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 74:sc= 1.58 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -178:sc= 1.47 (180deg=1.11) USER MOD Set 2.1: A 42 ASN : amide:sc= -0.458 K(o=-0.56,f=-3.2!) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.1 K(o=-0.56,f=-1.1) USER MOD Single : A 1 SER N :NH3+ 180:sc= -0.336 (180deg=-0.336) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 3 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.96) USER MOD Single : A 4 SER OG : rot -100:sc= 0.237 USER MOD Single : A 5 HIS : no HE2:sc= 0.287 K(o=0.29,f=-1.1) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 51:sc= 0.465 USER MOD Single : A 13 SER OG : rot -85:sc= 1.08 USER MOD Single : A 14 SER OG : rot 138:sc= 1.24 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 175:sc= 0 (180deg=-0.0361) USER MOD Single : A 31 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.4!) 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+ 148:sc= 0.219 (180deg=-0.0928) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.7!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.288 X(o=0.29,f=0) USER MOD Single : A 80 SER OG : rot -80:sc= 1.28 USER MOD Single : A 89 GLN : amide:sc= 0.768 K(o=0.77,f=-0.069) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.09) USER MOD Single : A 98 GLN : amide:sc= 0.0581 X(o=0.058,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 24.144 36.686 -9.749 1.00 25.00 N ATOM 2 CA SER A 1 23.208 36.952 -10.945 1.00 25.00 C ATOM 3 C SER A 1 21.792 37.319 -10.536 1.00 25.00 C ATOM 4 O SER A 1 20.900 37.526 -11.329 1.00 25.00 O ATOM 5 CB SER A 1 23.184 35.693 -11.825 1.00 25.00 C ATOM 6 OG SER A 1 24.413 35.282 -12.163 1.00 25.00 O ATOM 0 H1 SER A 1 25.093 36.441 -10.098 1.00 25.00 H new ATOM 0 H2 SER A 1 24.202 37.539 -9.157 1.00 25.00 H new ATOM 0 H3 SER A 1 23.769 35.898 -9.184 1.00 25.00 H new ATOM 0 HA SER A 1 23.599 37.813 -11.487 1.00 25.00 H new ATOM 0 HB2 SER A 1 22.669 34.892 -11.294 1.00 25.00 H new ATOM 0 HB3 SER A 1 22.610 35.896 -12.729 1.00 25.00 H new ATOM 0 HG SER A 1 24.348 34.479 -12.720 1.00 25.00 H new ATOM 14 N GLN A 2 21.637 37.405 -9.204 1.00 25.00 N ATOM 15 CA GLN A 2 20.374 37.709 -8.526 1.00 25.00 C ATOM 16 C GLN A 2 19.322 36.646 -8.905 1.00 25.00 C ATOM 17 O GLN A 2 19.678 35.508 -9.194 1.00 25.00 O ATOM 18 CB GLN A 2 19.923 39.149 -8.846 1.00 25.00 C ATOM 19 CG GLN A 2 19.193 39.846 -7.689 1.00 25.00 C ATOM 20 CD GLN A 2 18.920 41.312 -7.958 1.00 25.00 C ATOM 21 OE1 GLN A 2 19.087 41.799 -9.062 1.00 25.00 O ATOM 22 NE2 GLN A 2 18.497 42.020 -6.945 1.00 25.00 N ATOM 0 H GLN A 2 22.411 37.260 -8.555 1.00 25.00 H new ATOM 0 HA GLN A 2 20.507 37.665 -7.445 1.00 25.00 H new ATOM 0 HB2 GLN A 2 20.797 39.740 -9.119 1.00 25.00 H new ATOM 0 HB3 GLN A 2 19.267 39.128 -9.716 1.00 25.00 H new ATOM 0 HG2 GLN A 2 18.249 39.335 -7.502 1.00 25.00 H new ATOM 0 HG3 GLN A 2 19.790 39.754 -6.782 1.00 25.00 H new ATOM 0 HE21 GLN A 2 18.368 41.580 -6.034 1.00 25.00 H new ATOM 0 HE22 GLN A 2 18.296 43.013 -7.065 1.00 25.00 H new ATOM 31 N GLN A 3 18.041 36.979 -8.829 1.00 25.00 N ATOM 32 CA GLN A 3 16.976 36.010 -9.073 1.00 25.00 C ATOM 33 C GLN A 3 16.363 36.225 -10.452 1.00 25.00 C ATOM 34 O GLN A 3 16.216 37.361 -10.906 1.00 25.00 O ATOM 35 CB GLN A 3 15.880 36.147 -8.005 1.00 25.00 C ATOM 36 CG GLN A 3 16.316 35.718 -6.592 1.00 25.00 C ATOM 37 CD GLN A 3 17.289 36.686 -5.939 1.00 25.00 C ATOM 38 OE1 GLN A 3 17.027 37.873 -5.830 1.00 25.00 O ATOM 39 NE2 GLN A 3 18.420 36.182 -5.516 1.00 25.00 N ATOM 0 H GLN A 3 17.711 37.916 -8.599 1.00 25.00 H new ATOM 0 HA GLN A 3 17.408 35.010 -9.026 1.00 25.00 H new ATOM 0 HB2 GLN A 3 15.550 37.185 -7.971 1.00 25.00 H new ATOM 0 HB3 GLN A 3 15.020 35.548 -8.305 1.00 25.00 H new ATOM 0 HG2 GLN A 3 15.432 35.622 -5.961 1.00 25.00 H new ATOM 0 HG3 GLN A 3 16.778 34.732 -6.646 1.00 25.00 H new ATOM 0 HE21 GLN A 3 18.606 35.185 -5.623 1.00 25.00 H new ATOM 0 HE22 GLN A 3 19.116 36.786 -5.079 1.00 25.00 H new ATOM 48 N SER A 4 15.974 35.138 -11.100 1.00 25.00 N ATOM 49 CA SER A 4 15.291 35.224 -12.387 1.00 25.00 C ATOM 50 C SER A 4 13.847 35.635 -12.118 1.00 25.00 C ATOM 51 O SER A 4 13.230 35.169 -11.166 1.00 25.00 O ATOM 52 CB SER A 4 15.324 33.875 -13.113 1.00 25.00 C ATOM 53 OG SER A 4 14.695 33.968 -14.381 1.00 25.00 O ATOM 0 H SER A 4 16.118 34.187 -10.759 1.00 25.00 H new ATOM 0 HA SER A 4 15.790 35.954 -13.024 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.357 33.550 -13.238 1.00 25.00 H new ATOM 0 HB3 SER A 4 14.823 33.119 -12.508 1.00 25.00 H new ATOM 0 HG SER A 4 13.787 33.603 -14.323 1.00 25.00 H new ATOM 59 N HIS A 5 13.324 36.524 -12.951 1.00 25.00 N ATOM 60 CA HIS A 5 11.952 37.022 -12.811 1.00 25.00 C ATOM 61 C HIS A 5 11.184 36.707 -14.096 1.00 25.00 C ATOM 62 O HIS A 5 10.241 37.402 -14.471 1.00 25.00 O ATOM 63 CB HIS A 5 11.961 38.536 -12.543 1.00 25.00 C ATOM 64 CG HIS A 5 12.430 38.902 -11.165 1.00 25.00 C ATOM 65 ND1 HIS A 5 13.734 38.855 -10.741 1.00 25.00 N ATOM 66 CD2 HIS A 5 11.727 39.341 -10.085 1.00 25.00 C ATOM 67 CE1 HIS A 5 13.776 39.253 -9.475 1.00 25.00 C ATOM 68 NE2 HIS A 5 12.581 39.568 -9.023 1.00 25.00 N ATOM 0 H HIS A 5 13.832 36.922 -13.741 1.00 25.00 H new ATOM 0 HA HIS A 5 11.464 36.535 -11.967 1.00 25.00 H new ATOM 0 HB2 HIS A 5 12.604 39.022 -13.277 1.00 25.00 H new ATOM 0 HB3 HIS A 5 10.955 38.928 -12.691 1.00 25.00 H new ATOM 0 HD1 HIS A 5 14.534 38.564 -11.302 1.00 25.00 H new ATOM 0 HD2 HIS A 5 10.658 39.490 -10.062 1.00 25.00 H new ATOM 0 HE1 HIS A 5 14.681 39.311 -8.888 1.00 25.00 H new ATOM 76 N SER A 6 11.638 35.684 -14.801 1.00 25.00 N ATOM 77 CA SER A 6 11.044 35.282 -16.074 1.00 25.00 C ATOM 78 C SER A 6 11.312 33.798 -16.242 1.00 25.00 C ATOM 79 O SER A 6 12.007 33.212 -15.426 1.00 25.00 O ATOM 80 CB SER A 6 11.691 36.061 -17.222 1.00 25.00 C ATOM 81 OG SER A 6 11.480 37.453 -17.057 1.00 25.00 O ATOM 0 H SER A 6 12.427 35.107 -14.511 1.00 25.00 H new ATOM 0 HA SER A 6 9.974 35.488 -16.085 1.00 25.00 H new ATOM 0 HB2 SER A 6 12.760 35.850 -17.255 1.00 25.00 H new ATOM 0 HB3 SER A 6 11.272 35.734 -18.173 1.00 25.00 H new ATOM 0 HG SER A 6 11.901 37.938 -17.798 1.00 25.00 H new ATOM 87 N SER A 7 10.799 33.204 -17.310 1.00 25.00 N ATOM 88 CA SER A 7 11.061 31.792 -17.609 1.00 25.00 C ATOM 89 C SER A 7 11.742 31.627 -18.972 1.00 25.00 C ATOM 90 O SER A 7 11.107 31.218 -19.944 1.00 25.00 O ATOM 91 CB SER A 7 9.751 31.007 -17.579 1.00 25.00 C ATOM 92 OG SER A 7 9.088 31.214 -16.341 1.00 25.00 O ATOM 0 H SER A 7 10.198 33.673 -17.988 1.00 25.00 H new ATOM 0 HA SER A 7 11.737 31.402 -16.848 1.00 25.00 H new ATOM 0 HB2 SER A 7 9.109 31.323 -18.402 1.00 25.00 H new ATOM 0 HB3 SER A 7 9.951 29.945 -17.721 1.00 25.00 H new ATOM 0 HG SER A 7 8.248 30.709 -16.331 1.00 25.00 H new ATOM 98 N PRO A 8 13.038 31.982 -19.072 1.00 25.00 N ATOM 99 CA PRO A 8 13.725 31.799 -20.355 1.00 25.00 C ATOM 100 C PRO A 8 14.078 30.328 -20.588 1.00 25.00 C ATOM 101 O PRO A 8 13.779 29.472 -19.760 1.00 25.00 O ATOM 102 CB PRO A 8 14.980 32.659 -20.183 1.00 25.00 C ATOM 103 CG PRO A 8 15.296 32.536 -18.752 1.00 25.00 C ATOM 104 CD PRO A 8 13.959 32.527 -18.052 1.00 25.00 C ATOM 0 HA PRO A 8 13.123 32.083 -21.218 1.00 25.00 H new ATOM 0 HB2 PRO A 8 15.799 32.300 -20.806 1.00 25.00 H new ATOM 0 HB3 PRO A 8 14.796 33.696 -20.464 1.00 25.00 H new ATOM 0 HG2 PRO A 8 15.853 31.622 -18.549 1.00 25.00 H new ATOM 0 HG3 PRO A 8 15.913 33.368 -18.412 1.00 25.00 H new ATOM 0 HD2 PRO A 8 13.979 31.906 -17.157 1.00 25.00 H new ATOM 0 HD3 PRO A 8 13.663 33.528 -17.739 1.00 25.00 H new ATOM 112 N GLY A 9 14.752 30.039 -21.693 1.00 25.00 N ATOM 113 CA GLY A 9 15.168 28.673 -22.001 1.00 25.00 C ATOM 114 C GLY A 9 16.387 28.208 -21.214 1.00 25.00 C ATOM 115 O GLY A 9 17.276 27.570 -21.761 1.00 25.00 O ATOM 0 H GLY A 9 15.023 30.730 -22.392 1.00 25.00 H new ATOM 0 HA2 GLY A 9 14.338 27.996 -21.800 1.00 25.00 H new ATOM 0 HA3 GLY A 9 15.386 28.601 -23.067 1.00 25.00 H new ATOM 119 N GLU A 10 16.426 28.520 -19.929 1.00 25.00 N ATOM 120 CA GLU A 10 17.547 28.182 -19.045 1.00 25.00 C ATOM 121 C GLU A 10 17.442 26.747 -18.510 1.00 25.00 C ATOM 122 O GLU A 10 17.926 26.422 -17.433 1.00 25.00 O ATOM 123 CB GLU A 10 17.611 29.207 -17.896 1.00 25.00 C ATOM 124 CG GLU A 10 16.371 29.240 -16.975 1.00 25.00 C ATOM 125 CD GLU A 10 16.383 30.438 -16.019 1.00 25.00 C ATOM 126 OE1 GLU A 10 17.407 31.151 -15.958 1.00 25.00 O ATOM 127 OE2 GLU A 10 15.344 30.701 -15.373 1.00 25.00 O ATOM 0 H GLU A 10 15.674 29.022 -19.457 1.00 25.00 H new ATOM 0 HA GLU A 10 18.472 28.228 -19.620 1.00 25.00 H new ATOM 0 HB2 GLU A 10 18.490 28.993 -17.288 1.00 25.00 H new ATOM 0 HB3 GLU A 10 17.753 30.200 -18.323 1.00 25.00 H new ATOM 0 HG2 GLU A 10 15.469 29.276 -17.586 1.00 25.00 H new ATOM 0 HG3 GLU A 10 16.327 28.317 -16.396 1.00 25.00 H new ATOM 134 N ILE A 11 16.819 25.886 -19.303 1.00 25.00 N ATOM 135 CA ILE A 11 16.548 24.522 -18.981 1.00 25.00 C ATOM 136 C ILE A 11 17.803 23.689 -18.834 1.00 25.00 C ATOM 137 O ILE A 11 17.857 22.636 -18.201 1.00 25.00 O ATOM 138 CB ILE A 11 15.638 23.995 -20.123 1.00 25.00 C ATOM 139 CG1 ILE A 11 14.425 24.938 -20.378 1.00 25.00 C ATOM 140 CG2 ILE A 11 15.177 22.665 -19.830 1.00 25.00 C ATOM 141 CD1 ILE A 11 13.492 25.203 -19.159 1.00 25.00 C ATOM 0 H ILE A 11 16.479 26.148 -20.228 1.00 25.00 H new ATOM 0 HA ILE A 11 16.061 24.448 -18.009 1.00 25.00 H new ATOM 0 HB ILE A 11 16.239 23.972 -21.032 1.00 25.00 H new ATOM 0 HG12 ILE A 11 14.805 25.896 -20.734 1.00 25.00 H new ATOM 0 HG13 ILE A 11 13.825 24.514 -21.183 1.00 25.00 H new ATOM 0 HG21 ILE A 11 14.541 22.313 -20.642 1.00 25.00 H new ATOM 0 HG22 ILE A 11 16.033 21.998 -19.725 1.00 25.00 H new ATOM 0 HG23 ILE A 11 14.607 22.674 -18.901 1.00 25.00 H new ATOM 0 HD11 ILE A 11 12.685 25.872 -19.457 1.00 25.00 H new ATOM 0 HD12 ILE A 11 13.071 24.260 -18.811 1.00 25.00 H new ATOM 0 HD13 ILE A 11 14.066 25.663 -18.355 1.00 25.00 H new ATOM 153 N THR A 12 18.828 24.266 -19.387 1.00 25.00 N ATOM 154 CA THR A 12 20.188 23.748 -19.324 1.00 25.00 C ATOM 155 C THR A 12 21.118 24.829 -18.805 1.00 25.00 C ATOM 156 O THR A 12 21.800 25.523 -19.559 1.00 25.00 O ATOM 157 CB THR A 12 20.689 23.264 -20.671 1.00 25.00 C ATOM 158 OG1 THR A 12 20.521 24.291 -21.652 1.00 25.00 O ATOM 159 CG2 THR A 12 19.927 22.032 -21.133 1.00 25.00 C ATOM 0 H THR A 12 18.753 25.137 -19.913 1.00 25.00 H new ATOM 0 HA THR A 12 20.177 22.892 -18.650 1.00 25.00 H new ATOM 0 HB THR A 12 21.743 23.012 -20.558 1.00 25.00 H new ATOM 0 HG1 THR A 12 20.912 25.127 -21.321 1.00 25.00 H new ATOM 0 HG21 THR A 12 20.309 21.710 -22.101 1.00 25.00 H new ATOM 0 HG22 THR A 12 20.057 21.230 -20.406 1.00 25.00 H new ATOM 0 HG23 THR A 12 18.868 22.272 -21.223 1.00 25.00 H new ATOM 167 N SER A 13 21.107 24.973 -17.499 1.00 25.00 N ATOM 168 CA SER A 13 21.916 25.965 -16.802 1.00 25.00 C ATOM 169 C SER A 13 22.041 25.515 -15.358 1.00 25.00 C ATOM 170 O SER A 13 21.385 24.557 -14.951 1.00 25.00 O ATOM 171 CB SER A 13 21.248 27.342 -16.850 1.00 25.00 C ATOM 172 OG SER A 13 20.078 27.360 -16.056 1.00 25.00 O ATOM 0 H SER A 13 20.533 24.402 -16.879 1.00 25.00 H new ATOM 0 HA SER A 13 22.893 26.049 -17.277 1.00 25.00 H new ATOM 0 HB2 SER A 13 21.945 28.102 -16.496 1.00 25.00 H new ATOM 0 HB3 SER A 13 20.998 27.594 -17.880 1.00 25.00 H new ATOM 0 HG SER A 13 19.323 27.019 -16.579 1.00 25.00 H new ATOM 178 N SER A 14 22.849 26.224 -14.583 1.00 25.00 N ATOM 179 CA SER A 14 23.021 25.934 -13.161 1.00 25.00 C ATOM 180 C SER A 14 22.624 27.140 -12.311 1.00 25.00 C ATOM 181 O SER A 14 23.487 27.848 -11.787 1.00 25.00 O ATOM 182 CB SER A 14 24.474 25.570 -12.893 1.00 25.00 C ATOM 183 OG SER A 14 24.814 24.396 -13.604 1.00 25.00 O ATOM 0 H SER A 14 23.403 27.013 -14.917 1.00 25.00 H new ATOM 0 HA SER A 14 22.376 25.098 -12.892 1.00 25.00 H new ATOM 0 HB2 SER A 14 25.125 26.390 -13.195 1.00 25.00 H new ATOM 0 HB3 SER A 14 24.629 25.417 -11.825 1.00 25.00 H new ATOM 0 HG SER A 14 25.705 24.499 -13.999 1.00 25.00 H new ATOM 189 N PRO A 15 21.310 27.390 -12.148 1.00 25.00 N ATOM 190 CA PRO A 15 20.899 28.589 -11.402 1.00 25.00 C ATOM 191 C PRO A 15 21.146 28.499 -9.913 1.00 25.00 C ATOM 192 O PRO A 15 21.135 29.490 -9.200 1.00 25.00 O ATOM 193 CB PRO A 15 19.408 28.669 -11.699 1.00 25.00 C ATOM 194 CG PRO A 15 18.992 27.264 -11.875 1.00 25.00 C ATOM 195 CD PRO A 15 20.132 26.644 -12.640 1.00 25.00 C ATOM 0 HA PRO A 15 21.471 29.466 -11.703 1.00 25.00 H new ATOM 0 HB2 PRO A 15 18.865 29.145 -10.882 1.00 25.00 H new ATOM 0 HB3 PRO A 15 19.213 29.256 -12.596 1.00 25.00 H new ATOM 0 HG2 PRO A 15 18.838 26.769 -10.916 1.00 25.00 H new ATOM 0 HG3 PRO A 15 18.054 27.191 -12.426 1.00 25.00 H new ATOM 0 HD2 PRO A 15 20.218 25.576 -12.440 1.00 25.00 H new ATOM 0 HD3 PRO A 15 20.004 26.757 -13.717 1.00 25.00 H new ATOM 203 N GLN A 16 21.446 27.296 -9.468 1.00 25.00 N ATOM 204 CA GLN A 16 21.848 27.058 -8.084 1.00 25.00 C ATOM 205 C GLN A 16 23.240 27.643 -7.804 1.00 25.00 C ATOM 206 O GLN A 16 23.703 27.613 -6.675 1.00 25.00 O ATOM 207 CB GLN A 16 21.861 25.556 -7.784 1.00 25.00 C ATOM 208 CG GLN A 16 20.498 24.889 -7.940 1.00 25.00 C ATOM 209 CD GLN A 16 20.479 23.480 -7.382 1.00 25.00 C ATOM 210 OE1 GLN A 16 21.364 22.680 -7.644 1.00 25.00 O ATOM 211 NE2 GLN A 16 19.475 23.176 -6.602 1.00 25.00 N ATOM 0 H GLN A 16 21.420 26.456 -10.046 1.00 25.00 H new ATOM 0 HA GLN A 16 21.123 27.553 -7.438 1.00 25.00 H new ATOM 0 HB2 GLN A 16 22.573 25.068 -8.449 1.00 25.00 H new ATOM 0 HB3 GLN A 16 22.218 25.401 -6.766 1.00 25.00 H new ATOM 0 HG2 GLN A 16 19.743 25.489 -7.432 1.00 25.00 H new ATOM 0 HG3 GLN A 16 20.228 24.863 -8.996 1.00 25.00 H new ATOM 0 HE21 GLN A 16 18.754 23.870 -6.405 1.00 25.00 H new ATOM 0 HE22 GLN A 16 19.413 22.245 -6.190 1.00 25.00 H new ATOM 220 N GLY A 17 23.911 28.143 -8.838 1.00 25.00 N ATOM 221 CA GLY A 17 25.238 28.719 -8.674 1.00 25.00 C ATOM 222 C GLY A 17 26.272 27.656 -8.378 1.00 25.00 C ATOM 223 O GLY A 17 27.327 27.936 -7.821 1.00 25.00 O ATOM 0 H GLY A 17 23.557 28.160 -9.795 1.00 25.00 H new ATOM 0 HA2 GLY A 17 25.517 29.257 -9.580 1.00 25.00 H new ATOM 0 HA3 GLY A 17 25.222 29.448 -7.863 1.00 25.00 H new ATOM 227 N LEU A 18 25.954 26.419 -8.736 1.00 25.00 N ATOM 228 CA LEU A 18 26.821 25.284 -8.410 1.00 25.00 C ATOM 229 C LEU A 18 28.152 25.317 -9.170 1.00 25.00 C ATOM 230 O LEU A 18 29.183 24.938 -8.629 1.00 25.00 O ATOM 231 CB LEU A 18 26.068 23.963 -8.599 1.00 25.00 C ATOM 232 CG LEU A 18 25.877 23.433 -10.020 1.00 25.00 C ATOM 233 CD1 LEU A 18 26.998 22.480 -10.363 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.530 22.738 -10.131 1.00 25.00 C ATOM 0 H LEU A 18 25.108 26.172 -9.249 1.00 25.00 H new ATOM 0 HA LEU A 18 27.090 25.366 -7.357 1.00 25.00 H new ATOM 0 HB2 LEU A 18 26.592 23.197 -8.027 1.00 25.00 H new ATOM 0 HB3 LEU A 18 25.081 24.076 -8.151 1.00 25.00 H new ATOM 0 HG LEU A 18 25.899 24.264 -10.725 1.00 25.00 H new ATOM 0 HD11 LEU A 18 26.859 22.104 -11.377 1.00 25.00 H new ATOM 0 HD12 LEU A 18 27.952 23.002 -10.298 1.00 25.00 H new ATOM 0 HD13 LEU A 18 26.993 21.645 -9.662 1.00 25.00 H new ATOM 0 HD21 LEU A 18 24.397 22.362 -11.145 1.00 25.00 H new ATOM 0 HD22 LEU A 18 24.490 21.907 -9.427 1.00 25.00 H new ATOM 0 HD23 LEU A 18 23.735 23.447 -9.900 1.00 25.00 H new ATOM 246 N ASP A 19 28.132 25.820 -10.398 1.00 25.00 N ATOM 247 CA ASP A 19 29.352 25.935 -11.204 1.00 25.00 C ATOM 248 C ASP A 19 30.072 27.232 -10.868 1.00 25.00 C ATOM 249 O ASP A 19 31.224 27.449 -11.239 1.00 25.00 O ATOM 250 CB ASP A 19 29.002 25.942 -12.693 1.00 25.00 C ATOM 251 CG ASP A 19 28.503 24.599 -13.174 1.00 25.00 C ATOM 252 OD1 ASP A 19 27.429 24.568 -13.810 1.00 25.00 O ATOM 253 OD2 ASP A 19 29.150 23.574 -12.892 1.00 25.00 O ATOM 0 H ASP A 19 27.288 26.156 -10.862 1.00 25.00 H new ATOM 0 HA ASP A 19 29.994 25.083 -10.982 1.00 25.00 H new ATOM 0 HB2 ASP A 19 28.240 26.698 -12.881 1.00 25.00 H new ATOM 0 HB3 ASP A 19 29.882 26.227 -13.269 1.00 25.00 H new ATOM 258 N ASN A 20 29.371 28.118 -10.176 1.00 25.00 N ATOM 259 CA ASN A 20 29.893 29.426 -9.845 1.00 25.00 C ATOM 260 C ASN A 20 29.758 29.744 -8.366 1.00 25.00 C ATOM 261 O ASN A 20 28.974 30.617 -7.974 1.00 25.00 O ATOM 262 CB ASN A 20 29.134 30.477 -10.645 1.00 25.00 C ATOM 263 CG ASN A 20 29.473 30.462 -12.106 1.00 25.00 C ATOM 264 OD1 ASN A 20 28.697 30.012 -12.924 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.608 31.011 -12.448 1.00 25.00 N ATOM 0 H ASN A 20 28.427 27.946 -9.831 1.00 25.00 H new ATOM 0 HA ASN A 20 30.955 29.431 -10.091 1.00 25.00 H new ATOM 0 HB2 ASN A 20 28.063 30.313 -10.525 1.00 25.00 H new ATOM 0 HB3 ASN A 20 29.353 31.464 -10.237 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.869 31.073 -13.432 1.00 25.00 H new ATOM 0 HD22 ASN A 20 31.234 31.378 -11.731 1.00 25.00 H new ATOM 272 N PRO A 21 30.588 29.112 -7.524 1.00 25.00 N ATOM 273 CA PRO A 21 30.557 29.438 -6.098 1.00 25.00 C ATOM 274 C PRO A 21 30.885 30.899 -5.823 1.00 25.00 C ATOM 275 O PRO A 21 30.408 31.471 -4.859 1.00 25.00 O ATOM 276 CB PRO A 21 31.633 28.513 -5.511 1.00 25.00 C ATOM 277 CG PRO A 21 32.495 28.198 -6.643 1.00 25.00 C ATOM 278 CD PRO A 21 31.615 28.100 -7.813 1.00 25.00 C ATOM 0 HA PRO A 21 29.568 29.296 -5.663 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.189 29.006 -4.713 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.193 27.612 -5.084 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.248 28.973 -6.786 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.028 27.262 -6.478 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.147 28.315 -8.740 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.185 27.103 -7.915 1.00 25.00 H new ATOM 286 N ALA A 22 31.667 31.523 -6.697 1.00 25.00 N ATOM 287 CA ALA A 22 32.004 32.932 -6.536 1.00 25.00 C ATOM 288 C ALA A 22 30.745 33.801 -6.605 1.00 25.00 C ATOM 289 O ALA A 22 30.575 34.717 -5.803 1.00 25.00 O ATOM 290 CB ALA A 22 33.011 33.350 -7.611 1.00 25.00 C ATOM 0 H ALA A 22 32.077 31.079 -7.519 1.00 25.00 H new ATOM 0 HA ALA A 22 32.457 33.076 -5.555 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.260 34.404 -7.486 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.916 32.750 -7.515 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.575 33.194 -8.598 1.00 25.00 H new ATOM 296 N LEU A 23 29.866 33.493 -7.551 1.00 25.00 N ATOM 297 CA LEU A 23 28.631 34.255 -7.733 1.00 25.00 C ATOM 298 C LEU A 23 27.613 33.875 -6.672 1.00 25.00 C ATOM 299 O LEU A 23 26.838 34.705 -6.234 1.00 25.00 O ATOM 300 CB LEU A 23 28.020 33.998 -9.118 1.00 25.00 C ATOM 301 CG LEU A 23 28.892 34.281 -10.354 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.079 33.998 -11.618 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.413 35.707 -10.397 1.00 25.00 C ATOM 0 H LEU A 23 29.983 32.720 -8.206 1.00 25.00 H new ATOM 0 HA LEU A 23 28.883 35.312 -7.644 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.711 32.953 -9.159 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.116 34.601 -9.202 1.00 25.00 H new ATOM 0 HG LEU A 23 29.761 33.625 -10.295 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.692 34.197 -12.497 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.766 32.954 -11.623 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.199 34.641 -11.636 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.021 35.845 -11.291 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.573 36.401 -10.418 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.020 35.899 -9.512 1.00 25.00 H new ATOM 315 N LEU A 24 27.625 32.619 -6.250 1.00 25.00 N ATOM 316 CA LEU A 24 26.708 32.159 -5.215 1.00 25.00 C ATOM 317 C LEU A 24 27.019 32.873 -3.911 1.00 25.00 C ATOM 318 O LEU A 24 26.137 33.417 -3.263 1.00 25.00 O ATOM 319 CB LEU A 24 26.854 30.651 -5.018 1.00 25.00 C ATOM 320 CG LEU A 24 25.592 29.930 -4.535 1.00 25.00 C ATOM 321 CD1 LEU A 24 25.852 28.452 -4.382 1.00 25.00 C ATOM 322 CD2 LEU A 24 24.946 30.478 -3.310 1.00 25.00 C ATOM 0 H LEU A 24 28.257 31.902 -6.606 1.00 25.00 H new ATOM 0 HA LEU A 24 25.685 32.380 -5.520 1.00 25.00 H new ATOM 0 HB2 LEU A 24 27.168 30.206 -5.962 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.653 30.471 -4.299 1.00 25.00 H new ATOM 0 HG LEU A 24 24.863 30.113 -5.324 1.00 25.00 H new ATOM 0 HD11 LEU A 24 24.944 27.957 -4.038 1.00 25.00 H new ATOM 0 HD12 LEU A 24 26.152 28.034 -5.343 1.00 25.00 H new ATOM 0 HD13 LEU A 24 26.648 28.296 -3.654 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.064 29.885 -3.067 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.650 30.438 -2.479 1.00 25.00 H new ATOM 0 HD23 LEU A 24 24.651 31.512 -3.486 1.00 25.00 H new ATOM 334 N ARG A 25 28.294 32.898 -3.556 1.00 25.00 N ATOM 335 CA ARG A 25 28.762 33.590 -2.364 1.00 25.00 C ATOM 336 C ARG A 25 28.360 35.058 -2.452 1.00 25.00 C ATOM 337 O ARG A 25 27.898 35.632 -1.481 1.00 25.00 O ATOM 338 CB ARG A 25 30.286 33.428 -2.278 1.00 25.00 C ATOM 339 CG ARG A 25 30.980 34.185 -1.141 1.00 25.00 C ATOM 340 CD ARG A 25 32.335 34.723 -1.594 1.00 25.00 C ATOM 341 NE ARG A 25 32.158 35.664 -2.715 1.00 25.00 N ATOM 342 CZ ARG A 25 32.890 36.744 -2.950 1.00 25.00 C ATOM 343 NH1 ARG A 25 33.919 37.071 -2.207 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.571 37.514 -3.953 1.00 25.00 N ATOM 0 H ARG A 25 29.035 32.439 -4.086 1.00 25.00 H new ATOM 0 HA ARG A 25 28.314 33.171 -1.463 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.513 32.367 -2.173 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.720 33.755 -3.223 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.349 35.010 -0.809 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.114 33.522 -0.286 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.832 35.224 -0.763 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.979 33.898 -1.900 1.00 25.00 H new ATOM 0 HE ARG A 25 31.402 35.466 -3.371 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.182 36.486 -1.414 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.457 37.911 -2.422 1.00 25.00 H new ATOM 0 HH21 ARG A 25 31.770 37.281 -4.541 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.122 38.349 -4.150 1.00 25.00 H new ATOM 358 N ASP A 26 28.504 35.652 -3.624 1.00 25.00 N ATOM 359 CA ASP A 26 28.148 37.059 -3.815 1.00 25.00 C ATOM 360 C ASP A 26 26.641 37.295 -3.638 1.00 25.00 C ATOM 361 O ASP A 26 26.225 38.211 -2.934 1.00 25.00 O ATOM 362 CB ASP A 26 28.586 37.512 -5.206 1.00 25.00 C ATOM 363 CG ASP A 26 28.948 38.974 -5.248 1.00 25.00 C ATOM 364 OD1 ASP A 26 30.052 39.306 -4.753 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.185 39.778 -5.813 1.00 25.00 O ATOM 0 H ASP A 26 28.863 35.189 -4.459 1.00 25.00 H new ATOM 0 HA ASP A 26 28.665 37.644 -3.054 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.443 36.919 -5.525 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.783 37.319 -5.917 1.00 25.00 H new ATOM 370 N MET A 27 25.830 36.426 -4.231 1.00 25.00 N ATOM 371 CA MET A 27 24.372 36.518 -4.118 1.00 25.00 C ATOM 372 C MET A 27 23.944 36.337 -2.681 1.00 25.00 C ATOM 373 O MET A 27 23.104 37.069 -2.193 1.00 25.00 O ATOM 374 CB MET A 27 23.705 35.445 -4.973 1.00 25.00 C ATOM 375 CG MET A 27 22.182 35.517 -4.967 1.00 25.00 C ATOM 376 SD MET A 27 21.430 34.296 -6.063 1.00 25.00 S ATOM 377 CE MET A 27 21.712 32.738 -5.150 1.00 25.00 C ATOM 0 H MET A 27 26.156 35.644 -4.799 1.00 25.00 H new ATOM 0 HA MET A 27 24.067 37.504 -4.467 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.060 35.538 -5.999 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.015 34.463 -4.616 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.818 35.362 -3.951 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.867 36.516 -5.270 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.220 31.917 -5.671 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.782 32.540 -5.090 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.302 32.827 -4.144 1.00 25.00 H new ATOM 387 N LEU A 28 24.534 35.369 -1.998 1.00 25.00 N ATOM 388 CA LEU A 28 24.226 35.145 -0.592 1.00 25.00 C ATOM 389 C LEU A 28 24.554 36.351 0.275 1.00 25.00 C ATOM 390 O LEU A 28 23.762 36.732 1.120 1.00 25.00 O ATOM 391 CB LEU A 28 25.009 33.974 -0.076 1.00 25.00 C ATOM 392 CG LEU A 28 24.392 32.616 -0.360 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.451 31.622 -0.085 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.177 32.342 0.506 1.00 25.00 C ATOM 0 H LEU A 28 25.225 34.729 -2.390 1.00 25.00 H new ATOM 0 HA LEU A 28 23.154 34.957 -0.534 1.00 25.00 H new ATOM 0 HB2 LEU A 28 26.007 34.002 -0.514 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.130 34.083 1.002 1.00 25.00 H new ATOM 0 HG LEU A 28 24.041 32.571 -1.391 1.00 25.00 H new ATOM 0 HD11 LEU A 28 25.066 30.619 -0.272 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.305 31.810 -0.736 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.764 31.702 0.956 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.772 31.359 0.265 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.466 32.368 1.557 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.418 33.102 0.320 1.00 25.00 H new ATOM 406 N LEU A 29 25.710 36.962 0.061 1.00 25.00 N ATOM 407 CA LEU A 29 26.112 38.130 0.850 1.00 25.00 C ATOM 408 C LEU A 29 25.144 39.281 0.605 1.00 25.00 C ATOM 409 O LEU A 29 24.828 40.049 1.509 1.00 25.00 O ATOM 410 CB LEU A 29 27.537 38.561 0.476 1.00 25.00 C ATOM 411 CG LEU A 29 28.663 37.631 0.962 1.00 25.00 C ATOM 412 CD1 LEU A 29 29.949 37.912 0.186 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.911 37.779 2.465 1.00 25.00 C ATOM 0 H LEU A 29 26.386 36.675 -0.647 1.00 25.00 H new ATOM 0 HA LEU A 29 26.091 37.862 1.906 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.600 38.641 -0.609 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.714 39.558 0.880 1.00 25.00 H new ATOM 0 HG LEU A 29 28.347 36.604 0.778 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.739 37.248 0.538 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.778 37.740 -0.877 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.249 38.948 0.342 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.713 37.106 2.769 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.196 38.807 2.687 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.001 37.529 3.010 1.00 25.00 H new ATOM 425 N ALA A 30 24.651 39.368 -0.621 1.00 25.00 N ATOM 426 CA ALA A 30 23.690 40.396 -0.999 1.00 25.00 C ATOM 427 C ALA A 30 22.254 40.048 -0.564 1.00 25.00 C ATOM 428 O ALA A 30 21.358 40.889 -0.665 1.00 25.00 O ATOM 429 CB ALA A 30 23.743 40.602 -2.521 1.00 25.00 C ATOM 0 H ALA A 30 24.903 38.733 -1.378 1.00 25.00 H new ATOM 0 HA ALA A 30 23.965 41.315 -0.482 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.026 41.370 -2.809 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.746 40.915 -2.811 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.495 39.667 -3.024 1.00 25.00 H new ATOM 435 N ASN A 31 22.021 38.816 -0.125 1.00 25.00 N ATOM 436 CA ASN A 31 20.669 38.370 0.213 1.00 25.00 C ATOM 437 C ASN A 31 20.527 37.977 1.687 1.00 25.00 C ATOM 438 O ASN A 31 20.854 36.854 2.077 1.00 25.00 O ATOM 439 CB ASN A 31 20.296 37.181 -0.665 1.00 25.00 C ATOM 440 CG ASN A 31 18.820 36.930 -0.686 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.142 37.001 0.336 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.305 36.649 -1.849 1.00 25.00 N ATOM 0 H ASN A 31 22.745 38.109 0.006 1.00 25.00 H new ATOM 0 HA ASN A 31 19.996 39.209 0.035 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.646 37.359 -1.682 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.809 36.290 -0.303 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.303 36.478 -1.935 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.904 36.600 -2.673 1.00 25.00 H new ATOM 449 N PRO A 32 19.991 38.881 2.524 1.00 25.00 N ATOM 450 CA PRO A 32 19.910 38.551 3.952 1.00 25.00 C ATOM 451 C PRO A 32 18.985 37.380 4.304 1.00 25.00 C ATOM 452 O PRO A 32 19.187 36.721 5.318 1.00 25.00 O ATOM 453 CB PRO A 32 19.416 39.860 4.574 1.00 25.00 C ATOM 454 CG PRO A 32 18.663 40.524 3.476 1.00 25.00 C ATOM 455 CD PRO A 32 19.473 40.237 2.259 1.00 25.00 C ATOM 0 HA PRO A 32 20.873 38.202 4.325 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.779 39.675 5.439 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.247 40.477 4.917 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.653 40.125 3.386 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.568 41.596 3.649 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.867 40.269 1.353 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.279 40.960 2.129 1.00 25.00 H new ATOM 463 N HIS A 33 17.985 37.104 3.481 1.00 25.00 N ATOM 464 CA HIS A 33 17.079 35.986 3.744 1.00 25.00 C ATOM 465 C HIS A 33 17.748 34.656 3.400 1.00 25.00 C ATOM 466 O HIS A 33 17.610 33.662 4.107 1.00 25.00 O ATOM 467 CB HIS A 33 15.806 36.140 2.910 1.00 25.00 C ATOM 468 CG HIS A 33 14.781 35.084 3.185 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.890 35.120 4.231 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.508 33.919 2.531 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.140 34.023 4.178 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.469 33.257 3.156 1.00 25.00 N ATOM 0 H HIS A 33 17.778 37.630 2.632 1.00 25.00 H new ATOM 0 HA HIS A 33 16.828 35.992 4.805 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.369 37.119 3.106 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.069 36.114 1.852 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.028 33.566 1.653 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.358 33.788 4.885 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.048 32.368 2.886 1.00 25.00 H new ATOM 480 N GLU A 34 18.470 34.649 2.293 1.00 25.00 N ATOM 481 CA GLU A 34 19.082 33.430 1.772 1.00 25.00 C ATOM 482 C GLU A 34 20.285 33.074 2.627 1.00 25.00 C ATOM 483 O GLU A 34 20.519 31.924 2.956 1.00 25.00 O ATOM 484 CB GLU A 34 19.493 33.655 0.317 1.00 25.00 C ATOM 485 CG GLU A 34 18.461 33.204 -0.709 1.00 25.00 C ATOM 486 CD GLU A 34 18.340 31.687 -0.813 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.308 30.972 -0.477 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.271 31.213 -1.255 1.00 25.00 O ATOM 0 H GLU A 34 18.650 35.480 1.730 1.00 25.00 H new ATOM 0 HA GLU A 34 18.372 32.604 1.807 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.693 34.716 0.169 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.427 33.125 0.131 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.490 33.622 -0.446 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.728 33.608 -1.685 1.00 25.00 H new ATOM 495 N LEU A 35 21.014 34.084 3.067 1.00 25.00 N ATOM 496 CA LEU A 35 22.141 33.851 3.954 1.00 25.00 C ATOM 497 C LEU A 35 21.652 33.312 5.302 1.00 25.00 C ATOM 498 O LEU A 35 22.352 32.558 5.968 1.00 25.00 O ATOM 499 CB LEU A 35 22.979 35.112 4.057 1.00 25.00 C ATOM 500 CG LEU A 35 22.732 36.227 5.070 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.988 35.855 6.521 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.677 37.318 4.644 1.00 25.00 C ATOM 0 H LEU A 35 20.850 35.062 2.829 1.00 25.00 H new ATOM 0 HA LEU A 35 22.795 33.080 3.547 1.00 25.00 H new ATOM 0 HB2 LEU A 35 24.006 34.782 4.214 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.942 35.582 3.074 1.00 25.00 H new ATOM 0 HG LEU A 35 21.677 36.502 5.061 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.784 36.715 7.159 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.336 35.029 6.805 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.029 35.553 6.641 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.575 38.171 5.315 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.701 36.947 4.682 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.440 37.627 3.626 1.00 25.00 H new ATOM 514 N SER A 36 20.446 33.707 5.691 1.00 25.00 N ATOM 515 CA SER A 36 19.856 33.282 6.959 1.00 25.00 C ATOM 516 C SER A 36 19.385 31.840 6.883 1.00 25.00 C ATOM 517 O SER A 36 19.621 31.074 7.800 1.00 25.00 O ATOM 518 CB SER A 36 18.683 34.183 7.347 1.00 25.00 C ATOM 519 OG SER A 36 18.230 33.879 8.655 1.00 25.00 O ATOM 0 H SER A 36 19.851 34.327 5.142 1.00 25.00 H new ATOM 0 HA SER A 36 20.630 33.362 7.722 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.988 35.228 7.296 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.868 34.054 6.635 1.00 25.00 H new ATOM 0 HG SER A 36 17.480 34.466 8.886 1.00 25.00 H new ATOM 525 N LEU A 37 18.751 31.450 5.786 1.00 25.00 N ATOM 526 CA LEU A 37 18.294 30.069 5.636 1.00 25.00 C ATOM 527 C LEU A 37 19.464 29.160 5.562 1.00 25.00 C ATOM 528 O LEU A 37 19.410 28.005 5.924 1.00 25.00 O ATOM 529 CB LEU A 37 17.409 29.904 4.423 1.00 25.00 C ATOM 530 CG LEU A 37 17.847 29.911 2.952 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.510 28.623 2.519 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.605 30.158 2.094 1.00 25.00 C ATOM 0 H LEU A 37 18.542 32.058 4.995 1.00 25.00 H new ATOM 0 HA LEU A 37 17.695 29.810 6.509 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.895 28.954 4.567 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.657 30.689 4.505 1.00 25.00 H new ATOM 0 HG LEU A 37 18.592 30.697 2.826 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.795 28.695 1.469 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.399 28.450 3.125 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.815 27.794 2.650 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.886 30.168 1.041 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.879 29.364 2.268 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.163 31.118 2.361 1.00 25.00 H new ATOM 544 N LEU A 38 20.533 29.695 5.036 1.00 25.00 N ATOM 545 CA LEU A 38 21.732 28.937 4.891 1.00 25.00 C ATOM 546 C LEU A 38 22.333 28.573 6.233 1.00 25.00 C ATOM 547 O LEU A 38 22.685 27.436 6.450 1.00 25.00 O ATOM 548 CB LEU A 38 22.681 29.739 4.056 1.00 25.00 C ATOM 549 CG LEU A 38 23.935 28.964 3.649 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.573 27.843 2.708 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.941 29.877 3.011 1.00 25.00 C ATOM 0 H LEU A 38 20.591 30.657 4.702 1.00 25.00 H new ATOM 0 HA LEU A 38 21.514 27.989 4.398 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.165 30.079 3.158 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.977 30.630 4.610 1.00 25.00 H new ATOM 0 HG LEU A 38 24.382 28.538 4.547 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.475 27.299 2.426 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.879 27.163 3.202 1.00 25.00 H new ATOM 0 HD13 LEU A 38 23.103 28.255 1.815 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.825 29.305 2.729 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.506 30.333 2.122 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.224 30.657 3.718 1.00 25.00 H new ATOM 563 N LYS A 39 22.392 29.511 7.163 1.00 25.00 N ATOM 564 CA LYS A 39 22.836 29.165 8.528 1.00 25.00 C ATOM 565 C LYS A 39 21.778 28.377 9.290 1.00 25.00 C ATOM 566 O LYS A 39 22.115 27.596 10.157 1.00 25.00 O ATOM 567 CB LYS A 39 23.290 30.393 9.330 1.00 25.00 C ATOM 568 CG LYS A 39 22.375 31.613 9.243 1.00 25.00 C ATOM 569 CD LYS A 39 22.855 32.763 10.132 1.00 25.00 C ATOM 570 CE LYS A 39 24.140 33.383 9.578 1.00 25.00 C ATOM 571 NZ LYS A 39 24.623 34.539 10.395 1.00 25.00 N ATOM 0 H LYS A 39 22.149 30.491 7.019 1.00 25.00 H new ATOM 0 HA LYS A 39 23.707 28.521 8.406 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.385 30.106 10.377 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.284 30.681 8.987 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.324 31.953 8.209 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.364 31.328 9.535 1.00 25.00 H new ATOM 0 HD2 LYS A 39 22.078 33.525 10.199 1.00 25.00 H new ATOM 0 HD3 LYS A 39 23.030 32.397 11.144 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.918 32.621 9.539 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.966 33.714 8.554 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 25.662 34.579 10.360 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 24.229 35.423 10.013 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.314 34.420 11.381 1.00 25.00 H new ATOM 585 N GLU A 40 20.518 28.554 8.931 1.00 25.00 N ATOM 586 CA GLU A 40 19.419 27.807 9.547 1.00 25.00 C ATOM 587 C GLU A 40 19.479 26.329 9.145 1.00 25.00 C ATOM 588 O GLU A 40 19.311 25.441 9.971 1.00 25.00 O ATOM 589 CB GLU A 40 18.090 28.412 9.069 1.00 25.00 C ATOM 590 CG GLU A 40 16.830 27.814 9.667 1.00 25.00 C ATOM 591 CD GLU A 40 15.577 28.239 8.896 1.00 25.00 C ATOM 592 OE1 GLU A 40 14.525 27.586 9.067 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.661 29.168 8.059 1.00 25.00 O ATOM 0 H GLU A 40 20.223 29.213 8.211 1.00 25.00 H new ATOM 0 HA GLU A 40 19.501 27.873 10.632 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.101 29.480 9.289 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.037 28.310 7.985 1.00 25.00 H new ATOM 0 HG2 GLU A 40 16.907 26.727 9.664 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.739 28.124 10.708 1.00 25.00 H new ATOM 600 N ARG A 41 19.667 26.076 7.854 1.00 25.00 N ATOM 601 CA ARG A 41 19.607 24.699 7.323 1.00 25.00 C ATOM 602 C ARG A 41 20.922 24.024 6.932 1.00 25.00 C ATOM 603 O ARG A 41 20.994 22.803 6.864 1.00 25.00 O ATOM 604 CB ARG A 41 18.688 24.691 6.109 1.00 25.00 C ATOM 605 CG ARG A 41 17.314 25.249 6.431 1.00 25.00 C ATOM 606 CD ARG A 41 16.244 24.794 5.449 1.00 25.00 C ATOM 607 NE ARG A 41 15.741 25.912 4.629 1.00 25.00 N ATOM 608 CZ ARG A 41 14.874 26.833 5.040 1.00 25.00 C ATOM 609 NH1 ARG A 41 14.384 26.848 6.249 1.00 25.00 N ATOM 610 NH2 ARG A 41 14.499 27.767 4.212 1.00 25.00 N ATOM 0 H ARG A 41 19.861 26.792 7.154 1.00 25.00 H new ATOM 0 HA ARG A 41 19.246 24.109 8.166 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.139 25.278 5.309 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.587 23.671 5.738 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.030 24.942 7.438 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.361 26.338 6.431 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.653 24.021 4.798 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.416 24.344 5.997 1.00 25.00 H new ATOM 0 HE ARG A 41 16.085 25.985 3.672 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.664 26.134 6.922 1.00 25.00 H new ATOM 0 HH12 ARG A 41 13.721 27.574 6.522 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.870 27.785 3.262 1.00 25.00 H new ATOM 0 HH22 ARG A 41 13.835 28.480 4.514 1.00 25.00 H new ATOM 624 N ASN A 42 21.939 24.808 6.625 1.00 25.00 N ATOM 625 CA ASN A 42 23.246 24.276 6.195 1.00 25.00 C ATOM 626 C ASN A 42 24.430 24.956 6.898 1.00 25.00 C ATOM 627 O ASN A 42 25.226 25.653 6.249 1.00 25.00 O ATOM 628 CB ASN A 42 23.410 24.475 4.684 1.00 25.00 C ATOM 629 CG ASN A 42 24.473 23.582 4.087 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.123 22.808 4.765 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.644 23.684 2.801 1.00 25.00 N ATOM 0 H ASN A 42 21.897 25.826 6.662 1.00 25.00 H new ATOM 0 HA ASN A 42 23.255 23.219 6.463 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.458 24.278 4.191 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.663 25.516 4.485 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.340 23.105 2.332 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.082 24.343 2.262 1.00 25.00 H new ATOM 638 N PRO A 43 24.590 24.751 8.219 1.00 25.00 N ATOM 639 CA PRO A 43 25.700 25.458 8.872 1.00 25.00 C ATOM 640 C PRO A 43 27.130 25.281 8.303 1.00 25.00 C ATOM 641 O PRO A 43 27.884 26.256 8.299 1.00 25.00 O ATOM 642 CB PRO A 43 25.600 24.995 10.335 1.00 25.00 C ATOM 643 CG PRO A 43 24.815 23.736 10.291 1.00 25.00 C ATOM 644 CD PRO A 43 23.824 23.946 9.189 1.00 25.00 C ATOM 0 HA PRO A 43 25.578 26.528 8.705 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.588 24.828 10.764 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.107 25.745 10.953 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.455 22.877 10.090 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.316 23.547 11.242 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.490 23.002 8.759 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.934 24.470 9.538 1.00 25.00 H new ATOM 652 N PRO A 44 27.518 24.091 7.768 1.00 25.00 N ATOM 653 CA PRO A 44 28.891 24.128 7.235 1.00 25.00 C ATOM 654 C PRO A 44 29.088 25.020 5.998 1.00 25.00 C ATOM 655 O PRO A 44 30.143 25.628 5.836 1.00 25.00 O ATOM 656 CB PRO A 44 29.163 22.659 6.893 1.00 25.00 C ATOM 657 CG PRO A 44 27.856 22.111 6.591 1.00 25.00 C ATOM 658 CD PRO A 44 26.939 22.743 7.595 1.00 25.00 C ATOM 0 HA PRO A 44 29.574 24.568 7.961 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.838 22.568 6.042 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.630 22.136 7.728 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.552 22.349 5.572 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.852 21.025 6.679 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.912 22.788 7.232 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.922 22.187 8.533 1.00 25.00 H new ATOM 666 N LEU A 45 28.096 25.121 5.117 1.00 25.00 N ATOM 667 CA LEU A 45 28.235 26.018 3.969 1.00 25.00 C ATOM 668 C LEU A 45 28.051 27.447 4.453 1.00 25.00 C ATOM 669 O LEU A 45 28.665 28.379 3.941 1.00 25.00 O ATOM 670 CB LEU A 45 27.241 25.682 2.858 1.00 25.00 C ATOM 671 CG LEU A 45 27.430 26.446 1.528 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.848 26.299 0.946 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.421 25.933 0.505 1.00 25.00 C ATOM 0 H LEU A 45 27.214 24.612 5.169 1.00 25.00 H new ATOM 0 HA LEU A 45 29.229 25.895 3.538 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.303 24.613 2.653 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.234 25.878 3.227 1.00 25.00 H new ATOM 0 HG LEU A 45 27.273 27.503 1.742 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.918 26.858 0.013 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.576 26.689 1.658 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.056 25.246 0.755 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.551 26.470 -0.435 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.580 24.867 0.340 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.410 26.095 0.878 1.00 25.00 H new ATOM 685 N ALA A 46 27.225 27.613 5.473 1.00 25.00 N ATOM 686 CA ALA A 46 27.019 28.933 6.042 1.00 25.00 C ATOM 687 C ALA A 46 28.293 29.531 6.632 1.00 25.00 C ATOM 688 O ALA A 46 28.618 30.659 6.316 1.00 25.00 O ATOM 689 CB ALA A 46 25.957 28.883 7.088 1.00 25.00 C ATOM 0 H ALA A 46 26.695 26.864 5.917 1.00 25.00 H new ATOM 0 HA ALA A 46 26.708 29.581 5.223 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.812 29.879 7.507 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.024 28.537 6.643 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.258 28.197 7.879 1.00 25.00 H new ATOM 695 N GLU A 47 29.023 28.791 7.463 1.00 25.00 N ATOM 696 CA GLU A 47 30.241 29.337 8.095 1.00 25.00 C ATOM 697 C GLU A 47 31.256 29.749 7.033 1.00 25.00 C ATOM 698 O GLU A 47 32.002 30.714 7.195 1.00 25.00 O ATOM 699 CB GLU A 47 30.876 28.357 9.097 1.00 25.00 C ATOM 700 CG GLU A 47 31.288 27.013 8.524 1.00 25.00 C ATOM 701 CD GLU A 47 32.528 26.444 9.197 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.620 27.043 9.025 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.436 25.389 9.851 1.00 25.00 O ATOM 0 H GLU A 47 28.805 27.827 7.717 1.00 25.00 H new ATOM 0 HA GLU A 47 29.938 30.218 8.661 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.755 28.831 9.535 1.00 25.00 H new ATOM 0 HB3 GLU A 47 30.169 28.185 9.909 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.464 26.308 8.633 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.476 27.120 7.456 1.00 25.00 H new ATOM 710 N ALA A 48 31.236 29.033 5.923 1.00 25.00 N ATOM 711 CA ALA A 48 32.070 29.315 4.791 1.00 25.00 C ATOM 712 C ALA A 48 31.769 30.685 4.201 1.00 25.00 C ATOM 713 O ALA A 48 32.680 31.452 3.895 1.00 25.00 O ATOM 714 CB ALA A 48 31.882 28.209 3.763 1.00 25.00 C ATOM 0 H ALA A 48 30.625 28.227 5.791 1.00 25.00 H new ATOM 0 HA ALA A 48 33.113 29.342 5.107 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.510 28.409 2.895 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.164 27.252 4.202 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.837 28.173 3.454 1.00 25.00 H new ATOM 720 N LEU A 49 30.492 31.010 4.107 1.00 25.00 N ATOM 721 CA LEU A 49 30.075 32.321 3.643 1.00 25.00 C ATOM 722 C LEU A 49 30.476 33.395 4.649 1.00 25.00 C ATOM 723 O LEU A 49 30.941 34.463 4.268 1.00 25.00 O ATOM 724 CB LEU A 49 28.555 32.351 3.484 1.00 25.00 C ATOM 725 CG LEU A 49 28.005 33.668 2.931 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.263 33.743 1.436 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.530 33.773 3.254 1.00 25.00 C ATOM 0 H LEU A 49 29.724 30.383 4.346 1.00 25.00 H new ATOM 0 HA LEU A 49 30.560 32.517 2.687 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.255 31.539 2.822 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.096 32.158 4.454 1.00 25.00 H new ATOM 0 HG LEU A 49 28.512 34.513 3.397 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.870 34.682 1.046 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.336 33.693 1.249 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.769 32.908 0.939 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.137 34.711 2.861 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.998 32.937 2.800 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.391 33.747 4.335 1.00 25.00 H new ATOM 739 N LEU A 50 30.276 33.113 5.933 1.00 25.00 N ATOM 740 CA LEU A 50 30.514 34.108 6.989 1.00 25.00 C ATOM 741 C LEU A 50 31.980 34.490 7.053 1.00 25.00 C ATOM 742 O LEU A 50 32.327 35.618 7.372 1.00 25.00 O ATOM 743 CB LEU A 50 30.104 33.579 8.374 1.00 25.00 C ATOM 744 CG LEU A 50 28.720 32.940 8.564 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.425 32.773 10.037 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.593 33.689 7.863 1.00 25.00 C ATOM 0 H LEU A 50 29.951 32.208 6.273 1.00 25.00 H new ATOM 0 HA LEU A 50 29.906 34.976 6.736 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.848 32.841 8.674 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.178 34.410 9.075 1.00 25.00 H new ATOM 0 HG LEU A 50 28.761 31.962 8.084 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.442 32.319 10.162 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.181 32.131 10.489 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.439 33.748 10.524 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.648 33.177 8.044 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.535 34.706 8.252 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.789 33.721 6.791 1.00 25.00 H new ATOM 758 N SER A 51 32.836 33.526 6.754 1.00 25.00 N ATOM 759 CA SER A 51 34.266 33.735 6.770 1.00 25.00 C ATOM 760 C SER A 51 34.719 34.599 5.597 1.00 25.00 C ATOM 761 O SER A 51 35.788 35.195 5.636 1.00 25.00 O ATOM 762 CB SER A 51 34.948 32.390 6.674 1.00 25.00 C ATOM 763 OG SER A 51 34.561 31.533 7.740 1.00 25.00 O ATOM 0 H SER A 51 32.555 32.580 6.495 1.00 25.00 H new ATOM 0 HA SER A 51 34.530 34.248 7.694 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.700 31.922 5.721 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.029 32.527 6.690 1.00 25.00 H new ATOM 0 HG SER A 51 33.646 31.215 7.589 1.00 25.00 H new ATOM 769 N GLY A 52 33.930 34.612 4.530 1.00 25.00 N ATOM 770 CA GLY A 52 34.266 35.389 3.345 1.00 25.00 C ATOM 771 C GLY A 52 35.175 34.639 2.392 1.00 25.00 C ATOM 772 O GLY A 52 35.226 34.953 1.197 1.00 25.00 O ATOM 0 H GLY A 52 33.054 34.094 4.461 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.349 35.665 2.824 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.751 36.316 3.649 1.00 25.00 H new ATOM 776 N ASP A 53 35.886 33.648 2.916 1.00 25.00 N ATOM 777 CA ASP A 53 36.813 32.846 2.123 1.00 25.00 C ATOM 778 C ASP A 53 36.083 32.083 1.030 1.00 25.00 C ATOM 779 O ASP A 53 35.357 31.118 1.294 1.00 25.00 O ATOM 780 CB ASP A 53 37.608 31.878 2.999 1.00 25.00 C ATOM 781 CG ASP A 53 39.075 31.915 2.692 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.410 31.976 1.492 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.891 31.848 3.630 1.00 25.00 O ATOM 0 H ASP A 53 35.838 33.377 3.898 1.00 25.00 H new ATOM 0 HA ASP A 53 37.514 33.537 1.655 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.451 32.127 4.048 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.233 30.865 2.852 1.00 25.00 H new ATOM 788 N LEU A 54 36.280 32.509 -0.208 1.00 25.00 N ATOM 789 CA LEU A 54 35.668 31.834 -1.342 1.00 25.00 C ATOM 790 C LEU A 54 36.224 30.423 -1.379 1.00 25.00 C ATOM 791 O LEU A 54 35.521 29.492 -1.710 1.00 25.00 O ATOM 792 CB LEU A 54 35.985 32.556 -2.654 1.00 25.00 C ATOM 793 CG LEU A 54 35.376 31.988 -3.958 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.273 30.937 -4.613 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.949 31.437 -3.799 1.00 25.00 C ATOM 0 H LEU A 54 36.856 33.315 -0.452 1.00 25.00 H new ATOM 0 HA LEU A 54 34.584 31.828 -1.231 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.656 33.591 -2.554 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.068 32.576 -2.772 1.00 25.00 H new ATOM 0 HG LEU A 54 35.309 32.853 -4.618 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.799 30.571 -5.524 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.236 31.383 -4.859 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.424 30.106 -3.923 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.596 31.058 -4.758 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.951 30.628 -3.068 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.287 32.233 -3.458 1.00 25.00 H new ATOM 807 N GLU A 55 37.479 30.267 -0.998 1.00 25.00 N ATOM 808 CA GLU A 55 38.116 28.954 -1.002 1.00 25.00 C ATOM 809 C GLU A 55 37.318 27.972 -0.164 1.00 25.00 C ATOM 810 O GLU A 55 36.942 26.895 -0.633 1.00 25.00 O ATOM 811 CB GLU A 55 39.529 29.055 -0.433 1.00 25.00 C ATOM 812 CG GLU A 55 40.407 30.053 -1.144 1.00 25.00 C ATOM 813 CD GLU A 55 40.722 29.638 -2.575 1.00 25.00 C ATOM 814 OE1 GLU A 55 41.740 28.951 -2.792 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.930 29.986 -3.485 1.00 25.00 O ATOM 0 H GLU A 55 38.080 31.028 -0.682 1.00 25.00 H new ATOM 0 HA GLU A 55 38.157 28.600 -2.032 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.467 29.327 0.621 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.000 28.073 -0.481 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.914 31.025 -1.151 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.338 30.172 -0.590 1.00 25.00 H new ATOM 822 N LYS A 56 37.016 28.350 1.071 1.00 25.00 N ATOM 823 CA LYS A 56 36.229 27.463 1.927 1.00 25.00 C ATOM 824 C LYS A 56 34.790 27.352 1.440 1.00 25.00 C ATOM 825 O LYS A 56 34.243 26.262 1.442 1.00 25.00 O ATOM 826 CB LYS A 56 36.352 27.811 3.427 1.00 25.00 C ATOM 827 CG LYS A 56 35.581 28.933 3.987 1.00 25.00 C ATOM 828 CD LYS A 56 36.047 29.182 5.444 1.00 25.00 C ATOM 829 CE LYS A 56 35.230 28.378 6.480 1.00 25.00 C ATOM 830 NZ LYS A 56 35.597 28.679 7.902 1.00 25.00 N ATOM 0 H LYS A 56 37.292 29.235 1.496 1.00 25.00 H new ATOM 0 HA LYS A 56 36.659 26.465 1.840 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.081 26.918 3.990 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.405 28.008 3.629 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.729 29.830 3.385 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.515 28.706 3.965 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.100 28.917 5.534 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.966 30.245 5.670 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.170 28.588 6.335 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.373 27.313 6.295 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.034 28.081 8.540 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.608 28.485 8.048 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.403 29.680 8.106 1.00 25.00 H new ATOM 844 N PHE A 57 34.203 28.433 0.944 1.00 25.00 N ATOM 845 CA PHE A 57 32.847 28.360 0.374 1.00 25.00 C ATOM 846 C PHE A 57 32.793 27.362 -0.781 1.00 25.00 C ATOM 847 O PHE A 57 31.955 26.478 -0.784 1.00 25.00 O ATOM 848 CB PHE A 57 32.350 29.743 -0.077 1.00 25.00 C ATOM 849 CG PHE A 57 30.948 29.724 -0.660 1.00 25.00 C ATOM 850 CD1 PHE A 57 29.813 29.848 0.168 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.759 29.571 -2.045 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.495 29.820 -0.394 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.452 29.540 -2.608 1.00 25.00 C ATOM 854 CZ PHE A 57 28.328 29.669 -1.797 1.00 25.00 C ATOM 0 H PHE A 57 34.628 29.360 0.920 1.00 25.00 H new ATOM 0 HA PHE A 57 32.179 28.009 1.161 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.371 30.423 0.775 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.039 30.143 -0.821 1.00 25.00 H new ATOM 0 HD1 PHE A 57 29.938 29.965 1.234 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.619 29.476 -2.692 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.631 29.913 0.247 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.331 29.415 -3.674 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.339 29.654 -2.230 1.00 25.00 H new ATOM 864 N SER A 58 33.710 27.473 -1.730 1.00 25.00 N ATOM 865 CA SER A 58 33.767 26.573 -2.878 1.00 25.00 C ATOM 866 C SER A 58 34.067 25.134 -2.487 1.00 25.00 C ATOM 867 O SER A 58 33.442 24.206 -2.990 1.00 25.00 O ATOM 868 CB SER A 58 34.849 27.060 -3.846 1.00 25.00 C ATOM 869 OG SER A 58 34.886 26.265 -5.015 1.00 25.00 O ATOM 0 H SER A 58 34.437 28.189 -1.728 1.00 25.00 H new ATOM 0 HA SER A 58 32.783 26.586 -3.346 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.658 28.099 -4.116 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.821 27.032 -3.353 1.00 25.00 H new ATOM 0 HG SER A 58 35.584 26.599 -5.616 1.00 25.00 H new ATOM 875 N ARG A 59 35.002 24.933 -1.570 1.00 25.00 N ATOM 876 CA ARG A 59 35.338 23.578 -1.136 1.00 25.00 C ATOM 877 C ARG A 59 34.124 22.917 -0.506 1.00 25.00 C ATOM 878 O ARG A 59 33.780 21.796 -0.850 1.00 25.00 O ATOM 879 CB ARG A 59 36.501 23.616 -0.138 1.00 25.00 C ATOM 880 CG ARG A 59 36.856 22.240 0.455 1.00 25.00 C ATOM 881 CD ARG A 59 36.424 22.133 1.918 1.00 25.00 C ATOM 882 NE ARG A 59 36.286 20.736 2.364 1.00 25.00 N ATOM 883 CZ ARG A 59 36.126 20.345 3.625 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.108 21.193 4.625 1.00 25.00 N ATOM 885 NH2 ARG A 59 35.973 19.080 3.884 1.00 25.00 N ATOM 0 H ARG A 59 35.536 25.675 -1.116 1.00 25.00 H new ATOM 0 HA ARG A 59 35.643 22.995 -2.005 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.381 24.025 -0.635 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.248 24.297 0.675 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.372 21.456 -0.127 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.931 22.076 0.379 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.154 22.642 2.547 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.473 22.649 2.052 1.00 25.00 H new ATOM 0 HE ARG A 59 36.316 20.010 1.648 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.219 22.192 4.449 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.983 20.854 5.579 1.00 25.00 H new ATOM 0 HH21 ARG A 59 35.977 18.400 3.124 1.00 25.00 H new ATOM 0 HH22 ARG A 59 35.849 18.768 4.847 1.00 25.00 H new ATOM 899 N VAL A 60 33.467 23.618 0.401 1.00 25.00 N ATOM 900 CA VAL A 60 32.306 23.069 1.091 1.00 25.00 C ATOM 901 C VAL A 60 31.176 22.887 0.084 1.00 25.00 C ATOM 902 O VAL A 60 30.436 21.924 0.164 1.00 25.00 O ATOM 903 CB VAL A 60 31.881 23.963 2.294 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.631 23.413 2.965 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.018 24.023 3.336 1.00 25.00 C ATOM 0 H VAL A 60 33.715 24.568 0.679 1.00 25.00 H new ATOM 0 HA VAL A 60 32.561 22.097 1.514 1.00 25.00 H new ATOM 0 HB VAL A 60 31.672 24.962 1.911 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.355 24.055 3.802 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.814 23.385 2.244 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.828 22.405 3.330 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.712 24.650 4.173 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.235 23.017 3.696 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.912 24.444 2.875 1.00 25.00 H new ATOM 915 N LEU A 61 31.079 23.770 -0.900 1.00 25.00 N ATOM 916 CA LEU A 61 30.060 23.646 -1.942 1.00 25.00 C ATOM 917 C LEU A 61 30.102 22.265 -2.592 1.00 25.00 C ATOM 918 O LEU A 61 29.067 21.636 -2.774 1.00 25.00 O ATOM 919 CB LEU A 61 30.272 24.711 -3.027 1.00 25.00 C ATOM 920 CG LEU A 61 29.053 24.994 -3.906 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.209 26.026 -3.218 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.431 25.515 -5.293 1.00 25.00 C ATOM 0 H LEU A 61 31.691 24.580 -1.002 1.00 25.00 H new ATOM 0 HA LEU A 61 29.088 23.788 -1.469 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.578 25.641 -2.547 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.097 24.396 -3.667 1.00 25.00 H new ATOM 0 HG LEU A 61 28.517 24.055 -4.047 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.332 26.244 -3.828 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.891 25.647 -2.247 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.790 26.938 -3.079 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.526 25.698 -5.872 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.992 26.444 -5.192 1.00 25.00 H new ATOM 0 HD23 LEU A 61 30.045 24.774 -5.805 1.00 25.00 H new ATOM 934 N VAL A 62 31.290 21.782 -2.920 1.00 25.00 N ATOM 935 CA VAL A 62 31.426 20.465 -3.546 1.00 25.00 C ATOM 936 C VAL A 62 31.067 19.373 -2.553 1.00 25.00 C ATOM 937 O VAL A 62 30.369 18.425 -2.890 1.00 25.00 O ATOM 938 CB VAL A 62 32.883 20.215 -4.041 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.011 18.831 -4.713 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.295 21.298 -5.026 1.00 25.00 C ATOM 0 H VAL A 62 32.171 22.273 -2.767 1.00 25.00 H new ATOM 0 HA VAL A 62 30.749 20.443 -4.400 1.00 25.00 H new ATOM 0 HB VAL A 62 33.542 20.242 -3.173 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.037 18.683 -5.049 1.00 25.00 H new ATOM 0 HG12 VAL A 62 32.748 18.053 -3.996 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.338 18.779 -5.569 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.314 21.113 -5.365 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.620 21.287 -5.882 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.246 22.271 -4.538 1.00 25.00 H new ATOM 950 N GLU A 63 31.531 19.508 -1.323 1.00 25.00 N ATOM 951 CA GLU A 63 31.283 18.496 -0.296 1.00 25.00 C ATOM 952 C GLU A 63 29.782 18.342 -0.041 1.00 25.00 C ATOM 953 O GLU A 63 29.257 17.227 0.007 1.00 25.00 O ATOM 954 CB GLU A 63 32.010 18.874 1.001 1.00 25.00 C ATOM 955 CG GLU A 63 33.528 19.019 0.852 1.00 25.00 C ATOM 956 CD GLU A 63 34.281 17.700 0.856 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.278 17.613 1.613 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.954 16.797 0.058 1.00 25.00 O ATOM 0 H GLU A 63 32.082 20.306 -1.006 1.00 25.00 H new ATOM 0 HA GLU A 63 31.668 17.540 -0.650 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.601 19.814 1.372 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.801 18.115 1.755 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.742 19.544 -0.079 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.904 19.642 1.664 1.00 25.00 H new ATOM 965 N GLN A 64 29.073 19.457 0.059 1.00 25.00 N ATOM 966 CA GLN A 64 27.635 19.409 0.280 1.00 25.00 C ATOM 967 C GLN A 64 26.923 18.887 -0.961 1.00 25.00 C ATOM 968 O GLN A 64 25.930 18.193 -0.843 1.00 25.00 O ATOM 969 CB GLN A 64 27.075 20.781 0.675 1.00 25.00 C ATOM 970 CG GLN A 64 27.709 21.421 1.928 1.00 25.00 C ATOM 971 CD GLN A 64 28.107 20.426 3.009 1.00 25.00 C ATOM 972 OE1 GLN A 64 29.208 19.901 3.016 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.239 20.209 3.943 1.00 25.00 N ATOM 0 H GLN A 64 29.464 20.396 -0.008 1.00 25.00 H new ATOM 0 HA GLN A 64 27.454 18.725 1.109 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.205 21.463 -0.165 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.002 20.682 0.842 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.592 21.984 1.626 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.004 22.137 2.352 1.00 25.00 H new ATOM 0 HE21 GLN A 64 26.327 20.664 3.907 1.00 25.00 H new ATOM 0 HE22 GLN A 64 27.467 19.583 4.715 1.00 25.00 H new ATOM 982 N GLN A 65 27.440 19.166 -2.152 1.00 25.00 N ATOM 983 CA GLN A 65 26.849 18.604 -3.369 1.00 25.00 C ATOM 984 C GLN A 65 27.012 17.085 -3.372 1.00 25.00 C ATOM 985 O GLN A 65 26.096 16.360 -3.762 1.00 25.00 O ATOM 986 CB GLN A 65 27.489 19.182 -4.633 1.00 25.00 C ATOM 987 CG GLN A 65 26.992 20.569 -4.998 1.00 25.00 C ATOM 988 CD GLN A 65 27.591 21.061 -6.289 1.00 25.00 C ATOM 989 OE1 GLN A 65 27.184 20.645 -7.358 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.550 21.944 -6.201 1.00 25.00 N ATOM 0 H GLN A 65 28.251 19.765 -2.304 1.00 25.00 H new ATOM 0 HA GLN A 65 25.792 18.869 -3.372 1.00 25.00 H new ATOM 0 HB2 GLN A 65 28.570 19.219 -4.496 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.296 18.507 -5.467 1.00 25.00 H new ATOM 0 HG2 GLN A 65 25.906 20.554 -5.085 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.238 21.265 -4.196 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.863 22.268 -5.286 1.00 25.00 H new ATOM 0 HE22 GLN A 65 28.986 22.310 -7.048 1.00 25.00 H new ATOM 999 N GLN A 66 28.155 16.599 -2.909 1.00 25.00 N ATOM 1000 CA GLN A 66 28.383 15.160 -2.855 1.00 25.00 C ATOM 1001 C GLN A 66 27.429 14.506 -1.864 1.00 25.00 C ATOM 1002 O GLN A 66 26.930 13.418 -2.130 1.00 25.00 O ATOM 1003 CB GLN A 66 29.820 14.826 -2.449 1.00 25.00 C ATOM 1004 CG GLN A 66 30.857 15.118 -3.516 1.00 25.00 C ATOM 1005 CD GLN A 66 32.191 14.513 -3.165 1.00 25.00 C ATOM 1006 OE1 GLN A 66 32.380 13.307 -3.287 1.00 25.00 O ATOM 1007 NE2 GLN A 66 33.108 15.323 -2.709 1.00 25.00 N ATOM 0 H GLN A 66 28.929 17.169 -2.570 1.00 25.00 H new ATOM 0 HA GLN A 66 28.205 14.773 -3.858 1.00 25.00 H new ATOM 0 HB2 GLN A 66 30.071 15.391 -1.551 1.00 25.00 H new ATOM 0 HB3 GLN A 66 29.874 13.769 -2.187 1.00 25.00 H new ATOM 0 HG2 GLN A 66 30.517 14.723 -4.474 1.00 25.00 H new ATOM 0 HG3 GLN A 66 30.965 16.196 -3.636 1.00 25.00 H new ATOM 0 HE21 GLN A 66 32.911 16.320 -2.623 1.00 25.00 H new ATOM 0 HE22 GLN A 66 34.022 14.959 -2.439 1.00 25.00 H new ATOM 1016 N ASP A 67 27.170 15.144 -0.730 1.00 25.00 N ATOM 1017 CA ASP A 67 26.253 14.557 0.252 1.00 25.00 C ATOM 1018 C ASP A 67 24.804 14.669 -0.175 1.00 25.00 C ATOM 1019 O ASP A 67 24.028 13.734 -0.016 1.00 25.00 O ATOM 1020 CB ASP A 67 26.365 15.218 1.611 1.00 25.00 C ATOM 1021 CG ASP A 67 25.567 14.464 2.670 1.00 25.00 C ATOM 1022 OD1 ASP A 67 25.713 13.221 2.750 1.00 25.00 O ATOM 1023 OD2 ASP A 67 24.724 15.087 3.342 1.00 25.00 O ATOM 0 H ASP A 67 27.568 16.046 -0.467 1.00 25.00 H new ATOM 0 HA ASP A 67 26.549 13.510 0.315 1.00 25.00 H new ATOM 0 HB2 ASP A 67 27.413 15.264 1.908 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.006 16.245 1.547 1.00 25.00 H new ATOM 1028 N ARG A 68 24.428 15.810 -0.733 1.00 25.00 N ATOM 1029 CA ARG A 68 23.037 16.024 -1.144 1.00 25.00 C ATOM 1030 C ARG A 68 22.649 14.993 -2.161 1.00 25.00 C ATOM 1031 O ARG A 68 21.563 14.469 -2.115 1.00 25.00 O ATOM 1032 CB ARG A 68 22.804 17.447 -1.666 1.00 25.00 C ATOM 1033 CG ARG A 68 22.898 17.681 -3.176 1.00 25.00 C ATOM 1034 CD ARG A 68 22.471 19.106 -3.506 1.00 25.00 C ATOM 1035 NE ARG A 68 22.727 19.469 -4.910 1.00 25.00 N ATOM 1036 CZ ARG A 68 21.912 19.232 -5.935 1.00 25.00 C ATOM 1037 NH1 ARG A 68 20.774 18.595 -5.816 1.00 25.00 N ATOM 1038 NH2 ARG A 68 22.256 19.656 -7.118 1.00 25.00 N ATOM 0 H ARG A 68 25.053 16.596 -0.912 1.00 25.00 H new ATOM 0 HA ARG A 68 22.399 15.912 -0.268 1.00 25.00 H new ATOM 0 HB2 ARG A 68 21.814 17.765 -1.339 1.00 25.00 H new ATOM 0 HB3 ARG A 68 23.526 18.104 -1.180 1.00 25.00 H new ATOM 0 HG2 ARG A 68 23.919 17.510 -3.517 1.00 25.00 H new ATOM 0 HG3 ARG A 68 22.262 16.970 -3.704 1.00 25.00 H new ATOM 0 HD2 ARG A 68 21.408 19.220 -3.294 1.00 25.00 H new ATOM 0 HD3 ARG A 68 23.002 19.800 -2.854 1.00 25.00 H new ATOM 0 HE ARG A 68 23.606 19.944 -5.115 1.00 25.00 H new ATOM 0 HH11 ARG A 68 20.474 18.253 -4.903 1.00 25.00 H new ATOM 0 HH12 ARG A 68 20.188 18.441 -6.636 1.00 25.00 H new ATOM 0 HH21 ARG A 68 23.135 20.158 -7.244 1.00 25.00 H new ATOM 0 HH22 ARG A 68 21.647 19.486 -7.918 1.00 25.00 H new ATOM 1052 N ALA A 69 23.591 14.637 -3.012 1.00 25.00 N ATOM 1053 CA ALA A 69 23.382 13.581 -4.009 1.00 25.00 C ATOM 1054 C ALA A 69 22.990 12.235 -3.364 1.00 25.00 C ATOM 1055 O ALA A 69 22.249 11.448 -3.956 1.00 25.00 O ATOM 1056 CB ALA A 69 24.641 13.412 -4.860 1.00 25.00 C ATOM 0 H ALA A 69 24.518 15.061 -3.040 1.00 25.00 H new ATOM 0 HA ALA A 69 22.549 13.889 -4.642 1.00 25.00 H new ATOM 0 HB1 ALA A 69 24.479 12.626 -5.598 1.00 25.00 H new ATOM 0 HB2 ALA A 69 24.864 14.349 -5.370 1.00 25.00 H new ATOM 0 HB3 ALA A 69 25.480 13.140 -4.219 1.00 25.00 H new ATOM 1062 N ARG A 70 23.471 11.973 -2.154 1.00 25.00 N ATOM 1063 CA ARG A 70 23.115 10.740 -1.442 1.00 25.00 C ATOM 1064 C ARG A 70 21.688 10.860 -0.930 1.00 25.00 C ATOM 1065 O ARG A 70 20.911 9.919 -1.012 1.00 25.00 O ATOM 1066 CB ARG A 70 24.051 10.480 -0.242 1.00 25.00 C ATOM 1067 CG ARG A 70 25.525 10.814 -0.466 1.00 25.00 C ATOM 1068 CD ARG A 70 26.223 9.964 -1.523 1.00 25.00 C ATOM 1069 NE ARG A 70 27.504 10.599 -1.877 1.00 25.00 N ATOM 1070 CZ ARG A 70 28.466 10.060 -2.614 1.00 25.00 C ATOM 1071 NH1 ARG A 70 28.374 8.853 -3.114 1.00 25.00 N ATOM 1072 NH2 ARG A 70 29.544 10.757 -2.852 1.00 25.00 N ATOM 0 H ARG A 70 24.104 12.589 -1.644 1.00 25.00 H new ATOM 0 HA ARG A 70 23.214 9.908 -2.139 1.00 25.00 H new ATOM 0 HB2 ARG A 70 23.691 11.060 0.608 1.00 25.00 H new ATOM 0 HB3 ARG A 70 23.974 9.428 0.034 1.00 25.00 H new ATOM 0 HG2 ARG A 70 25.605 11.863 -0.753 1.00 25.00 H new ATOM 0 HG3 ARG A 70 26.056 10.701 0.479 1.00 25.00 H new ATOM 0 HD2 ARG A 70 26.394 8.956 -1.144 1.00 25.00 H new ATOM 0 HD3 ARG A 70 25.592 9.869 -2.407 1.00 25.00 H new ATOM 0 HE ARG A 70 27.666 11.541 -1.522 1.00 25.00 H new ATOM 0 HH11 ARG A 70 27.540 8.292 -2.941 1.00 25.00 H new ATOM 0 HH12 ARG A 70 29.136 8.474 -3.676 1.00 25.00 H new ATOM 0 HH21 ARG A 70 29.636 11.700 -2.473 1.00 25.00 H new ATOM 0 HH22 ARG A 70 30.294 10.359 -3.417 1.00 25.00 H new ATOM 1086 N ARG A 71 21.349 12.028 -0.397 1.00 25.00 N ATOM 1087 CA ARG A 71 20.016 12.253 0.185 1.00 25.00 C ATOM 1088 C ARG A 71 18.961 12.326 -0.902 1.00 25.00 C ATOM 1089 O ARG A 71 17.816 11.953 -0.693 1.00 25.00 O ATOM 1090 CB ARG A 71 19.950 13.570 0.989 1.00 25.00 C ATOM 1091 CG ARG A 71 21.191 13.954 1.819 1.00 25.00 C ATOM 1092 CD ARG A 71 21.689 12.859 2.754 1.00 25.00 C ATOM 1093 NE ARG A 71 20.672 12.459 3.741 1.00 25.00 N ATOM 1094 CZ ARG A 71 20.860 11.566 4.704 1.00 25.00 C ATOM 1095 NH1 ARG A 71 22.007 10.954 4.876 1.00 25.00 N ATOM 1096 NH2 ARG A 71 19.875 11.286 5.512 1.00 25.00 N ATOM 0 H ARG A 71 21.970 12.836 -0.352 1.00 25.00 H new ATOM 0 HA ARG A 71 19.828 11.411 0.851 1.00 25.00 H new ATOM 0 HB2 ARG A 71 19.747 14.382 0.291 1.00 25.00 H new ATOM 0 HB3 ARG A 71 19.097 13.510 1.665 1.00 25.00 H new ATOM 0 HG2 ARG A 71 21.997 14.228 1.138 1.00 25.00 H new ATOM 0 HG3 ARG A 71 20.958 14.840 2.409 1.00 25.00 H new ATOM 0 HD2 ARG A 71 21.983 11.989 2.167 1.00 25.00 H new ATOM 0 HD3 ARG A 71 22.580 13.208 3.276 1.00 25.00 H new ATOM 0 HE ARG A 71 19.755 12.901 3.680 1.00 25.00 H new ATOM 0 HH11 ARG A 71 22.792 11.159 4.258 1.00 25.00 H new ATOM 0 HH12 ARG A 71 22.114 10.273 5.628 1.00 25.00 H new ATOM 0 HH21 ARG A 71 18.975 11.752 5.399 1.00 25.00 H new ATOM 0 HH22 ARG A 71 20.005 10.601 6.257 1.00 25.00 H new ATOM 1110 N GLU A 72 19.355 12.846 -2.052 1.00 25.00 N ATOM 1111 CA GLU A 72 18.442 13.113 -3.163 1.00 25.00 C ATOM 1112 C GLU A 72 17.697 11.872 -3.607 1.00 25.00 C ATOM 1113 O GLU A 72 16.541 11.942 -3.978 1.00 25.00 O ATOM 1114 CB GLU A 72 19.217 13.682 -4.356 1.00 25.00 C ATOM 1115 CG GLU A 72 18.414 14.657 -5.185 1.00 25.00 C ATOM 1116 CD GLU A 72 18.218 15.987 -4.468 1.00 25.00 C ATOM 1117 OE1 GLU A 72 17.075 16.282 -4.063 1.00 25.00 O ATOM 1118 OE2 GLU A 72 19.212 16.735 -4.299 1.00 25.00 O ATOM 0 H GLU A 72 20.324 13.099 -2.248 1.00 25.00 H new ATOM 0 HA GLU A 72 17.710 13.837 -2.805 1.00 25.00 H new ATOM 0 HB2 GLU A 72 20.115 14.180 -3.992 1.00 25.00 H new ATOM 0 HB3 GLU A 72 19.545 12.860 -4.992 1.00 25.00 H new ATOM 0 HG2 GLU A 72 18.920 14.828 -6.135 1.00 25.00 H new ATOM 0 HG3 GLU A 72 17.441 14.222 -5.416 1.00 25.00 H new ATOM 1125 N GLN A 73 18.356 10.728 -3.524 1.00 25.00 N ATOM 1126 CA GLN A 73 17.751 9.456 -3.911 1.00 25.00 C ATOM 1127 C GLN A 73 16.478 9.189 -3.097 1.00 25.00 C ATOM 1128 O GLN A 73 15.494 8.676 -3.620 1.00 25.00 O ATOM 1129 CB GLN A 73 18.784 8.341 -3.724 1.00 25.00 C ATOM 1130 CG GLN A 73 19.976 8.497 -4.680 1.00 25.00 C ATOM 1131 CD GLN A 73 21.186 7.696 -4.265 1.00 25.00 C ATOM 1132 OE1 GLN A 73 21.145 6.483 -4.161 1.00 25.00 O ATOM 1133 NE2 GLN A 73 22.283 8.375 -4.056 1.00 25.00 N ATOM 0 H GLN A 73 19.317 10.650 -3.190 1.00 25.00 H new ATOM 0 HA GLN A 73 17.455 9.492 -4.959 1.00 25.00 H new ATOM 0 HB2 GLN A 73 19.142 8.347 -2.694 1.00 25.00 H new ATOM 0 HB3 GLN A 73 18.309 7.374 -3.891 1.00 25.00 H new ATOM 0 HG2 GLN A 73 19.672 8.190 -5.681 1.00 25.00 H new ATOM 0 HG3 GLN A 73 20.250 9.550 -4.739 1.00 25.00 H new ATOM 0 HE21 GLN A 73 22.280 9.390 -4.152 1.00 25.00 H new ATOM 0 HE22 GLN A 73 23.142 7.889 -3.797 1.00 25.00 H new ATOM 1142 N GLU A 74 16.478 9.589 -1.835 1.00 25.00 N ATOM 1143 CA GLU A 74 15.265 9.539 -1.021 1.00 25.00 C ATOM 1144 C GLU A 74 14.328 10.720 -1.300 1.00 25.00 C ATOM 1145 O GLU A 74 13.117 10.569 -1.305 1.00 25.00 O ATOM 1146 CB GLU A 74 15.623 9.513 0.467 1.00 25.00 C ATOM 1147 CG GLU A 74 16.426 8.281 0.881 1.00 25.00 C ATOM 1148 CD GLU A 74 15.697 6.979 0.561 1.00 25.00 C ATOM 1149 OE1 GLU A 74 14.470 6.901 0.798 1.00 25.00 O ATOM 1150 OE2 GLU A 74 16.348 6.031 0.079 1.00 25.00 O ATOM 0 H GLU A 74 17.299 9.951 -1.350 1.00 25.00 H new ATOM 0 HA GLU A 74 14.739 8.624 -1.292 1.00 25.00 H new ATOM 0 HB2 GLU A 74 16.195 10.408 0.710 1.00 25.00 H new ATOM 0 HB3 GLU A 74 14.705 9.552 1.054 1.00 25.00 H new ATOM 0 HG2 GLU A 74 17.389 8.290 0.371 1.00 25.00 H new ATOM 0 HG3 GLU A 74 16.631 8.326 1.951 1.00 25.00 H new ATOM 1157 N ARG A 75 14.880 11.913 -1.491 1.00 25.00 N ATOM 1158 CA ARG A 75 14.050 13.121 -1.637 1.00 25.00 C ATOM 1159 C ARG A 75 13.211 13.152 -2.915 1.00 25.00 C ATOM 1160 O ARG A 75 12.118 13.709 -2.916 1.00 25.00 O ATOM 1161 CB ARG A 75 14.909 14.386 -1.558 1.00 25.00 C ATOM 1162 CG ARG A 75 15.723 14.492 -0.258 1.00 25.00 C ATOM 1163 CD ARG A 75 15.777 15.913 0.303 1.00 25.00 C ATOM 1164 NE ARG A 75 14.643 16.194 1.207 1.00 25.00 N ATOM 1165 CZ ARG A 75 13.651 17.045 0.972 1.00 25.00 C ATOM 1166 NH1 ARG A 75 13.579 17.763 -0.125 1.00 25.00 N ATOM 1167 NH2 ARG A 75 12.713 17.178 1.860 1.00 25.00 N ATOM 0 H ARG A 75 15.885 12.077 -1.549 1.00 25.00 H new ATOM 0 HA ARG A 75 13.349 13.089 -0.803 1.00 25.00 H new ATOM 0 HB2 ARG A 75 15.591 14.406 -2.408 1.00 25.00 H new ATOM 0 HB3 ARG A 75 14.264 15.260 -1.646 1.00 25.00 H new ATOM 0 HG2 ARG A 75 15.289 13.829 0.490 1.00 25.00 H new ATOM 0 HG3 ARG A 75 16.739 14.142 -0.443 1.00 25.00 H new ATOM 0 HD2 ARG A 75 16.714 16.055 0.842 1.00 25.00 H new ATOM 0 HD3 ARG A 75 15.771 16.628 -0.520 1.00 25.00 H new ATOM 0 HE ARG A 75 14.620 15.688 2.092 1.00 25.00 H new ATOM 0 HH11 ARG A 75 14.304 17.679 -0.838 1.00 25.00 H new ATOM 0 HH12 ARG A 75 12.798 18.405 -0.264 1.00 25.00 H new ATOM 0 HH21 ARG A 75 12.746 16.633 2.722 1.00 25.00 H new ATOM 0 HH22 ARG A 75 11.944 17.827 1.696 1.00 25.00 H new ATOM 1181 N ILE A 76 13.681 12.515 -3.980 1.00 25.00 N ATOM 1182 CA ILE A 76 12.908 12.429 -5.237 1.00 25.00 C ATOM 1183 C ILE A 76 11.621 11.624 -5.070 1.00 25.00 C ATOM 1184 O ILE A 76 10.704 11.744 -5.877 1.00 25.00 O ATOM 1185 CB ILE A 76 13.726 11.837 -6.419 1.00 25.00 C ATOM 1186 CG1 ILE A 76 14.226 10.417 -6.086 1.00 25.00 C ATOM 1187 CG2 ILE A 76 14.879 12.789 -6.765 1.00 25.00 C ATOM 1188 CD1 ILE A 76 14.875 9.674 -7.257 1.00 25.00 C ATOM 0 H ILE A 76 14.588 12.049 -4.010 1.00 25.00 H new ATOM 0 HA ILE A 76 12.657 13.462 -5.479 1.00 25.00 H new ATOM 0 HB ILE A 76 13.085 11.743 -7.295 1.00 25.00 H new ATOM 0 HG12 ILE A 76 14.947 10.483 -5.271 1.00 25.00 H new ATOM 0 HG13 ILE A 76 13.385 9.827 -5.721 1.00 25.00 H new ATOM 0 HG21 ILE A 76 15.455 12.377 -7.594 1.00 25.00 H new ATOM 0 HG22 ILE A 76 14.475 13.760 -7.051 1.00 25.00 H new ATOM 0 HG23 ILE A 76 15.527 12.907 -5.896 1.00 25.00 H new ATOM 0 HD11 ILE A 76 15.195 8.685 -6.928 1.00 25.00 H new ATOM 0 HD12 ILE A 76 14.153 9.571 -8.067 1.00 25.00 H new ATOM 0 HD13 ILE A 76 15.739 10.236 -7.611 1.00 25.00 H new ATOM 1200 N ARG A 77 11.546 10.818 -4.017 1.00 25.00 N ATOM 1201 CA ARG A 77 10.323 10.056 -3.713 1.00 25.00 C ATOM 1202 C ARG A 77 9.179 11.007 -3.354 1.00 25.00 C ATOM 1203 O ARG A 77 8.011 10.618 -3.401 1.00 25.00 O ATOM 1204 CB ARG A 77 10.558 9.101 -2.539 1.00 25.00 C ATOM 1205 CG ARG A 77 11.638 8.038 -2.790 1.00 25.00 C ATOM 1206 CD ARG A 77 12.002 7.318 -1.491 1.00 25.00 C ATOM 1207 NE ARG A 77 10.838 6.637 -0.903 1.00 25.00 N ATOM 1208 CZ ARG A 77 10.838 5.976 0.249 1.00 25.00 C ATOM 1209 NH1 ARG A 77 11.902 5.848 0.995 1.00 25.00 N ATOM 1210 NH2 ARG A 77 9.728 5.429 0.660 1.00 25.00 N ATOM 0 H ARG A 77 12.310 10.670 -3.357 1.00 25.00 H new ATOM 0 HA ARG A 77 10.059 9.481 -4.600 1.00 25.00 H new ATOM 0 HB2 ARG A 77 10.838 9.685 -1.662 1.00 25.00 H new ATOM 0 HB3 ARG A 77 9.620 8.599 -2.302 1.00 25.00 H new ATOM 0 HG2 ARG A 77 11.280 7.316 -3.524 1.00 25.00 H new ATOM 0 HG3 ARG A 77 12.526 8.508 -3.212 1.00 25.00 H new ATOM 0 HD2 ARG A 77 12.789 6.590 -1.687 1.00 25.00 H new ATOM 0 HD3 ARG A 77 12.403 8.037 -0.776 1.00 25.00 H new ATOM 0 HE ARG A 77 9.961 6.676 -1.422 1.00 25.00 H new ATOM 0 HH11 ARG A 77 12.785 6.266 0.701 1.00 25.00 H new ATOM 0 HH12 ARG A 77 11.851 5.330 1.872 1.00 25.00 H new ATOM 0 HH21 ARG A 77 8.880 5.513 0.099 1.00 25.00 H new ATOM 0 HH22 ARG A 77 9.708 4.917 1.542 1.00 25.00 H new ATOM 1224 N LEU A 78 9.549 12.247 -3.033 1.00 25.00 N ATOM 1225 CA LEU A 78 8.641 13.344 -2.709 1.00 25.00 C ATOM 1226 C LEU A 78 7.793 13.034 -1.463 1.00 25.00 C ATOM 1227 O LEU A 78 7.953 11.990 -0.839 1.00 25.00 O ATOM 1228 CB LEU A 78 7.819 13.671 -3.965 1.00 25.00 C ATOM 1229 CG LEU A 78 6.964 14.951 -4.069 1.00 25.00 C ATOM 1230 CD1 LEU A 78 7.817 16.210 -3.871 1.00 25.00 C ATOM 1231 CD2 LEU A 78 6.284 15.003 -5.430 1.00 25.00 C ATOM 0 H LEU A 78 10.530 12.524 -2.990 1.00 25.00 H new ATOM 0 HA LEU A 78 9.202 14.237 -2.432 1.00 25.00 H new ATOM 0 HB2 LEU A 78 8.517 13.690 -4.802 1.00 25.00 H new ATOM 0 HB3 LEU A 78 7.147 12.829 -4.129 1.00 25.00 H new ATOM 0 HG LEU A 78 6.213 14.922 -3.280 1.00 25.00 H new ATOM 0 HD11 LEU A 78 7.185 17.094 -3.950 1.00 25.00 H new ATOM 0 HD12 LEU A 78 8.282 16.183 -2.885 1.00 25.00 H new ATOM 0 HD13 LEU A 78 8.592 16.248 -4.636 1.00 25.00 H new ATOM 0 HD21 LEU A 78 5.681 15.908 -5.501 1.00 25.00 H new ATOM 0 HD22 LEU A 78 7.040 15.009 -6.215 1.00 25.00 H new ATOM 0 HD23 LEU A 78 5.643 14.129 -5.550 1.00 25.00 H new ATOM 1243 N PHE A 79 6.970 14.001 -1.057 1.00 25.00 N ATOM 1244 CA PHE A 79 6.104 13.919 0.114 1.00 25.00 C ATOM 1245 C PHE A 79 6.835 13.604 1.419 1.00 25.00 C ATOM 1246 O PHE A 79 6.253 13.125 2.388 1.00 25.00 O ATOM 1247 CB PHE A 79 5.034 12.893 -0.146 1.00 25.00 C ATOM 1248 CG PHE A 79 4.305 13.101 -1.449 1.00 25.00 C ATOM 1249 CD1 PHE A 79 3.342 14.120 -1.578 1.00 25.00 C ATOM 1250 CD2 PHE A 79 4.587 12.282 -2.561 1.00 25.00 C ATOM 1251 CE1 PHE A 79 2.668 14.328 -2.811 1.00 25.00 C ATOM 1252 CE2 PHE A 79 3.922 12.480 -3.796 1.00 25.00 C ATOM 1253 CZ PHE A 79 2.965 13.508 -3.920 1.00 25.00 C ATOM 0 H PHE A 79 6.887 14.890 -1.551 1.00 25.00 H new ATOM 0 HA PHE A 79 5.674 14.910 0.259 1.00 25.00 H new ATOM 0 HB2 PHE A 79 5.485 11.901 -0.146 1.00 25.00 H new ATOM 0 HB3 PHE A 79 4.314 12.916 0.672 1.00 25.00 H new ATOM 0 HD1 PHE A 79 3.113 14.750 -0.731 1.00 25.00 H new ATOM 0 HD2 PHE A 79 5.319 11.493 -2.470 1.00 25.00 H new ATOM 0 HE1 PHE A 79 1.930 15.112 -2.899 1.00 25.00 H new ATOM 0 HE2 PHE A 79 4.147 11.845 -4.640 1.00 25.00 H new ATOM 0 HZ PHE A 79 2.461 13.667 -4.862 1.00 25.00 H new ATOM 1263 N SER A 80 8.119 13.902 1.422 1.00 25.00 N ATOM 1264 CA SER A 80 8.985 13.663 2.558 1.00 25.00 C ATOM 1265 C SER A 80 9.195 14.977 3.280 1.00 25.00 C ATOM 1266 O SER A 80 9.737 15.935 2.727 1.00 25.00 O ATOM 1267 CB SER A 80 10.322 13.083 2.098 1.00 25.00 C ATOM 1268 OG SER A 80 11.153 12.799 3.207 1.00 25.00 O ATOM 0 H SER A 80 8.596 14.323 0.625 1.00 25.00 H new ATOM 0 HA SER A 80 8.525 12.940 3.231 1.00 25.00 H new ATOM 0 HB2 SER A 80 10.151 12.173 1.523 1.00 25.00 H new ATOM 0 HB3 SER A 80 10.821 13.789 1.435 1.00 25.00 H new ATOM 0 HG SER A 80 11.580 13.625 3.516 1.00 25.00 H new ATOM 1274 N ALA A 81 8.719 15.016 4.509 1.00 25.00 N ATOM 1275 CA ALA A 81 8.834 16.185 5.378 1.00 25.00 C ATOM 1276 C ALA A 81 9.996 15.976 6.362 1.00 25.00 C ATOM 1277 O ALA A 81 9.843 16.149 7.569 1.00 25.00 O ATOM 1278 CB ALA A 81 7.511 16.402 6.128 1.00 25.00 C ATOM 0 H ALA A 81 8.235 14.230 4.943 1.00 25.00 H new ATOM 0 HA ALA A 81 9.040 17.074 4.781 1.00 25.00 H new ATOM 0 HB1 ALA A 81 7.599 17.274 6.776 1.00 25.00 H new ATOM 0 HB2 ALA A 81 6.707 16.563 5.409 1.00 25.00 H new ATOM 0 HB3 ALA A 81 7.287 15.523 6.732 1.00 25.00 H new ATOM 1284 N ASP A 82 11.129 15.531 5.841 1.00 25.00 N ATOM 1285 CA ASP A 82 12.308 15.252 6.663 1.00 25.00 C ATOM 1286 C ASP A 82 12.887 16.554 7.261 1.00 25.00 C ATOM 1287 O ASP A 82 12.958 17.578 6.573 1.00 25.00 O ATOM 1288 CB ASP A 82 13.393 14.492 5.859 1.00 25.00 C ATOM 1289 CG ASP A 82 13.603 15.040 4.440 1.00 25.00 C ATOM 1290 OD1 ASP A 82 14.743 15.395 4.082 1.00 25.00 O ATOM 1291 OD2 ASP A 82 12.650 14.974 3.627 1.00 25.00 O ATOM 0 H ASP A 82 11.262 15.353 4.846 1.00 25.00 H new ATOM 0 HA ASP A 82 11.989 14.610 7.484 1.00 25.00 H new ATOM 0 HB2 ASP A 82 14.337 14.541 6.402 1.00 25.00 H new ATOM 0 HB3 ASP A 82 13.116 13.440 5.796 1.00 25.00 H new ATOM 1296 N PRO A 83 13.265 16.534 8.561 1.00 25.00 N ATOM 1297 CA PRO A 83 13.769 17.736 9.243 1.00 25.00 C ATOM 1298 C PRO A 83 15.226 18.075 8.919 1.00 25.00 C ATOM 1299 O PRO A 83 15.953 17.256 8.353 1.00 25.00 O ATOM 1300 CB PRO A 83 13.638 17.351 10.718 1.00 25.00 C ATOM 1301 CG PRO A 83 13.898 15.911 10.729 1.00 25.00 C ATOM 1302 CD PRO A 83 13.209 15.391 9.495 1.00 25.00 C ATOM 0 HA PRO A 83 13.219 18.627 8.940 1.00 25.00 H new ATOM 0 HB2 PRO A 83 14.354 17.891 11.337 1.00 25.00 H new ATOM 0 HB3 PRO A 83 12.645 17.581 11.105 1.00 25.00 H new ATOM 0 HG2 PRO A 83 14.967 15.701 10.704 1.00 25.00 H new ATOM 0 HG3 PRO A 83 13.502 15.444 11.631 1.00 25.00 H new ATOM 0 HD2 PRO A 83 13.718 14.516 9.090 1.00 25.00 H new ATOM 0 HD3 PRO A 83 12.181 15.094 9.704 1.00 25.00 H new ATOM 1310 N PHE A 84 15.657 19.268 9.314 1.00 25.00 N ATOM 1311 CA PHE A 84 17.041 19.717 9.077 1.00 25.00 C ATOM 1312 C PHE A 84 17.713 20.208 10.335 1.00 25.00 C ATOM 1313 O PHE A 84 18.906 20.496 10.391 1.00 25.00 O ATOM 1314 CB PHE A 84 17.044 20.841 8.037 1.00 25.00 C ATOM 1315 CG PHE A 84 16.245 22.048 8.468 1.00 25.00 C ATOM 1316 CD1 PHE A 84 16.801 22.997 9.352 1.00 25.00 C ATOM 1317 CD2 PHE A 84 14.921 22.227 8.021 1.00 25.00 C ATOM 1318 CE1 PHE A 84 16.044 24.104 9.793 1.00 25.00 C ATOM 1319 CE2 PHE A 84 14.156 23.341 8.453 1.00 25.00 C ATOM 1320 CZ PHE A 84 14.722 24.279 9.341 1.00 25.00 C ATOM 0 H PHE A 84 15.074 19.949 9.801 1.00 25.00 H new ATOM 0 HA PHE A 84 17.602 18.855 8.717 1.00 25.00 H new ATOM 0 HB2 PHE A 84 18.073 21.144 7.841 1.00 25.00 H new ATOM 0 HB3 PHE A 84 16.640 20.461 7.099 1.00 25.00 H new ATOM 0 HD1 PHE A 84 17.818 22.875 9.695 1.00 25.00 H new ATOM 0 HD2 PHE A 84 14.484 21.509 7.343 1.00 25.00 H new ATOM 0 HE1 PHE A 84 16.479 24.817 10.477 1.00 25.00 H new ATOM 0 HE2 PHE A 84 13.143 23.470 8.103 1.00 25.00 H new ATOM 0 HZ PHE A 84 14.144 25.128 9.673 1.00 25.00 H new ATOM 1330 N ASP A 85 16.894 20.278 11.347 1.00 25.00 N ATOM 1331 CA ASP A 85 17.211 20.829 12.655 1.00 25.00 C ATOM 1332 C ASP A 85 17.832 19.750 13.535 1.00 25.00 C ATOM 1333 O ASP A 85 17.497 19.587 14.695 1.00 25.00 O ATOM 1334 CB ASP A 85 15.937 21.429 13.285 1.00 25.00 C ATOM 1335 CG ASP A 85 14.710 20.515 13.146 1.00 25.00 C ATOM 1336 OD1 ASP A 85 14.164 20.072 14.175 1.00 25.00 O ATOM 1337 OD2 ASP A 85 14.261 20.280 11.987 1.00 25.00 O ATOM 0 H ASP A 85 15.934 19.937 11.289 1.00 25.00 H new ATOM 0 HA ASP A 85 17.943 21.631 12.556 1.00 25.00 H new ATOM 0 HB2 ASP A 85 16.119 21.625 14.342 1.00 25.00 H new ATOM 0 HB3 ASP A 85 15.723 22.389 12.815 1.00 25.00 H new ATOM 1342 N LEU A 86 18.772 19.019 12.956 1.00 25.00 N ATOM 1343 CA LEU A 86 19.507 18.002 13.698 1.00 25.00 C ATOM 1344 C LEU A 86 20.507 18.698 14.625 1.00 25.00 C ATOM 1345 O LEU A 86 20.816 18.205 15.703 1.00 25.00 O ATOM 1346 CB LEU A 86 20.212 17.035 12.732 1.00 25.00 C ATOM 1347 CG LEU A 86 21.259 17.617 11.761 1.00 25.00 C ATOM 1348 CD1 LEU A 86 22.681 17.345 12.261 1.00 25.00 C ATOM 1349 CD2 LEU A 86 21.077 17.013 10.370 1.00 25.00 C ATOM 0 H LEU A 86 19.045 19.109 11.977 1.00 25.00 H new ATOM 0 HA LEU A 86 18.819 17.409 14.300 1.00 25.00 H new ATOM 0 HB2 LEU A 86 20.701 16.265 13.328 1.00 25.00 H new ATOM 0 HB3 LEU A 86 19.445 16.538 12.138 1.00 25.00 H new ATOM 0 HG LEU A 86 21.111 18.696 11.709 1.00 25.00 H new ATOM 0 HD11 LEU A 86 23.400 17.766 11.558 1.00 25.00 H new ATOM 0 HD12 LEU A 86 22.817 17.806 13.239 1.00 25.00 H new ATOM 0 HD13 LEU A 86 22.839 16.270 12.342 1.00 25.00 H new ATOM 0 HD21 LEU A 86 21.821 17.431 9.692 1.00 25.00 H new ATOM 0 HD22 LEU A 86 21.201 15.931 10.424 1.00 25.00 H new ATOM 0 HD23 LEU A 86 20.078 17.245 10.000 1.00 25.00 H new ATOM 1361 N GLU A 87 21.016 19.841 14.181 1.00 25.00 N ATOM 1362 CA GLU A 87 21.909 20.662 15.001 1.00 25.00 C ATOM 1363 C GLU A 87 21.110 21.586 15.933 1.00 25.00 C ATOM 1364 O GLU A 87 21.454 21.736 17.104 1.00 25.00 O ATOM 1365 CB GLU A 87 22.888 21.438 14.107 1.00 25.00 C ATOM 1366 CG GLU A 87 22.257 22.367 13.069 1.00 25.00 C ATOM 1367 CD GLU A 87 22.378 23.823 13.469 1.00 25.00 C ATOM 1368 OE1 GLU A 87 21.338 24.441 13.761 1.00 25.00 O ATOM 1369 OE2 GLU A 87 23.515 24.334 13.554 1.00 25.00 O ATOM 0 H GLU A 87 20.827 20.224 13.255 1.00 25.00 H new ATOM 0 HA GLU A 87 22.499 20.008 15.643 1.00 25.00 H new ATOM 0 HB2 GLU A 87 23.541 22.031 14.747 1.00 25.00 H new ATOM 0 HB3 GLU A 87 23.520 20.719 13.585 1.00 25.00 H new ATOM 0 HG2 GLU A 87 22.739 22.214 12.104 1.00 25.00 H new ATOM 0 HG3 GLU A 87 21.205 22.111 12.944 1.00 25.00 H new ATOM 1376 N ALA A 88 20.039 22.162 15.393 1.00 25.00 N ATOM 1377 CA ALA A 88 19.102 23.042 16.112 1.00 25.00 C ATOM 1378 C ALA A 88 19.768 24.088 17.035 1.00 25.00 C ATOM 1379 O ALA A 88 19.451 24.197 18.223 1.00 25.00 O ATOM 1380 CB ALA A 88 18.097 22.191 16.879 1.00 25.00 C ATOM 0 H ALA A 88 19.786 22.030 14.414 1.00 25.00 H new ATOM 0 HA ALA A 88 18.596 23.637 15.352 1.00 25.00 H new ATOM 0 HB1 ALA A 88 17.402 22.840 17.412 1.00 25.00 H new ATOM 0 HB2 ALA A 88 17.544 21.563 16.180 1.00 25.00 H new ATOM 0 HB3 ALA A 88 18.625 21.560 17.594 1.00 25.00 H new ATOM 1386 N GLN A 89 20.681 24.858 16.467 1.00 25.00 N ATOM 1387 CA GLN A 89 21.406 25.897 17.196 1.00 25.00 C ATOM 1388 C GLN A 89 20.751 27.267 17.004 1.00 25.00 C ATOM 1389 O GLN A 89 19.892 27.447 16.145 1.00 25.00 O ATOM 1390 CB GLN A 89 22.858 25.948 16.707 1.00 25.00 C ATOM 1391 CG GLN A 89 23.628 24.658 16.976 1.00 25.00 C ATOM 1392 CD GLN A 89 23.744 24.357 18.456 1.00 25.00 C ATOM 1393 OE1 GLN A 89 24.350 25.110 19.208 1.00 25.00 O ATOM 1394 NE2 GLN A 89 23.155 23.275 18.884 1.00 25.00 N ATOM 0 H GLN A 89 20.944 24.784 15.484 1.00 25.00 H new ATOM 0 HA GLN A 89 21.380 25.652 18.258 1.00 25.00 H new ATOM 0 HB2 GLN A 89 22.867 26.153 15.636 1.00 25.00 H new ATOM 0 HB3 GLN A 89 23.370 26.778 17.194 1.00 25.00 H new ATOM 0 HG2 GLN A 89 23.128 23.828 16.477 1.00 25.00 H new ATOM 0 HG3 GLN A 89 24.626 24.736 16.544 1.00 25.00 H new ATOM 0 HE21 GLN A 89 22.659 22.671 18.229 1.00 25.00 H new ATOM 0 HE22 GLN A 89 23.190 23.033 19.874 1.00 25.00 H new ATOM 1403 N ALA A 90 21.180 28.242 17.796 1.00 25.00 N ATOM 1404 CA ALA A 90 20.675 29.609 17.695 1.00 25.00 C ATOM 1405 C ALA A 90 21.861 30.568 17.581 1.00 25.00 C ATOM 1406 O ALA A 90 22.885 30.379 18.235 1.00 25.00 O ATOM 1407 CB ALA A 90 19.821 29.946 18.926 1.00 25.00 C ATOM 0 H ALA A 90 21.883 28.111 18.523 1.00 25.00 H new ATOM 0 HA ALA A 90 20.047 29.708 16.810 1.00 25.00 H new ATOM 0 HB1 ALA A 90 19.449 30.967 18.842 1.00 25.00 H new ATOM 0 HB2 ALA A 90 18.979 29.256 18.984 1.00 25.00 H new ATOM 0 HB3 ALA A 90 20.428 29.854 19.826 1.00 25.00 H new ATOM 1413 N LYS A 91 21.725 31.586 16.741 1.00 25.00 N ATOM 1414 CA LYS A 91 22.800 32.563 16.551 1.00 25.00 C ATOM 1415 C LYS A 91 22.811 33.585 17.675 1.00 25.00 C ATOM 1416 O LYS A 91 21.784 33.849 18.298 1.00 25.00 O ATOM 1417 CB LYS A 91 22.661 33.282 15.198 1.00 25.00 C ATOM 1418 CG LYS A 91 21.491 34.276 15.115 1.00 25.00 C ATOM 1419 CD LYS A 91 21.583 35.093 13.846 1.00 25.00 C ATOM 1420 CE LYS A 91 20.687 36.316 13.904 1.00 25.00 C ATOM 1421 NZ LYS A 91 21.015 37.248 12.774 1.00 25.00 N ATOM 0 H LYS A 91 20.889 31.760 16.182 1.00 25.00 H new ATOM 0 HA LYS A 91 23.743 32.017 16.562 1.00 25.00 H new ATOM 0 HB2 LYS A 91 23.588 33.815 14.989 1.00 25.00 H new ATOM 0 HB3 LYS A 91 22.540 32.533 14.415 1.00 25.00 H new ATOM 0 HG2 LYS A 91 20.544 33.736 15.140 1.00 25.00 H new ATOM 0 HG3 LYS A 91 21.504 34.936 15.982 1.00 25.00 H new ATOM 0 HD2 LYS A 91 22.615 35.405 13.687 1.00 25.00 H new ATOM 0 HD3 LYS A 91 21.302 34.475 12.993 1.00 25.00 H new ATOM 0 HE2 LYS A 91 19.641 36.014 13.845 1.00 25.00 H new ATOM 0 HE3 LYS A 91 20.818 36.828 14.858 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 20.562 38.169 12.941 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 22.046 37.374 12.716 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 20.664 36.847 11.881 1.00 25.00 H new ATOM 1435 N ILE A 92 23.968 34.189 17.886 1.00 25.00 N ATOM 1436 CA ILE A 92 24.145 35.220 18.890 1.00 25.00 C ATOM 1437 C ILE A 92 24.963 36.355 18.273 1.00 25.00 C ATOM 1438 O ILE A 92 26.187 36.315 18.264 1.00 25.00 O ATOM 1439 CB ILE A 92 24.855 34.667 20.150 1.00 25.00 C ATOM 1440 CG1 ILE A 92 25.746 33.450 19.804 1.00 25.00 C ATOM 1441 CG2 ILE A 92 23.799 34.293 21.224 1.00 25.00 C ATOM 1442 CD1 ILE A 92 26.714 33.040 20.926 1.00 25.00 C ATOM 0 H ILE A 92 24.816 33.975 17.361 1.00 25.00 H new ATOM 0 HA ILE A 92 23.168 35.585 19.206 1.00 25.00 H new ATOM 0 HB ILE A 92 25.507 35.443 20.550 1.00 25.00 H new ATOM 0 HG12 ILE A 92 25.106 32.601 19.564 1.00 25.00 H new ATOM 0 HG13 ILE A 92 26.322 33.679 18.907 1.00 25.00 H new ATOM 0 HG21 ILE A 92 24.302 33.904 22.109 1.00 25.00 H new ATOM 0 HG22 ILE A 92 23.224 35.179 21.493 1.00 25.00 H new ATOM 0 HG23 ILE A 92 23.128 33.533 20.825 1.00 25.00 H new ATOM 0 HD11 ILE A 92 27.301 32.180 20.604 1.00 25.00 H new ATOM 0 HD12 ILE A 92 27.382 33.871 21.152 1.00 25.00 H new ATOM 0 HD13 ILE A 92 26.146 32.777 21.819 1.00 25.00 H new ATOM 1454 N GLU A 93 24.241 37.344 17.751 1.00 25.00 N ATOM 1455 CA GLU A 93 24.776 38.519 17.096 1.00 25.00 C ATOM 1456 C GLU A 93 25.777 38.295 15.938 1.00 25.00 C ATOM 1457 O GLU A 93 26.124 37.169 15.599 1.00 25.00 O ATOM 1458 CB GLU A 93 25.341 39.415 18.171 1.00 25.00 C ATOM 1459 CG GLU A 93 24.677 40.767 18.193 1.00 25.00 C ATOM 1460 CD GLU A 93 25.323 41.725 19.184 1.00 25.00 C ATOM 1461 OE1 GLU A 93 26.520 42.039 19.027 1.00 25.00 O ATOM 1462 OE2 GLU A 93 24.620 42.174 20.115 1.00 25.00 O ATOM 0 H GLU A 93 23.221 37.341 17.778 1.00 25.00 H new ATOM 0 HA GLU A 93 23.944 38.982 16.565 1.00 25.00 H new ATOM 0 HB2 GLU A 93 25.218 38.936 19.142 1.00 25.00 H new ATOM 0 HB3 GLU A 93 26.412 39.541 18.011 1.00 25.00 H new ATOM 0 HG2 GLU A 93 24.717 41.203 17.195 1.00 25.00 H new ATOM 0 HG3 GLU A 93 23.624 40.645 18.446 1.00 25.00 H new ATOM 1469 N GLU A 94 26.170 39.381 15.282 1.00 25.00 N ATOM 1470 CA GLU A 94 27.096 39.325 14.146 1.00 25.00 C ATOM 1471 C GLU A 94 27.815 40.666 13.991 1.00 25.00 C ATOM 1472 O GLU A 94 27.171 41.705 13.900 1.00 25.00 O ATOM 1473 CB GLU A 94 26.352 39.071 12.826 1.00 25.00 C ATOM 1474 CG GLU A 94 26.218 37.596 12.407 1.00 25.00 C ATOM 1475 CD GLU A 94 24.846 36.974 12.701 1.00 25.00 C ATOM 1476 OE1 GLU A 94 23.804 37.660 12.550 1.00 25.00 O ATOM 1477 OE2 GLU A 94 24.798 35.735 12.863 1.00 25.00 O ATOM 0 H GLU A 94 25.860 40.324 15.518 1.00 25.00 H new ATOM 0 HA GLU A 94 27.795 38.513 14.347 1.00 25.00 H new ATOM 0 HB2 GLU A 94 25.353 39.499 12.906 1.00 25.00 H new ATOM 0 HB3 GLU A 94 26.867 39.610 12.031 1.00 25.00 H new ATOM 0 HG2 GLU A 94 26.418 37.515 11.339 1.00 25.00 H new ATOM 0 HG3 GLU A 94 26.984 37.014 12.920 1.00 25.00 H new ATOM 1484 N ASP A 95 29.134 40.624 13.862 1.00 25.00 N ATOM 1485 CA ASP A 95 29.932 41.820 13.549 1.00 25.00 C ATOM 1486 C ASP A 95 31.079 41.437 12.614 1.00 25.00 C ATOM 1487 O ASP A 95 32.217 41.235 13.029 1.00 25.00 O ATOM 1488 CB ASP A 95 30.490 42.495 14.809 1.00 25.00 C ATOM 1489 CG ASP A 95 31.178 43.824 14.490 1.00 25.00 C ATOM 1490 OD1 ASP A 95 31.851 44.402 15.371 1.00 25.00 O ATOM 1491 OD2 ASP A 95 31.047 44.289 13.331 1.00 25.00 O ATOM 0 H ASP A 95 29.685 39.772 13.969 1.00 25.00 H new ATOM 0 HA ASP A 95 29.273 42.539 13.062 1.00 25.00 H new ATOM 0 HB2 ASP A 95 29.680 42.667 15.517 1.00 25.00 H new ATOM 0 HB3 ASP A 95 31.201 41.826 15.294 1.00 25.00 H new ATOM 1496 N ILE A 96 30.765 41.318 11.333 1.00 25.00 N ATOM 1497 CA ILE A 96 31.751 40.922 10.320 1.00 25.00 C ATOM 1498 C ILE A 96 32.502 42.141 9.758 1.00 25.00 C ATOM 1499 O ILE A 96 32.862 42.192 8.581 1.00 25.00 O ATOM 1500 CB ILE A 96 31.077 40.099 9.177 1.00 25.00 C ATOM 1501 CG1 ILE A 96 29.915 40.895 8.538 1.00 25.00 C ATOM 1502 CG2 ILE A 96 30.560 38.745 9.740 1.00 25.00 C ATOM 1503 CD1 ILE A 96 29.398 40.300 7.217 1.00 25.00 C ATOM 0 H ILE A 96 29.831 41.490 10.961 1.00 25.00 H new ATOM 0 HA ILE A 96 32.487 40.282 10.807 1.00 25.00 H new ATOM 0 HB ILE A 96 31.819 39.905 8.402 1.00 25.00 H new ATOM 0 HG12 ILE A 96 29.090 40.946 9.248 1.00 25.00 H new ATOM 0 HG13 ILE A 96 30.245 41.918 8.359 1.00 25.00 H new ATOM 0 HG21 ILE A 96 30.090 38.174 8.939 1.00 25.00 H new ATOM 0 HG22 ILE A 96 31.396 38.178 10.148 1.00 25.00 H new ATOM 0 HG23 ILE A 96 29.830 38.933 10.528 1.00 25.00 H new ATOM 0 HD11 ILE A 96 28.585 40.916 6.834 1.00 25.00 H new ATOM 0 HD12 ILE A 96 30.208 40.274 6.488 1.00 25.00 H new ATOM 0 HD13 ILE A 96 29.035 39.287 7.392 1.00 25.00 H new ATOM 1515 N ARG A 97 32.765 43.121 10.615 1.00 25.00 N ATOM 1516 CA ARG A 97 33.479 44.344 10.222 1.00 25.00 C ATOM 1517 C ARG A 97 35.001 44.119 10.233 1.00 25.00 C ATOM 1518 O ARG A 97 35.782 44.899 10.781 1.00 25.00 O ATOM 1519 CB ARG A 97 33.082 45.463 11.191 1.00 25.00 C ATOM 1520 CG ARG A 97 33.392 46.881 10.744 1.00 25.00 C ATOM 1521 CD ARG A 97 33.098 47.825 11.891 1.00 25.00 C ATOM 1522 NE ARG A 97 33.383 49.228 11.547 1.00 25.00 N ATOM 1523 CZ ARG A 97 33.267 50.252 12.383 1.00 25.00 C ATOM 1524 NH1 ARG A 97 32.877 50.099 13.625 1.00 25.00 N ATOM 1525 NH2 ARG A 97 33.562 51.452 11.963 1.00 25.00 N ATOM 0 H ARG A 97 32.494 43.097 11.598 1.00 25.00 H new ATOM 0 HA ARG A 97 33.205 44.623 9.204 1.00 25.00 H new ATOM 0 HB2 ARG A 97 32.011 45.390 11.378 1.00 25.00 H new ATOM 0 HB3 ARG A 97 33.584 45.286 12.142 1.00 25.00 H new ATOM 0 HG2 ARG A 97 34.437 46.963 10.445 1.00 25.00 H new ATOM 0 HG3 ARG A 97 32.790 47.144 9.874 1.00 25.00 H new ATOM 0 HD2 ARG A 97 32.051 47.729 12.178 1.00 25.00 H new ATOM 0 HD3 ARG A 97 33.694 47.537 12.757 1.00 25.00 H new ATOM 0 HE ARG A 97 33.692 49.428 10.596 1.00 25.00 H new ATOM 0 HH11 ARG A 97 32.651 49.169 13.978 1.00 25.00 H new ATOM 0 HH12 ARG A 97 32.800 50.910 14.239 1.00 25.00 H new ATOM 0 HH21 ARG A 97 33.877 51.593 11.003 1.00 25.00 H new ATOM 0 HH22 ARG A 97 33.478 52.248 12.595 1.00 25.00 H new ATOM 1539 N GLN A 98 35.443 43.034 9.606 1.00 25.00 N ATOM 1540 CA GLN A 98 36.862 42.681 9.514 1.00 25.00 C ATOM 1541 C GLN A 98 37.149 41.865 8.257 1.00 25.00 C ATOM 1542 O GLN A 98 36.493 40.922 7.883 1.00 25.00 O ATOM 1543 CB GLN A 98 37.331 41.931 10.788 1.00 25.00 C ATOM 1544 CG GLN A 98 38.859 42.079 11.002 1.00 25.00 C ATOM 1545 CD GLN A 98 39.263 43.263 11.874 1.00 25.00 C ATOM 1546 OE1 GLN A 98 40.328 43.328 12.432 1.00 25.00 O ATOM 1547 NE2 GLN A 98 38.411 44.273 12.006 1.00 25.00 N ATOM 1548 OXT GLN A 98 38.161 42.288 7.574 1.00 25.00 O ATOM 0 H GLN A 98 34.825 42.368 9.143 1.00 25.00 H new ATOM 0 HA GLN A 98 37.432 43.607 9.442 1.00 25.00 H new ATOM 0 HB2 GLN A 98 36.801 42.321 11.657 1.00 25.00 H new ATOM 0 HB3 GLN A 98 37.074 40.875 10.705 1.00 25.00 H new ATOM 0 HG2 GLN A 98 39.240 41.164 11.455 1.00 25.00 H new ATOM 0 HG3 GLN A 98 39.341 42.179 10.030 1.00 25.00 H new ATOM 0 HE21 GLN A 98 37.503 44.239 11.542 1.00 25.00 H new ATOM 0 HE22 GLN A 98 38.664 45.083 12.572 1.00 25.00 H new TER 1558 GLN A 98