USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=13 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 -110:sc= 0 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -162:sc= 0.728 (180deg=0.548) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0.845 K(o=0.85,f=0) USER MOD Single : A 3 GLN : amide:sc=-0.00165 X(o=-0.0016,f=-0.0018) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=-0.032) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -130:sc= -0.2 USER MOD Single : A 16 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.87) USER MOD Single : A 20 ASN : amide:sc=-0.00662 X(o=-0.0066,f=0) USER MOD Single : A 27 MET CE :methyl -138:sc= 0 (180deg=-0.109) USER MOD Single : A 31 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.2!) 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= -0.212 K(o=-0.21,f=-5.3!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 64 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.084) USER MOD Single : A 65 GLN : amide:sc= 0.0616 X(o=0.062,f=-0.072) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 80 SER OG : rot 165:sc= 1.45 USER MOD Single : A 89 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 27.181 42.213 -5.078 1.00 25.00 N ATOM 2 CA SER A 1 26.078 42.776 -5.973 1.00 25.00 C ATOM 3 C SER A 1 24.759 42.013 -5.898 1.00 25.00 C ATOM 4 O SER A 1 24.603 40.871 -6.272 1.00 25.00 O ATOM 5 CB SER A 1 26.589 42.798 -7.431 1.00 25.00 C ATOM 6 OG SER A 1 27.514 43.738 -7.642 1.00 25.00 O ATOM 0 H1 SER A 1 27.921 42.932 -4.945 1.00 25.00 H new ATOM 0 H2 SER A 1 26.780 41.954 -4.154 1.00 25.00 H new ATOM 0 H3 SER A 1 27.594 41.369 -5.525 1.00 25.00 H new ATOM 0 HA SER A 1 25.857 43.780 -5.610 1.00 25.00 H new ATOM 0 HB2 SER A 1 27.006 41.822 -7.679 1.00 25.00 H new ATOM 0 HB3 SER A 1 25.748 42.966 -8.103 1.00 25.00 H new ATOM 0 HG SER A 1 27.804 43.708 -8.578 1.00 25.00 H new ATOM 14 N GLN A 2 23.735 42.735 -5.411 1.00 25.00 N ATOM 15 CA GLN A 2 22.367 42.223 -5.232 1.00 25.00 C ATOM 16 C GLN A 2 21.589 42.142 -6.565 1.00 25.00 C ATOM 17 O GLN A 2 20.417 42.486 -6.641 1.00 25.00 O ATOM 18 CB GLN A 2 21.632 43.132 -4.230 1.00 25.00 C ATOM 19 CG GLN A 2 20.517 42.439 -3.452 1.00 25.00 C ATOM 20 CD GLN A 2 19.835 43.378 -2.477 1.00 25.00 C ATOM 21 OE1 GLN A 2 19.191 44.340 -2.871 1.00 25.00 O ATOM 22 NE2 GLN A 2 19.985 43.118 -1.210 1.00 25.00 N ATOM 0 H GLN A 2 23.838 43.709 -5.126 1.00 25.00 H new ATOM 0 HA GLN A 2 22.426 41.204 -4.849 1.00 25.00 H new ATOM 0 HB2 GLN A 2 22.357 43.533 -3.522 1.00 25.00 H new ATOM 0 HB3 GLN A 2 21.210 43.980 -4.769 1.00 25.00 H new ATOM 0 HG2 GLN A 2 19.779 42.044 -4.150 1.00 25.00 H new ATOM 0 HG3 GLN A 2 20.929 41.589 -2.908 1.00 25.00 H new ATOM 0 HE21 GLN A 2 20.529 42.307 -0.917 1.00 25.00 H new ATOM 0 HE22 GLN A 2 19.558 43.726 -0.511 1.00 25.00 H new ATOM 31 N GLN A 3 22.257 41.688 -7.615 1.00 25.00 N ATOM 32 CA GLN A 3 21.645 41.585 -8.942 1.00 25.00 C ATOM 33 C GLN A 3 20.575 40.488 -8.985 1.00 25.00 C ATOM 34 O GLN A 3 19.648 40.570 -9.780 1.00 25.00 O ATOM 35 CB GLN A 3 22.732 41.323 -9.997 1.00 25.00 C ATOM 36 CG GLN A 3 23.457 39.982 -9.852 1.00 25.00 C ATOM 37 CD GLN A 3 24.664 39.883 -10.756 1.00 25.00 C ATOM 38 OE1 GLN A 3 24.596 40.186 -11.933 1.00 25.00 O ATOM 39 NE2 GLN A 3 25.777 39.478 -10.205 1.00 25.00 N ATOM 0 H GLN A 3 23.229 41.382 -7.578 1.00 25.00 H new ATOM 0 HA GLN A 3 21.150 42.531 -9.164 1.00 25.00 H new ATOM 0 HB2 GLN A 3 22.277 41.369 -10.986 1.00 25.00 H new ATOM 0 HB3 GLN A 3 23.468 42.125 -9.947 1.00 25.00 H new ATOM 0 HG2 GLN A 3 23.770 39.850 -8.816 1.00 25.00 H new ATOM 0 HG3 GLN A 3 22.766 39.171 -10.082 1.00 25.00 H new ATOM 0 HE21 GLN A 3 25.796 39.232 -9.215 1.00 25.00 H new ATOM 0 HE22 GLN A 3 26.627 39.407 -10.765 1.00 25.00 H new ATOM 48 N SER A 4 20.716 39.511 -8.084 1.00 25.00 N ATOM 49 CA SER A 4 19.802 38.360 -7.933 1.00 25.00 C ATOM 50 C SER A 4 19.803 37.390 -9.128 1.00 25.00 C ATOM 51 O SER A 4 19.876 37.790 -10.276 1.00 25.00 O ATOM 52 CB SER A 4 18.374 38.839 -7.641 1.00 25.00 C ATOM 53 OG SER A 4 18.381 39.784 -6.581 1.00 25.00 O ATOM 0 H SER A 4 21.488 39.493 -7.418 1.00 25.00 H new ATOM 0 HA SER A 4 20.186 37.792 -7.085 1.00 25.00 H new ATOM 0 HB2 SER A 4 17.943 39.288 -8.536 1.00 25.00 H new ATOM 0 HB3 SER A 4 17.745 37.989 -7.376 1.00 25.00 H new ATOM 0 HG SER A 4 17.465 40.084 -6.404 1.00 25.00 H new ATOM 59 N HIS A 5 19.749 36.094 -8.843 1.00 25.00 N ATOM 60 CA HIS A 5 19.778 35.084 -9.911 1.00 25.00 C ATOM 61 C HIS A 5 18.401 34.925 -10.560 1.00 25.00 C ATOM 62 O HIS A 5 18.296 34.771 -11.768 1.00 25.00 O ATOM 63 CB HIS A 5 20.250 33.736 -9.358 1.00 25.00 C ATOM 64 CG HIS A 5 21.661 33.754 -8.851 1.00 25.00 C ATOM 65 ND1 HIS A 5 22.254 32.716 -8.173 1.00 25.00 N ATOM 66 CD2 HIS A 5 22.627 34.713 -8.940 1.00 25.00 C ATOM 67 CE1 HIS A 5 23.500 33.071 -7.879 1.00 25.00 C ATOM 68 NE2 HIS A 5 23.781 34.280 -8.318 1.00 25.00 N ATOM 0 H HIS A 5 19.686 35.715 -7.898 1.00 25.00 H new ATOM 0 HA HIS A 5 20.479 35.425 -10.672 1.00 25.00 H new ATOM 0 HB2 HIS A 5 19.586 33.433 -8.548 1.00 25.00 H new ATOM 0 HB3 HIS A 5 20.164 32.982 -10.140 1.00 25.00 H new ATOM 0 HD2 HIS A 5 22.507 35.670 -9.426 1.00 25.00 H new ATOM 0 HE1 HIS A 5 24.198 32.444 -7.345 1.00 25.00 H new ATOM 0 HE2 HIS A 5 24.661 34.787 -8.220 1.00 25.00 H new ATOM 76 N SER A 6 17.357 34.974 -9.736 1.00 25.00 N ATOM 77 CA SER A 6 15.955 34.944 -10.195 1.00 25.00 C ATOM 78 C SER A 6 15.601 33.854 -11.223 1.00 25.00 C ATOM 79 O SER A 6 14.786 34.083 -12.112 1.00 25.00 O ATOM 80 CB SER A 6 15.611 36.311 -10.783 1.00 25.00 C ATOM 81 OG SER A 6 15.978 37.336 -9.874 1.00 25.00 O ATOM 0 H SER A 6 17.452 35.036 -8.722 1.00 25.00 H new ATOM 0 HA SER A 6 15.366 34.697 -9.312 1.00 25.00 H new ATOM 0 HB2 SER A 6 16.132 36.450 -11.730 1.00 25.00 H new ATOM 0 HB3 SER A 6 14.543 36.367 -10.995 1.00 25.00 H new ATOM 0 HG SER A 6 15.756 38.209 -10.259 1.00 25.00 H new ATOM 87 N SER A 7 16.206 32.678 -11.102 1.00 25.00 N ATOM 88 CA SER A 7 16.006 31.601 -12.083 1.00 25.00 C ATOM 89 C SER A 7 15.656 30.246 -11.451 1.00 25.00 C ATOM 90 O SER A 7 16.527 29.397 -11.262 1.00 25.00 O ATOM 91 CB SER A 7 17.273 31.461 -12.935 1.00 25.00 C ATOM 92 OG SER A 7 17.120 30.445 -13.913 1.00 25.00 O ATOM 0 H SER A 7 16.839 32.440 -10.339 1.00 25.00 H new ATOM 0 HA SER A 7 15.148 31.883 -12.694 1.00 25.00 H new ATOM 0 HB2 SER A 7 17.493 32.410 -13.423 1.00 25.00 H new ATOM 0 HB3 SER A 7 18.123 31.228 -12.293 1.00 25.00 H new ATOM 0 HG SER A 7 17.941 30.376 -14.444 1.00 25.00 H new ATOM 98 N PRO A 8 14.373 30.011 -11.125 1.00 25.00 N ATOM 99 CA PRO A 8 14.001 28.687 -10.599 1.00 25.00 C ATOM 100 C PRO A 8 13.921 27.604 -11.698 1.00 25.00 C ATOM 101 O PRO A 8 12.889 27.430 -12.339 1.00 25.00 O ATOM 102 CB PRO A 8 12.635 28.956 -9.962 1.00 25.00 C ATOM 103 CG PRO A 8 12.039 30.037 -10.813 1.00 25.00 C ATOM 104 CD PRO A 8 13.202 30.911 -11.226 1.00 25.00 C ATOM 0 HA PRO A 8 14.739 28.288 -9.903 1.00 25.00 H new ATOM 0 HB2 PRO A 8 12.013 28.061 -9.961 1.00 25.00 H new ATOM 0 HB3 PRO A 8 12.735 29.275 -8.925 1.00 25.00 H new ATOM 0 HG2 PRO A 8 11.534 29.618 -11.683 1.00 25.00 H new ATOM 0 HG3 PRO A 8 11.296 30.609 -10.258 1.00 25.00 H new ATOM 0 HD2 PRO A 8 13.076 31.292 -12.240 1.00 25.00 H new ATOM 0 HD3 PRO A 8 13.305 31.776 -10.571 1.00 25.00 H new ATOM 112 N GLY A 9 15.019 26.892 -11.932 1.00 25.00 N ATOM 113 CA GLY A 9 15.052 25.908 -13.011 1.00 25.00 C ATOM 114 C GLY A 9 16.071 24.789 -12.877 1.00 25.00 C ATOM 115 O GLY A 9 16.792 24.497 -13.825 1.00 25.00 O ATOM 0 H GLY A 9 15.885 26.974 -11.399 1.00 25.00 H new ATOM 0 HA2 GLY A 9 14.062 25.460 -13.094 1.00 25.00 H new ATOM 0 HA3 GLY A 9 15.244 26.434 -13.946 1.00 25.00 H new ATOM 119 N GLU A 10 16.123 24.144 -11.719 1.00 25.00 N ATOM 120 CA GLU A 10 17.058 23.025 -11.464 1.00 25.00 C ATOM 121 C GLU A 10 16.584 21.703 -12.112 1.00 25.00 C ATOM 122 O GLU A 10 16.760 20.623 -11.571 1.00 25.00 O ATOM 123 CB GLU A 10 17.209 22.827 -9.944 1.00 25.00 C ATOM 124 CG GLU A 10 18.527 22.142 -9.509 1.00 25.00 C ATOM 125 CD GLU A 10 18.411 21.423 -8.153 1.00 25.00 C ATOM 126 OE1 GLU A 10 19.338 20.661 -7.799 1.00 25.00 O ATOM 127 OE2 GLU A 10 17.402 21.634 -7.437 1.00 25.00 O ATOM 0 H GLU A 10 15.526 24.371 -10.924 1.00 25.00 H new ATOM 0 HA GLU A 10 18.016 23.284 -11.915 1.00 25.00 H new ATOM 0 HB2 GLU A 10 17.143 23.800 -9.456 1.00 25.00 H new ATOM 0 HB3 GLU A 10 16.370 22.232 -9.584 1.00 25.00 H new ATOM 0 HG2 GLU A 10 18.825 21.422 -10.271 1.00 25.00 H new ATOM 0 HG3 GLU A 10 19.317 22.890 -9.451 1.00 25.00 H new ATOM 134 N ILE A 11 15.925 21.802 -13.257 1.00 25.00 N ATOM 135 CA ILE A 11 15.338 20.667 -13.922 1.00 25.00 C ATOM 136 C ILE A 11 16.403 19.870 -14.653 1.00 25.00 C ATOM 137 O ILE A 11 16.296 18.671 -14.910 1.00 25.00 O ATOM 138 CB ILE A 11 14.244 21.229 -14.869 1.00 25.00 C ATOM 139 CG1 ILE A 11 13.079 21.816 -14.036 1.00 25.00 C ATOM 140 CG2 ILE A 11 13.773 20.190 -15.810 1.00 25.00 C ATOM 141 CD1 ILE A 11 12.086 22.680 -14.841 1.00 25.00 C ATOM 0 H ILE A 11 15.786 22.685 -13.749 1.00 25.00 H new ATOM 0 HA ILE A 11 14.886 19.969 -13.218 1.00 25.00 H new ATOM 0 HB ILE A 11 14.673 22.032 -15.469 1.00 25.00 H new ATOM 0 HG12 ILE A 11 12.533 20.995 -13.571 1.00 25.00 H new ATOM 0 HG13 ILE A 11 13.495 22.420 -13.229 1.00 25.00 H new ATOM 0 HG21 ILE A 11 13.007 20.610 -16.462 1.00 25.00 H new ATOM 0 HG22 ILE A 11 14.610 19.839 -16.413 1.00 25.00 H new ATOM 0 HG23 ILE A 11 13.354 19.354 -15.249 1.00 25.00 H new ATOM 0 HD11 ILE A 11 11.304 23.049 -14.178 1.00 25.00 H new ATOM 0 HD12 ILE A 11 12.614 23.524 -15.284 1.00 25.00 H new ATOM 0 HD13 ILE A 11 11.637 22.078 -15.631 1.00 25.00 H new ATOM 153 N THR A 12 17.447 20.600 -14.943 1.00 25.00 N ATOM 154 CA THR A 12 18.624 20.087 -15.655 1.00 25.00 C ATOM 155 C THR A 12 19.791 21.058 -15.525 1.00 25.00 C ATOM 156 O THR A 12 20.931 20.661 -15.305 1.00 25.00 O ATOM 157 CB THR A 12 18.316 19.824 -17.171 1.00 25.00 C ATOM 158 OG1 THR A 12 19.535 19.601 -17.882 1.00 25.00 O ATOM 159 CG2 THR A 12 17.572 20.991 -17.848 1.00 25.00 C ATOM 0 H THR A 12 17.521 21.586 -14.694 1.00 25.00 H new ATOM 0 HA THR A 12 18.893 19.136 -15.195 1.00 25.00 H new ATOM 0 HB THR A 12 17.670 18.947 -17.204 1.00 25.00 H new ATOM 0 HG1 THR A 12 19.337 19.436 -18.827 1.00 25.00 H new ATOM 0 HG21 THR A 12 17.389 20.747 -18.895 1.00 25.00 H new ATOM 0 HG22 THR A 12 16.621 21.158 -17.342 1.00 25.00 H new ATOM 0 HG23 THR A 12 18.179 21.894 -17.787 1.00 25.00 H new ATOM 167 N SER A 13 19.484 22.341 -15.624 1.00 25.00 N ATOM 168 CA SER A 13 20.475 23.395 -15.465 1.00 25.00 C ATOM 169 C SER A 13 20.821 23.551 -13.988 1.00 25.00 C ATOM 170 O SER A 13 20.067 23.102 -13.131 1.00 25.00 O ATOM 171 CB SER A 13 19.898 24.708 -15.990 1.00 25.00 C ATOM 172 OG SER A 13 19.420 24.541 -17.315 1.00 25.00 O ATOM 0 H SER A 13 18.542 22.682 -15.817 1.00 25.00 H new ATOM 0 HA SER A 13 21.375 23.138 -16.023 1.00 25.00 H new ATOM 0 HB2 SER A 13 19.087 25.041 -15.343 1.00 25.00 H new ATOM 0 HB3 SER A 13 20.663 25.484 -15.967 1.00 25.00 H new ATOM 0 HG SER A 13 19.051 25.389 -17.639 1.00 25.00 H new ATOM 178 N SER A 14 21.912 24.246 -13.692 1.00 25.00 N ATOM 179 CA SER A 14 22.299 24.533 -12.302 1.00 25.00 C ATOM 180 C SER A 14 22.221 26.044 -11.992 1.00 25.00 C ATOM 181 O SER A 14 23.242 26.703 -11.786 1.00 25.00 O ATOM 182 CB SER A 14 23.714 24.010 -12.042 1.00 25.00 C ATOM 183 OG SER A 14 24.053 24.118 -10.672 1.00 25.00 O ATOM 0 H SER A 14 22.550 24.625 -14.392 1.00 25.00 H new ATOM 0 HA SER A 14 21.596 24.025 -11.641 1.00 25.00 H new ATOM 0 HB2 SER A 14 23.784 22.969 -12.356 1.00 25.00 H new ATOM 0 HB3 SER A 14 24.429 24.573 -12.642 1.00 25.00 H new ATOM 0 HG SER A 14 24.926 24.554 -10.584 1.00 25.00 H new ATOM 189 N PRO A 15 21.001 26.619 -11.963 1.00 25.00 N ATOM 190 CA PRO A 15 20.912 28.069 -11.734 1.00 25.00 C ATOM 191 C PRO A 15 21.125 28.473 -10.288 1.00 25.00 C ATOM 192 O PRO A 15 21.282 29.644 -9.960 1.00 25.00 O ATOM 193 CB PRO A 15 19.489 28.376 -12.149 1.00 25.00 C ATOM 194 CG PRO A 15 18.741 27.161 -11.792 1.00 25.00 C ATOM 195 CD PRO A 15 19.657 26.037 -12.149 1.00 25.00 C ATOM 0 HA PRO A 15 21.685 28.609 -12.281 1.00 25.00 H new ATOM 0 HB2 PRO A 15 19.101 29.251 -11.627 1.00 25.00 H new ATOM 0 HB3 PRO A 15 19.422 28.586 -13.216 1.00 25.00 H new ATOM 0 HG2 PRO A 15 18.491 27.147 -10.731 1.00 25.00 H new ATOM 0 HG3 PRO A 15 17.802 27.097 -12.342 1.00 25.00 H new ATOM 0 HD2 PRO A 15 19.501 25.172 -11.505 1.00 25.00 H new ATOM 0 HD3 PRO A 15 19.502 25.703 -13.175 1.00 25.00 H new ATOM 203 N GLN A 16 21.142 27.471 -9.429 1.00 25.00 N ATOM 204 CA GLN A 16 21.397 27.662 -8.005 1.00 25.00 C ATOM 205 C GLN A 16 22.846 28.079 -7.763 1.00 25.00 C ATOM 206 O GLN A 16 23.195 28.496 -6.673 1.00 25.00 O ATOM 207 CB GLN A 16 21.112 26.368 -7.245 1.00 25.00 C ATOM 208 CG GLN A 16 19.639 25.979 -7.228 1.00 25.00 C ATOM 209 CD GLN A 16 19.399 24.687 -6.477 1.00 25.00 C ATOM 210 OE1 GLN A 16 20.315 24.090 -5.941 1.00 25.00 O ATOM 211 NE2 GLN A 16 18.174 24.251 -6.454 1.00 25.00 N ATOM 0 H GLN A 16 20.980 26.500 -9.694 1.00 25.00 H new ATOM 0 HA GLN A 16 20.738 28.453 -7.646 1.00 25.00 H new ATOM 0 HB2 GLN A 16 21.687 25.559 -7.695 1.00 25.00 H new ATOM 0 HB3 GLN A 16 21.462 26.475 -6.218 1.00 25.00 H new ATOM 0 HG2 GLN A 16 19.059 26.779 -6.767 1.00 25.00 H new ATOM 0 HG3 GLN A 16 19.280 25.874 -8.252 1.00 25.00 H new ATOM 0 HE21 GLN A 16 17.435 24.781 -6.916 1.00 25.00 H new ATOM 0 HE22 GLN A 16 17.952 23.379 -5.974 1.00 25.00 H new ATOM 220 N GLY A 17 23.684 27.979 -8.786 1.00 25.00 N ATOM 221 CA GLY A 17 25.071 28.385 -8.650 1.00 25.00 C ATOM 222 C GLY A 17 25.929 27.296 -8.045 1.00 25.00 C ATOM 223 O GLY A 17 26.976 27.577 -7.481 1.00 25.00 O ATOM 0 H GLY A 17 23.429 27.624 -9.708 1.00 25.00 H new ATOM 0 HA2 GLY A 17 25.466 28.655 -9.629 1.00 25.00 H new ATOM 0 HA3 GLY A 17 25.127 29.278 -8.027 1.00 25.00 H new ATOM 227 N LEU A 18 25.508 26.046 -8.193 1.00 25.00 N ATOM 228 CA LEU A 18 26.288 24.915 -7.674 1.00 25.00 C ATOM 229 C LEU A 18 27.557 24.770 -8.509 1.00 25.00 C ATOM 230 O LEU A 18 28.581 24.287 -8.044 1.00 25.00 O ATOM 231 CB LEU A 18 25.484 23.612 -7.733 1.00 25.00 C ATOM 232 CG LEU A 18 24.107 23.626 -7.055 1.00 25.00 C ATOM 233 CD1 LEU A 18 23.385 22.312 -7.333 1.00 25.00 C ATOM 234 CD2 LEU A 18 24.211 23.853 -5.544 1.00 25.00 C ATOM 0 H LEU A 18 24.641 25.785 -8.662 1.00 25.00 H new ATOM 0 HA LEU A 18 26.537 25.110 -6.631 1.00 25.00 H new ATOM 0 HB2 LEU A 18 25.346 23.343 -8.780 1.00 25.00 H new ATOM 0 HB3 LEU A 18 26.081 22.822 -7.277 1.00 25.00 H new ATOM 0 HG LEU A 18 23.541 24.458 -7.473 1.00 25.00 H new ATOM 0 HD11 LEU A 18 22.408 22.325 -6.850 1.00 25.00 H new ATOM 0 HD12 LEU A 18 23.257 22.187 -8.408 1.00 25.00 H new ATOM 0 HD13 LEU A 18 23.973 21.483 -6.939 1.00 25.00 H new ATOM 0 HD21 LEU A 18 23.213 23.855 -5.107 1.00 25.00 H new ATOM 0 HD22 LEU A 18 24.802 23.054 -5.096 1.00 25.00 H new ATOM 0 HD23 LEU A 18 24.693 24.812 -5.352 1.00 25.00 H new ATOM 246 N ASP A 19 27.463 25.232 -9.746 1.00 25.00 N ATOM 247 CA ASP A 19 28.586 25.231 -10.686 1.00 25.00 C ATOM 248 C ASP A 19 29.391 26.530 -10.552 1.00 25.00 C ATOM 249 O ASP A 19 30.487 26.672 -11.079 1.00 25.00 O ATOM 250 CB ASP A 19 28.023 25.128 -12.107 1.00 25.00 C ATOM 251 CG ASP A 19 29.078 24.745 -13.130 1.00 25.00 C ATOM 252 OD1 ASP A 19 29.843 23.793 -12.871 1.00 25.00 O ATOM 253 OD2 ASP A 19 29.087 25.348 -14.224 1.00 25.00 O ATOM 0 H ASP A 19 26.604 25.621 -10.133 1.00 25.00 H new ATOM 0 HA ASP A 19 29.244 24.389 -10.472 1.00 25.00 H new ATOM 0 HB2 ASP A 19 27.222 24.389 -12.123 1.00 25.00 H new ATOM 0 HB3 ASP A 19 27.580 26.084 -12.388 1.00 25.00 H new ATOM 258 N ASN A 20 28.822 27.496 -9.841 1.00 25.00 N ATOM 259 CA ASN A 20 29.423 28.811 -9.686 1.00 25.00 C ATOM 260 C ASN A 20 29.459 29.291 -8.233 1.00 25.00 C ATOM 261 O ASN A 20 28.717 30.212 -7.855 1.00 25.00 O ATOM 262 CB ASN A 20 28.619 29.827 -10.495 1.00 25.00 C ATOM 263 CG ASN A 20 28.818 29.700 -11.981 1.00 25.00 C ATOM 264 OD1 ASN A 20 27.866 29.531 -12.717 1.00 25.00 O ATOM 265 ND2 ASN A 20 30.030 29.866 -12.431 1.00 25.00 N ATOM 0 H ASN A 20 27.931 27.388 -9.356 1.00 25.00 H new ATOM 0 HA ASN A 20 30.451 28.727 -10.037 1.00 25.00 H new ATOM 0 HB2 ASN A 20 27.560 29.706 -10.266 1.00 25.00 H new ATOM 0 HB3 ASN A 20 28.900 30.833 -10.183 1.00 25.00 H new ATOM 0 HD21 ASN A 20 30.207 29.857 -13.436 1.00 25.00 H new ATOM 0 HD22 ASN A 20 30.802 30.005 -11.779 1.00 25.00 H new ATOM 272 N PRO A 21 30.384 28.754 -7.421 1.00 25.00 N ATOM 273 CA PRO A 21 30.506 29.237 -6.039 1.00 25.00 C ATOM 274 C PRO A 21 30.824 30.721 -5.951 1.00 25.00 C ATOM 275 O PRO A 21 30.381 31.403 -5.038 1.00 25.00 O ATOM 276 CB PRO A 21 31.679 28.414 -5.487 1.00 25.00 C ATOM 277 CG PRO A 21 32.414 27.964 -6.694 1.00 25.00 C ATOM 278 CD PRO A 21 31.379 27.709 -7.714 1.00 25.00 C ATOM 0 HA PRO A 21 29.572 29.120 -5.490 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.314 29.015 -4.836 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.328 27.567 -4.897 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.118 28.725 -7.031 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.992 27.063 -6.488 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.775 27.797 -8.726 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.956 26.708 -7.623 1.00 25.00 H new ATOM 286 N ALA A 22 31.583 31.229 -6.911 1.00 25.00 N ATOM 287 CA ALA A 22 31.963 32.633 -6.912 1.00 25.00 C ATOM 288 C ALA A 22 30.739 33.548 -7.015 1.00 25.00 C ATOM 289 O ALA A 22 30.681 34.578 -6.347 1.00 25.00 O ATOM 290 CB ALA A 22 32.935 32.907 -8.062 1.00 25.00 C ATOM 0 H ALA A 22 31.947 30.691 -7.697 1.00 25.00 H new ATOM 0 HA ALA A 22 32.456 32.852 -5.965 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.216 33.960 -8.058 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.827 32.293 -7.939 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.455 32.663 -9.010 1.00 25.00 H new ATOM 296 N LEU A 23 29.779 33.171 -7.849 1.00 25.00 N ATOM 297 CA LEU A 23 28.581 33.984 -8.050 1.00 25.00 C ATOM 298 C LEU A 23 27.615 33.800 -6.891 1.00 25.00 C ATOM 299 O LEU A 23 27.009 34.754 -6.416 1.00 25.00 O ATOM 300 CB LEU A 23 27.865 33.602 -9.356 1.00 25.00 C ATOM 301 CG LEU A 23 28.677 33.644 -10.665 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.760 33.266 -11.829 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.313 34.995 -10.947 1.00 25.00 C ATOM 0 H LEU A 23 29.803 32.311 -8.397 1.00 25.00 H new ATOM 0 HA LEU A 23 28.898 35.025 -8.107 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.473 32.592 -9.239 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.008 34.265 -9.473 1.00 25.00 H new ATOM 0 HG LEU A 23 29.496 32.933 -10.553 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.325 33.293 -12.761 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.367 32.262 -11.671 1.00 25.00 H new ATOM 0 HD13 LEU A 23 26.933 33.974 -11.886 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.868 34.948 -11.884 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.535 35.754 -11.024 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.993 35.253 -10.135 1.00 25.00 H new ATOM 315 N LEU A 24 27.477 32.564 -6.427 1.00 25.00 N ATOM 316 CA LEU A 24 26.544 32.276 -5.347 1.00 25.00 C ATOM 317 C LEU A 24 26.969 32.956 -4.056 1.00 25.00 C ATOM 318 O LEU A 24 26.141 33.524 -3.360 1.00 25.00 O ATOM 319 CB LEU A 24 26.430 30.769 -5.127 1.00 25.00 C ATOM 320 CG LEU A 24 25.406 30.366 -4.050 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.006 30.922 -4.328 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.347 28.863 -3.935 1.00 25.00 C ATOM 0 H LEU A 24 27.992 31.756 -6.776 1.00 25.00 H new ATOM 0 HA LEU A 24 25.570 32.669 -5.637 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.156 30.295 -6.069 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.408 30.379 -4.847 1.00 25.00 H new ATOM 0 HG LEU A 24 25.743 30.801 -3.109 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.326 30.607 -3.537 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.046 32.011 -4.359 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.648 30.545 -5.286 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.621 28.585 -3.171 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.048 28.436 -4.892 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.329 28.480 -3.658 1.00 25.00 H new ATOM 334 N ARG A 25 28.266 32.950 -3.769 1.00 25.00 N ATOM 335 CA ARG A 25 28.792 33.642 -2.594 1.00 25.00 C ATOM 336 C ARG A 25 28.387 35.103 -2.661 1.00 25.00 C ATOM 337 O ARG A 25 27.956 35.677 -1.674 1.00 25.00 O ATOM 338 CB ARG A 25 30.320 33.516 -2.582 1.00 25.00 C ATOM 339 CG ARG A 25 31.059 34.472 -1.629 1.00 25.00 C ATOM 340 CD ARG A 25 32.456 34.798 -2.163 1.00 25.00 C ATOM 341 NE ARG A 25 32.406 35.365 -3.524 1.00 25.00 N ATOM 342 CZ ARG A 25 32.136 36.640 -3.836 1.00 25.00 C ATOM 343 NH1 ARG A 25 31.909 37.554 -2.922 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.054 36.985 -5.081 1.00 25.00 N ATOM 0 H ARG A 25 28.972 32.475 -4.331 1.00 25.00 H new ATOM 0 HA ARG A 25 28.391 33.200 -1.682 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.580 32.492 -2.314 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.688 33.684 -3.594 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.486 35.392 -1.512 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.139 34.018 -0.641 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.945 35.505 -1.493 1.00 25.00 H new ATOM 0 HD3 ARG A 25 33.063 33.893 -2.169 1.00 25.00 H new ATOM 0 HE ARG A 25 32.594 34.728 -4.298 1.00 25.00 H new ATOM 0 HH11 ARG A 25 31.935 37.304 -1.933 1.00 25.00 H new ATOM 0 HH12 ARG A 25 31.707 38.514 -3.200 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.194 36.289 -5.813 1.00 25.00 H new ATOM 0 HH22 ARG A 25 31.849 37.953 -5.330 1.00 25.00 H new ATOM 358 N ASP A 26 28.539 35.704 -3.829 1.00 25.00 N ATOM 359 CA ASP A 26 28.246 37.122 -4.004 1.00 25.00 C ATOM 360 C ASP A 26 26.771 37.430 -3.739 1.00 25.00 C ATOM 361 O ASP A 26 26.437 38.380 -3.035 1.00 25.00 O ATOM 362 CB ASP A 26 28.618 37.535 -5.426 1.00 25.00 C ATOM 363 CG ASP A 26 29.117 38.959 -5.501 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.483 39.788 -6.181 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.198 39.233 -4.923 1.00 25.00 O ATOM 0 H ASP A 26 28.864 35.233 -4.674 1.00 25.00 H new ATOM 0 HA ASP A 26 28.834 37.688 -3.282 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.387 36.863 -5.807 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.748 37.423 -6.073 1.00 25.00 H new ATOM 370 N MET A 27 25.897 36.580 -4.261 1.00 25.00 N ATOM 371 CA MET A 27 24.454 36.725 -4.063 1.00 25.00 C ATOM 372 C MET A 27 24.087 36.579 -2.600 1.00 25.00 C ATOM 373 O MET A 27 23.365 37.394 -2.049 1.00 25.00 O ATOM 374 CB MET A 27 23.727 35.642 -4.860 1.00 25.00 C ATOM 375 CG MET A 27 22.220 35.837 -5.003 1.00 25.00 C ATOM 376 SD MET A 27 21.223 35.411 -3.545 1.00 25.00 S ATOM 377 CE MET A 27 21.388 33.599 -3.480 1.00 25.00 C ATOM 0 H MET A 27 26.161 35.776 -4.830 1.00 25.00 H new ATOM 0 HA MET A 27 24.159 37.718 -4.402 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.166 35.591 -5.856 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.908 34.679 -4.382 1.00 25.00 H new ATOM 0 HG2 MET A 27 22.031 36.880 -5.257 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.874 35.236 -5.844 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.421 33.154 -3.245 1.00 25.00 H new ATOM 0 HE2 MET A 27 21.732 33.230 -4.446 1.00 25.00 H new ATOM 0 HE3 MET A 27 22.109 33.327 -2.710 1.00 25.00 H new ATOM 387 N LEU A 28 24.586 35.521 -1.984 1.00 25.00 N ATOM 388 CA LEU A 28 24.283 35.207 -0.591 1.00 25.00 C ATOM 389 C LEU A 28 24.746 36.298 0.360 1.00 25.00 C ATOM 390 O LEU A 28 24.034 36.662 1.285 1.00 25.00 O ATOM 391 CB LEU A 28 24.957 33.912 -0.198 1.00 25.00 C ATOM 392 CG LEU A 28 24.342 32.630 -0.754 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.286 31.524 -0.434 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.982 32.353 -0.153 1.00 25.00 C ATOM 0 H LEU A 28 25.213 34.853 -2.432 1.00 25.00 H new ATOM 0 HA LEU A 28 23.199 35.120 -0.514 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.998 33.958 -0.518 1.00 25.00 H new ATOM 0 HB3 LEU A 28 24.960 33.845 0.890 1.00 25.00 H new ATOM 0 HG LEU A 28 24.190 32.725 -1.829 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.887 30.584 -0.814 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.251 31.723 -0.900 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.412 31.455 0.646 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.579 31.432 -0.575 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.077 32.246 0.928 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.309 33.181 -0.378 1.00 25.00 H new ATOM 406 N LEU A 29 25.933 36.838 0.117 1.00 25.00 N ATOM 407 CA LEU A 29 26.462 37.926 0.949 1.00 25.00 C ATOM 408 C LEU A 29 25.566 39.150 0.827 1.00 25.00 C ATOM 409 O LEU A 29 25.386 39.905 1.778 1.00 25.00 O ATOM 410 CB LEU A 29 27.884 38.305 0.517 1.00 25.00 C ATOM 411 CG LEU A 29 29.009 37.347 0.937 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.283 37.699 0.175 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.271 37.400 2.443 1.00 25.00 C ATOM 0 H LEU A 29 26.549 36.547 -0.642 1.00 25.00 H new ATOM 0 HA LEU A 29 26.486 37.580 1.983 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.898 38.392 -0.569 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.110 39.293 0.919 1.00 25.00 H new ATOM 0 HG LEU A 29 28.696 36.331 0.695 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.083 37.021 0.471 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.104 37.604 -0.896 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.573 38.724 0.405 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.074 36.708 2.697 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.561 38.412 2.726 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.365 37.118 2.980 1.00 25.00 H new ATOM 425 N ALA A 30 24.992 39.333 -0.351 1.00 25.00 N ATOM 426 CA ALA A 30 24.101 40.450 -0.608 1.00 25.00 C ATOM 427 C ALA A 30 22.648 40.148 -0.203 1.00 25.00 C ATOM 428 O ALA A 30 21.787 41.022 -0.323 1.00 25.00 O ATOM 429 CB ALA A 30 24.170 40.819 -2.095 1.00 25.00 C ATOM 0 H ALA A 30 25.130 38.715 -1.151 1.00 25.00 H new ATOM 0 HA ALA A 30 24.432 41.289 0.004 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.502 41.658 -2.293 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.191 41.099 -2.353 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.865 39.963 -2.697 1.00 25.00 H new ATOM 435 N ASN A 31 22.352 38.928 0.240 1.00 25.00 N ATOM 436 CA ASN A 31 20.972 38.551 0.555 1.00 25.00 C ATOM 437 C ASN A 31 20.797 38.064 1.999 1.00 25.00 C ATOM 438 O ASN A 31 21.054 36.904 2.313 1.00 25.00 O ATOM 439 CB ASN A 31 20.516 37.458 -0.406 1.00 25.00 C ATOM 440 CG ASN A 31 19.022 37.303 -0.425 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.353 37.415 0.603 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.483 37.062 -1.585 1.00 25.00 N ATOM 0 H ASN A 31 23.039 38.189 0.388 1.00 25.00 H new ATOM 0 HA ASN A 31 20.362 39.447 0.444 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.868 37.691 -1.411 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.974 36.511 -0.120 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.471 36.959 -1.666 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.072 36.976 -2.413 1.00 25.00 H new ATOM 449 N PRO A 32 20.306 38.941 2.895 1.00 25.00 N ATOM 450 CA PRO A 32 20.198 38.513 4.295 1.00 25.00 C ATOM 451 C PRO A 32 19.182 37.399 4.573 1.00 25.00 C ATOM 452 O PRO A 32 19.322 36.673 5.545 1.00 25.00 O ATOM 453 CB PRO A 32 19.810 39.807 5.016 1.00 25.00 C ATOM 454 CG PRO A 32 19.099 40.602 3.978 1.00 25.00 C ATOM 455 CD PRO A 32 19.873 40.341 2.727 1.00 25.00 C ATOM 0 HA PRO A 32 21.131 38.059 4.629 1.00 25.00 H new ATOM 0 HB2 PRO A 32 19.168 39.608 5.874 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.688 40.334 5.390 1.00 25.00 H new ATOM 0 HG2 PRO A 32 18.060 40.288 3.877 1.00 25.00 H new ATOM 0 HG3 PRO A 32 19.088 41.663 4.226 1.00 25.00 H new ATOM 0 HD2 PRO A 32 19.258 40.470 1.837 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.722 41.018 2.628 1.00 25.00 H new ATOM 463 N HIS A 33 18.170 37.245 3.734 1.00 25.00 N ATOM 464 CA HIS A 33 17.185 36.179 3.931 1.00 25.00 C ATOM 465 C HIS A 33 17.757 34.827 3.508 1.00 25.00 C ATOM 466 O HIS A 33 17.525 33.800 4.139 1.00 25.00 O ATOM 467 CB HIS A 33 15.933 36.471 3.106 1.00 25.00 C ATOM 468 CG HIS A 33 14.860 35.436 3.260 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.984 35.383 4.315 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.528 34.376 2.470 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.179 34.341 4.134 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.461 33.695 3.022 1.00 25.00 N ATOM 0 H HIS A 33 18.005 37.834 2.918 1.00 25.00 H new ATOM 0 HA HIS A 33 16.932 36.141 4.991 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.534 37.443 3.398 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.209 36.543 2.054 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.025 34.109 1.549 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.390 34.059 4.816 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.992 32.869 2.649 1.00 25.00 H new ATOM 480 N GLU A 34 18.500 34.849 2.418 1.00 25.00 N ATOM 481 CA GLU A 34 19.035 33.631 1.811 1.00 25.00 C ATOM 482 C GLU A 34 20.200 33.142 2.649 1.00 25.00 C ATOM 483 O GLU A 34 20.401 31.954 2.831 1.00 25.00 O ATOM 484 CB GLU A 34 19.491 33.954 0.392 1.00 25.00 C ATOM 485 CG GLU A 34 18.448 33.693 -0.688 1.00 25.00 C ATOM 486 CD GLU A 34 18.321 32.219 -1.044 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.352 31.581 -1.339 1.00 25.00 O ATOM 488 OE2 GLU A 34 17.182 31.717 -1.084 1.00 25.00 O ATOM 0 H GLU A 34 18.753 35.705 1.925 1.00 25.00 H new ATOM 0 HA GLU A 34 18.276 32.850 1.771 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.784 35.003 0.349 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.381 33.365 0.168 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.481 34.065 -0.349 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.710 34.257 -1.583 1.00 25.00 H new ATOM 495 N LEU A 35 20.933 34.071 3.229 1.00 25.00 N ATOM 496 CA LEU A 35 22.009 33.713 4.134 1.00 25.00 C ATOM 497 C LEU A 35 21.416 33.176 5.447 1.00 25.00 C ATOM 498 O LEU A 35 22.025 32.345 6.119 1.00 25.00 O ATOM 499 CB LEU A 35 22.947 34.903 4.310 1.00 25.00 C ATOM 500 CG LEU A 35 22.790 35.932 5.434 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.067 35.423 6.842 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.768 37.028 5.085 1.00 25.00 C ATOM 0 H LEU A 35 20.805 35.074 3.092 1.00 25.00 H new ATOM 0 HA LEU A 35 22.618 32.908 3.723 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.952 34.493 4.405 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.917 35.461 3.374 1.00 25.00 H new ATOM 0 HG LEU A 35 21.747 36.245 5.479 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.926 36.234 7.556 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.381 34.609 7.076 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.093 35.061 6.903 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.722 37.811 5.842 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.777 36.617 5.049 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.512 37.448 4.112 1.00 25.00 H new ATOM 514 N SER A 36 20.224 33.642 5.808 1.00 25.00 N ATOM 515 CA SER A 36 19.576 33.214 7.052 1.00 25.00 C ATOM 516 C SER A 36 19.087 31.778 6.952 1.00 25.00 C ATOM 517 O SER A 36 19.301 30.989 7.854 1.00 25.00 O ATOM 518 CB SER A 36 18.405 34.130 7.416 1.00 25.00 C ATOM 519 OG SER A 36 17.959 33.880 8.742 1.00 25.00 O ATOM 0 H SER A 36 19.685 34.314 5.261 1.00 25.00 H new ATOM 0 HA SER A 36 20.327 33.277 7.840 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.710 35.172 7.321 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.584 33.973 6.716 1.00 25.00 H new ATOM 0 HG SER A 36 17.212 34.477 8.954 1.00 25.00 H new ATOM 525 N LEU A 37 18.478 31.403 5.839 1.00 25.00 N ATOM 526 CA LEU A 37 18.040 30.014 5.678 1.00 25.00 C ATOM 527 C LEU A 37 19.226 29.113 5.606 1.00 25.00 C ATOM 528 O LEU A 37 19.173 27.951 5.953 1.00 25.00 O ATOM 529 CB LEU A 37 17.160 29.841 4.460 1.00 25.00 C ATOM 530 CG LEU A 37 17.642 30.031 3.018 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.264 28.770 2.455 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.450 30.440 2.159 1.00 25.00 C ATOM 0 H LEU A 37 18.277 32.017 5.050 1.00 25.00 H new ATOM 0 HA LEU A 37 17.441 29.746 6.548 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.760 28.829 4.516 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.320 30.524 4.592 1.00 25.00 H new ATOM 0 HG LEU A 37 18.411 30.803 3.011 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.591 28.951 1.431 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.121 28.484 3.064 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.528 27.966 2.464 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.775 30.580 1.128 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.689 29.660 2.197 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.032 31.373 2.537 1.00 25.00 H new ATOM 544 N LEU A 38 20.308 29.657 5.103 1.00 25.00 N ATOM 545 CA LEU A 38 21.513 28.898 4.946 1.00 25.00 C ATOM 546 C LEU A 38 22.163 28.569 6.284 1.00 25.00 C ATOM 547 O LEU A 38 22.505 27.426 6.530 1.00 25.00 O ATOM 548 CB LEU A 38 22.422 29.692 4.048 1.00 25.00 C ATOM 549 CG LEU A 38 23.680 28.961 3.581 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.325 27.792 2.686 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.597 29.921 2.854 1.00 25.00 C ATOM 0 H LEU A 38 20.373 30.627 4.796 1.00 25.00 H new ATOM 0 HA LEU A 38 21.295 27.929 4.496 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.856 30.004 3.170 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.722 30.599 4.573 1.00 25.00 H new ATOM 0 HG LEU A 38 24.197 28.571 4.458 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.237 27.288 2.367 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.696 27.091 3.235 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.786 28.154 1.811 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.491 29.391 2.525 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.079 30.333 1.988 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.882 30.731 3.525 1.00 25.00 H new ATOM 563 N LYS A 39 22.269 29.542 7.178 1.00 25.00 N ATOM 564 CA LYS A 39 22.784 29.267 8.536 1.00 25.00 C ATOM 565 C LYS A 39 21.819 28.373 9.320 1.00 25.00 C ATOM 566 O LYS A 39 22.251 27.626 10.197 1.00 25.00 O ATOM 567 CB LYS A 39 23.122 30.553 9.324 1.00 25.00 C ATOM 568 CG LYS A 39 21.942 31.518 9.480 1.00 25.00 C ATOM 569 CD LYS A 39 21.858 32.269 10.806 1.00 25.00 C ATOM 570 CE LYS A 39 22.766 33.491 10.875 1.00 25.00 C ATOM 571 NZ LYS A 39 22.392 34.318 12.096 1.00 25.00 N ATOM 0 H LYS A 39 22.014 30.514 7.005 1.00 25.00 H new ATOM 0 HA LYS A 39 23.724 28.730 8.409 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.484 30.275 10.314 1.00 25.00 H new ATOM 0 HB3 LYS A 39 23.938 31.072 8.820 1.00 25.00 H new ATOM 0 HG2 LYS A 39 21.989 32.250 8.674 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.018 30.955 9.346 1.00 25.00 H new ATOM 0 HD2 LYS A 39 20.827 32.583 10.971 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.117 31.588 11.617 1.00 25.00 H new ATOM 0 HE2 LYS A 39 23.809 33.182 10.935 1.00 25.00 H new ATOM 0 HE3 LYS A 39 22.662 34.089 9.969 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 23.007 35.155 12.150 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 21.400 34.622 12.019 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 22.512 33.743 12.955 1.00 25.00 H new ATOM 585 N GLU A 40 20.539 28.409 8.978 1.00 25.00 N ATOM 586 CA GLU A 40 19.570 27.512 9.601 1.00 25.00 C ATOM 587 C GLU A 40 19.723 26.082 9.095 1.00 25.00 C ATOM 588 O GLU A 40 19.793 25.136 9.874 1.00 25.00 O ATOM 589 CB GLU A 40 18.140 27.934 9.269 1.00 25.00 C ATOM 590 CG GLU A 40 17.577 29.052 10.101 1.00 25.00 C ATOM 591 CD GLU A 40 16.107 29.269 9.781 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.758 29.344 8.575 1.00 25.00 O ATOM 593 OE2 GLU A 40 15.288 29.270 10.723 1.00 25.00 O ATOM 0 H GLU A 40 20.148 29.042 8.280 1.00 25.00 H new ATOM 0 HA GLU A 40 19.759 27.564 10.673 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.104 28.232 8.221 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.491 27.065 9.376 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.694 28.819 11.159 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.135 29.969 9.913 1.00 25.00 H new ATOM 600 N ARG A 41 19.673 25.915 7.780 1.00 25.00 N ATOM 601 CA ARG A 41 19.573 24.571 7.187 1.00 25.00 C ATOM 602 C ARG A 41 20.881 23.906 6.798 1.00 25.00 C ATOM 603 O ARG A 41 20.950 22.692 6.694 1.00 25.00 O ATOM 604 CB ARG A 41 18.664 24.650 5.969 1.00 25.00 C ATOM 605 CG ARG A 41 17.307 25.215 6.340 1.00 25.00 C ATOM 606 CD ARG A 41 16.305 25.113 5.225 1.00 25.00 C ATOM 607 NE ARG A 41 15.080 25.844 5.591 1.00 25.00 N ATOM 608 CZ ARG A 41 13.961 25.876 4.882 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.831 25.229 3.748 1.00 25.00 N ATOM 610 NH2 ARG A 41 12.954 26.576 5.323 1.00 25.00 N ATOM 0 H ARG A 41 19.699 26.678 7.103 1.00 25.00 H new ATOM 0 HA ARG A 41 19.172 23.935 7.976 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.126 25.276 5.206 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.543 23.657 5.536 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.926 24.686 7.214 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.420 26.261 6.625 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.725 25.524 4.307 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.071 24.067 5.028 1.00 25.00 H new ATOM 0 HE ARG A 41 15.094 26.370 6.465 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.608 24.677 3.384 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.953 25.278 3.231 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.035 27.088 6.201 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.085 26.612 4.790 1.00 25.00 H new ATOM 624 N ASN A 42 21.902 24.705 6.559 1.00 25.00 N ATOM 625 CA ASN A 42 23.230 24.193 6.191 1.00 25.00 C ATOM 626 C ASN A 42 24.354 24.908 6.947 1.00 25.00 C ATOM 627 O ASN A 42 25.101 25.703 6.355 1.00 25.00 O ATOM 628 CB ASN A 42 23.470 24.354 4.688 1.00 25.00 C ATOM 629 CG ASN A 42 24.620 23.511 4.198 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.394 22.989 4.968 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.737 23.385 2.913 1.00 25.00 N ATOM 0 H ASN A 42 21.847 25.722 6.611 1.00 25.00 H new ATOM 0 HA ASN A 42 23.245 23.138 6.464 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.565 24.079 4.146 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.670 25.402 4.465 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.500 22.832 2.522 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.066 23.839 2.293 1.00 25.00 H new ATOM 638 N PRO A 43 24.499 24.642 8.257 1.00 25.00 N ATOM 639 CA PRO A 43 25.570 25.367 8.955 1.00 25.00 C ATOM 640 C PRO A 43 27.008 25.267 8.379 1.00 25.00 C ATOM 641 O PRO A 43 27.693 26.296 8.334 1.00 25.00 O ATOM 642 CB PRO A 43 25.477 24.845 10.397 1.00 25.00 C ATOM 643 CG PRO A 43 24.686 23.572 10.319 1.00 25.00 C ATOM 644 CD PRO A 43 23.746 23.756 9.168 1.00 25.00 C ATOM 0 HA PRO A 43 25.406 26.439 8.844 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.468 24.665 10.813 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.987 25.571 11.045 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.338 22.714 10.160 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.141 23.391 11.246 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.499 22.806 8.694 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.806 24.208 9.484 1.00 25.00 H new ATOM 652 N PRO A 44 27.472 24.086 7.886 1.00 25.00 N ATOM 653 CA PRO A 44 28.843 24.190 7.359 1.00 25.00 C ATOM 654 C PRO A 44 29.004 25.037 6.084 1.00 25.00 C ATOM 655 O PRO A 44 30.039 25.685 5.909 1.00 25.00 O ATOM 656 CB PRO A 44 29.226 22.726 7.105 1.00 25.00 C ATOM 657 CG PRO A 44 27.959 22.058 6.824 1.00 25.00 C ATOM 658 CD PRO A 44 26.982 22.694 7.777 1.00 25.00 C ATOM 0 HA PRO A 44 29.484 24.717 8.066 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.916 22.637 6.266 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.721 22.289 7.973 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.655 22.203 5.787 1.00 25.00 H new ATOM 0 HG3 PRO A 44 28.032 20.983 6.988 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.962 22.655 7.394 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.978 22.192 8.744 1.00 25.00 H new ATOM 666 N LEU A 45 28.014 25.076 5.194 1.00 25.00 N ATOM 667 CA LEU A 45 28.145 25.934 4.013 1.00 25.00 C ATOM 668 C LEU A 45 27.969 27.384 4.433 1.00 25.00 C ATOM 669 O LEU A 45 28.588 28.293 3.877 1.00 25.00 O ATOM 670 CB LEU A 45 27.137 25.569 2.926 1.00 25.00 C ATOM 671 CG LEU A 45 27.281 26.327 1.586 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.696 26.221 0.985 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.268 25.776 0.584 1.00 25.00 C ATOM 0 H LEU A 45 27.144 24.547 5.259 1.00 25.00 H new ATOM 0 HA LEU A 45 29.138 25.785 3.588 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.218 24.500 2.727 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.134 25.745 3.314 1.00 25.00 H new ATOM 0 HG LEU A 45 27.095 27.381 1.792 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.735 26.773 0.046 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.420 26.641 1.683 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.935 25.174 0.801 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.366 26.308 -0.362 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.455 24.714 0.425 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.259 25.912 0.974 1.00 25.00 H new ATOM 685 N ALA A 46 27.140 27.603 5.440 1.00 25.00 N ATOM 686 CA ALA A 46 26.915 28.951 5.927 1.00 25.00 C ATOM 687 C ALA A 46 28.178 29.559 6.521 1.00 25.00 C ATOM 688 O ALA A 46 28.541 30.660 6.155 1.00 25.00 O ATOM 689 CB ALA A 46 25.825 28.951 6.951 1.00 25.00 C ATOM 0 H ALA A 46 26.619 26.875 5.929 1.00 25.00 H new ATOM 0 HA ALA A 46 26.620 29.562 5.074 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.664 29.967 7.311 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.905 28.574 6.504 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.111 28.312 7.786 1.00 25.00 H new ATOM 695 N GLU A 47 28.854 28.855 7.420 1.00 25.00 N ATOM 696 CA GLU A 47 30.061 29.410 8.059 1.00 25.00 C ATOM 697 C GLU A 47 31.148 29.742 7.033 1.00 25.00 C ATOM 698 O GLU A 47 31.886 30.714 7.192 1.00 25.00 O ATOM 699 CB GLU A 47 30.613 28.489 9.156 1.00 25.00 C ATOM 700 CG GLU A 47 31.198 27.175 8.676 1.00 25.00 C ATOM 701 CD GLU A 47 32.116 26.566 9.714 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.356 26.742 9.573 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.619 25.983 10.696 1.00 25.00 O ATOM 0 H GLU A 47 28.601 27.915 7.725 1.00 25.00 H new ATOM 0 HA GLU A 47 29.754 30.341 8.536 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.383 29.030 9.706 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.811 28.273 9.861 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.392 26.478 8.448 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.750 27.338 7.750 1.00 25.00 H new ATOM 710 N ALA A 48 31.199 28.978 5.953 1.00 25.00 N ATOM 711 CA ALA A 48 32.094 29.233 4.854 1.00 25.00 C ATOM 712 C ALA A 48 31.843 30.609 4.243 1.00 25.00 C ATOM 713 O ALA A 48 32.778 31.348 3.938 1.00 25.00 O ATOM 714 CB ALA A 48 31.913 28.126 3.814 1.00 25.00 C ATOM 0 H ALA A 48 30.610 28.156 5.821 1.00 25.00 H new ATOM 0 HA ALA A 48 33.123 29.232 5.215 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.584 28.303 2.973 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.144 27.161 4.266 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.882 28.124 3.461 1.00 25.00 H new ATOM 720 N LEU A 49 30.574 30.959 4.120 1.00 25.00 N ATOM 721 CA LEU A 49 30.174 32.255 3.598 1.00 25.00 C ATOM 722 C LEU A 49 30.473 33.358 4.606 1.00 25.00 C ATOM 723 O LEU A 49 30.950 34.426 4.239 1.00 25.00 O ATOM 724 CB LEU A 49 28.670 32.252 3.315 1.00 25.00 C ATOM 725 CG LEU A 49 28.133 33.528 2.664 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.360 33.476 1.165 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.660 33.680 2.995 1.00 25.00 C ATOM 0 H LEU A 49 29.794 30.355 4.378 1.00 25.00 H new ATOM 0 HA LEU A 49 30.734 32.441 2.682 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.439 31.406 2.667 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.139 32.089 4.253 1.00 25.00 H new ATOM 0 HG LEU A 49 28.664 34.396 3.053 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.976 34.387 0.707 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.427 33.390 0.961 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.840 32.613 0.748 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.275 34.589 2.532 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.111 32.818 2.615 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.535 33.742 4.076 1.00 25.00 H new ATOM 739 N LEU A 50 30.181 33.099 5.879 1.00 25.00 N ATOM 740 CA LEU A 50 30.350 34.108 6.936 1.00 25.00 C ATOM 741 C LEU A 50 31.816 34.488 7.055 1.00 25.00 C ATOM 742 O LEU A 50 32.166 35.620 7.372 1.00 25.00 O ATOM 743 CB LEU A 50 29.882 33.582 8.306 1.00 25.00 C ATOM 744 CG LEU A 50 28.499 32.923 8.456 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.173 32.752 9.925 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.382 33.652 7.729 1.00 25.00 C ATOM 0 H LEU A 50 29.826 32.201 6.209 1.00 25.00 H new ATOM 0 HA LEU A 50 29.744 34.971 6.659 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.623 32.857 8.643 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.917 34.420 9.002 1.00 25.00 H new ATOM 0 HG LEU A 50 28.563 31.948 7.973 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.193 32.285 10.028 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.927 32.120 10.394 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.163 33.727 10.411 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.441 33.124 7.885 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.297 34.667 8.117 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.605 33.689 6.663 1.00 25.00 H new ATOM 758 N SER A 51 32.666 33.507 6.806 1.00 25.00 N ATOM 759 CA SER A 51 34.106 33.675 6.879 1.00 25.00 C ATOM 760 C SER A 51 34.642 34.522 5.725 1.00 25.00 C ATOM 761 O SER A 51 35.732 35.081 5.815 1.00 25.00 O ATOM 762 CB SER A 51 34.745 32.308 6.819 1.00 25.00 C ATOM 763 OG SER A 51 36.120 32.350 7.167 1.00 25.00 O ATOM 0 H SER A 51 32.374 32.565 6.546 1.00 25.00 H new ATOM 0 HA SER A 51 34.346 34.189 7.810 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.220 31.632 7.494 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.637 31.901 5.814 1.00 25.00 H new ATOM 0 HG SER A 51 36.664 32.179 6.370 1.00 25.00 H new ATOM 769 N GLY A 52 33.891 34.574 4.632 1.00 25.00 N ATOM 770 CA GLY A 52 34.260 35.375 3.472 1.00 25.00 C ATOM 771 C GLY A 52 35.191 34.674 2.504 1.00 25.00 C ATOM 772 O GLY A 52 35.333 35.094 1.355 1.00 25.00 O ATOM 0 H GLY A 52 33.014 34.065 4.525 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.353 35.665 2.941 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.736 36.294 3.815 1.00 25.00 H new ATOM 776 N ASP A 53 35.835 33.612 2.959 1.00 25.00 N ATOM 777 CA ASP A 53 36.799 32.884 2.141 1.00 25.00 C ATOM 778 C ASP A 53 36.111 32.119 1.013 1.00 25.00 C ATOM 779 O ASP A 53 35.380 31.156 1.254 1.00 25.00 O ATOM 780 CB ASP A 53 37.582 31.887 2.993 1.00 25.00 C ATOM 781 CG ASP A 53 38.804 31.373 2.286 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.060 31.811 1.146 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.465 30.469 2.835 1.00 25.00 O ATOM 0 H ASP A 53 35.708 33.231 3.896 1.00 25.00 H new ATOM 0 HA ASP A 53 37.475 33.624 1.712 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.879 32.364 3.927 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.936 31.049 3.254 1.00 25.00 H new ATOM 788 N LEU A 54 36.360 32.521 -0.221 1.00 25.00 N ATOM 789 CA LEU A 54 35.789 31.822 -1.365 1.00 25.00 C ATOM 790 C LEU A 54 36.364 30.418 -1.445 1.00 25.00 C ATOM 791 O LEU A 54 35.672 29.486 -1.819 1.00 25.00 O ATOM 792 CB LEU A 54 36.084 32.587 -2.652 1.00 25.00 C ATOM 793 CG LEU A 54 35.446 32.091 -3.970 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.349 31.106 -4.711 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.039 31.479 -3.837 1.00 25.00 C ATOM 0 H LEU A 54 36.948 33.320 -0.458 1.00 25.00 H new ATOM 0 HA LEU A 54 34.708 31.758 -1.241 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.772 33.621 -2.502 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.165 32.597 -2.791 1.00 25.00 H new ATOM 0 HG LEU A 54 35.331 33.008 -4.547 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.860 30.785 -5.630 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.295 31.591 -4.953 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.538 30.239 -4.078 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.685 31.164 -4.819 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.079 30.616 -3.172 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.356 32.223 -3.426 1.00 25.00 H new ATOM 807 N GLU A 55 37.614 30.260 -1.051 1.00 25.00 N ATOM 808 CA GLU A 55 38.248 28.940 -1.062 1.00 25.00 C ATOM 809 C GLU A 55 37.435 27.971 -0.211 1.00 25.00 C ATOM 810 O GLU A 55 37.023 26.912 -0.684 1.00 25.00 O ATOM 811 CB GLU A 55 39.675 29.003 -0.516 1.00 25.00 C ATOM 812 CG GLU A 55 40.595 29.952 -1.253 1.00 25.00 C ATOM 813 CD GLU A 55 40.993 29.428 -2.625 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.266 29.709 -3.606 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.022 28.726 -2.722 1.00 25.00 O ATOM 0 H GLU A 55 38.212 31.017 -0.721 1.00 25.00 H new ATOM 0 HA GLU A 55 38.285 28.596 -2.096 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.635 29.299 0.532 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.106 28.002 -0.549 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.102 30.918 -1.365 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.492 30.120 -0.657 1.00 25.00 H new ATOM 822 N LYS A 56 37.161 28.338 1.038 1.00 25.00 N ATOM 823 CA LYS A 56 36.354 27.462 1.899 1.00 25.00 C ATOM 824 C LYS A 56 34.916 27.382 1.406 1.00 25.00 C ATOM 825 O LYS A 56 34.326 26.319 1.459 1.00 25.00 O ATOM 826 CB LYS A 56 36.446 27.837 3.399 1.00 25.00 C ATOM 827 CG LYS A 56 35.553 28.876 3.914 1.00 25.00 C ATOM 828 CD LYS A 56 36.047 29.328 5.299 1.00 25.00 C ATOM 829 CE LYS A 56 35.451 28.485 6.450 1.00 25.00 C ATOM 830 NZ LYS A 56 35.840 28.980 7.812 1.00 25.00 N ATOM 0 H LYS A 56 37.472 29.207 1.472 1.00 25.00 H new ATOM 0 HA LYS A 56 36.782 26.462 1.824 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.270 26.931 3.979 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.470 28.150 3.600 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.529 29.724 3.229 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.534 28.494 3.985 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.135 29.262 5.331 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.786 30.376 5.449 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.364 28.487 6.367 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.777 27.451 6.340 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.409 28.373 8.538 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.875 28.953 7.908 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.506 29.957 7.935 1.00 25.00 H new ATOM 844 N PHE A 57 34.364 28.464 0.878 1.00 25.00 N ATOM 845 CA PHE A 57 32.998 28.420 0.349 1.00 25.00 C ATOM 846 C PHE A 57 32.881 27.417 -0.791 1.00 25.00 C ATOM 847 O PHE A 57 32.031 26.543 -0.753 1.00 25.00 O ATOM 848 CB PHE A 57 32.533 29.805 -0.103 1.00 25.00 C ATOM 849 CG PHE A 57 31.099 29.832 -0.557 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.782 29.791 -1.930 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.053 29.875 0.385 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.432 29.799 -2.359 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.701 29.878 -0.037 1.00 25.00 C ATOM 854 CZ PHE A 57 28.394 29.838 -1.413 1.00 25.00 C ATOM 0 H PHE A 57 34.826 29.370 0.802 1.00 25.00 H new ATOM 0 HA PHE A 57 32.345 28.092 1.158 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.660 30.510 0.719 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.171 30.147 -0.918 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.576 29.753 -2.661 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.284 29.906 1.440 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.201 29.775 -3.414 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.906 29.911 0.694 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.364 29.837 -1.738 1.00 25.00 H new ATOM 864 N SER A 58 33.760 27.509 -1.774 1.00 25.00 N ATOM 865 CA SER A 58 33.770 26.574 -2.896 1.00 25.00 C ATOM 866 C SER A 58 34.063 25.150 -2.450 1.00 25.00 C ATOM 867 O SER A 58 33.477 24.198 -2.966 1.00 25.00 O ATOM 868 CB SER A 58 34.833 27.003 -3.910 1.00 25.00 C ATOM 869 OG SER A 58 34.802 26.178 -5.062 1.00 25.00 O ATOM 0 H SER A 58 34.483 28.227 -1.821 1.00 25.00 H new ATOM 0 HA SER A 58 32.777 26.592 -3.346 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.667 28.041 -4.198 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.820 26.953 -3.450 1.00 25.00 H new ATOM 0 HG SER A 58 35.489 26.474 -5.695 1.00 25.00 H new ATOM 875 N ARG A 59 34.960 25.000 -1.487 1.00 25.00 N ATOM 876 CA ARG A 59 35.324 23.681 -0.975 1.00 25.00 C ATOM 877 C ARG A 59 34.110 23.010 -0.349 1.00 25.00 C ATOM 878 O ARG A 59 33.800 21.875 -0.670 1.00 25.00 O ATOM 879 CB ARG A 59 36.469 23.819 0.039 1.00 25.00 C ATOM 880 CG ARG A 59 36.786 22.560 0.838 1.00 25.00 C ATOM 881 CD ARG A 59 36.326 22.709 2.293 1.00 25.00 C ATOM 882 NE ARG A 59 37.463 22.811 3.224 1.00 25.00 N ATOM 883 CZ ARG A 59 37.971 21.801 3.925 1.00 25.00 C ATOM 884 NH1 ARG A 59 37.515 20.579 3.849 1.00 25.00 N ATOM 885 NH2 ARG A 59 38.970 22.035 4.730 1.00 25.00 N ATOM 0 H ARG A 59 35.452 25.775 -1.042 1.00 25.00 H new ATOM 0 HA ARG A 59 35.667 23.052 -1.797 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.369 24.128 -0.493 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.221 24.619 0.736 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.294 21.701 0.382 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.858 22.365 0.809 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.700 23.597 2.386 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.709 21.854 2.567 1.00 25.00 H new ATOM 0 HE ARG A 59 37.895 23.728 3.340 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.733 20.364 3.230 1.00 25.00 H new ATOM 0 HH12 ARG A 59 37.941 19.840 4.409 1.00 25.00 H new ATOM 0 HH21 ARG A 59 39.348 22.979 4.813 1.00 25.00 H new ATOM 0 HH22 ARG A 59 39.374 21.274 5.276 1.00 25.00 H new ATOM 899 N VAL A 60 33.394 23.719 0.506 1.00 25.00 N ATOM 900 CA VAL A 60 32.227 23.126 1.151 1.00 25.00 C ATOM 901 C VAL A 60 31.117 22.936 0.119 1.00 25.00 C ATOM 902 O VAL A 60 30.381 21.957 0.161 1.00 25.00 O ATOM 903 CB VAL A 60 31.723 23.977 2.345 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.513 23.306 3.002 1.00 25.00 C ATOM 905 CG2 VAL A 60 32.837 24.135 3.395 1.00 25.00 C ATOM 0 H VAL A 60 33.590 24.685 0.768 1.00 25.00 H new ATOM 0 HA VAL A 60 32.521 22.158 1.556 1.00 25.00 H new ATOM 0 HB VAL A 60 31.436 24.958 1.967 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.170 23.914 3.839 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.710 23.208 2.271 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.797 22.318 3.364 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.470 24.735 4.228 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.136 23.152 3.759 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.696 24.630 2.942 1.00 25.00 H new ATOM 915 N LEU A 61 31.020 23.844 -0.841 1.00 25.00 N ATOM 916 CA LEU A 61 29.998 23.743 -1.881 1.00 25.00 C ATOM 917 C LEU A 61 30.100 22.426 -2.652 1.00 25.00 C ATOM 918 O LEU A 61 29.090 21.766 -2.889 1.00 25.00 O ATOM 919 CB LEU A 61 30.124 24.917 -2.856 1.00 25.00 C ATOM 920 CG LEU A 61 28.886 25.169 -3.720 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.099 26.306 -3.117 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.259 25.536 -5.130 1.00 25.00 C ATOM 0 H LEU A 61 31.631 24.656 -0.924 1.00 25.00 H new ATOM 0 HA LEU A 61 29.026 23.772 -1.389 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.343 25.821 -2.288 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.977 24.737 -3.511 1.00 25.00 H new ATOM 0 HG LEU A 61 28.297 24.252 -3.749 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.213 26.497 -3.723 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.796 26.042 -2.104 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.719 27.202 -3.088 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.354 25.707 -5.713 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.863 26.443 -5.122 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.831 24.724 -5.578 1.00 25.00 H new ATOM 934 N VAL A 62 31.306 22.030 -3.035 1.00 25.00 N ATOM 935 CA VAL A 62 31.477 20.777 -3.776 1.00 25.00 C ATOM 936 C VAL A 62 31.368 19.571 -2.835 1.00 25.00 C ATOM 937 O VAL A 62 30.832 18.536 -3.207 1.00 25.00 O ATOM 938 CB VAL A 62 32.808 20.763 -4.607 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.060 20.751 -3.722 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.826 19.569 -5.553 1.00 25.00 C ATOM 0 H VAL A 62 32.168 22.543 -2.852 1.00 25.00 H new ATOM 0 HA VAL A 62 30.666 20.704 -4.500 1.00 25.00 H new ATOM 0 HB VAL A 62 32.831 21.689 -5.182 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.950 20.742 -4.351 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.070 21.641 -3.093 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.052 19.862 -3.092 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.755 19.571 -6.124 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.756 18.647 -4.976 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.980 19.634 -6.237 1.00 25.00 H new ATOM 950 N GLU A 63 31.820 19.716 -1.601 1.00 25.00 N ATOM 951 CA GLU A 63 31.704 18.638 -0.610 1.00 25.00 C ATOM 952 C GLU A 63 30.239 18.303 -0.338 1.00 25.00 C ATOM 953 O GLU A 63 29.866 17.139 -0.307 1.00 25.00 O ATOM 954 CB GLU A 63 32.395 19.042 0.690 1.00 25.00 C ATOM 955 CG GLU A 63 33.913 18.909 0.617 1.00 25.00 C ATOM 956 CD GLU A 63 34.621 19.544 1.807 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.972 20.244 2.611 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.857 19.380 1.910 1.00 25.00 O ATOM 0 H GLU A 63 32.270 20.563 -1.254 1.00 25.00 H new ATOM 0 HA GLU A 63 32.191 17.751 -1.014 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.136 20.074 0.929 1.00 25.00 H new ATOM 0 HB3 GLU A 63 32.019 18.422 1.504 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.178 17.853 0.564 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.270 19.374 -0.302 1.00 25.00 H new ATOM 965 N GLN A 64 29.400 19.318 -0.204 1.00 25.00 N ATOM 966 CA GLN A 64 27.965 19.111 0.013 1.00 25.00 C ATOM 967 C GLN A 64 27.332 18.379 -1.167 1.00 25.00 C ATOM 968 O GLN A 64 26.448 17.546 -0.988 1.00 25.00 O ATOM 969 CB GLN A 64 27.268 20.460 0.210 1.00 25.00 C ATOM 970 CG GLN A 64 27.526 21.096 1.581 1.00 25.00 C ATOM 971 CD GLN A 64 26.799 20.375 2.698 1.00 25.00 C ATOM 972 OE1 GLN A 64 25.592 20.183 2.637 1.00 25.00 O ATOM 973 NE2 GLN A 64 27.520 19.987 3.719 1.00 25.00 N ATOM 0 H GLN A 64 29.682 20.297 -0.241 1.00 25.00 H new ATOM 0 HA GLN A 64 27.842 18.499 0.907 1.00 25.00 H new ATOM 0 HB2 GLN A 64 27.601 21.147 -0.567 1.00 25.00 H new ATOM 0 HB3 GLN A 64 26.194 20.326 0.078 1.00 25.00 H new ATOM 0 HG2 GLN A 64 28.597 21.091 1.785 1.00 25.00 H new ATOM 0 HG3 GLN A 64 27.211 22.139 1.560 1.00 25.00 H new ATOM 0 HE21 GLN A 64 28.524 20.166 3.732 1.00 25.00 H new ATOM 0 HE22 GLN A 64 27.078 19.505 4.502 1.00 25.00 H new ATOM 982 N GLN A 65 27.799 18.658 -2.375 1.00 25.00 N ATOM 983 CA GLN A 65 27.281 17.970 -3.561 1.00 25.00 C ATOM 984 C GLN A 65 27.722 16.506 -3.572 1.00 25.00 C ATOM 985 O GLN A 65 26.936 15.615 -3.913 1.00 25.00 O ATOM 986 CB GLN A 65 27.745 18.677 -4.837 1.00 25.00 C ATOM 987 CG GLN A 65 27.120 20.057 -5.018 1.00 25.00 C ATOM 988 CD GLN A 65 27.668 20.790 -6.222 1.00 25.00 C ATOM 989 OE1 GLN A 65 27.441 20.399 -7.352 1.00 25.00 O ATOM 990 NE2 GLN A 65 28.378 21.860 -5.982 1.00 25.00 N ATOM 0 H GLN A 65 28.527 19.347 -2.565 1.00 25.00 H new ATOM 0 HA GLN A 65 26.192 18.000 -3.525 1.00 25.00 H new ATOM 0 HB2 GLN A 65 28.830 18.776 -4.816 1.00 25.00 H new ATOM 0 HB3 GLN A 65 27.498 18.057 -5.699 1.00 25.00 H new ATOM 0 HG2 GLN A 65 26.040 19.952 -5.122 1.00 25.00 H new ATOM 0 HG3 GLN A 65 27.298 20.653 -4.123 1.00 25.00 H new ATOM 0 HE21 GLN A 65 28.546 22.155 -5.020 1.00 25.00 H new ATOM 0 HE22 GLN A 65 28.764 22.400 -6.756 1.00 25.00 H new ATOM 999 N GLN A 66 28.955 16.240 -3.158 1.00 25.00 N ATOM 1000 CA GLN A 66 29.452 14.864 -3.078 1.00 25.00 C ATOM 1001 C GLN A 66 28.711 14.091 -1.988 1.00 25.00 C ATOM 1002 O GLN A 66 28.380 12.926 -2.163 1.00 25.00 O ATOM 1003 CB GLN A 66 30.953 14.850 -2.776 1.00 25.00 C ATOM 1004 CG GLN A 66 31.821 15.392 -3.899 1.00 25.00 C ATOM 1005 CD GLN A 66 33.275 15.481 -3.499 1.00 25.00 C ATOM 1006 OE1 GLN A 66 34.009 14.512 -3.578 1.00 25.00 O ATOM 1007 NE2 GLN A 66 33.690 16.638 -3.059 1.00 25.00 N ATOM 0 H GLN A 66 29.629 16.951 -2.873 1.00 25.00 H new ATOM 0 HA GLN A 66 29.276 14.386 -4.042 1.00 25.00 H new ATOM 0 HB2 GLN A 66 31.136 15.436 -1.876 1.00 25.00 H new ATOM 0 HB3 GLN A 66 31.258 13.827 -2.558 1.00 25.00 H new ATOM 0 HG2 GLN A 66 31.725 14.749 -4.774 1.00 25.00 H new ATOM 0 HG3 GLN A 66 31.464 16.380 -4.189 1.00 25.00 H new ATOM 0 HE21 GLN A 66 33.044 17.426 -3.008 1.00 25.00 H new ATOM 0 HE22 GLN A 66 34.660 16.754 -2.766 1.00 25.00 H new ATOM 1016 N ASP A 67 28.431 14.750 -0.875 1.00 25.00 N ATOM 1017 CA ASP A 67 27.714 14.118 0.228 1.00 25.00 C ATOM 1018 C ASP A 67 26.295 13.794 -0.189 1.00 25.00 C ATOM 1019 O ASP A 67 25.789 12.705 0.060 1.00 25.00 O ATOM 1020 CB ASP A 67 27.660 15.033 1.441 1.00 25.00 C ATOM 1021 CG ASP A 67 27.175 14.305 2.675 1.00 25.00 C ATOM 1022 OD1 ASP A 67 25.992 14.460 3.031 1.00 25.00 O ATOM 1023 OD2 ASP A 67 27.946 13.488 3.223 1.00 25.00 O ATOM 0 H ASP A 67 28.688 15.723 -0.709 1.00 25.00 H new ATOM 0 HA ASP A 67 28.250 13.205 0.488 1.00 25.00 H new ATOM 0 HB2 ASP A 67 28.651 15.446 1.629 1.00 25.00 H new ATOM 0 HB3 ASP A 67 26.999 15.874 1.232 1.00 25.00 H new ATOM 1028 N ARG A 68 25.662 14.730 -0.866 1.00 25.00 N ATOM 1029 CA ARG A 68 24.319 14.509 -1.391 1.00 25.00 C ATOM 1030 C ARG A 68 24.314 13.286 -2.272 1.00 25.00 C ATOM 1031 O ARG A 68 23.443 12.430 -2.147 1.00 25.00 O ATOM 1032 CB ARG A 68 23.827 15.697 -2.217 1.00 25.00 C ATOM 1033 CG ARG A 68 22.980 16.683 -1.435 1.00 25.00 C ATOM 1034 CD ARG A 68 22.042 17.427 -2.376 1.00 25.00 C ATOM 1035 NE ARG A 68 20.979 16.532 -2.872 1.00 25.00 N ATOM 1036 CZ ARG A 68 20.089 16.835 -3.810 1.00 25.00 C ATOM 1037 NH1 ARG A 68 20.054 18.002 -4.409 1.00 25.00 N ATOM 1038 NH2 ARG A 68 19.222 15.928 -4.145 1.00 25.00 N ATOM 0 H ARG A 68 26.050 15.651 -1.068 1.00 25.00 H new ATOM 0 HA ARG A 68 23.654 14.378 -0.537 1.00 25.00 H new ATOM 0 HB2 ARG A 68 24.689 16.221 -2.630 1.00 25.00 H new ATOM 0 HB3 ARG A 68 23.247 15.324 -3.061 1.00 25.00 H new ATOM 0 HG2 ARG A 68 22.403 16.156 -0.675 1.00 25.00 H new ATOM 0 HG3 ARG A 68 23.622 17.392 -0.913 1.00 25.00 H new ATOM 0 HD2 ARG A 68 21.596 18.275 -1.857 1.00 25.00 H new ATOM 0 HD3 ARG A 68 22.607 17.829 -3.217 1.00 25.00 H new ATOM 0 HE ARG A 68 20.923 15.601 -2.459 1.00 25.00 H new ATOM 0 HH11 ARG A 68 20.730 18.724 -4.160 1.00 25.00 H new ATOM 0 HH12 ARG A 68 19.351 18.187 -5.124 1.00 25.00 H new ATOM 0 HH21 ARG A 68 19.238 15.015 -3.691 1.00 25.00 H new ATOM 0 HH22 ARG A 68 18.525 16.129 -4.862 1.00 25.00 H new ATOM 1052 N ALA A 69 25.294 13.189 -3.154 1.00 25.00 N ATOM 1053 CA ALA A 69 25.388 12.053 -4.052 1.00 25.00 C ATOM 1054 C ALA A 69 25.595 10.749 -3.283 1.00 25.00 C ATOM 1055 O ALA A 69 24.978 9.733 -3.613 1.00 25.00 O ATOM 1056 CB ALA A 69 26.533 12.273 -5.051 1.00 25.00 C ATOM 0 H ALA A 69 26.034 13.882 -3.267 1.00 25.00 H new ATOM 0 HA ALA A 69 24.447 11.969 -4.595 1.00 25.00 H new ATOM 0 HB1 ALA A 69 26.599 11.417 -5.723 1.00 25.00 H new ATOM 0 HB2 ALA A 69 26.341 13.176 -5.631 1.00 25.00 H new ATOM 0 HB3 ALA A 69 27.472 12.382 -4.509 1.00 25.00 H new ATOM 1062 N ARG A 70 26.458 10.743 -2.272 1.00 25.00 N ATOM 1063 CA ARG A 70 26.740 9.498 -1.545 1.00 25.00 C ATOM 1064 C ARG A 70 25.524 9.043 -0.753 1.00 25.00 C ATOM 1065 O ARG A 70 25.180 7.867 -0.786 1.00 25.00 O ATOM 1066 CB ARG A 70 28.000 9.658 -0.645 1.00 25.00 C ATOM 1067 CG ARG A 70 27.753 10.086 0.803 1.00 25.00 C ATOM 1068 CD ARG A 70 29.022 10.208 1.627 1.00 25.00 C ATOM 1069 NE ARG A 70 28.706 10.806 2.937 1.00 25.00 N ATOM 1070 CZ ARG A 70 28.470 10.143 4.064 1.00 25.00 C ATOM 1071 NH1 ARG A 70 28.512 8.827 4.142 1.00 25.00 N ATOM 1072 NH2 ARG A 70 28.176 10.823 5.131 1.00 25.00 N ATOM 0 H ARG A 70 26.966 11.562 -1.939 1.00 25.00 H new ATOM 0 HA ARG A 70 26.959 8.715 -2.271 1.00 25.00 H new ATOM 0 HB2 ARG A 70 28.534 8.708 -0.634 1.00 25.00 H new ATOM 0 HB3 ARG A 70 28.661 10.390 -1.109 1.00 25.00 H new ATOM 0 HG2 ARG A 70 27.235 11.045 0.806 1.00 25.00 H new ATOM 0 HG3 ARG A 70 27.090 9.363 1.278 1.00 25.00 H new ATOM 0 HD2 ARG A 70 29.474 9.226 1.764 1.00 25.00 H new ATOM 0 HD3 ARG A 70 29.751 10.824 1.101 1.00 25.00 H new ATOM 0 HE ARG A 70 28.665 11.824 2.982 1.00 25.00 H new ATOM 0 HH11 ARG A 70 28.733 8.274 3.314 1.00 25.00 H new ATOM 0 HH12 ARG A 70 28.323 8.362 5.030 1.00 25.00 H new ATOM 0 HH21 ARG A 70 28.131 11.841 5.091 1.00 25.00 H new ATOM 0 HH22 ARG A 70 27.990 10.339 6.009 1.00 25.00 H new ATOM 1086 N ARG A 71 24.839 9.963 -0.088 1.00 25.00 N ATOM 1087 CA ARG A 71 23.722 9.571 0.762 1.00 25.00 C ATOM 1088 C ARG A 71 22.501 9.188 -0.054 1.00 25.00 C ATOM 1089 O ARG A 71 21.851 8.218 0.264 1.00 25.00 O ATOM 1090 CB ARG A 71 23.426 10.663 1.803 1.00 25.00 C ATOM 1091 CG ARG A 71 22.782 11.931 1.278 1.00 25.00 C ATOM 1092 CD ARG A 71 23.058 13.085 2.223 1.00 25.00 C ATOM 1093 NE ARG A 71 22.231 14.267 1.925 1.00 25.00 N ATOM 1094 CZ ARG A 71 22.462 15.491 2.389 1.00 25.00 C ATOM 1095 NH1 ARG A 71 23.501 15.790 3.121 1.00 25.00 N ATOM 1096 NH2 ARG A 71 21.619 16.445 2.102 1.00 25.00 N ATOM 0 H ARG A 71 25.030 10.964 -0.118 1.00 25.00 H new ATOM 0 HA ARG A 71 24.007 8.673 1.310 1.00 25.00 H new ATOM 0 HB2 ARG A 71 22.775 10.240 2.568 1.00 25.00 H new ATOM 0 HB3 ARG A 71 24.362 10.932 2.293 1.00 25.00 H new ATOM 0 HG2 ARG A 71 23.171 12.162 0.286 1.00 25.00 H new ATOM 0 HG3 ARG A 71 21.707 11.786 1.173 1.00 25.00 H new ATOM 0 HD2 ARG A 71 22.872 12.764 3.248 1.00 25.00 H new ATOM 0 HD3 ARG A 71 24.112 13.357 2.161 1.00 25.00 H new ATOM 0 HE ARG A 71 21.422 14.137 1.318 1.00 25.00 H new ATOM 0 HH11 ARG A 71 24.181 15.068 3.361 1.00 25.00 H new ATOM 0 HH12 ARG A 71 23.633 16.745 3.453 1.00 25.00 H new ATOM 0 HH21 ARG A 71 20.798 16.245 1.530 1.00 25.00 H new ATOM 0 HH22 ARG A 71 21.781 17.390 2.450 1.00 25.00 H new ATOM 1110 N GLU A 72 22.222 9.895 -1.138 1.00 25.00 N ATOM 1111 CA GLU A 72 21.081 9.548 -1.992 1.00 25.00 C ATOM 1112 C GLU A 72 21.196 8.122 -2.529 1.00 25.00 C ATOM 1113 O GLU A 72 20.200 7.405 -2.589 1.00 25.00 O ATOM 1114 CB GLU A 72 20.957 10.518 -3.174 1.00 25.00 C ATOM 1115 CG GLU A 72 19.786 11.507 -3.063 1.00 25.00 C ATOM 1116 CD GLU A 72 19.966 12.564 -1.971 1.00 25.00 C ATOM 1117 OE1 GLU A 72 20.161 13.756 -2.313 1.00 25.00 O ATOM 1118 OE2 GLU A 72 19.729 12.238 -0.783 1.00 25.00 O ATOM 0 H GLU A 72 22.759 10.704 -1.450 1.00 25.00 H new ATOM 0 HA GLU A 72 20.190 9.622 -1.369 1.00 25.00 H new ATOM 0 HB2 GLU A 72 21.885 11.082 -3.265 1.00 25.00 H new ATOM 0 HB3 GLU A 72 20.844 9.941 -4.092 1.00 25.00 H new ATOM 0 HG2 GLU A 72 19.655 12.009 -4.022 1.00 25.00 H new ATOM 0 HG3 GLU A 72 18.870 10.949 -2.867 1.00 25.00 H new ATOM 1125 N GLN A 73 22.406 7.700 -2.877 1.00 25.00 N ATOM 1126 CA GLN A 73 22.623 6.334 -3.364 1.00 25.00 C ATOM 1127 C GLN A 73 22.286 5.312 -2.284 1.00 25.00 C ATOM 1128 O GLN A 73 21.726 4.263 -2.573 1.00 25.00 O ATOM 1129 CB GLN A 73 24.073 6.141 -3.807 1.00 25.00 C ATOM 1130 CG GLN A 73 24.399 6.830 -5.120 1.00 25.00 C ATOM 1131 CD GLN A 73 25.862 6.707 -5.471 1.00 25.00 C ATOM 1132 OE1 GLN A 73 26.291 5.731 -6.062 1.00 25.00 O ATOM 1133 NE2 GLN A 73 26.635 7.694 -5.100 1.00 25.00 N ATOM 0 H GLN A 73 23.248 8.274 -2.833 1.00 25.00 H new ATOM 0 HA GLN A 73 21.963 6.180 -4.218 1.00 25.00 H new ATOM 0 HB2 GLN A 73 24.736 6.522 -3.031 1.00 25.00 H new ATOM 0 HB3 GLN A 73 24.277 5.075 -3.904 1.00 25.00 H new ATOM 0 HG2 GLN A 73 23.796 6.396 -5.918 1.00 25.00 H new ATOM 0 HG3 GLN A 73 24.129 7.884 -5.054 1.00 25.00 H new ATOM 0 HE21 GLN A 73 26.239 8.494 -4.607 1.00 25.00 H new ATOM 0 HE22 GLN A 73 27.634 7.664 -5.304 1.00 25.00 H new ATOM 1142 N GLU A 74 22.599 5.626 -1.040 1.00 25.00 N ATOM 1143 CA GLU A 74 22.275 4.732 0.068 1.00 25.00 C ATOM 1144 C GLU A 74 20.773 4.752 0.373 1.00 25.00 C ATOM 1145 O GLU A 74 20.189 3.725 0.716 1.00 25.00 O ATOM 1146 CB GLU A 74 23.065 5.125 1.308 1.00 25.00 C ATOM 1147 CG GLU A 74 24.555 4.873 1.157 1.00 25.00 C ATOM 1148 CD GLU A 74 25.323 5.209 2.418 1.00 25.00 C ATOM 1149 OE1 GLU A 74 24.680 5.416 3.469 1.00 25.00 O ATOM 1150 OE2 GLU A 74 26.570 5.230 2.368 1.00 25.00 O ATOM 0 H GLU A 74 23.074 6.487 -0.768 1.00 25.00 H new ATOM 0 HA GLU A 74 22.549 3.718 -0.224 1.00 25.00 H new ATOM 0 HB2 GLU A 74 22.899 6.181 1.520 1.00 25.00 H new ATOM 0 HB3 GLU A 74 22.691 4.565 2.165 1.00 25.00 H new ATOM 0 HG2 GLU A 74 24.721 3.827 0.901 1.00 25.00 H new ATOM 0 HG3 GLU A 74 24.940 5.469 0.329 1.00 25.00 H new ATOM 1157 N ARG A 75 20.129 5.901 0.200 1.00 25.00 N ATOM 1158 CA ARG A 75 18.683 5.996 0.447 1.00 25.00 C ATOM 1159 C ARG A 75 17.896 5.155 -0.557 1.00 25.00 C ATOM 1160 O ARG A 75 16.954 4.470 -0.176 1.00 25.00 O ATOM 1161 CB ARG A 75 18.203 7.461 0.439 1.00 25.00 C ATOM 1162 CG ARG A 75 18.849 8.294 1.555 1.00 25.00 C ATOM 1163 CD ARG A 75 18.100 9.562 1.931 1.00 25.00 C ATOM 1164 NE ARG A 75 17.972 10.545 0.839 1.00 25.00 N ATOM 1165 CZ ARG A 75 16.831 11.008 0.348 1.00 25.00 C ATOM 1166 NH1 ARG A 75 15.656 10.594 0.761 1.00 25.00 N ATOM 1167 NH2 ARG A 75 16.879 11.927 -0.569 1.00 25.00 N ATOM 0 H ARG A 75 20.570 6.769 -0.105 1.00 25.00 H new ATOM 0 HA ARG A 75 18.494 5.594 1.442 1.00 25.00 H new ATOM 0 HB2 ARG A 75 18.434 7.911 -0.527 1.00 25.00 H new ATOM 0 HB3 ARG A 75 17.119 7.486 0.551 1.00 25.00 H new ATOM 0 HG2 ARG A 75 18.944 7.670 2.444 1.00 25.00 H new ATOM 0 HG3 ARG A 75 19.859 8.565 1.246 1.00 25.00 H new ATOM 0 HD2 ARG A 75 17.103 9.290 2.277 1.00 25.00 H new ATOM 0 HD3 ARG A 75 18.610 10.035 2.770 1.00 25.00 H new ATOM 0 HE ARG A 75 18.835 10.899 0.426 1.00 25.00 H new ATOM 0 HH11 ARG A 75 15.593 9.885 1.492 1.00 25.00 H new ATOM 0 HH12 ARG A 75 14.806 10.981 0.351 1.00 25.00 H new ATOM 0 HH21 ARG A 75 17.780 12.276 -0.895 1.00 25.00 H new ATOM 0 HH22 ARG A 75 16.015 12.300 -0.963 1.00 25.00 H new ATOM 1181 N ILE A 76 18.292 5.160 -1.824 1.00 25.00 N ATOM 1182 CA ILE A 76 17.614 4.322 -2.828 1.00 25.00 C ATOM 1183 C ILE A 76 18.019 2.849 -2.690 1.00 25.00 C ATOM 1184 O ILE A 76 17.325 1.959 -3.169 1.00 25.00 O ATOM 1185 CB ILE A 76 17.853 4.820 -4.289 1.00 25.00 C ATOM 1186 CG1 ILE A 76 19.334 4.678 -4.689 1.00 25.00 C ATOM 1187 CG2 ILE A 76 17.373 6.293 -4.422 1.00 25.00 C ATOM 1188 CD1 ILE A 76 19.634 5.000 -6.152 1.00 25.00 C ATOM 0 H ILE A 76 19.064 5.721 -2.185 1.00 25.00 H new ATOM 0 HA ILE A 76 16.546 4.410 -2.629 1.00 25.00 H new ATOM 0 HB ILE A 76 17.274 4.199 -4.973 1.00 25.00 H new ATOM 0 HG12 ILE A 76 19.932 5.335 -4.057 1.00 25.00 H new ATOM 0 HG13 ILE A 76 19.656 3.657 -4.482 1.00 25.00 H new ATOM 0 HG21 ILE A 76 17.540 6.640 -5.442 1.00 25.00 H new ATOM 0 HG22 ILE A 76 16.310 6.352 -4.189 1.00 25.00 H new ATOM 0 HG23 ILE A 76 17.932 6.922 -3.729 1.00 25.00 H new ATOM 0 HD11 ILE A 76 20.700 4.873 -6.341 1.00 25.00 H new ATOM 0 HD12 ILE A 76 19.068 4.327 -6.796 1.00 25.00 H new ATOM 0 HD13 ILE A 76 19.348 6.030 -6.364 1.00 25.00 H new ATOM 1200 N ARG A 77 19.137 2.595 -2.018 1.00 25.00 N ATOM 1201 CA ARG A 77 19.598 1.225 -1.761 1.00 25.00 C ATOM 1202 C ARG A 77 18.777 0.559 -0.671 1.00 25.00 C ATOM 1203 O ARG A 77 18.853 -0.665 -0.519 1.00 25.00 O ATOM 1204 CB ARG A 77 21.059 1.248 -1.298 1.00 25.00 C ATOM 1205 CG ARG A 77 22.035 0.636 -2.280 1.00 25.00 C ATOM 1206 CD ARG A 77 21.912 -0.878 -2.288 1.00 25.00 C ATOM 1207 NE ARG A 77 22.891 -1.491 -3.201 1.00 25.00 N ATOM 1208 CZ ARG A 77 22.988 -2.791 -3.455 1.00 25.00 C ATOM 1209 NH1 ARG A 77 22.198 -3.674 -2.894 1.00 25.00 N ATOM 1210 NH2 ARG A 77 23.899 -3.210 -4.289 1.00 25.00 N ATOM 0 H ARG A 77 19.746 3.319 -1.638 1.00 25.00 H new ATOM 0 HA ARG A 77 19.490 0.665 -2.690 1.00 25.00 H new ATOM 0 HB2 ARG A 77 21.352 2.281 -1.109 1.00 25.00 H new ATOM 0 HB3 ARG A 77 21.135 0.717 -0.349 1.00 25.00 H new ATOM 0 HG2 ARG A 77 21.845 1.026 -3.280 1.00 25.00 H new ATOM 0 HG3 ARG A 77 23.053 0.922 -2.014 1.00 25.00 H new ATOM 0 HD2 ARG A 77 22.063 -1.262 -1.279 1.00 25.00 H new ATOM 0 HD3 ARG A 77 20.904 -1.161 -2.590 1.00 25.00 H new ATOM 0 HE ARG A 77 23.546 -0.869 -3.675 1.00 25.00 H new ATOM 0 HH11 ARG A 77 21.479 -3.371 -2.238 1.00 25.00 H new ATOM 0 HH12 ARG A 77 22.303 -4.664 -3.114 1.00 25.00 H new ATOM 0 HH21 ARG A 77 24.526 -2.542 -4.737 1.00 25.00 H new ATOM 0 HH22 ARG A 77 23.984 -4.206 -4.493 1.00 25.00 H new ATOM 1224 N LEU A 78 18.040 1.379 0.081 1.00 25.00 N ATOM 1225 CA LEU A 78 17.230 1.002 1.249 1.00 25.00 C ATOM 1226 C LEU A 78 18.036 0.496 2.453 1.00 25.00 C ATOM 1227 O LEU A 78 17.784 0.906 3.583 1.00 25.00 O ATOM 1228 CB LEU A 78 16.151 0.006 0.837 1.00 25.00 C ATOM 1229 CG LEU A 78 15.215 -0.525 1.938 1.00 25.00 C ATOM 1230 CD1 LEU A 78 14.381 0.595 2.567 1.00 25.00 C ATOM 1231 CD2 LEU A 78 14.290 -1.591 1.349 1.00 25.00 C ATOM 0 H LEU A 78 17.987 2.378 -0.116 1.00 25.00 H new ATOM 0 HA LEU A 78 16.764 1.921 1.603 1.00 25.00 H new ATOM 0 HB2 LEU A 78 15.535 0.476 0.070 1.00 25.00 H new ATOM 0 HB3 LEU A 78 16.642 -0.849 0.372 1.00 25.00 H new ATOM 0 HG LEU A 78 15.833 -0.958 2.725 1.00 25.00 H new ATOM 0 HD11 LEU A 78 13.734 0.178 3.339 1.00 25.00 H new ATOM 0 HD12 LEU A 78 15.044 1.337 3.012 1.00 25.00 H new ATOM 0 HD13 LEU A 78 13.770 1.069 1.799 1.00 25.00 H new ATOM 0 HD21 LEU A 78 13.627 -1.968 2.128 1.00 25.00 H new ATOM 0 HD22 LEU A 78 13.696 -1.154 0.546 1.00 25.00 H new ATOM 0 HD23 LEU A 78 14.887 -2.412 0.953 1.00 25.00 H new ATOM 1243 N PHE A 79 19.015 -0.356 2.215 1.00 25.00 N ATOM 1244 CA PHE A 79 19.868 -0.856 3.280 1.00 25.00 C ATOM 1245 C PHE A 79 21.187 -0.112 3.290 1.00 25.00 C ATOM 1246 O PHE A 79 21.911 -0.105 2.292 1.00 25.00 O ATOM 1247 CB PHE A 79 20.162 -2.339 3.082 1.00 25.00 C ATOM 1248 CG PHE A 79 18.921 -3.180 2.904 1.00 25.00 C ATOM 1249 CD1 PHE A 79 18.210 -3.657 4.021 1.00 25.00 C ATOM 1250 CD2 PHE A 79 18.443 -3.486 1.611 1.00 25.00 C ATOM 1251 CE1 PHE A 79 17.031 -4.436 3.856 1.00 25.00 C ATOM 1252 CE2 PHE A 79 17.270 -4.262 1.434 1.00 25.00 C ATOM 1253 CZ PHE A 79 16.563 -4.735 2.560 1.00 25.00 C ATOM 0 H PHE A 79 19.241 -0.719 1.289 1.00 25.00 H new ATOM 0 HA PHE A 79 19.343 -0.705 4.223 1.00 25.00 H new ATOM 0 HB2 PHE A 79 20.802 -2.461 2.208 1.00 25.00 H new ATOM 0 HB3 PHE A 79 20.722 -2.708 3.941 1.00 25.00 H new ATOM 0 HD1 PHE A 79 18.564 -3.429 5.016 1.00 25.00 H new ATOM 0 HD2 PHE A 79 18.978 -3.124 0.746 1.00 25.00 H new ATOM 0 HE1 PHE A 79 16.496 -4.798 4.722 1.00 25.00 H new ATOM 0 HE2 PHE A 79 16.918 -4.491 0.439 1.00 25.00 H new ATOM 0 HZ PHE A 79 15.667 -5.324 2.430 1.00 25.00 H new ATOM 1263 N SER A 80 21.525 0.439 4.440 1.00 25.00 N ATOM 1264 CA SER A 80 22.824 1.042 4.658 1.00 25.00 C ATOM 1265 C SER A 80 23.155 0.800 6.111 1.00 25.00 C ATOM 1266 O SER A 80 22.258 0.631 6.938 1.00 25.00 O ATOM 1267 CB SER A 80 22.816 2.545 4.373 1.00 25.00 C ATOM 1268 OG SER A 80 24.094 3.090 4.666 1.00 25.00 O ATOM 0 H SER A 80 20.906 0.481 5.249 1.00 25.00 H new ATOM 0 HA SER A 80 23.560 0.604 3.984 1.00 25.00 H new ATOM 0 HB2 SER A 80 22.562 2.726 3.329 1.00 25.00 H new ATOM 0 HB3 SER A 80 22.053 3.036 4.976 1.00 25.00 H new ATOM 0 HG SER A 80 24.166 3.984 4.272 1.00 25.00 H new ATOM 1274 N ALA A 81 24.441 0.777 6.402 1.00 25.00 N ATOM 1275 CA ALA A 81 24.948 0.629 7.763 1.00 25.00 C ATOM 1276 C ALA A 81 25.854 1.810 8.129 1.00 25.00 C ATOM 1277 O ALA A 81 26.638 1.737 9.071 1.00 25.00 O ATOM 1278 CB ALA A 81 25.701 -0.704 7.896 1.00 25.00 C ATOM 0 H ALA A 81 25.174 0.861 5.698 1.00 25.00 H new ATOM 0 HA ALA A 81 24.108 0.624 8.458 1.00 25.00 H new ATOM 0 HB1 ALA A 81 26.077 -0.809 8.914 1.00 25.00 H new ATOM 0 HB2 ALA A 81 25.024 -1.528 7.672 1.00 25.00 H new ATOM 0 HB3 ALA A 81 26.537 -0.721 7.197 1.00 25.00 H new ATOM 1284 N ASP A 82 25.723 2.887 7.371 1.00 25.00 N ATOM 1285 CA ASP A 82 26.512 4.107 7.566 1.00 25.00 C ATOM 1286 C ASP A 82 25.543 5.236 7.949 1.00 25.00 C ATOM 1287 O ASP A 82 24.362 5.191 7.577 1.00 25.00 O ATOM 1288 CB ASP A 82 27.254 4.463 6.267 1.00 25.00 C ATOM 1289 CG ASP A 82 28.559 5.209 6.522 1.00 25.00 C ATOM 1290 OD1 ASP A 82 29.434 4.635 7.208 1.00 25.00 O ATOM 1291 OD2 ASP A 82 28.702 6.377 6.080 1.00 25.00 O ATOM 0 H ASP A 82 25.063 2.946 6.596 1.00 25.00 H new ATOM 0 HA ASP A 82 27.253 3.962 8.352 1.00 25.00 H new ATOM 0 HB2 ASP A 82 27.465 3.549 5.711 1.00 25.00 H new ATOM 0 HB3 ASP A 82 26.607 5.075 5.639 1.00 25.00 H new ATOM 1296 N PRO A 83 25.994 6.234 8.735 1.00 25.00 N ATOM 1297 CA PRO A 83 25.044 7.293 9.092 1.00 25.00 C ATOM 1298 C PRO A 83 24.737 8.256 7.938 1.00 25.00 C ATOM 1299 O PRO A 83 25.503 8.392 6.995 1.00 25.00 O ATOM 1300 CB PRO A 83 25.763 8.017 10.229 1.00 25.00 C ATOM 1301 CG PRO A 83 27.189 7.880 9.883 1.00 25.00 C ATOM 1302 CD PRO A 83 27.311 6.474 9.353 1.00 25.00 C ATOM 0 HA PRO A 83 24.067 6.889 9.359 1.00 25.00 H new ATOM 0 HB2 PRO A 83 25.464 9.064 10.290 1.00 25.00 H new ATOM 0 HB3 PRO A 83 25.540 7.565 11.196 1.00 25.00 H new ATOM 0 HG2 PRO A 83 27.489 8.614 9.135 1.00 25.00 H new ATOM 0 HG3 PRO A 83 27.826 8.033 10.754 1.00 25.00 H new ATOM 0 HD2 PRO A 83 28.119 6.386 8.627 1.00 25.00 H new ATOM 0 HD3 PRO A 83 27.519 5.760 10.150 1.00 25.00 H new ATOM 1310 N PHE A 84 23.628 8.967 8.069 1.00 25.00 N ATOM 1311 CA PHE A 84 23.163 9.910 7.056 1.00 25.00 C ATOM 1312 C PHE A 84 23.364 11.315 7.605 1.00 25.00 C ATOM 1313 O PHE A 84 22.592 12.224 7.329 1.00 25.00 O ATOM 1314 CB PHE A 84 21.695 9.639 6.708 1.00 25.00 C ATOM 1315 CG PHE A 84 21.484 8.349 5.953 1.00 25.00 C ATOM 1316 CD1 PHE A 84 21.284 7.133 6.634 1.00 25.00 C ATOM 1317 CD2 PHE A 84 21.497 8.347 4.548 1.00 25.00 C ATOM 1318 CE1 PHE A 84 21.102 5.922 5.918 1.00 25.00 C ATOM 1319 CE2 PHE A 84 21.320 7.146 3.822 1.00 25.00 C ATOM 1320 CZ PHE A 84 21.121 5.931 4.509 1.00 25.00 C ATOM 0 H PHE A 84 23.019 8.908 8.885 1.00 25.00 H new ATOM 0 HA PHE A 84 23.729 9.798 6.132 1.00 25.00 H new ATOM 0 HB2 PHE A 84 21.111 9.612 7.628 1.00 25.00 H new ATOM 0 HB3 PHE A 84 21.312 10.467 6.111 1.00 25.00 H new ATOM 0 HD1 PHE A 84 21.269 7.122 7.714 1.00 25.00 H new ATOM 0 HD2 PHE A 84 21.644 9.275 4.015 1.00 25.00 H new ATOM 0 HE1 PHE A 84 20.949 4.995 6.451 1.00 25.00 H new ATOM 0 HE2 PHE A 84 21.337 7.160 2.742 1.00 25.00 H new ATOM 0 HZ PHE A 84 20.984 5.012 3.958 1.00 25.00 H new ATOM 1330 N ASP A 85 24.440 11.431 8.376 1.00 25.00 N ATOM 1331 CA ASP A 85 24.954 12.679 8.932 1.00 25.00 C ATOM 1332 C ASP A 85 24.116 13.423 9.980 1.00 25.00 C ATOM 1333 O ASP A 85 23.050 13.980 9.719 1.00 25.00 O ATOM 1334 CB ASP A 85 25.336 13.618 7.805 1.00 25.00 C ATOM 1335 CG ASP A 85 26.214 14.750 8.287 1.00 25.00 C ATOM 1336 OD1 ASP A 85 26.738 14.635 9.419 1.00 25.00 O ATOM 1337 OD2 ASP A 85 26.334 15.768 7.587 1.00 25.00 O ATOM 0 H ASP A 85 25.003 10.623 8.642 1.00 25.00 H new ATOM 0 HA ASP A 85 25.812 12.348 9.518 1.00 25.00 H new ATOM 0 HB2 ASP A 85 25.858 13.059 7.028 1.00 25.00 H new ATOM 0 HB3 ASP A 85 24.433 14.027 7.351 1.00 25.00 H new ATOM 1342 N LEU A 86 24.669 13.449 11.183 1.00 25.00 N ATOM 1343 CA LEU A 86 24.095 14.175 12.311 1.00 25.00 C ATOM 1344 C LEU A 86 24.307 15.686 12.211 1.00 25.00 C ATOM 1345 O LEU A 86 23.606 16.457 12.852 1.00 25.00 O ATOM 1346 CB LEU A 86 24.724 13.655 13.604 1.00 25.00 C ATOM 1347 CG LEU A 86 26.260 13.711 13.724 1.00 25.00 C ATOM 1348 CD1 LEU A 86 26.704 14.916 14.551 1.00 25.00 C ATOM 1349 CD2 LEU A 86 26.772 12.428 14.381 1.00 25.00 C ATOM 0 H LEU A 86 25.537 12.963 11.408 1.00 25.00 H new ATOM 0 HA LEU A 86 23.019 14.003 12.303 1.00 25.00 H new ATOM 0 HB2 LEU A 86 24.301 14.221 14.434 1.00 25.00 H new ATOM 0 HB3 LEU A 86 24.414 12.618 13.735 1.00 25.00 H new ATOM 0 HG LEU A 86 26.676 13.808 12.721 1.00 25.00 H new ATOM 0 HD11 LEU A 86 27.792 14.930 14.619 1.00 25.00 H new ATOM 0 HD12 LEU A 86 26.359 15.833 14.073 1.00 25.00 H new ATOM 0 HD13 LEU A 86 26.279 14.847 15.552 1.00 25.00 H new ATOM 0 HD21 LEU A 86 27.858 12.470 14.465 1.00 25.00 H new ATOM 0 HD22 LEU A 86 26.335 12.329 15.375 1.00 25.00 H new ATOM 0 HD23 LEU A 86 26.488 11.569 13.773 1.00 25.00 H new ATOM 1361 N GLU A 87 25.295 16.103 11.441 1.00 25.00 N ATOM 1362 CA GLU A 87 25.597 17.529 11.273 1.00 25.00 C ATOM 1363 C GLU A 87 24.657 18.169 10.251 1.00 25.00 C ATOM 1364 O GLU A 87 24.430 19.377 10.263 1.00 25.00 O ATOM 1365 CB GLU A 87 27.054 17.719 10.842 1.00 25.00 C ATOM 1366 CG GLU A 87 28.049 17.277 11.917 1.00 25.00 C ATOM 1367 CD GLU A 87 29.499 17.568 11.551 1.00 25.00 C ATOM 1368 OE1 GLU A 87 29.813 18.727 11.201 1.00 25.00 O ATOM 1369 OE2 GLU A 87 30.343 16.651 11.697 1.00 25.00 O ATOM 0 H GLU A 87 25.909 15.479 10.917 1.00 25.00 H new ATOM 0 HA GLU A 87 25.447 18.022 12.233 1.00 25.00 H new ATOM 0 HB2 GLU A 87 27.236 17.152 9.929 1.00 25.00 H new ATOM 0 HB3 GLU A 87 27.225 18.769 10.604 1.00 25.00 H new ATOM 0 HG2 GLU A 87 27.810 17.781 12.853 1.00 25.00 H new ATOM 0 HG3 GLU A 87 27.933 16.207 12.092 1.00 25.00 H new ATOM 1376 N ALA A 88 24.073 17.334 9.403 1.00 25.00 N ATOM 1377 CA ALA A 88 23.128 17.767 8.368 1.00 25.00 C ATOM 1378 C ALA A 88 21.719 18.087 8.916 1.00 25.00 C ATOM 1379 O ALA A 88 20.719 17.937 8.203 1.00 25.00 O ATOM 1380 CB ALA A 88 23.034 16.669 7.284 1.00 25.00 C ATOM 0 H ALA A 88 24.239 16.328 9.409 1.00 25.00 H new ATOM 0 HA ALA A 88 23.511 18.698 7.950 1.00 25.00 H new ATOM 0 HB1 ALA A 88 22.334 16.981 6.509 1.00 25.00 H new ATOM 0 HB2 ALA A 88 24.017 16.510 6.841 1.00 25.00 H new ATOM 0 HB3 ALA A 88 22.685 15.741 7.736 1.00 25.00 H new ATOM 1386 N GLN A 89 21.629 18.495 10.172 1.00 25.00 N ATOM 1387 CA GLN A 89 20.341 18.800 10.795 1.00 25.00 C ATOM 1388 C GLN A 89 20.074 20.302 10.800 1.00 25.00 C ATOM 1389 O GLN A 89 20.940 21.107 11.136 1.00 25.00 O ATOM 1390 CB GLN A 89 20.301 18.262 12.226 1.00 25.00 C ATOM 1391 CG GLN A 89 20.439 16.740 12.303 1.00 25.00 C ATOM 1392 CD GLN A 89 19.354 16.014 11.544 1.00 25.00 C ATOM 1393 OE1 GLN A 89 18.169 16.228 11.766 1.00 25.00 O ATOM 1394 NE2 GLN A 89 19.751 15.149 10.645 1.00 25.00 N ATOM 0 H GLN A 89 22.433 18.624 10.786 1.00 25.00 H new ATOM 0 HA GLN A 89 19.563 18.314 10.207 1.00 25.00 H new ATOM 0 HB2 GLN A 89 21.103 18.722 12.803 1.00 25.00 H new ATOM 0 HB3 GLN A 89 19.362 18.559 12.693 1.00 25.00 H new ATOM 0 HG2 GLN A 89 21.411 16.448 11.906 1.00 25.00 H new ATOM 0 HG3 GLN A 89 20.415 16.430 13.348 1.00 25.00 H new ATOM 0 HE21 GLN A 89 20.747 14.998 10.488 1.00 25.00 H new ATOM 0 HE22 GLN A 89 19.064 14.627 10.102 1.00 25.00 H new ATOM 1403 N ALA A 90 18.860 20.666 10.415 1.00 25.00 N ATOM 1404 CA ALA A 90 18.452 22.065 10.369 1.00 25.00 C ATOM 1405 C ALA A 90 18.018 22.556 11.755 1.00 25.00 C ATOM 1406 O ALA A 90 17.491 21.792 12.564 1.00 25.00 O ATOM 1407 CB ALA A 90 17.297 22.233 9.367 1.00 25.00 C ATOM 0 H ALA A 90 18.135 20.008 10.128 1.00 25.00 H new ATOM 0 HA ALA A 90 19.304 22.664 10.048 1.00 25.00 H new ATOM 0 HB1 ALA A 90 16.993 23.279 9.334 1.00 25.00 H new ATOM 0 HB2 ALA A 90 17.626 21.919 8.376 1.00 25.00 H new ATOM 0 HB3 ALA A 90 16.452 21.620 9.680 1.00 25.00 H new ATOM 1413 N LYS A 91 18.181 23.849 11.983 1.00 25.00 N ATOM 1414 CA LYS A 91 17.729 24.513 13.208 1.00 25.00 C ATOM 1415 C LYS A 91 16.694 25.551 12.789 1.00 25.00 C ATOM 1416 O LYS A 91 16.514 25.781 11.598 1.00 25.00 O ATOM 1417 CB LYS A 91 18.918 25.187 13.901 1.00 25.00 C ATOM 1418 CG LYS A 91 19.486 26.341 13.090 1.00 25.00 C ATOM 1419 CD LYS A 91 20.759 26.902 13.646 1.00 25.00 C ATOM 1420 CE LYS A 91 21.967 26.083 13.260 1.00 25.00 C ATOM 1421 NZ LYS A 91 23.182 26.821 13.712 1.00 25.00 N ATOM 0 H LYS A 91 18.634 24.478 11.321 1.00 25.00 H new ATOM 0 HA LYS A 91 17.296 23.801 13.911 1.00 25.00 H new ATOM 0 HB2 LYS A 91 18.605 25.554 14.879 1.00 25.00 H new ATOM 0 HB3 LYS A 91 19.701 24.448 14.073 1.00 25.00 H new ATOM 0 HG2 LYS A 91 19.664 26.002 12.069 1.00 25.00 H new ATOM 0 HG3 LYS A 91 18.742 27.136 13.037 1.00 25.00 H new ATOM 0 HD2 LYS A 91 20.888 27.924 13.290 1.00 25.00 H new ATOM 0 HD3 LYS A 91 20.688 26.949 14.733 1.00 25.00 H new ATOM 0 HE2 LYS A 91 21.924 25.097 13.724 1.00 25.00 H new ATOM 0 HE3 LYS A 91 21.994 25.927 12.182 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 24.032 26.278 13.458 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 23.215 27.752 13.250 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 23.147 26.948 14.744 1.00 25.00 H new ATOM 1435 N ILE A 92 16.047 26.189 13.755 1.00 25.00 N ATOM 1436 CA ILE A 92 15.076 27.252 13.472 1.00 25.00 C ATOM 1437 C ILE A 92 15.528 28.498 14.234 1.00 25.00 C ATOM 1438 O ILE A 92 15.482 28.528 15.464 1.00 25.00 O ATOM 1439 CB ILE A 92 13.625 26.847 13.896 1.00 25.00 C ATOM 1440 CG1 ILE A 92 13.205 25.536 13.187 1.00 25.00 C ATOM 1441 CG2 ILE A 92 12.628 27.989 13.549 1.00 25.00 C ATOM 1442 CD1 ILE A 92 11.896 24.913 13.718 1.00 25.00 C ATOM 0 H ILE A 92 16.174 25.992 14.748 1.00 25.00 H new ATOM 0 HA ILE A 92 15.042 27.440 12.399 1.00 25.00 H new ATOM 0 HB ILE A 92 13.608 26.681 14.973 1.00 25.00 H new ATOM 0 HG12 ILE A 92 13.092 25.734 12.121 1.00 25.00 H new ATOM 0 HG13 ILE A 92 14.009 24.807 13.292 1.00 25.00 H new ATOM 0 HG21 ILE A 92 11.621 27.697 13.848 1.00 25.00 H new ATOM 0 HG22 ILE A 92 12.915 28.897 14.080 1.00 25.00 H new ATOM 0 HG23 ILE A 92 12.648 28.175 12.475 1.00 25.00 H new ATOM 0 HD11 ILE A 92 11.678 23.999 13.165 1.00 25.00 H new ATOM 0 HD12 ILE A 92 12.008 24.679 14.777 1.00 25.00 H new ATOM 0 HD13 ILE A 92 11.077 25.620 13.587 1.00 25.00 H new ATOM 1454 N GLU A 93 16.036 29.483 13.505 1.00 25.00 N ATOM 1455 CA GLU A 93 16.590 30.703 14.074 1.00 25.00 C ATOM 1456 C GLU A 93 16.263 31.923 13.215 1.00 25.00 C ATOM 1457 O GLU A 93 16.706 32.010 12.071 1.00 25.00 O ATOM 1458 CB GLU A 93 18.116 30.603 14.115 1.00 25.00 C ATOM 1459 CG GLU A 93 18.651 29.618 15.123 1.00 25.00 C ATOM 1460 CD GLU A 93 20.177 29.692 15.268 1.00 25.00 C ATOM 1461 OE1 GLU A 93 20.849 30.291 14.391 1.00 25.00 O ATOM 1462 OE2 GLU A 93 20.715 29.072 16.215 1.00 25.00 O ATOM 0 H GLU A 93 16.075 29.456 12.486 1.00 25.00 H new ATOM 0 HA GLU A 93 16.158 30.815 15.068 1.00 25.00 H new ATOM 0 HB2 GLU A 93 18.476 30.322 13.125 1.00 25.00 H new ATOM 0 HB3 GLU A 93 18.526 31.588 14.336 1.00 25.00 H new ATOM 0 HG2 GLU A 93 18.188 29.807 16.092 1.00 25.00 H new ATOM 0 HG3 GLU A 93 18.367 28.609 14.826 1.00 25.00 H new ATOM 1469 N GLU A 94 15.603 32.920 13.790 1.00 25.00 N ATOM 1470 CA GLU A 94 15.465 34.204 13.106 1.00 25.00 C ATOM 1471 C GLU A 94 16.367 35.227 13.771 1.00 25.00 C ATOM 1472 O GLU A 94 16.199 35.566 14.941 1.00 25.00 O ATOM 1473 CB GLU A 94 14.044 34.746 13.123 1.00 25.00 C ATOM 1474 CG GLU A 94 13.062 33.988 12.243 1.00 25.00 C ATOM 1475 CD GLU A 94 11.763 34.763 12.051 1.00 25.00 C ATOM 1476 OE1 GLU A 94 11.816 35.882 11.488 1.00 25.00 O ATOM 1477 OE2 GLU A 94 10.695 34.267 12.473 1.00 25.00 O ATOM 0 H GLU A 94 15.162 32.870 14.709 1.00 25.00 H new ATOM 0 HA GLU A 94 15.743 34.032 12.066 1.00 25.00 H new ATOM 0 HB2 GLU A 94 13.677 34.731 14.149 1.00 25.00 H new ATOM 0 HB3 GLU A 94 14.064 35.789 12.806 1.00 25.00 H new ATOM 0 HG2 GLU A 94 13.518 33.795 11.272 1.00 25.00 H new ATOM 0 HG3 GLU A 94 12.845 33.019 12.691 1.00 25.00 H new ATOM 1484 N ASP A 95 17.317 35.726 13.004 1.00 25.00 N ATOM 1485 CA ASP A 95 18.245 36.755 13.479 1.00 25.00 C ATOM 1486 C ASP A 95 18.669 37.652 12.324 1.00 25.00 C ATOM 1487 O ASP A 95 19.816 37.653 11.885 1.00 25.00 O ATOM 1488 CB ASP A 95 19.480 36.149 14.144 1.00 25.00 C ATOM 1489 CG ASP A 95 20.364 37.212 14.785 1.00 25.00 C ATOM 1490 OD1 ASP A 95 21.582 36.965 14.932 1.00 25.00 O ATOM 1491 OD2 ASP A 95 19.842 38.312 15.116 1.00 25.00 O ATOM 0 H ASP A 95 17.474 35.437 12.038 1.00 25.00 H new ATOM 0 HA ASP A 95 17.720 37.346 14.229 1.00 25.00 H new ATOM 0 HB2 ASP A 95 19.168 35.432 14.903 1.00 25.00 H new ATOM 0 HB3 ASP A 95 20.057 35.597 13.402 1.00 25.00 H new ATOM 1496 N ILE A 96 17.702 38.395 11.811 1.00 25.00 N ATOM 1497 CA ILE A 96 17.938 39.346 10.720 1.00 25.00 C ATOM 1498 C ILE A 96 17.574 40.735 11.219 1.00 25.00 C ATOM 1499 O ILE A 96 17.430 41.696 10.462 1.00 25.00 O ATOM 1500 CB ILE A 96 17.123 38.968 9.447 1.00 25.00 C ATOM 1501 CG1 ILE A 96 15.612 38.920 9.764 1.00 25.00 C ATOM 1502 CG2 ILE A 96 17.611 37.599 8.896 1.00 25.00 C ATOM 1503 CD1 ILE A 96 14.711 38.796 8.527 1.00 25.00 C ATOM 0 H ILE A 96 16.734 38.362 12.132 1.00 25.00 H new ATOM 0 HA ILE A 96 18.988 39.320 10.430 1.00 25.00 H new ATOM 0 HB ILE A 96 17.284 39.731 8.686 1.00 25.00 H new ATOM 0 HG12 ILE A 96 15.418 38.076 10.426 1.00 25.00 H new ATOM 0 HG13 ILE A 96 15.338 39.823 10.310 1.00 25.00 H new ATOM 0 HG21 ILE A 96 17.038 37.340 8.006 1.00 25.00 H new ATOM 0 HG22 ILE A 96 18.668 37.666 8.640 1.00 25.00 H new ATOM 0 HG23 ILE A 96 17.470 36.830 9.655 1.00 25.00 H new ATOM 0 HD11 ILE A 96 13.667 38.769 8.839 1.00 25.00 H new ATOM 0 HD12 ILE A 96 14.872 39.652 7.872 1.00 25.00 H new ATOM 0 HD13 ILE A 96 14.953 37.878 7.991 1.00 25.00 H new ATOM 1515 N ARG A 97 17.447 40.824 12.534 1.00 25.00 N ATOM 1516 CA ARG A 97 17.026 42.053 13.222 1.00 25.00 C ATOM 1517 C ARG A 97 18.192 43.021 13.469 1.00 25.00 C ATOM 1518 O ARG A 97 18.362 43.568 14.565 1.00 25.00 O ATOM 1519 CB ARG A 97 16.362 41.669 14.552 1.00 25.00 C ATOM 1520 CG ARG A 97 17.232 40.763 15.453 1.00 25.00 C ATOM 1521 CD ARG A 97 17.020 41.084 16.919 1.00 25.00 C ATOM 1522 NE ARG A 97 17.497 42.445 17.222 1.00 25.00 N ATOM 1523 CZ ARG A 97 17.361 43.069 18.384 1.00 25.00 C ATOM 1524 NH1 ARG A 97 16.774 42.509 19.414 1.00 25.00 N ATOM 1525 NH2 ARG A 97 17.823 44.281 18.504 1.00 25.00 N ATOM 0 H ARG A 97 17.632 40.045 13.166 1.00 25.00 H new ATOM 0 HA ARG A 97 16.320 42.578 12.578 1.00 25.00 H new ATOM 0 HB2 ARG A 97 16.116 42.579 15.099 1.00 25.00 H new ATOM 0 HB3 ARG A 97 15.422 41.159 14.342 1.00 25.00 H new ATOM 0 HG2 ARG A 97 16.986 39.717 15.268 1.00 25.00 H new ATOM 0 HG3 ARG A 97 18.284 40.893 15.198 1.00 25.00 H new ATOM 0 HD2 ARG A 97 15.962 40.999 17.167 1.00 25.00 H new ATOM 0 HD3 ARG A 97 17.551 40.360 17.537 1.00 25.00 H new ATOM 0 HE ARG A 97 17.972 42.950 16.474 1.00 25.00 H new ATOM 0 HH11 ARG A 97 16.403 41.562 19.337 1.00 25.00 H new ATOM 0 HH12 ARG A 97 16.688 43.021 20.292 1.00 25.00 H new ATOM 0 HH21 ARG A 97 18.280 44.733 17.712 1.00 25.00 H new ATOM 0 HH22 ARG A 97 17.728 44.778 19.390 1.00 25.00 H new ATOM 1539 N GLN A 98 18.985 43.224 12.411 1.00 25.00 N ATOM 1540 CA GLN A 98 20.189 44.073 12.390 1.00 25.00 C ATOM 1541 C GLN A 98 21.148 43.746 13.550 1.00 25.00 C ATOM 1542 O GLN A 98 21.386 44.448 14.511 1.00 25.00 O ATOM 1543 CB GLN A 98 19.825 45.578 12.268 1.00 25.00 C ATOM 1544 CG GLN A 98 21.040 46.399 11.789 1.00 25.00 C ATOM 1545 CD GLN A 98 20.662 47.843 11.567 1.00 25.00 C ATOM 1546 OE1 GLN A 98 20.345 48.602 12.444 1.00 25.00 O ATOM 1547 NE2 GLN A 98 20.684 48.258 10.309 1.00 25.00 N ATOM 1548 OXT GLN A 98 21.711 42.591 13.410 1.00 25.00 O ATOM 0 H GLN A 98 18.801 42.786 11.509 1.00 25.00 H new ATOM 0 HA GLN A 98 20.751 43.836 11.487 1.00 25.00 H new ATOM 0 HB2 GLN A 98 18.999 45.701 11.568 1.00 25.00 H new ATOM 0 HB3 GLN A 98 19.484 45.954 13.233 1.00 25.00 H new ATOM 0 HG2 GLN A 98 21.839 46.338 12.528 1.00 25.00 H new ATOM 0 HG3 GLN A 98 21.428 45.974 10.863 1.00 25.00 H new ATOM 0 HE21 GLN A 98 20.953 47.615 9.564 1.00 25.00 H new ATOM 0 HE22 GLN A 98 20.432 49.221 10.085 1.00 25.00 H new TER 1558 GLN A 98