00 C ATOM 1442 CD1 ILE A 92 38.026 13.899 -11.142 1.00 25.00 C ATOM 0 H ILE A 92 40.271 10.194 -10.422 1.00 25.00 H new ATOM 0 HA ILE A 92 41.916 12.297 -11.732 1.00 25.00 H new ATOM 0 HB ILE A 92 39.857 12.602 -9.522 1.00 25.00 H new ATOM 0 HG12 ILE A 92 39.709 13.500 -12.430 1.00 25.00 H new ATOM 0 HG13 ILE A 92 38.925 12.058 -11.817 1.00 25.00 H new ATOM 0 HG21 ILE A 92 40.227 15.048 -9.892 1.00 25.00 H new ATOM 0 HG22 ILE A 92 41.723 14.239 -9.370 1.00 25.00 H new ATOM 0 HG23 ILE A 92 41.496 14.672 -11.081 1.00 25.00 H new ATOM 0 HD11 ILE A 92 37.321 13.929 -11.973 1.00 25.00 H new ATOM 0 HD12 ILE A 92 37.545 13.449 -10.274 1.00 25.00 H new ATOM 0 HD13 ILE A 92 38.342 14.913 -10.897 1.00 25.00 H new ATOM 1454 N GLU A 93 43.658 11.555 -10.048 1.00 25.00 N ATOM 1455 CA GLU A 93 44.726 11.287 -9.099 1.00 25.00 C ATOM 1456 C GLU A 93 45.821 12.324 -9.339 1.00 25.00 C ATOM 1457 O GLU A 93 45.806 13.001 -10.369 1.00 25.00 O ATOM 1458 CB GLU A 93 45.284 9.886 -9.351 1.00 25.00 C ATOM 1459 CG GLU A 93 44.237 8.769 -9.279 1.00 25.00 C ATOM 1460 CD GLU A 93 43.563 8.664 -7.914 1.00 25.00 C ATOM 1461 OE1 GLU A 93 42.340 8.393 -7.878 1.00 25.00 O ATOM 1462 OE2 GLU A 93 44.253 8.794 -6.880 1.00 25.00 O ATOM 0 H GLU A 93 43.980 11.634 -11.013 1.00 25.00 H new ATOM 0 HA GLU A 93 44.361 11.343 -8.074 1.00 25.00 H new ATOM 0 HB2 GLU A 93 45.753 9.866 -10.335 1.00 25.00 H new ATOM 0 HB3 GLU A 93 46.067 9.682 -8.620 1.00 25.00 H new ATOM 0 HG2 GLU A 93 43.476 8.943 -10.040 1.00 25.00 H new ATOM 0 HG3 GLU A 93 44.713 7.818 -9.516 1.00 25.00 H new ATOM 1469 N GLU A 94 46.770 12.448 -8.420 1.00 25.00 N ATOM 1470 CA GLU A 94 47.883 13.386 -8.595 1.00 25.00 C ATOM 1471 C GLU A 94 49.235 12.716 -8.385 1.00 25.00 C ATOM 1472 O GLU A 94 49.516 12.183 -7.315 1.00 25.00 O ATOM 1473 CB GLU A 94 47.782 14.555 -7.616 1.00 25.00 C ATOM 1474 CG GLU A 94 46.539 15.421 -7.796 1.00 25.00 C ATOM 1475 CD GLU A 94 46.601 16.711 -6.985 1.00 25.00 C ATOM 1476 OE1 GLU A 94 47.718 17.242 -6.790 1.00 25.00 O ATOM 1477 OE2 GLU A 94 45.534 17.293 -6.701 1.00 25.00 O ATOM 0 H GLU A 94 46.796 11.917 -7.550 1.00 25.00 H new ATOM 0 HA GLU A 94 47.812 13.746 -9.621 1.00 25.00 H new ATOM 0 HB2 GLU A 94 47.793 14.163 -6.599 1.00 25.00 H new ATOM 0 HB3 GLU A 94 48.666 15.183 -7.726 1.00 25.00 H new ATOM 0 HG2 GLU A 94 46.420 15.665 -8.852 1.00 25.00 H new ATOM 0 HG3 GLU A 94 45.658 14.852 -7.500 1.00 25.00 H new ATOM 1484 N ASP A 95 50.098 12.826 -9.384 1.00 25.00 N ATOM 1485 CA ASP A 95 51.469 12.291 -9.322 1.00 25.00 C ATOM 1486 C ASP A 95 52.408 13.259 -8.588 1.00 25.00 C ATOM 1487 O ASP A 95 53.504 13.549 -9.056 1.00 25.00 O ATOM 1488 CB ASP A 95 51.997 12.054 -10.741 1.00 25.00 C ATOM 1489 CG ASP A 95 51.238 10.970 -11.469 1.00 25.00 C ATOM 1490 OD1 ASP A 95 50.561 11.296 -12.468 1.00 25.00 O ATOM 1491 OD2 ASP A 95 51.324 9.796 -11.057 1.00 25.00 O ATOM 0 H ASP A 95 49.876 13.288 -10.266 1.00 25.00 H new ATOM 0 HA ASP A 95 51.441 11.350 -8.772 1.00 25.00 H new ATOM 0 HB2 ASP A 95 51.932 12.982 -11.309 1.00 25.00 H new ATOM 0 HB3 ASP A 95 53.052 11.784 -10.692 1.00 25.00 H new ATOM 1496 N ILE A 96 51.941 13.782 -7.458 1.00 25.00 N ATOM 1497 CA ILE A 96 52.693 14.757 -6.644 1.00 25.00 C ATOM 1498 C ILE A 96 53.186 15.907 -7.543 1.00 25.00 C ATOM 1499 O ILE A 96 54.384 16.165 -7.679 1.00 25.00 O ATOM 1500 CB ILE A 96 53.887 14.091 -5.855 1.00 25.00 C ATOM 1501 CG1 ILE A 96 53.443 12.743 -5.233 1.00 25.00 C ATOM 1502 CG2 ILE A 96 54.386 15.050 -4.721 1.00 25.00 C ATOM 1503 CD1 ILE A 96 54.576 11.950 -4.552 1.00 25.00 C ATOM 0 H ILE A 96 51.027 13.546 -7.072 1.00 25.00 H new ATOM 0 HA ILE A 96 52.018 15.157 -5.888 1.00 25.00 H new ATOM 0 HB ILE A 96 54.700 13.907 -6.557 1.00 25.00 H new ATOM 0 HG12 ILE A 96 52.660 12.936 -4.500 1.00 25.00 H new ATOM 0 HG13 ILE A 96 53.002 12.124 -6.015 1.00 25.00 H new ATOM 0 HG21 ILE A 96 55.210 14.580 -4.183 1.00 25.00 H new ATOM 0 HG22 ILE A 96 54.727 15.987 -5.161 1.00 25.00 H new ATOM 0 HG23 ILE A 96 53.569 15.251 -4.029 1.00 25.00 H new ATOM 0 HD11 ILE A 96 54.176 11.021 -4.145 1.00 25.00 H new ATOM 0 HD12 ILE A 96 55.351 11.721 -5.284 1.00 25.00 H new ATOM 0 HD13 ILE A 96 55.003 12.546 -3.745 1.00 25.00 H new ATOM 1515 N ARG A 97 52.233 16.579 -8.183 1.00 25.00 N ATOM 1516 CA ARG A 97 52.511 17.654 -9.159 1.00 25.00 C ATOM 1517 C ARG A 97 53.039 18.979 -8.566 1.00 25.00 C ATOM 1518 O ARG A 97 52.656 20.073 -8.981 1.00 25.00 O ATOM 1519 CB ARG A 97 51.236 17.919 -9.982 1.00 25.00 C ATOM 1520 CG ARG A 97 49.991 18.214 -9.138 1.00 25.00 C ATOM 1521 CD ARG A 97 48.818 18.632 -10.008 1.00 25.00 C ATOM 1522 NE ARG A 97 47.581 18.711 -9.215 1.00 25.00 N ATOM 1523 CZ ARG A 97 46.407 19.152 -9.650 1.00 25.00 C ATOM 1524 NH1 ARG A 97 46.241 19.612 -10.866 1.00 25.00 N ATOM 1525 NH2 ARG A 97 45.381 19.125 -8.851 1.00 25.00 N ATOM 0 H ARG A 97 51.238 16.400 -8.046 1.00 25.00 H new ATOM 0 HA ARG A 97 53.329 17.286 -9.778 1.00 25.00 H new ATOM 0 HB2 ARG A 97 51.417 18.762 -10.649 1.00 25.00 H new ATOM 0 HB3 ARG A 97 51.037 17.052 -10.611 1.00 25.00 H new ATOM 0 HG2 ARG A 97 49.722 17.328 -8.562 1.00 25.00 H new ATOM 0 HG3 ARG A 97 50.214 19.004 -8.421 1.00 25.00 H new ATOM 0 HD2 ARG A 97 49.025 19.600 -10.465 1.00 25.00 H new ATOM 0 HD3 ARG A 97 48.689 17.917 -10.821 1.00 25.00 H new ATOM 0 HE ARG A 97 47.630 18.399 -8.245 1.00 25.00 H new ATOM 0 HH11 ARG A 97 47.029 19.639 -11.513 1.00 25.00 H new ATOM 0 HH12 ARG A 97 45.324 19.943 -11.165 1.00 25.00 H new ATOM 0 HH21 ARG A 97 45.484 18.768 -7.901 1.00 25.00 H new ATOM 0 HH22 ARG A 97 44.474 19.461 -9.174 1.00 25.00 H new ATOM 1539 N GLN A 98 53.974 18.883 -7.621 1.00 25.00 N ATOM 1540 CA GLN A 98 54.678 20.021 -7.022 1.00 25.00 C ATOM 1541 C GLN A 98 55.977 19.562 -6.362 1.00 25.00 C ATOM 1542 O GLN A 98 56.047 18.843 -5.390 1.00 25.00 O ATOM 1543 CB GLN A 98 53.785 20.811 -6.030 1.00 25.00 C ATOM 1544 CG GLN A 98 54.460 22.137 -5.595 1.00 25.00 C ATOM 1545 CD GLN A 98 54.776 23.037 -6.773 1.00 25.00 C ATOM 1546 OE1 GLN A 98 55.861 23.524 -6.963 1.00 25.00 O ATOM 1547 NE2 GLN A 98 53.788 23.284 -7.620 1.00 25.00 N ATOM 1548 OXT GLN A 98 57.039 19.990 -6.957 1.00 25.00 O ATOM 0 H GLN A 98 54.273 17.986 -7.239 1.00 25.00 H new ATOM 0 HA GLN A 98 54.928 20.711 -7.828 1.00 25.00 H new ATOM 0 HB2 GLN A 98 52.823 21.026 -6.496 1.00 25.00 H new ATOM 0 HB3 GLN A 98 53.584 20.198 -5.151 1.00 25.00 H new ATOM 0 HG2 GLN A 98 53.804 22.665 -4.903 1.00 25.00 H new ATOM 0 HG3 GLN A 98 55.380 21.913 -5.055 1.00 25.00 H new ATOM 0 HE21 GLN A 98 52.867 22.874 -7.463 1.00 25.00 H new ATOM 0 HE22 GLN A 98 53.948 23.884 -8.429 1.00 25.00 H new TER 1558 GLN A 98