USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 785 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 100 THR OG1 : rot 90:sc= 0.611 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.503 X(o=1.1,f=0.94) USER MOD Set 2.1: A 90 ASN : amide:sc= 0.536 K(o=1.5,f=-4!) USER MOD Set 2.2: A 103 SER OG : rot 137:sc= 0.966 USER MOD Set 3.1: A 63 LYS NZ :NH3+ -168:sc= 1.54 (180deg=0.703) USER MOD Set 3.2: A 67 SER OG : rot 85:sc= 0.664 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0.666 USER MOD Set 4.2: A 31 GLN : amide:sc= 1.64 K(o=3.3,f=-1.9) USER MOD Set 4.3: A 53 LYS NZ :NH3+ 177:sc= 1.03 (180deg=0) USER MOD Set 5.1: A 25 THR OG1 : rot -74:sc= 1.98 USER MOD Set 5.2: A 27 SER OG : rot -105:sc= 1.22 USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.0388 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 128:sc= 1.3 USER MOD Single : A 10 ASN : amide:sc= 0.452 K(o=0.45,f=-5.9!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0101 K(o=-0.01,f=-0.79) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 82:sc= 0.652 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00407 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 1.1 (180deg=0.701) USER MOD Single : A 79 MET CE :methyl -176:sc= 0 (180deg=-0.0153) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -89:sc= 1.24 USER MOD Single : A 86 GLN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 87 GLN : amide:sc= 1.23 K(o=1.2,f=-7.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.158 -17.877 -6.175 1.00 0.00 N ATOM 2 CA SER A 1 16.138 -16.387 -6.206 1.00 0.00 C ATOM 3 C SER A 1 15.503 -15.846 -7.490 1.00 0.00 C ATOM 4 O SER A 1 15.503 -16.521 -8.521 1.00 0.00 O ATOM 5 CB SER A 1 17.549 -15.807 -6.023 1.00 0.00 C ATOM 6 OG SER A 1 18.115 -16.307 -4.818 1.00 0.00 O ATOM 0 H1 SER A 1 15.497 -18.218 -5.448 1.00 0.00 H new ATOM 0 H2 SER A 1 15.872 -18.247 -7.104 1.00 0.00 H new ATOM 0 H3 SER A 1 17.119 -18.207 -5.952 1.00 0.00 H new ATOM 0 HA SER A 1 15.519 -16.065 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.177 -16.077 -6.872 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.505 -14.718 -5.992 1.00 0.00 H new ATOM 0 HG SER A 1 19.016 -15.938 -4.702 1.00 0.00 H new ATOM 14 N VAL A 2 14.959 -14.620 -7.446 1.00 0.00 N ATOM 15 CA VAL A 2 14.331 -13.920 -8.591 1.00 0.00 C ATOM 16 C VAL A 2 14.595 -12.405 -8.526 1.00 0.00 C ATOM 17 O VAL A 2 14.765 -11.844 -7.440 1.00 0.00 O ATOM 18 CB VAL A 2 12.822 -14.262 -8.661 1.00 0.00 C ATOM 19 CG1 VAL A 2 12.005 -13.687 -7.498 1.00 0.00 C ATOM 20 CG2 VAL A 2 12.172 -13.828 -9.981 1.00 0.00 C ATOM 0 H VAL A 2 14.940 -14.067 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 2 14.787 -14.270 -9.517 1.00 0.00 H new ATOM 0 HB VAL A 2 12.800 -15.350 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.958 -13.968 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.384 -14.084 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.091 -12.600 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.115 -14.094 -9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.273 -12.749 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.665 -14.332 -10.812 1.00 0.00 H new ATOM 30 N SER A 3 14.639 -11.733 -9.683 1.00 0.00 N ATOM 31 CA SER A 3 14.794 -10.270 -9.776 1.00 0.00 C ATOM 32 C SER A 3 13.553 -9.517 -9.261 1.00 0.00 C ATOM 33 O SER A 3 12.438 -10.051 -9.257 1.00 0.00 O ATOM 34 CB SER A 3 15.124 -9.871 -11.217 1.00 0.00 C ATOM 35 OG SER A 3 15.605 -8.536 -11.251 1.00 0.00 O ATOM 0 H SER A 3 14.568 -12.191 -10.592 1.00 0.00 H new ATOM 0 HA SER A 3 15.622 -9.981 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.873 -10.547 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.235 -9.962 -11.841 1.00 0.00 H new ATOM 0 HG SER A 3 15.816 -8.288 -12.175 1.00 0.00 H new ATOM 41 N ILE A 4 13.740 -8.271 -8.816 1.00 0.00 N ATOM 42 CA ILE A 4 12.675 -7.419 -8.258 1.00 0.00 C ATOM 43 C ILE A 4 11.646 -6.990 -9.319 1.00 0.00 C ATOM 44 O ILE A 4 11.988 -6.744 -10.479 1.00 0.00 O ATOM 45 CB ILE A 4 13.236 -6.209 -7.468 1.00 0.00 C ATOM 46 CG1 ILE A 4 13.923 -5.102 -8.303 1.00 0.00 C ATOM 47 CG2 ILE A 4 14.139 -6.683 -6.314 1.00 0.00 C ATOM 48 CD1 ILE A 4 15.172 -5.496 -9.105 1.00 0.00 C ATOM 0 H ILE A 4 14.652 -7.814 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 4 12.139 -8.039 -7.539 1.00 0.00 H new ATOM 0 HB ILE A 4 12.350 -5.714 -7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.188 -4.700 -9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.198 -4.292 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.522 -5.818 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.562 -7.310 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.973 -7.257 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.549 -4.626 -9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.940 -5.864 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 4 14.914 -6.279 -9.819 1.00 0.00 H new ATOM 60 N LEU A 5 10.374 -6.888 -8.906 1.00 0.00 N ATOM 61 CA LEU A 5 9.231 -6.624 -9.799 1.00 0.00 C ATOM 62 C LEU A 5 8.699 -5.175 -9.730 1.00 0.00 C ATOM 63 O LEU A 5 7.799 -4.816 -10.494 1.00 0.00 O ATOM 64 CB LEU A 5 8.121 -7.659 -9.511 1.00 0.00 C ATOM 65 CG LEU A 5 8.536 -9.138 -9.674 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.343 -10.040 -9.354 1.00 0.00 C ATOM 67 CD2 LEU A 5 9.021 -9.468 -11.088 1.00 0.00 C ATOM 0 H LEU A 5 10.104 -6.988 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 5 9.584 -6.733 -10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.764 -7.510 -8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.280 -7.460 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 5 9.363 -9.310 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.635 -11.084 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.019 -9.865 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.524 -9.815 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.298 -10.521 -11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.223 -9.267 -11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.887 -8.852 -11.329 1.00 0.00 H new ATOM 79 N ARG A 6 9.241 -4.343 -8.827 1.00 0.00 N ATOM 80 CA ARG A 6 8.848 -2.938 -8.586 1.00 0.00 C ATOM 81 C ARG A 6 10.071 -2.009 -8.501 1.00 0.00 C ATOM 82 O ARG A 6 11.166 -2.448 -8.144 1.00 0.00 O ATOM 83 CB ARG A 6 8.024 -2.838 -7.282 1.00 0.00 C ATOM 84 CG ARG A 6 6.703 -3.629 -7.262 1.00 0.00 C ATOM 85 CD ARG A 6 5.651 -3.144 -8.270 1.00 0.00 C ATOM 86 NE ARG A 6 5.211 -1.756 -8.011 1.00 0.00 N ATOM 87 CZ ARG A 6 4.284 -1.348 -7.159 1.00 0.00 C ATOM 88 NH1 ARG A 6 3.651 -2.171 -6.372 1.00 0.00 N ATOM 89 NH2 ARG A 6 3.980 -0.086 -7.077 1.00 0.00 N ATOM 0 H ARG A 6 10.000 -4.641 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 6 8.241 -2.614 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.645 -3.183 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.800 -1.788 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.920 -4.678 -7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.278 -3.576 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.062 -3.209 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.787 -3.807 -8.235 1.00 0.00 H new ATOM 0 HE ARG A 6 5.677 -1.028 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.864 -3.168 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.943 -1.818 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.457 0.593 -7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.265 0.225 -6.419 1.00 0.00 H new ATOM 103 N SER A 7 9.842 -0.722 -8.776 1.00 0.00 N ATOM 104 CA SER A 7 10.812 0.381 -8.639 1.00 0.00 C ATOM 105 C SER A 7 10.148 1.603 -7.988 1.00 0.00 C ATOM 106 O SER A 7 8.947 1.818 -8.165 1.00 0.00 O ATOM 107 CB SER A 7 11.383 0.787 -10.008 1.00 0.00 C ATOM 108 OG SER A 7 12.064 -0.300 -10.623 1.00 0.00 O ATOM 0 H SER A 7 8.936 -0.400 -9.116 1.00 0.00 H new ATOM 0 HA SER A 7 11.626 0.028 -8.006 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.575 1.127 -10.656 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.068 1.626 -9.885 1.00 0.00 H new ATOM 0 HG SER A 7 12.416 -0.016 -11.492 1.00 0.00 H new ATOM 114 N SER A 8 10.915 2.400 -7.235 1.00 0.00 N ATOM 115 CA SER A 8 10.415 3.531 -6.423 1.00 0.00 C ATOM 116 C SER A 8 9.232 3.133 -5.515 1.00 0.00 C ATOM 117 O SER A 8 8.270 3.888 -5.349 1.00 0.00 O ATOM 118 CB SER A 8 10.087 4.736 -7.323 1.00 0.00 C ATOM 119 OG SER A 8 11.206 5.115 -8.099 1.00 0.00 O ATOM 0 H SER A 8 11.926 2.279 -7.167 1.00 0.00 H new ATOM 0 HA SER A 8 11.214 3.829 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.254 4.486 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.767 5.576 -6.707 1.00 0.00 H new ATOM 0 HG SER A 8 10.948 5.163 -9.043 1.00 0.00 H new ATOM 125 N VAL A 9 9.279 1.923 -4.941 1.00 0.00 N ATOM 126 CA VAL A 9 8.135 1.279 -4.264 1.00 0.00 C ATOM 127 C VAL A 9 7.734 1.926 -2.928 1.00 0.00 C ATOM 128 O VAL A 9 6.555 1.898 -2.567 1.00 0.00 O ATOM 129 CB VAL A 9 8.402 -0.239 -4.123 1.00 0.00 C ATOM 130 CG1 VAL A 9 9.327 -0.601 -2.951 1.00 0.00 C ATOM 131 CG2 VAL A 9 7.102 -1.039 -3.988 1.00 0.00 C ATOM 0 H VAL A 9 10.124 1.352 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 9 7.264 1.436 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 9 8.912 -0.510 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.466 -1.682 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.293 -0.115 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.879 -0.264 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.336 -2.099 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.559 -0.705 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.485 -0.883 -4.873 1.00 0.00 H new ATOM 141 N ASN A 10 8.687 2.528 -2.203 1.00 0.00 N ATOM 142 CA ASN A 10 8.462 3.208 -0.922 1.00 0.00 C ATOM 143 C ASN A 10 9.448 4.373 -0.710 1.00 0.00 C ATOM 144 O ASN A 10 10.383 4.574 -1.489 1.00 0.00 O ATOM 145 CB ASN A 10 8.493 2.157 0.218 1.00 0.00 C ATOM 146 CG ASN A 10 9.840 1.498 0.478 1.00 0.00 C ATOM 147 OD1 ASN A 10 10.893 1.989 0.112 1.00 0.00 O ATOM 148 ND2 ASN A 10 9.855 0.373 1.155 1.00 0.00 N ATOM 0 H ASN A 10 9.662 2.556 -2.501 1.00 0.00 H new ATOM 0 HA ASN A 10 7.477 3.674 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.162 2.638 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.767 1.377 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.743 -0.081 1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.979 -0.047 1.466 1.00 0.00 H new ATOM 155 N HIS A 11 9.261 5.141 0.369 1.00 0.00 N ATOM 156 CA HIS A 11 10.113 6.296 0.693 1.00 0.00 C ATOM 157 C HIS A 11 11.570 5.911 0.976 1.00 0.00 C ATOM 158 O HIS A 11 12.458 6.666 0.595 1.00 0.00 O ATOM 159 CB HIS A 11 9.510 7.071 1.878 1.00 0.00 C ATOM 160 CG HIS A 11 9.421 6.264 3.148 1.00 0.00 C ATOM 161 ND1 HIS A 11 8.449 5.299 3.423 1.00 0.00 N ATOM 162 CD2 HIS A 11 10.313 6.299 4.181 1.00 0.00 C ATOM 163 CE1 HIS A 11 8.766 4.790 4.627 1.00 0.00 C ATOM 164 NE2 HIS A 11 9.880 5.369 5.103 1.00 0.00 N ATOM 0 H HIS A 11 8.514 4.981 1.045 1.00 0.00 H new ATOM 0 HA HIS A 11 10.138 6.936 -0.189 1.00 0.00 H new ATOM 0 HB2 HIS A 11 10.113 7.959 2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.512 7.415 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 11 11.186 6.930 4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 11 8.203 4.023 5.139 1.00 0.00 H new ATOM 0 HE2 HIS A 11 10.329 5.157 5.994 1.00 0.00 H new ATOM 172 N ARG A 12 11.837 4.738 1.564 1.00 0.00 N ATOM 173 CA ARG A 12 13.207 4.265 1.854 1.00 0.00 C ATOM 174 C ARG A 12 13.998 3.975 0.573 1.00 0.00 C ATOM 175 O ARG A 12 15.160 4.359 0.466 1.00 0.00 O ATOM 176 CB ARG A 12 13.124 3.043 2.787 1.00 0.00 C ATOM 177 CG ARG A 12 14.509 2.584 3.279 1.00 0.00 C ATOM 178 CD ARG A 12 14.423 1.386 4.231 1.00 0.00 C ATOM 179 NE ARG A 12 13.805 1.744 5.524 1.00 0.00 N ATOM 180 CZ ARG A 12 13.461 0.909 6.491 1.00 0.00 C ATOM 181 NH1 ARG A 12 13.634 -0.380 6.389 1.00 0.00 N ATOM 182 NH2 ARG A 12 12.933 1.355 7.593 1.00 0.00 N ATOM 0 H ARG A 12 11.110 4.084 1.855 1.00 0.00 H new ATOM 0 HA ARG A 12 13.761 5.055 2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.499 3.287 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.637 2.221 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.127 2.319 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.005 3.412 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.844 0.591 3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.424 0.990 4.406 1.00 0.00 H new ATOM 0 HE ARG A 12 13.625 2.735 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.046 -0.774 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.357 -0.994 7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.781 2.356 7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.671 0.704 8.333 1.00 0.00 H new ATOM 196 N GLU A 13 13.363 3.359 -0.422 1.00 0.00 N ATOM 197 CA GLU A 13 13.983 3.079 -1.723 1.00 0.00 C ATOM 198 C GLU A 13 14.244 4.368 -2.518 1.00 0.00 C ATOM 199 O GLU A 13 15.313 4.527 -3.112 1.00 0.00 O ATOM 200 CB GLU A 13 13.091 2.094 -2.493 1.00 0.00 C ATOM 201 CG GLU A 13 13.736 1.622 -3.800 1.00 0.00 C ATOM 202 CD GLU A 13 12.940 0.449 -4.403 1.00 0.00 C ATOM 203 OE1 GLU A 13 11.881 0.707 -5.021 1.00 0.00 O ATOM 204 OE2 GLU A 13 13.376 -0.722 -4.262 1.00 0.00 O ATOM 0 H GLU A 13 12.398 3.037 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 13 14.961 2.623 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.880 1.230 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.135 2.569 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.775 2.447 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.765 1.313 -3.614 1.00 0.00 H new ATOM 211 N VAL A 14 13.314 5.335 -2.479 1.00 0.00 N ATOM 212 CA VAL A 14 13.515 6.645 -3.130 1.00 0.00 C ATOM 213 C VAL A 14 14.529 7.516 -2.370 1.00 0.00 C ATOM 214 O VAL A 14 15.307 8.224 -3.001 1.00 0.00 O ATOM 215 CB VAL A 14 12.174 7.369 -3.372 1.00 0.00 C ATOM 216 CG1 VAL A 14 12.372 8.715 -4.076 1.00 0.00 C ATOM 217 CG2 VAL A 14 11.260 6.529 -4.280 1.00 0.00 C ATOM 0 H VAL A 14 12.416 5.238 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 14 13.951 6.458 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 14 11.729 7.520 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.404 9.192 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.001 9.358 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.852 8.554 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.320 7.057 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.751 6.366 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.061 5.568 -3.807 1.00 0.00 H new ATOM 227 N ASP A 15 14.607 7.431 -1.040 1.00 0.00 N ATOM 228 CA ASP A 15 15.656 8.085 -0.244 1.00 0.00 C ATOM 229 C ASP A 15 17.054 7.518 -0.551 1.00 0.00 C ATOM 230 O ASP A 15 18.001 8.283 -0.726 1.00 0.00 O ATOM 231 CB ASP A 15 15.329 7.932 1.249 1.00 0.00 C ATOM 232 CG ASP A 15 16.429 8.544 2.132 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.546 9.791 2.159 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.166 7.789 2.809 1.00 0.00 O ATOM 0 H ASP A 15 13.940 6.903 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 15 15.677 9.141 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.376 8.415 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.213 6.876 1.491 1.00 0.00 H new ATOM 239 N GLU A 16 17.178 6.194 -0.697 1.00 0.00 N ATOM 240 CA GLU A 16 18.408 5.556 -1.180 1.00 0.00 C ATOM 241 C GLU A 16 18.770 6.008 -2.604 1.00 0.00 C ATOM 242 O GLU A 16 19.933 6.319 -2.870 1.00 0.00 O ATOM 243 CB GLU A 16 18.267 4.025 -1.102 1.00 0.00 C ATOM 244 CG GLU A 16 19.484 3.290 -1.679 1.00 0.00 C ATOM 245 CD GLU A 16 19.373 1.772 -1.438 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.786 1.059 -2.284 1.00 0.00 O ATOM 247 OE2 GLU A 16 19.881 1.282 -0.399 1.00 0.00 O ATOM 0 H GLU A 16 16.429 5.535 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 16 19.228 5.870 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.128 3.729 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.372 3.718 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.561 3.488 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.396 3.670 -1.218 1.00 0.00 H new ATOM 254 N ALA A 17 17.795 6.101 -3.514 1.00 0.00 N ATOM 255 CA ALA A 17 18.031 6.597 -4.867 1.00 0.00 C ATOM 256 C ALA A 17 18.490 8.072 -4.871 1.00 0.00 C ATOM 257 O ALA A 17 19.442 8.422 -5.572 1.00 0.00 O ATOM 258 CB ALA A 17 16.764 6.388 -5.705 1.00 0.00 C ATOM 0 H ALA A 17 16.827 5.836 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 17 18.848 6.031 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.932 6.756 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.522 5.326 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.935 6.934 -5.254 1.00 0.00 H new ATOM 264 N ILE A 18 17.867 8.922 -4.044 1.00 0.00 N ATOM 265 CA ILE A 18 18.265 10.326 -3.846 1.00 0.00 C ATOM 266 C ILE A 18 19.688 10.424 -3.280 1.00 0.00 C ATOM 267 O ILE A 18 20.486 11.186 -3.814 1.00 0.00 O ATOM 268 CB ILE A 18 17.210 11.053 -2.970 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.955 11.354 -3.829 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.753 12.349 -2.334 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.720 11.757 -3.014 1.00 0.00 C ATOM 0 H ILE A 18 17.059 8.651 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 18 18.292 10.834 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 18 16.950 10.391 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.191 12.154 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.714 10.472 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.972 12.814 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.607 12.113 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.064 13.037 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.886 11.950 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.455 10.949 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.940 12.658 -2.442 1.00 0.00 H new ATOM 283 N ASP A 19 20.041 9.633 -2.265 1.00 0.00 N ATOM 284 CA ASP A 19 21.396 9.595 -1.701 1.00 0.00 C ATOM 285 C ASP A 19 22.449 9.093 -2.710 1.00 0.00 C ATOM 286 O ASP A 19 23.542 9.657 -2.801 1.00 0.00 O ATOM 287 CB ASP A 19 21.376 8.722 -0.444 1.00 0.00 C ATOM 288 CG ASP A 19 22.786 8.522 0.122 1.00 0.00 C ATOM 289 OD1 ASP A 19 23.294 9.424 0.828 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.393 7.459 -0.154 1.00 0.00 O ATOM 0 H ASP A 19 19.391 8.995 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 19 21.692 10.613 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.741 9.185 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.936 7.753 -0.680 1.00 0.00 H new ATOM 295 N ASN A 20 22.116 8.082 -3.521 1.00 0.00 N ATOM 296 CA ASN A 20 22.987 7.601 -4.592 1.00 0.00 C ATOM 297 C ASN A 20 23.230 8.696 -5.650 1.00 0.00 C ATOM 298 O ASN A 20 24.372 8.933 -6.038 1.00 0.00 O ATOM 299 CB ASN A 20 22.365 6.331 -5.199 1.00 0.00 C ATOM 300 CG ASN A 20 23.276 5.622 -6.195 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.493 5.728 -6.170 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.717 4.840 -7.093 1.00 0.00 N ATOM 0 H ASN A 20 21.233 7.576 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 20 23.968 7.352 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.112 5.640 -4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.432 6.596 -5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.298 4.330 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.702 4.743 -7.124 1.00 0.00 H new ATOM 309 N ILE A 21 22.180 9.424 -6.056 1.00 0.00 N ATOM 310 CA ILE A 21 22.295 10.579 -6.966 1.00 0.00 C ATOM 311 C ILE A 21 23.121 11.709 -6.341 1.00 0.00 C ATOM 312 O ILE A 21 24.014 12.247 -6.994 1.00 0.00 O ATOM 313 CB ILE A 21 20.882 11.051 -7.397 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.303 10.062 -8.433 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.936 12.476 -7.978 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.789 10.212 -8.640 1.00 0.00 C ATOM 0 H ILE A 21 21.222 9.230 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 21 22.835 10.269 -7.861 1.00 0.00 H new ATOM 0 HB ILE A 21 20.233 11.073 -6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.809 10.209 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.519 9.043 -8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.934 12.787 -8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.321 13.162 -7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.592 12.489 -8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.449 9.487 -9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.273 10.036 -7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.568 11.220 -8.991 1.00 0.00 H new ATOM 328 N LEU A 22 22.858 12.048 -5.079 1.00 0.00 N ATOM 329 CA LEU A 22 23.549 13.102 -4.334 1.00 0.00 C ATOM 330 C LEU A 22 25.067 12.856 -4.290 1.00 0.00 C ATOM 331 O LEU A 22 25.855 13.758 -4.578 1.00 0.00 O ATOM 332 CB LEU A 22 22.910 13.119 -2.931 1.00 0.00 C ATOM 333 CG LEU A 22 23.449 14.175 -1.964 1.00 0.00 C ATOM 334 CD1 LEU A 22 23.008 15.577 -2.380 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.911 13.899 -0.559 1.00 0.00 C ATOM 0 H LEU A 22 22.136 11.583 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 22 23.437 14.074 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.837 13.272 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 22 23.047 12.137 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 22 24.538 14.123 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.405 16.307 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.384 15.795 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.919 15.630 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.294 14.650 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.822 13.940 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.233 12.910 -0.234 1.00 0.00 H new ATOM 347 N ARG A 23 25.478 11.610 -4.010 1.00 0.00 N ATOM 348 CA ARG A 23 26.896 11.199 -4.023 1.00 0.00 C ATOM 349 C ARG A 23 27.480 11.089 -5.435 1.00 0.00 C ATOM 350 O ARG A 23 28.588 11.571 -5.662 1.00 0.00 O ATOM 351 CB ARG A 23 27.058 9.888 -3.233 1.00 0.00 C ATOM 352 CG ARG A 23 26.867 10.110 -1.722 1.00 0.00 C ATOM 353 CD ARG A 23 27.098 8.835 -0.901 1.00 0.00 C ATOM 354 NE ARG A 23 26.038 7.835 -1.119 1.00 0.00 N ATOM 355 CZ ARG A 23 26.081 6.701 -1.789 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.136 6.290 -2.435 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.014 5.961 -1.801 1.00 0.00 N ATOM 0 H ARG A 23 24.837 10.855 -3.767 1.00 0.00 H new ATOM 0 HA ARG A 23 27.473 11.985 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.332 9.156 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 23 28.048 9.471 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.555 10.885 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.857 10.478 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.063 8.403 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.143 9.090 0.158 1.00 0.00 H new ATOM 0 HE ARG A 23 25.139 8.052 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.985 6.856 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.113 5.403 -2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.178 6.264 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.012 5.077 -2.310 1.00 0.00 H new ATOM 371 N TYR A 24 26.738 10.540 -6.403 1.00 0.00 N ATOM 372 CA TYR A 24 27.172 10.420 -7.808 1.00 0.00 C ATOM 373 C TYR A 24 27.432 11.785 -8.473 1.00 0.00 C ATOM 374 O TYR A 24 28.431 11.961 -9.172 1.00 0.00 O ATOM 375 CB TYR A 24 26.095 9.641 -8.579 1.00 0.00 C ATOM 376 CG TYR A 24 26.303 9.552 -10.081 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.421 8.865 -10.601 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.372 10.148 -10.958 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.610 8.779 -11.994 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.555 10.052 -12.349 1.00 0.00 C ATOM 381 CZ TYR A 24 26.678 9.376 -12.873 1.00 0.00 C ATOM 382 OH TYR A 24 26.849 9.294 -14.225 1.00 0.00 O ATOM 0 H TYR A 24 25.806 10.160 -6.235 1.00 0.00 H new ATOM 0 HA TYR A 24 28.124 9.889 -7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.044 8.629 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.128 10.108 -8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.132 8.405 -9.930 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.519 10.678 -10.561 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.468 8.256 -12.391 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.834 10.497 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 24 26.114 9.759 -14.677 1.00 0.00 H new ATOM 392 N THR A 25 26.572 12.774 -8.202 1.00 0.00 N ATOM 393 CA THR A 25 26.745 14.166 -8.668 1.00 0.00 C ATOM 394 C THR A 25 27.715 14.987 -7.806 1.00 0.00 C ATOM 395 O THR A 25 28.064 16.106 -8.182 1.00 0.00 O ATOM 396 CB THR A 25 25.402 14.908 -8.738 1.00 0.00 C ATOM 397 OG1 THR A 25 24.784 14.923 -7.474 1.00 0.00 O ATOM 398 CG2 THR A 25 24.417 14.296 -9.725 1.00 0.00 C ATOM 0 H THR A 25 25.727 12.635 -7.648 1.00 0.00 H new ATOM 0 HA THR A 25 27.176 14.075 -9.665 1.00 0.00 H new ATOM 0 HB THR A 25 25.646 15.914 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.418 14.035 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.492 14.872 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.849 14.310 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.205 13.267 -9.436 1.00 0.00 H new ATOM 406 N ASN A 26 28.148 14.450 -6.656 1.00 0.00 N ATOM 407 CA ASN A 26 28.964 15.137 -5.643 1.00 0.00 C ATOM 408 C ASN A 26 28.362 16.490 -5.188 1.00 0.00 C ATOM 409 O ASN A 26 29.080 17.450 -4.904 1.00 0.00 O ATOM 410 CB ASN A 26 30.435 15.170 -6.121 1.00 0.00 C ATOM 411 CG ASN A 26 31.422 15.481 -5.006 1.00 0.00 C ATOM 412 OD1 ASN A 26 32.057 16.526 -4.968 1.00 0.00 O ATOM 413 ND2 ASN A 26 31.612 14.573 -4.073 1.00 0.00 N ATOM 0 H ASN A 26 27.931 13.488 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 26 28.954 14.571 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.688 14.206 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.538 15.918 -6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 26 32.285 14.743 -3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.087 13.699 -4.097 1.00 0.00 H new ATOM 420 N SER A 27 27.026 16.565 -5.150 1.00 0.00 N ATOM 421 CA SER A 27 26.268 17.794 -4.870 1.00 0.00 C ATOM 422 C SER A 27 25.764 17.877 -3.418 1.00 0.00 C ATOM 423 O SER A 27 25.902 16.933 -2.634 1.00 0.00 O ATOM 424 CB SER A 27 25.113 17.916 -5.876 1.00 0.00 C ATOM 425 OG SER A 27 24.164 16.887 -5.694 1.00 0.00 O ATOM 0 H SER A 27 26.427 15.756 -5.316 1.00 0.00 H new ATOM 0 HA SER A 27 26.946 18.639 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.628 18.885 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 27 25.507 17.875 -6.892 1.00 0.00 H new ATOM 0 HG SER A 27 24.259 16.224 -6.409 1.00 0.00 H new ATOM 431 N THR A 28 25.188 19.029 -3.058 1.00 0.00 N ATOM 432 CA THR A 28 24.428 19.215 -1.805 1.00 0.00 C ATOM 433 C THR A 28 22.930 19.103 -2.074 1.00 0.00 C ATOM 434 O THR A 28 22.462 19.332 -3.189 1.00 0.00 O ATOM 435 CB THR A 28 24.729 20.562 -1.140 1.00 0.00 C ATOM 436 OG1 THR A 28 24.411 21.616 -2.027 1.00 0.00 O ATOM 437 CG2 THR A 28 26.197 20.722 -0.759 1.00 0.00 C ATOM 0 H THR A 28 25.234 19.872 -3.631 1.00 0.00 H new ATOM 0 HA THR A 28 24.742 18.427 -1.121 1.00 0.00 H new ATOM 0 HB THR A 28 24.125 20.594 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.604 22.475 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 28 26.348 21.696 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.479 19.936 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.815 20.649 -1.654 1.00 0.00 H new ATOM 445 N GLU A 29 22.140 18.801 -1.046 1.00 0.00 N ATOM 446 CA GLU A 29 20.686 18.624 -1.169 1.00 0.00 C ATOM 447 C GLU A 29 19.983 19.901 -1.656 1.00 0.00 C ATOM 448 O GLU A 29 19.038 19.830 -2.441 1.00 0.00 O ATOM 449 CB GLU A 29 20.102 18.163 0.179 1.00 0.00 C ATOM 450 CG GLU A 29 20.718 16.869 0.736 1.00 0.00 C ATOM 451 CD GLU A 29 21.850 17.129 1.757 1.00 0.00 C ATOM 452 OE1 GLU A 29 22.905 17.700 1.386 1.00 0.00 O ATOM 453 OE2 GLU A 29 21.685 16.765 2.947 1.00 0.00 O ATOM 0 H GLU A 29 22.488 18.670 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 29 20.507 17.858 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.239 18.959 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.028 18.018 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.936 16.277 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.110 16.275 -0.090 1.00 0.00 H new ATOM 460 N GLN A 30 20.491 21.080 -1.268 1.00 0.00 N ATOM 461 CA GLN A 30 20.000 22.375 -1.764 1.00 0.00 C ATOM 462 C GLN A 30 20.321 22.583 -3.254 1.00 0.00 C ATOM 463 O GLN A 30 19.467 23.058 -3.999 1.00 0.00 O ATOM 464 CB GLN A 30 20.577 23.517 -0.911 1.00 0.00 C ATOM 465 CG GLN A 30 20.094 23.461 0.550 1.00 0.00 C ATOM 466 CD GLN A 30 20.594 24.627 1.410 1.00 0.00 C ATOM 467 OE1 GLN A 30 21.318 25.516 0.976 1.00 0.00 O ATOM 468 NE2 GLN A 30 20.228 24.673 2.676 1.00 0.00 N ATOM 0 H GLN A 30 21.257 21.163 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 30 18.914 22.378 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.666 23.469 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.292 24.474 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.004 23.453 0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 30 20.425 22.524 0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.626 23.944 3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.547 25.437 3.272 1.00 0.00 H new ATOM 477 N GLN A 31 21.507 22.170 -3.718 1.00 0.00 N ATOM 478 CA GLN A 31 21.853 22.213 -5.148 1.00 0.00 C ATOM 479 C GLN A 31 21.044 21.199 -5.966 1.00 0.00 C ATOM 480 O GLN A 31 20.615 21.519 -7.070 1.00 0.00 O ATOM 481 CB GLN A 31 23.361 21.987 -5.346 1.00 0.00 C ATOM 482 CG GLN A 31 24.186 23.218 -4.936 1.00 0.00 C ATOM 483 CD GLN A 31 25.684 22.961 -5.080 1.00 0.00 C ATOM 484 OE1 GLN A 31 26.306 23.291 -6.082 1.00 0.00 O ATOM 485 NE2 GLN A 31 26.318 22.349 -4.105 1.00 0.00 N ATOM 0 H GLN A 31 22.248 21.800 -3.122 1.00 0.00 H new ATOM 0 HA GLN A 31 21.594 23.206 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.679 21.125 -4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.558 21.750 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.901 24.070 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 31 23.959 23.482 -3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.812 22.069 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 31 27.316 22.154 -4.189 1.00 0.00 H new ATOM 494 N PHE A 32 20.760 20.005 -5.430 1.00 0.00 N ATOM 495 CA PHE A 32 19.895 19.027 -6.105 1.00 0.00 C ATOM 496 C PHE A 32 18.431 19.507 -6.169 1.00 0.00 C ATOM 497 O PHE A 32 17.804 19.406 -7.222 1.00 0.00 O ATOM 498 CB PHE A 32 20.069 17.645 -5.454 1.00 0.00 C ATOM 499 CG PHE A 32 19.370 16.460 -6.115 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.945 16.484 -7.462 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.169 15.287 -5.359 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.277 15.380 -8.019 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.513 14.180 -5.922 1.00 0.00 C ATOM 504 CZ PHE A 32 18.046 14.232 -7.244 1.00 0.00 C ATOM 0 H PHE A 32 21.118 19.692 -4.528 1.00 0.00 H new ATOM 0 HA PHE A 32 20.202 18.931 -7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 32 21.136 17.425 -5.412 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.717 17.712 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.135 17.357 -8.068 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.522 15.239 -4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.941 15.415 -9.045 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.367 13.285 -5.335 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.511 13.393 -7.664 1.00 0.00 H new ATOM 514 N LEU A 33 17.914 20.137 -5.106 1.00 0.00 N ATOM 515 CA LEU A 33 16.611 20.822 -5.129 1.00 0.00 C ATOM 516 C LEU A 33 16.569 21.926 -6.190 1.00 0.00 C ATOM 517 O LEU A 33 15.662 21.943 -7.021 1.00 0.00 O ATOM 518 CB LEU A 33 16.290 21.307 -3.698 1.00 0.00 C ATOM 519 CG LEU A 33 14.935 21.995 -3.426 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.838 23.427 -3.952 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.751 21.187 -3.957 1.00 0.00 C ATOM 0 H LEU A 33 18.387 20.187 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 33 15.823 20.132 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.360 20.445 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.077 22.001 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 33 14.885 22.042 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.854 23.835 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.606 24.040 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.984 23.429 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.823 21.716 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.852 21.059 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.733 20.209 -3.476 1.00 0.00 H new ATOM 533 N GLU A 34 17.579 22.790 -6.227 1.00 0.00 N ATOM 534 CA GLU A 34 17.677 23.861 -7.228 1.00 0.00 C ATOM 535 C GLU A 34 17.753 23.324 -8.667 1.00 0.00 C ATOM 536 O GLU A 34 17.061 23.828 -9.548 1.00 0.00 O ATOM 537 CB GLU A 34 18.869 24.770 -6.889 1.00 0.00 C ATOM 538 CG GLU A 34 18.953 26.000 -7.803 1.00 0.00 C ATOM 539 CD GLU A 34 20.076 26.950 -7.340 1.00 0.00 C ATOM 540 OE1 GLU A 34 21.251 26.748 -7.732 1.00 0.00 O ATOM 541 OE2 GLU A 34 19.791 27.913 -6.584 1.00 0.00 O ATOM 0 H GLU A 34 18.356 22.772 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 34 16.760 24.449 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.788 25.097 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.793 24.197 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.138 25.684 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.999 26.528 -7.799 1.00 0.00 H new ATOM 548 N ALA A 35 18.516 22.254 -8.897 1.00 0.00 N ATOM 549 CA ALA A 35 18.606 21.596 -10.200 1.00 0.00 C ATOM 550 C ALA A 35 17.275 20.940 -10.617 1.00 0.00 C ATOM 551 O ALA A 35 16.872 21.050 -11.773 1.00 0.00 O ATOM 552 CB ALA A 35 19.758 20.581 -10.157 1.00 0.00 C ATOM 0 H ALA A 35 19.093 21.817 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 35 18.812 22.346 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.839 20.081 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.692 21.099 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.563 19.841 -9.381 1.00 0.00 H new ATOM 558 N MET A 36 16.552 20.308 -9.688 1.00 0.00 N ATOM 559 CA MET A 36 15.219 19.743 -9.958 1.00 0.00 C ATOM 560 C MET A 36 14.181 20.835 -10.244 1.00 0.00 C ATOM 561 O MET A 36 13.451 20.724 -11.223 1.00 0.00 O ATOM 562 CB MET A 36 14.794 18.842 -8.784 1.00 0.00 C ATOM 563 CG MET A 36 15.583 17.525 -8.764 1.00 0.00 C ATOM 564 SD MET A 36 15.167 16.367 -10.101 1.00 0.00 S ATOM 565 CE MET A 36 13.684 15.583 -9.413 1.00 0.00 C ATOM 0 H MET A 36 16.870 20.172 -8.728 1.00 0.00 H new ATOM 0 HA MET A 36 15.276 19.136 -10.861 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.947 19.372 -7.844 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.728 18.627 -8.858 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.647 17.754 -8.819 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.413 17.030 -7.808 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.304 14.843 -10.117 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.934 15.094 -8.472 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.921 16.341 -9.236 1.00 0.00 H new ATOM 575 N GLU A 37 14.152 21.927 -9.478 1.00 0.00 N ATOM 576 CA GLU A 37 13.234 23.049 -9.724 1.00 0.00 C ATOM 577 C GLU A 37 13.556 23.791 -11.037 1.00 0.00 C ATOM 578 O GLU A 37 12.643 24.155 -11.779 1.00 0.00 O ATOM 579 CB GLU A 37 13.270 24.020 -8.530 1.00 0.00 C ATOM 580 CG GLU A 37 12.604 23.464 -7.259 1.00 0.00 C ATOM 581 CD GLU A 37 11.084 23.232 -7.398 1.00 0.00 C ATOM 582 OE1 GLU A 37 10.394 24.008 -8.104 1.00 0.00 O ATOM 583 OE2 GLU A 37 10.547 22.296 -6.756 1.00 0.00 O ATOM 0 H GLU A 37 14.761 22.062 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 37 12.229 22.640 -9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.308 24.269 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.774 24.948 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.082 22.521 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.782 24.155 -6.435 1.00 0.00 H new ATOM 590 N SER A 38 14.841 23.949 -11.375 1.00 0.00 N ATOM 591 CA SER A 38 15.300 24.596 -12.620 1.00 0.00 C ATOM 592 C SER A 38 15.038 23.753 -13.881 1.00 0.00 C ATOM 593 O SER A 38 14.813 24.300 -14.962 1.00 0.00 O ATOM 594 CB SER A 38 16.796 24.915 -12.483 1.00 0.00 C ATOM 595 OG SER A 38 17.265 25.687 -13.580 1.00 0.00 O ATOM 0 H SER A 38 15.608 23.627 -10.784 1.00 0.00 H new ATOM 0 HA SER A 38 14.721 25.510 -12.753 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.970 25.458 -11.554 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.363 23.986 -12.421 1.00 0.00 H new ATOM 0 HG SER A 38 18.220 25.875 -13.463 1.00 0.00 H new ATOM 601 N THR A 39 14.986 22.420 -13.745 1.00 0.00 N ATOM 602 CA THR A 39 14.708 21.485 -14.862 1.00 0.00 C ATOM 603 C THR A 39 13.248 21.013 -14.928 1.00 0.00 C ATOM 604 O THR A 39 12.881 20.269 -15.837 1.00 0.00 O ATOM 605 CB THR A 39 15.654 20.274 -14.837 1.00 0.00 C ATOM 606 OG1 THR A 39 15.522 19.582 -13.619 1.00 0.00 O ATOM 607 CG2 THR A 39 17.118 20.680 -15.002 1.00 0.00 C ATOM 0 H THR A 39 15.136 21.950 -12.852 1.00 0.00 H new ATOM 0 HA THR A 39 14.892 22.064 -15.767 1.00 0.00 H new ATOM 0 HB THR A 39 15.373 19.638 -15.676 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.954 20.094 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.747 19.790 -14.978 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.249 21.191 -15.956 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.404 21.349 -14.190 1.00 0.00 H new ATOM 615 N GLY A 40 12.395 21.429 -13.979 1.00 0.00 N ATOM 616 CA GLY A 40 10.988 21.000 -13.916 1.00 0.00 C ATOM 617 C GLY A 40 10.803 19.546 -13.458 1.00 0.00 C ATOM 618 O GLY A 40 9.808 18.916 -13.810 1.00 0.00 O ATOM 0 H GLY A 40 12.661 22.072 -13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.448 21.657 -13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.537 21.121 -14.901 1.00 0.00 H new ATOM 622 N GLY A 41 11.767 19.001 -12.704 1.00 0.00 N ATOM 623 CA GLY A 41 11.728 17.639 -12.153 1.00 0.00 C ATOM 624 C GLY A 41 12.255 16.529 -13.065 1.00 0.00 C ATOM 625 O GLY A 41 12.155 15.357 -12.709 1.00 0.00 O ATOM 0 H GLY A 41 12.617 19.507 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.305 17.626 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.697 17.405 -11.889 1.00 0.00 H new ATOM 629 N ARG A 42 12.841 16.870 -14.223 1.00 0.00 N ATOM 630 CA ARG A 42 13.513 15.898 -15.109 1.00 0.00 C ATOM 631 C ARG A 42 14.854 15.484 -14.501 1.00 0.00 C ATOM 632 O ARG A 42 15.887 16.074 -14.797 1.00 0.00 O ATOM 633 CB ARG A 42 13.654 16.510 -16.526 1.00 0.00 C ATOM 634 CG ARG A 42 12.421 16.242 -17.406 1.00 0.00 C ATOM 635 CD ARG A 42 12.438 14.820 -17.994 1.00 0.00 C ATOM 636 NE ARG A 42 11.256 14.571 -18.848 1.00 0.00 N ATOM 637 CZ ARG A 42 11.098 14.848 -20.134 1.00 0.00 C ATOM 638 NH1 ARG A 42 12.005 15.464 -20.836 1.00 0.00 N ATOM 639 NH2 ARG A 42 10.008 14.495 -20.752 1.00 0.00 N ATOM 0 H ARG A 42 12.864 17.827 -14.575 1.00 0.00 H new ATOM 0 HA ARG A 42 12.918 14.990 -15.206 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.809 17.586 -16.440 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.539 16.098 -17.010 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.516 16.380 -16.815 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.387 16.970 -18.216 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.347 14.678 -18.579 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.463 14.091 -17.184 1.00 0.00 H new ATOM 0 HE ARG A 42 10.460 14.129 -18.388 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.879 15.754 -20.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.841 15.657 -21.824 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.271 14.003 -20.246 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.891 14.710 -21.742 1.00 0.00 H new ATOM 653 N VAL A 43 14.845 14.433 -13.679 1.00 0.00 N ATOM 654 CA VAL A 43 16.016 14.002 -12.879 1.00 0.00 C ATOM 655 C VAL A 43 17.256 13.717 -13.736 1.00 0.00 C ATOM 656 O VAL A 43 18.348 14.125 -13.354 1.00 0.00 O ATOM 657 CB VAL A 43 15.639 12.846 -11.925 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.320 11.528 -12.641 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.728 12.600 -10.878 1.00 0.00 C ATOM 0 H VAL A 43 14.023 13.845 -13.542 1.00 0.00 H new ATOM 0 HA VAL A 43 16.311 14.842 -12.250 1.00 0.00 H new ATOM 0 HB VAL A 43 14.724 13.179 -11.435 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.065 10.766 -11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.478 11.676 -13.317 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.190 11.204 -13.212 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.427 11.780 -10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.662 12.342 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.872 13.502 -10.284 1.00 0.00 H new ATOM 669 N ARG A 44 17.098 13.177 -14.953 1.00 0.00 N ATOM 670 CA ARG A 44 18.217 12.990 -15.907 1.00 0.00 C ATOM 671 C ARG A 44 18.901 14.309 -16.311 1.00 0.00 C ATOM 672 O ARG A 44 20.126 14.395 -16.318 1.00 0.00 O ATOM 673 CB ARG A 44 17.754 12.140 -17.109 1.00 0.00 C ATOM 674 CG ARG A 44 16.732 12.803 -18.057 1.00 0.00 C ATOM 675 CD ARG A 44 16.227 11.828 -19.133 1.00 0.00 C ATOM 676 NE ARG A 44 17.293 11.425 -20.077 1.00 0.00 N ATOM 677 CZ ARG A 44 17.238 10.451 -20.972 1.00 0.00 C ATOM 678 NH1 ARG A 44 16.176 9.711 -21.128 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.259 10.205 -21.739 1.00 0.00 N ATOM 0 H ARG A 44 16.197 12.857 -15.309 1.00 0.00 H new ATOM 0 HA ARG A 44 19.003 12.434 -15.395 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.633 11.863 -17.692 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.319 11.216 -16.728 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.886 13.172 -17.477 1.00 0.00 H new ATOM 0 HG3 ARG A 44 17.191 13.667 -18.537 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.818 10.940 -18.651 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.412 12.294 -19.687 1.00 0.00 H new ATOM 0 HE ARG A 44 18.164 11.955 -20.033 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.351 9.874 -20.550 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.170 8.969 -21.828 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.108 10.764 -21.653 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.211 9.453 -22.427 1.00 0.00 H new ATOM 693 N ILE A 45 18.109 15.365 -16.532 1.00 0.00 N ATOM 694 CA ILE A 45 18.632 16.708 -16.849 1.00 0.00 C ATOM 695 C ILE A 45 19.222 17.349 -15.589 1.00 0.00 C ATOM 696 O ILE A 45 20.253 18.000 -15.667 1.00 0.00 O ATOM 697 CB ILE A 45 17.572 17.611 -17.535 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.945 16.906 -18.764 1.00 0.00 C ATOM 699 CG2 ILE A 45 18.219 18.946 -17.979 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.861 17.719 -19.490 1.00 0.00 C ATOM 0 H ILE A 45 17.091 15.318 -16.497 1.00 0.00 H new ATOM 0 HA ILE A 45 19.433 16.597 -17.580 1.00 0.00 H new ATOM 0 HB ILE A 45 16.782 17.809 -16.811 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.738 16.670 -19.473 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.513 15.959 -18.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 17.467 19.573 -18.459 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.620 19.464 -17.108 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.026 18.743 -18.683 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.481 17.145 -20.335 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.044 17.934 -18.801 1.00 0.00 H new ATOM 0 HD13 ILE A 45 16.288 18.655 -19.849 1.00 0.00 H new ATOM 712 N ALA A 46 18.633 17.123 -14.410 1.00 0.00 N ATOM 713 CA ALA A 46 19.150 17.653 -13.145 1.00 0.00 C ATOM 714 C ALA A 46 20.536 17.072 -12.807 1.00 0.00 C ATOM 715 O ALA A 46 21.469 17.831 -12.540 1.00 0.00 O ATOM 716 CB ALA A 46 18.123 17.388 -12.035 1.00 0.00 C ATOM 0 H ALA A 46 17.784 16.567 -14.306 1.00 0.00 H new ATOM 0 HA ALA A 46 19.294 18.729 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.500 17.779 -11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.183 17.881 -12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.956 16.315 -11.943 1.00 0.00 H new ATOM 722 N ILE A 47 20.721 15.749 -12.914 1.00 0.00 N ATOM 723 CA ILE A 47 22.038 15.122 -12.696 1.00 0.00 C ATOM 724 C ILE A 47 23.030 15.508 -13.801 1.00 0.00 C ATOM 725 O ILE A 47 24.173 15.826 -13.488 1.00 0.00 O ATOM 726 CB ILE A 47 21.949 13.597 -12.451 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.544 12.785 -13.697 1.00 0.00 C ATOM 728 CG2 ILE A 47 21.001 13.340 -11.267 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.428 11.273 -13.463 1.00 0.00 C ATOM 0 H ILE A 47 19.978 15.091 -13.150 1.00 0.00 H new ATOM 0 HA ILE A 47 22.436 15.527 -11.766 1.00 0.00 H new ATOM 0 HB ILE A 47 22.951 13.241 -12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.587 13.158 -14.062 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.277 12.963 -14.484 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.930 12.268 -11.084 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.388 13.835 -10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.012 13.735 -11.500 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.139 10.782 -14.392 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.389 10.882 -13.129 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.673 11.080 -12.701 1.00 0.00 H new ATOM 741 N ALA A 48 22.586 15.616 -15.063 1.00 0.00 N ATOM 742 CA ALA A 48 23.411 16.158 -16.146 1.00 0.00 C ATOM 743 C ALA A 48 23.875 17.603 -15.872 1.00 0.00 C ATOM 744 O ALA A 48 25.051 17.914 -16.047 1.00 0.00 O ATOM 745 CB ALA A 48 22.605 16.060 -17.447 1.00 0.00 C ATOM 0 H ALA A 48 21.652 15.331 -15.357 1.00 0.00 H new ATOM 0 HA ALA A 48 24.327 15.573 -16.226 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.196 16.457 -18.272 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.360 15.017 -17.646 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.685 16.636 -17.349 1.00 0.00 H new ATOM 751 N LYS A 49 22.990 18.472 -15.364 1.00 0.00 N ATOM 752 CA LYS A 49 23.291 19.881 -15.047 1.00 0.00 C ATOM 753 C LYS A 49 24.274 20.013 -13.874 1.00 0.00 C ATOM 754 O LYS A 49 25.197 20.820 -13.937 1.00 0.00 O ATOM 755 CB LYS A 49 21.953 20.604 -14.764 1.00 0.00 C ATOM 756 CG LYS A 49 22.046 22.142 -14.710 1.00 0.00 C ATOM 757 CD LYS A 49 22.289 22.821 -16.071 1.00 0.00 C ATOM 758 CE LYS A 49 21.109 22.655 -17.047 1.00 0.00 C ATOM 759 NZ LYS A 49 21.340 23.407 -18.315 1.00 0.00 N ATOM 0 H LYS A 49 22.025 18.213 -15.157 1.00 0.00 H new ATOM 0 HA LYS A 49 23.789 20.348 -15.897 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.235 20.325 -15.535 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.556 20.245 -13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 49 21.122 22.533 -14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.853 22.420 -14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.475 23.883 -15.913 1.00 0.00 H new ATOM 0 HD3 LYS A 49 23.189 22.404 -16.523 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.966 21.598 -17.270 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.192 23.008 -16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.527 23.274 -18.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.452 24.419 -18.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 22.202 23.052 -18.777 1.00 0.00 H new ATOM 773 N LEU A 50 24.128 19.167 -12.850 1.00 0.00 N ATOM 774 CA LEU A 50 25.062 19.098 -11.712 1.00 0.00 C ATOM 775 C LEU A 50 26.447 18.557 -12.121 1.00 0.00 C ATOM 776 O LEU A 50 27.465 19.067 -11.658 1.00 0.00 O ATOM 777 CB LEU A 50 24.450 18.222 -10.600 1.00 0.00 C ATOM 778 CG LEU A 50 23.221 18.823 -9.898 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.530 17.747 -9.066 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.603 19.979 -8.972 1.00 0.00 C ATOM 0 H LEU A 50 23.355 18.505 -12.783 1.00 0.00 H new ATOM 0 HA LEU A 50 25.216 20.112 -11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.169 17.260 -11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.217 18.025 -9.851 1.00 0.00 H new ATOM 0 HG LEU A 50 22.555 19.203 -10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.659 18.175 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.213 16.932 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.224 17.365 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.706 20.375 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.292 19.620 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.084 20.766 -9.552 1.00 0.00 H new ATOM 792 N LEU A 51 26.502 17.563 -13.016 1.00 0.00 N ATOM 793 CA LEU A 51 27.764 17.028 -13.557 1.00 0.00 C ATOM 794 C LEU A 51 28.454 17.999 -14.538 1.00 0.00 C ATOM 795 O LEU A 51 29.684 18.041 -14.599 1.00 0.00 O ATOM 796 CB LEU A 51 27.492 15.671 -14.228 1.00 0.00 C ATOM 797 CG LEU A 51 27.152 14.530 -13.246 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.624 13.322 -14.019 1.00 0.00 C ATOM 799 CD2 LEU A 51 28.369 14.081 -12.432 1.00 0.00 C ATOM 0 H LEU A 51 25.671 17.103 -13.389 1.00 0.00 H new ATOM 0 HA LEU A 51 28.456 16.898 -12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.667 15.786 -14.931 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.369 15.385 -14.809 1.00 0.00 H new ATOM 0 HG LEU A 51 26.399 14.917 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.386 12.519 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.725 13.605 -14.567 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.384 12.979 -14.721 1.00 0.00 H new ATOM 0 HD21 LEU A 51 28.078 13.277 -11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.147 13.724 -13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.750 14.922 -11.853 1.00 0.00 H new ATOM 811 N SER A 52 27.676 18.820 -15.253 1.00 0.00 N ATOM 812 CA SER A 52 28.154 19.830 -16.220 1.00 0.00 C ATOM 813 C SER A 52 28.441 21.205 -15.591 1.00 0.00 C ATOM 814 O SER A 52 28.486 22.216 -16.297 1.00 0.00 O ATOM 815 CB SER A 52 27.181 19.957 -17.406 1.00 0.00 C ATOM 816 OG SER A 52 26.966 18.701 -18.030 1.00 0.00 O ATOM 0 H SER A 52 26.659 18.803 -15.175 1.00 0.00 H new ATOM 0 HA SER A 52 29.114 19.465 -16.585 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.230 20.361 -17.058 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.580 20.664 -18.133 1.00 0.00 H new ATOM 0 HG SER A 52 26.294 18.196 -17.526 1.00 0.00 H new ATOM 822 N LYS A 53 28.633 21.273 -14.263 1.00 0.00 N ATOM 823 CA LYS A 53 28.905 22.509 -13.504 1.00 0.00 C ATOM 824 C LYS A 53 30.365 22.976 -13.680 1.00 0.00 C ATOM 825 O LYS A 53 31.194 22.861 -12.775 1.00 0.00 O ATOM 826 CB LYS A 53 28.480 22.301 -12.033 1.00 0.00 C ATOM 827 CG LYS A 53 28.329 23.636 -11.291 1.00 0.00 C ATOM 828 CD LYS A 53 28.229 23.453 -9.771 1.00 0.00 C ATOM 829 CE LYS A 53 28.131 24.827 -9.093 1.00 0.00 C ATOM 830 NZ LYS A 53 28.214 24.725 -7.608 1.00 0.00 N ATOM 0 H LYS A 53 28.603 20.445 -13.668 1.00 0.00 H new ATOM 0 HA LYS A 53 28.308 23.330 -13.901 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.536 21.758 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.220 21.684 -11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.181 24.275 -11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.438 24.150 -11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.355 22.851 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.102 22.915 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.933 25.469 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.191 25.302 -9.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 28.195 25.678 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.406 24.176 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.100 24.249 -7.342 1.00 0.00 H new ATOM 844 N GLN A 54 30.684 23.462 -14.882 1.00 0.00 N ATOM 845 CA GLN A 54 32.018 23.910 -15.317 1.00 0.00 C ATOM 846 C GLN A 54 31.943 25.146 -16.241 1.00 0.00 C ATOM 847 O GLN A 54 30.855 25.570 -16.638 1.00 0.00 O ATOM 848 CB GLN A 54 32.755 22.727 -15.980 1.00 0.00 C ATOM 849 CG GLN A 54 32.127 22.246 -17.301 1.00 0.00 C ATOM 850 CD GLN A 54 32.845 21.016 -17.861 1.00 0.00 C ATOM 851 OE1 GLN A 54 32.394 19.886 -17.723 1.00 0.00 O ATOM 852 NE2 GLN A 54 33.985 21.179 -18.506 1.00 0.00 N ATOM 0 H GLN A 54 29.986 23.561 -15.619 1.00 0.00 H new ATOM 0 HA GLN A 54 32.586 24.232 -14.444 1.00 0.00 H new ATOM 0 HB2 GLN A 54 33.788 23.018 -16.168 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.781 21.892 -15.279 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.076 22.009 -17.138 1.00 0.00 H new ATOM 0 HG3 GLN A 54 32.162 23.052 -18.034 1.00 0.00 H new ATOM 0 HE21 GLN A 54 34.372 22.115 -18.628 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.478 20.369 -18.882 1.00 0.00 H new ATOM 861 N THR A 55 33.104 25.711 -16.600 1.00 0.00 N ATOM 862 CA THR A 55 33.242 26.868 -17.512 1.00 0.00 C ATOM 863 C THR A 55 34.244 26.605 -18.644 1.00 0.00 C ATOM 864 O THR A 55 35.201 25.841 -18.486 1.00 0.00 O ATOM 865 CB THR A 55 33.587 28.154 -16.735 1.00 0.00 C ATOM 866 OG1 THR A 55 33.660 29.247 -17.628 1.00 0.00 O ATOM 867 CG2 THR A 55 34.921 28.102 -15.983 1.00 0.00 C ATOM 0 H THR A 55 34.002 25.370 -16.257 1.00 0.00 H new ATOM 0 HA THR A 55 32.272 27.016 -17.986 1.00 0.00 H new ATOM 0 HB THR A 55 32.790 28.262 -15.999 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.878 30.062 -17.130 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.084 29.047 -15.465 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.898 27.289 -15.257 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.732 27.933 -16.692 1.00 0.00 H new ATOM 875 N SER A 56 34.034 27.257 -19.789 1.00 0.00 N ATOM 876 CA SER A 56 34.967 27.302 -20.925 1.00 0.00 C ATOM 877 C SER A 56 36.026 28.410 -20.798 1.00 0.00 C ATOM 878 O SER A 56 36.952 28.460 -21.606 1.00 0.00 O ATOM 879 CB SER A 56 34.169 27.459 -22.225 1.00 0.00 C ATOM 880 OG SER A 56 33.342 28.614 -22.158 1.00 0.00 O ATOM 0 H SER A 56 33.180 27.788 -19.961 1.00 0.00 H new ATOM 0 HA SER A 56 35.520 26.363 -20.934 1.00 0.00 H new ATOM 0 HB2 SER A 56 34.851 27.540 -23.071 1.00 0.00 H new ATOM 0 HB3 SER A 56 33.556 26.573 -22.393 1.00 0.00 H new ATOM 0 HG SER A 56 32.839 28.705 -22.994 1.00 0.00 H new ATOM 886 N GLY A 57 35.934 29.281 -19.785 1.00 0.00 N ATOM 887 CA GLY A 57 36.826 30.428 -19.534 1.00 0.00 C ATOM 888 C GLY A 57 38.243 30.082 -19.038 1.00 0.00 C ATOM 889 O GLY A 57 38.778 30.771 -18.170 1.00 0.00 O ATOM 0 H GLY A 57 35.200 29.204 -19.081 1.00 0.00 H new ATOM 0 HA2 GLY A 57 36.915 31.003 -20.456 1.00 0.00 H new ATOM 0 HA3 GLY A 57 36.353 31.077 -18.798 1.00 0.00 H new ATOM 893 N GLY A 58 38.851 29.012 -19.561 1.00 0.00 N ATOM 894 CA GLY A 58 40.176 28.511 -19.157 1.00 0.00 C ATOM 895 C GLY A 58 41.368 29.379 -19.592 1.00 0.00 C ATOM 896 O GLY A 58 42.489 29.137 -19.141 1.00 0.00 O ATOM 0 H GLY A 58 38.425 28.452 -20.299 1.00 0.00 H new ATOM 0 HA2 GLY A 58 40.194 28.416 -18.071 1.00 0.00 H new ATOM 0 HA3 GLY A 58 40.308 27.510 -19.567 1.00 0.00 H new ATOM 900 N SER A 59 41.141 30.398 -20.430 1.00 0.00 N ATOM 901 CA SER A 59 42.160 31.319 -20.972 1.00 0.00 C ATOM 902 C SER A 59 42.017 32.754 -20.426 1.00 0.00 C ATOM 903 O SER A 59 42.284 33.731 -21.132 1.00 0.00 O ATOM 904 CB SER A 59 42.164 31.274 -22.512 1.00 0.00 C ATOM 905 OG SER A 59 42.338 29.946 -22.997 1.00 0.00 O ATOM 0 H SER A 59 40.203 30.617 -20.766 1.00 0.00 H new ATOM 0 HA SER A 59 43.133 30.973 -20.625 1.00 0.00 H new ATOM 0 HB2 SER A 59 41.226 31.680 -22.891 1.00 0.00 H new ATOM 0 HB3 SER A 59 42.964 31.909 -22.893 1.00 0.00 H new ATOM 0 HG SER A 59 42.334 29.953 -23.977 1.00 0.00 H new ATOM 911 N GLY A 60 41.577 32.899 -19.169 1.00 0.00 N ATOM 912 CA GLY A 60 41.470 34.184 -18.460 1.00 0.00 C ATOM 913 C GLY A 60 40.412 35.112 -19.068 1.00 0.00 C ATOM 914 O GLY A 60 39.209 34.871 -18.940 1.00 0.00 O ATOM 0 H GLY A 60 41.278 32.106 -18.601 1.00 0.00 H new ATOM 0 HA2 GLY A 60 41.225 33.997 -17.414 1.00 0.00 H new ATOM 0 HA3 GLY A 60 42.438 34.684 -18.476 1.00 0.00 H new ATOM 918 N GLY A 61 40.861 36.170 -19.751 1.00 0.00 N ATOM 919 CA GLY A 61 40.004 37.091 -20.515 1.00 0.00 C ATOM 920 C GLY A 61 39.409 36.501 -21.807 1.00 0.00 C ATOM 921 O GLY A 61 38.580 37.149 -22.450 1.00 0.00 O ATOM 0 H GLY A 61 41.850 36.418 -19.791 1.00 0.00 H new ATOM 0 HA2 GLY A 61 39.187 37.421 -19.873 1.00 0.00 H new ATOM 0 HA3 GLY A 61 40.585 37.977 -20.771 1.00 0.00 H new ATOM 925 N SER A 62 39.808 35.280 -22.183 1.00 0.00 N ATOM 926 CA SER A 62 39.291 34.516 -23.329 1.00 0.00 C ATOM 927 C SER A 62 38.802 33.114 -22.915 1.00 0.00 C ATOM 928 O SER A 62 39.055 32.655 -21.795 1.00 0.00 O ATOM 929 CB SER A 62 40.369 34.452 -24.417 1.00 0.00 C ATOM 930 OG SER A 62 39.818 33.978 -25.637 1.00 0.00 O ATOM 0 H SER A 62 40.533 34.773 -21.675 1.00 0.00 H new ATOM 0 HA SER A 62 38.416 35.028 -23.730 1.00 0.00 H new ATOM 0 HB2 SER A 62 40.802 35.441 -24.567 1.00 0.00 H new ATOM 0 HB3 SER A 62 41.178 33.795 -24.097 1.00 0.00 H new ATOM 0 HG SER A 62 40.519 33.945 -26.321 1.00 0.00 H new ATOM 936 N LYS A 63 38.091 32.427 -23.818 1.00 0.00 N ATOM 937 CA LYS A 63 37.458 31.113 -23.596 1.00 0.00 C ATOM 938 C LYS A 63 37.794 30.093 -24.691 1.00 0.00 C ATOM 939 O LYS A 63 38.105 30.454 -25.828 1.00 0.00 O ATOM 940 CB LYS A 63 35.943 31.296 -23.364 1.00 0.00 C ATOM 941 CG LYS A 63 35.120 31.754 -24.586 1.00 0.00 C ATOM 942 CD LYS A 63 34.557 30.583 -25.411 1.00 0.00 C ATOM 943 CE LYS A 63 33.643 31.054 -26.551 1.00 0.00 C ATOM 944 NZ LYS A 63 34.409 31.540 -27.734 1.00 0.00 N ATOM 0 H LYS A 63 37.933 32.782 -24.761 1.00 0.00 H new ATOM 0 HA LYS A 63 37.881 30.677 -22.691 1.00 0.00 H new ATOM 0 HB2 LYS A 63 35.533 30.350 -23.009 1.00 0.00 H new ATOM 0 HB3 LYS A 63 35.804 32.023 -22.564 1.00 0.00 H new ATOM 0 HG2 LYS A 63 34.295 32.380 -24.246 1.00 0.00 H new ATOM 0 HG3 LYS A 63 35.747 32.373 -25.227 1.00 0.00 H new ATOM 0 HD2 LYS A 63 35.383 30.005 -25.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 33.999 29.915 -24.755 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.994 30.233 -26.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.997 31.853 -26.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 33.765 32.031 -28.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 35.151 32.198 -27.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 34.846 30.731 -28.221 1.00 0.00 H new ATOM 958 N LEU A 64 37.710 28.811 -24.337 1.00 0.00 N ATOM 959 CA LEU A 64 38.023 27.668 -25.201 1.00 0.00 C ATOM 960 C LEU A 64 36.857 27.333 -26.153 1.00 0.00 C ATOM 961 O LEU A 64 35.698 27.286 -25.733 1.00 0.00 O ATOM 962 CB LEU A 64 38.389 26.457 -24.318 1.00 0.00 C ATOM 963 CG LEU A 64 39.607 26.660 -23.390 1.00 0.00 C ATOM 964 CD1 LEU A 64 39.781 25.434 -22.495 1.00 0.00 C ATOM 965 CD2 LEU A 64 40.903 26.870 -24.173 1.00 0.00 C ATOM 0 H LEU A 64 37.410 28.527 -23.404 1.00 0.00 H new ATOM 0 HA LEU A 64 38.873 27.927 -25.833 1.00 0.00 H new ATOM 0 HB2 LEU A 64 37.525 26.201 -23.705 1.00 0.00 H new ATOM 0 HB3 LEU A 64 38.585 25.602 -24.965 1.00 0.00 H new ATOM 0 HG LEU A 64 39.413 27.554 -22.798 1.00 0.00 H new ATOM 0 HD11 LEU A 64 40.641 25.580 -21.841 1.00 0.00 H new ATOM 0 HD12 LEU A 64 38.885 25.295 -21.890 1.00 0.00 H new ATOM 0 HD13 LEU A 64 39.941 24.551 -23.114 1.00 0.00 H new ATOM 0 HD21 LEU A 64 41.730 27.008 -23.477 1.00 0.00 H new ATOM 0 HD22 LEU A 64 41.096 25.998 -24.798 1.00 0.00 H new ATOM 0 HD23 LEU A 64 40.808 27.754 -24.804 1.00 0.00 H new ATOM 977 N GLY A 65 37.171 27.054 -27.423 1.00 0.00 N ATOM 978 CA GLY A 65 36.202 26.655 -28.454 1.00 0.00 C ATOM 979 C GLY A 65 35.289 27.777 -28.979 1.00 0.00 C ATOM 980 O GLY A 65 35.426 28.954 -28.626 1.00 0.00 O ATOM 0 H GLY A 65 38.128 27.100 -27.772 1.00 0.00 H new ATOM 0 HA2 GLY A 65 36.749 26.232 -29.297 1.00 0.00 H new ATOM 0 HA3 GLY A 65 35.575 25.860 -28.050 1.00 0.00 H new ATOM 984 N GLY A 66 34.351 27.402 -29.853 1.00 0.00 N ATOM 985 CA GLY A 66 33.378 28.307 -30.481 1.00 0.00 C ATOM 986 C GLY A 66 32.328 28.869 -29.511 1.00 0.00 C ATOM 987 O GLY A 66 32.017 28.267 -28.480 1.00 0.00 O ATOM 0 H GLY A 66 34.242 26.433 -30.153 1.00 0.00 H new ATOM 0 HA2 GLY A 66 33.914 29.137 -30.940 1.00 0.00 H new ATOM 0 HA3 GLY A 66 32.868 27.774 -31.283 1.00 0.00 H new ATOM 991 N SER A 67 31.786 30.045 -29.839 1.00 0.00 N ATOM 992 CA SER A 67 30.785 30.759 -29.027 1.00 0.00 C ATOM 993 C SER A 67 29.362 30.208 -29.218 1.00 0.00 C ATOM 994 O SER A 67 28.978 29.805 -30.321 1.00 0.00 O ATOM 995 CB SER A 67 30.826 32.260 -29.339 1.00 0.00 C ATOM 996 OG SER A 67 32.134 32.765 -29.093 1.00 0.00 O ATOM 0 H SER A 67 32.033 30.542 -30.695 1.00 0.00 H new ATOM 0 HA SER A 67 31.046 30.597 -27.981 1.00 0.00 H new ATOM 0 HB2 SER A 67 30.548 32.433 -30.379 1.00 0.00 H new ATOM 0 HB3 SER A 67 30.099 32.789 -28.723 1.00 0.00 H new ATOM 0 HG SER A 67 32.695 32.619 -29.883 1.00 0.00 H new ATOM 1002 N GLY A 68 28.571 30.198 -28.140 1.00 0.00 N ATOM 1003 CA GLY A 68 27.181 29.719 -28.126 1.00 0.00 C ATOM 1004 C GLY A 68 26.158 30.708 -28.707 1.00 0.00 C ATOM 1005 O GLY A 68 26.474 31.867 -28.998 1.00 0.00 O ATOM 0 H GLY A 68 28.886 30.531 -27.229 1.00 0.00 H new ATOM 0 HA2 GLY A 68 27.126 28.787 -28.689 1.00 0.00 H new ATOM 0 HA3 GLY A 68 26.900 29.488 -27.098 1.00 0.00 H new ATOM 1009 N GLY A 69 24.915 30.246 -28.857 1.00 0.00 N ATOM 1010 CA GLY A 69 23.774 31.034 -29.348 1.00 0.00 C ATOM 1011 C GLY A 69 22.462 30.237 -29.380 1.00 0.00 C ATOM 1012 O GLY A 69 22.468 29.005 -29.295 1.00 0.00 O ATOM 0 H GLY A 69 24.663 29.283 -28.634 1.00 0.00 H new ATOM 0 HA2 GLY A 69 23.645 31.910 -28.713 1.00 0.00 H new ATOM 0 HA3 GLY A 69 23.996 31.398 -30.351 1.00 0.00 H new ATOM 1016 N SER A 70 21.333 30.943 -29.488 1.00 0.00 N ATOM 1017 CA SER A 70 19.976 30.365 -29.558 1.00 0.00 C ATOM 1018 C SER A 70 19.001 31.268 -30.333 1.00 0.00 C ATOM 1019 O SER A 70 19.236 32.472 -30.491 1.00 0.00 O ATOM 1020 CB SER A 70 19.447 30.115 -28.137 1.00 0.00 C ATOM 1021 OG SER A 70 18.239 29.367 -28.180 1.00 0.00 O ATOM 0 H SER A 70 21.331 31.962 -29.531 1.00 0.00 H new ATOM 0 HA SER A 70 20.044 29.422 -30.100 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.194 29.577 -27.554 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.275 31.067 -27.634 1.00 0.00 H new ATOM 0 HG SER A 70 17.916 29.215 -27.267 1.00 0.00 H new ATOM 1027 N ARG A 71 17.886 30.694 -30.808 1.00 0.00 N ATOM 1028 CA ARG A 71 16.820 31.395 -31.551 1.00 0.00 C ATOM 1029 C ARG A 71 15.989 32.345 -30.668 1.00 0.00 C ATOM 1030 O ARG A 71 15.463 33.341 -31.169 1.00 0.00 O ATOM 1031 CB ARG A 71 15.951 30.333 -32.250 1.00 0.00 C ATOM 1032 CG ARG A 71 14.956 30.927 -33.264 1.00 0.00 C ATOM 1033 CD ARG A 71 14.165 29.841 -34.011 1.00 0.00 C ATOM 1034 NE ARG A 71 15.027 29.001 -34.870 1.00 0.00 N ATOM 1035 CZ ARG A 71 15.434 29.257 -36.103 1.00 0.00 C ATOM 1036 NH1 ARG A 71 15.104 30.351 -36.735 1.00 0.00 N ATOM 1037 NH2 ARG A 71 16.193 28.408 -36.735 1.00 0.00 N ATOM 0 H ARG A 71 17.692 29.700 -30.684 1.00 0.00 H new ATOM 0 HA ARG A 71 17.276 32.049 -32.294 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.600 29.623 -32.763 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.399 29.773 -31.496 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.261 31.586 -32.744 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.498 31.539 -33.985 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.652 29.208 -33.287 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.397 30.313 -34.624 1.00 0.00 H new ATOM 0 HE ARG A 71 15.345 28.121 -34.465 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.512 31.045 -36.278 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.438 30.512 -37.685 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.477 27.540 -36.280 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.504 28.611 -37.685 1.00 0.00 H new ATOM 1051 N LYS A 72 15.895 32.056 -29.362 1.00 0.00 N ATOM 1052 CA LYS A 72 15.156 32.839 -28.350 1.00 0.00 C ATOM 1053 C LYS A 72 15.932 32.897 -27.024 1.00 0.00 C ATOM 1054 O LYS A 72 16.626 31.947 -26.663 1.00 0.00 O ATOM 1055 CB LYS A 72 13.753 32.215 -28.185 1.00 0.00 C ATOM 1056 CG LYS A 72 12.726 33.059 -27.408 1.00 0.00 C ATOM 1057 CD LYS A 72 12.298 34.339 -28.151 1.00 0.00 C ATOM 1058 CE LYS A 72 11.235 35.148 -27.386 1.00 0.00 C ATOM 1059 NZ LYS A 72 9.896 34.489 -27.378 1.00 0.00 N ATOM 0 H LYS A 72 16.350 31.236 -28.961 1.00 0.00 H new ATOM 0 HA LYS A 72 15.045 33.873 -28.678 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.349 32.010 -29.177 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.861 31.255 -27.680 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.843 32.451 -27.209 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.149 33.333 -26.441 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.174 34.966 -28.318 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.906 34.070 -29.132 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.568 35.295 -26.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.145 36.137 -27.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.222 35.079 -26.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.561 34.372 -28.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.971 33.557 -26.924 1.00 0.00 H new ATOM 1073 N ASP A 73 15.811 34.008 -26.292 1.00 0.00 N ATOM 1074 CA ASP A 73 16.581 34.257 -25.059 1.00 0.00 C ATOM 1075 C ASP A 73 16.126 33.401 -23.856 1.00 0.00 C ATOM 1076 O ASP A 73 16.928 33.108 -22.966 1.00 0.00 O ATOM 1077 CB ASP A 73 16.494 35.753 -24.727 1.00 0.00 C ATOM 1078 CG ASP A 73 17.434 36.153 -23.575 1.00 0.00 C ATOM 1079 OD1 ASP A 73 18.675 36.088 -23.752 1.00 0.00 O ATOM 1080 OD2 ASP A 73 16.938 36.578 -22.503 1.00 0.00 O ATOM 0 H ASP A 73 15.174 34.767 -26.535 1.00 0.00 H new ATOM 0 HA ASP A 73 17.613 33.960 -25.247 1.00 0.00 H new ATOM 0 HB2 ASP A 73 16.743 36.335 -25.615 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.468 36.004 -24.459 1.00 0.00 H new ATOM 1085 N LEU A 74 14.855 32.975 -23.842 1.00 0.00 N ATOM 1086 CA LEU A 74 14.229 32.143 -22.802 1.00 0.00 C ATOM 1087 C LEU A 74 13.390 31.003 -23.412 1.00 0.00 C ATOM 1088 O LEU A 74 12.920 31.099 -24.548 1.00 0.00 O ATOM 1089 CB LEU A 74 13.348 33.028 -21.892 1.00 0.00 C ATOM 1090 CG LEU A 74 14.101 34.067 -21.037 1.00 0.00 C ATOM 1091 CD1 LEU A 74 13.094 34.962 -20.312 1.00 0.00 C ATOM 1092 CD2 LEU A 74 14.988 33.412 -19.976 1.00 0.00 C ATOM 0 H LEU A 74 14.204 33.212 -24.591 1.00 0.00 H new ATOM 0 HA LEU A 74 15.022 31.684 -22.211 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.626 33.554 -22.517 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.780 32.379 -21.225 1.00 0.00 H new ATOM 0 HG LEU A 74 14.730 34.641 -21.717 1.00 0.00 H new ATOM 0 HD11 LEU A 74 13.628 35.696 -19.708 1.00 0.00 H new ATOM 0 HD12 LEU A 74 12.473 35.478 -21.044 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.463 34.351 -19.666 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.497 34.185 -19.400 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.372 32.809 -19.309 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.727 32.776 -20.462 1.00 0.00 H new ATOM 1104 N SER A 75 13.175 29.936 -22.633 1.00 0.00 N ATOM 1105 CA SER A 75 12.313 28.793 -22.977 1.00 0.00 C ATOM 1106 C SER A 75 11.649 28.184 -21.727 1.00 0.00 C ATOM 1107 O SER A 75 12.084 28.430 -20.596 1.00 0.00 O ATOM 1108 CB SER A 75 13.131 27.735 -23.732 1.00 0.00 C ATOM 1109 OG SER A 75 12.267 26.778 -24.329 1.00 0.00 O ATOM 0 H SER A 75 13.609 29.839 -21.715 1.00 0.00 H new ATOM 0 HA SER A 75 11.511 29.152 -23.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.739 28.215 -24.499 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.817 27.238 -23.046 1.00 0.00 H new ATOM 0 HG SER A 75 12.800 26.110 -24.809 1.00 0.00 H new ATOM 1115 N VAL A 76 10.579 27.406 -21.919 1.00 0.00 N ATOM 1116 CA VAL A 76 9.777 26.792 -20.841 1.00 0.00 C ATOM 1117 C VAL A 76 10.403 25.507 -20.272 1.00 0.00 C ATOM 1118 O VAL A 76 11.215 24.842 -20.924 1.00 0.00 O ATOM 1119 CB VAL A 76 8.317 26.535 -21.278 1.00 0.00 C ATOM 1120 CG1 VAL A 76 7.602 27.852 -21.599 1.00 0.00 C ATOM 1121 CG2 VAL A 76 8.196 25.590 -22.479 1.00 0.00 C ATOM 0 H VAL A 76 10.233 27.176 -22.851 1.00 0.00 H new ATOM 0 HA VAL A 76 9.771 27.526 -20.036 1.00 0.00 H new ATOM 0 HB VAL A 76 7.840 26.046 -20.429 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.576 27.644 -21.904 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.596 28.488 -20.714 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.125 28.362 -22.408 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.144 25.455 -22.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.722 26.018 -23.333 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.636 24.625 -22.228 1.00 0.00 H new ATOM 1131 N LYS A 77 9.992 25.138 -19.051 1.00 0.00 N ATOM 1132 CA LYS A 77 10.365 23.874 -18.381 1.00 0.00 C ATOM 1133 C LYS A 77 9.460 22.709 -18.827 1.00 0.00 C ATOM 1134 O LYS A 77 8.380 22.925 -19.382 1.00 0.00 O ATOM 1135 CB LYS A 77 10.368 24.065 -16.848 1.00 0.00 C ATOM 1136 CG LYS A 77 11.383 25.141 -16.414 1.00 0.00 C ATOM 1137 CD LYS A 77 11.583 25.237 -14.893 1.00 0.00 C ATOM 1138 CE LYS A 77 10.300 25.617 -14.134 1.00 0.00 C ATOM 1139 NZ LYS A 77 10.588 25.917 -12.701 1.00 0.00 N ATOM 0 H LYS A 77 9.376 25.721 -18.484 1.00 0.00 H new ATOM 0 HA LYS A 77 11.377 23.605 -18.683 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.370 24.349 -16.514 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.609 23.119 -16.363 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.344 24.929 -16.883 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.052 26.110 -16.788 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.948 24.280 -14.520 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.355 25.977 -14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.840 26.486 -14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.581 24.801 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.732 25.754 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.351 25.296 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.882 26.910 -12.607 1.00 0.00 H new ATOM 1153 N GLY A 78 9.910 21.473 -18.589 1.00 0.00 N ATOM 1154 CA GLY A 78 9.195 20.249 -18.988 1.00 0.00 C ATOM 1155 C GLY A 78 7.841 20.052 -18.287 1.00 0.00 C ATOM 1156 O GLY A 78 7.636 20.510 -17.161 1.00 0.00 O ATOM 0 H GLY A 78 10.791 21.288 -18.109 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.033 20.271 -20.066 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.829 19.387 -18.778 1.00 0.00 H new ATOM 1160 N MET A 79 6.918 19.340 -18.951 1.00 0.00 N ATOM 1161 CA MET A 79 5.544 19.108 -18.457 1.00 0.00 C ATOM 1162 C MET A 79 5.436 17.965 -17.426 1.00 0.00 C ATOM 1163 O MET A 79 4.446 17.888 -16.698 1.00 0.00 O ATOM 1164 CB MET A 79 4.597 18.855 -19.645 1.00 0.00 C ATOM 1165 CG MET A 79 4.487 20.051 -20.604 1.00 0.00 C ATOM 1166 SD MET A 79 3.894 21.612 -19.881 1.00 0.00 S ATOM 1167 CE MET A 79 2.180 21.174 -19.480 1.00 0.00 C ATOM 0 H MET A 79 7.102 18.903 -19.854 1.00 0.00 H new ATOM 0 HA MET A 79 5.248 20.014 -17.928 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.947 17.985 -20.200 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.605 18.612 -19.264 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.469 20.229 -21.043 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.818 19.776 -21.419 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.661 22.051 -19.093 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.675 20.821 -20.379 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.172 20.387 -18.726 1.00 0.00 H new ATOM 1177 N LEU A 80 6.458 17.096 -17.352 1.00 0.00 N ATOM 1178 CA LEU A 80 6.608 16.006 -16.378 1.00 0.00 C ATOM 1179 C LEU A 80 5.376 15.074 -16.268 1.00 0.00 C ATOM 1180 O LEU A 80 4.872 14.803 -15.180 1.00 0.00 O ATOM 1181 CB LEU A 80 7.105 16.592 -15.037 1.00 0.00 C ATOM 1182 CG LEU A 80 7.960 15.592 -14.239 1.00 0.00 C ATOM 1183 CD1 LEU A 80 9.371 15.505 -14.828 1.00 0.00 C ATOM 1184 CD2 LEU A 80 8.073 16.016 -12.774 1.00 0.00 C ATOM 0 H LEU A 80 7.241 17.139 -18.004 1.00 0.00 H new ATOM 0 HA LEU A 80 7.371 15.318 -16.743 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.690 17.491 -15.231 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.247 16.893 -14.435 1.00 0.00 H new ATOM 0 HG LEU A 80 7.469 14.621 -14.300 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.963 14.793 -14.252 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.313 15.173 -15.865 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.843 16.486 -14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.682 15.293 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.539 17.000 -12.715 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.079 16.058 -12.330 1.00 0.00 H new ATOM 1196 N TYR A 81 4.895 14.576 -17.415 1.00 0.00 N ATOM 1197 CA TYR A 81 3.755 13.650 -17.488 1.00 0.00 C ATOM 1198 C TYR A 81 4.069 12.250 -16.905 1.00 0.00 C ATOM 1199 O TYR A 81 3.178 11.568 -16.391 1.00 0.00 O ATOM 1200 CB TYR A 81 3.307 13.551 -18.955 1.00 0.00 C ATOM 1201 CG TYR A 81 2.058 12.716 -19.181 1.00 0.00 C ATOM 1202 CD1 TYR A 81 0.793 13.248 -18.861 1.00 0.00 C ATOM 1203 CD2 TYR A 81 2.162 11.412 -19.705 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -0.369 12.477 -19.065 1.00 0.00 C ATOM 1205 CE2 TYR A 81 1.001 10.636 -19.911 1.00 0.00 C ATOM 1206 CZ TYR A 81 -0.268 11.167 -19.589 1.00 0.00 C ATOM 1207 OH TYR A 81 -1.400 10.433 -19.784 1.00 0.00 O ATOM 0 H TYR A 81 5.289 14.806 -18.327 1.00 0.00 H new ATOM 0 HA TYR A 81 2.950 14.047 -16.869 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.129 14.557 -19.335 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.122 13.128 -19.542 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.714 14.247 -18.459 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.132 11.005 -19.950 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.338 12.887 -18.821 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.083 9.637 -20.314 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.162 9.556 -20.150 1.00 0.00 H new ATOM 1217 N ASP A 82 5.340 11.829 -16.946 1.00 0.00 N ATOM 1218 CA ASP A 82 5.827 10.557 -16.391 1.00 0.00 C ATOM 1219 C ASP A 82 5.615 10.445 -14.864 1.00 0.00 C ATOM 1220 O ASP A 82 5.898 11.378 -14.110 1.00 0.00 O ATOM 1221 CB ASP A 82 7.310 10.403 -16.761 1.00 0.00 C ATOM 1222 CG ASP A 82 8.003 9.305 -15.942 1.00 0.00 C ATOM 1223 OD1 ASP A 82 7.710 8.108 -16.165 1.00 0.00 O ATOM 1224 OD2 ASP A 82 8.807 9.663 -15.052 1.00 0.00 O ATOM 0 H ASP A 82 6.081 12.380 -17.379 1.00 0.00 H new ATOM 0 HA ASP A 82 5.244 9.745 -16.825 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.395 10.170 -17.822 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.823 11.351 -16.601 1.00 0.00 H new ATOM 1229 N SER A 83 5.122 9.295 -14.391 1.00 0.00 N ATOM 1230 CA SER A 83 4.749 9.085 -12.981 1.00 0.00 C ATOM 1231 C SER A 83 5.949 8.934 -12.039 1.00 0.00 C ATOM 1232 O SER A 83 5.910 9.442 -10.920 1.00 0.00 O ATOM 1233 CB SER A 83 3.846 7.852 -12.841 1.00 0.00 C ATOM 1234 OG SER A 83 2.697 7.981 -13.671 1.00 0.00 O ATOM 0 H SER A 83 4.968 8.475 -14.978 1.00 0.00 H new ATOM 0 HA SER A 83 4.217 9.988 -12.682 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.401 6.954 -13.114 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.540 7.734 -11.802 1.00 0.00 H new ATOM 0 HG SER A 83 2.131 7.187 -13.573 1.00 0.00 H new ATOM 1240 N ASP A 84 7.029 8.270 -12.462 1.00 0.00 N ATOM 1241 CA ASP A 84 8.197 8.040 -11.601 1.00 0.00 C ATOM 1242 C ASP A 84 8.926 9.344 -11.280 1.00 0.00 C ATOM 1243 O ASP A 84 9.110 9.662 -10.109 1.00 0.00 O ATOM 1244 CB ASP A 84 9.146 7.016 -12.231 1.00 0.00 C ATOM 1245 CG ASP A 84 10.375 6.766 -11.338 1.00 0.00 C ATOM 1246 OD1 ASP A 84 10.211 6.181 -10.242 1.00 0.00 O ATOM 1247 OD2 ASP A 84 11.505 7.123 -11.752 1.00 0.00 O ATOM 0 H ASP A 84 7.120 7.880 -13.400 1.00 0.00 H new ATOM 0 HA ASP A 84 7.836 7.631 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.616 6.078 -12.394 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.471 7.372 -13.209 1.00 0.00 H new ATOM 1252 N SER A 85 9.262 10.157 -12.285 1.00 0.00 N ATOM 1253 CA SER A 85 9.925 11.454 -12.081 1.00 0.00 C ATOM 1254 C SER A 85 9.081 12.436 -11.255 1.00 0.00 C ATOM 1255 O SER A 85 9.647 13.183 -10.454 1.00 0.00 O ATOM 1256 CB SER A 85 10.350 12.062 -13.420 1.00 0.00 C ATOM 1257 OG SER A 85 9.262 12.147 -14.315 1.00 0.00 O ATOM 0 H SER A 85 9.083 9.937 -13.265 1.00 0.00 H new ATOM 0 HA SER A 85 10.821 11.262 -11.491 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.766 13.056 -13.255 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.140 11.456 -13.862 1.00 0.00 H new ATOM 0 HG SER A 85 9.194 11.314 -14.827 1.00 0.00 H new ATOM 1263 N GLN A 86 7.743 12.381 -11.339 1.00 0.00 N ATOM 1264 CA GLN A 86 6.859 13.111 -10.414 1.00 0.00 C ATOM 1265 C GLN A 86 7.009 12.613 -8.969 1.00 0.00 C ATOM 1266 O GLN A 86 7.121 13.432 -8.058 1.00 0.00 O ATOM 1267 CB GLN A 86 5.390 12.981 -10.852 1.00 0.00 C ATOM 1268 CG GLN A 86 5.038 13.873 -12.047 1.00 0.00 C ATOM 1269 CD GLN A 86 3.619 13.592 -12.535 1.00 0.00 C ATOM 1270 OE1 GLN A 86 2.654 14.243 -12.153 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.431 12.577 -13.348 1.00 0.00 N ATOM 0 H GLN A 86 7.246 11.835 -12.043 1.00 0.00 H new ATOM 0 HA GLN A 86 7.157 14.159 -10.447 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.184 11.942 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.743 13.236 -10.013 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.129 14.921 -11.763 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.747 13.700 -12.857 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.228 12.029 -13.672 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.488 12.337 -13.655 1.00 0.00 H new ATOM 1280 N GLN A 87 7.076 11.298 -8.743 1.00 0.00 N ATOM 1281 CA GLN A 87 7.328 10.732 -7.411 1.00 0.00 C ATOM 1282 C GLN A 87 8.736 11.061 -6.886 1.00 0.00 C ATOM 1283 O GLN A 87 8.856 11.422 -5.717 1.00 0.00 O ATOM 1284 CB GLN A 87 7.054 9.214 -7.409 1.00 0.00 C ATOM 1285 CG GLN A 87 5.553 8.865 -7.516 1.00 0.00 C ATOM 1286 CD GLN A 87 4.736 9.208 -6.269 1.00 0.00 C ATOM 1287 OE1 GLN A 87 5.254 9.578 -5.220 1.00 0.00 O ATOM 1288 NE2 GLN A 87 3.429 9.089 -6.318 1.00 0.00 N ATOM 0 H GLN A 87 6.958 10.596 -9.474 1.00 0.00 H new ATOM 0 HA GLN A 87 6.632 11.205 -6.718 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.587 8.754 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.457 8.780 -6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.129 9.393 -8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.454 7.799 -7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.977 8.783 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.866 9.303 -5.495 1.00 0.00 H new ATOM 1297 N ILE A 88 9.778 11.043 -7.733 1.00 0.00 N ATOM 1298 CA ILE A 88 11.128 11.502 -7.343 1.00 0.00 C ATOM 1299 C ILE A 88 11.086 12.978 -6.940 1.00 0.00 C ATOM 1300 O ILE A 88 11.551 13.314 -5.855 1.00 0.00 O ATOM 1301 CB ILE A 88 12.197 11.276 -8.446 1.00 0.00 C ATOM 1302 CG1 ILE A 88 12.298 9.838 -9.010 1.00 0.00 C ATOM 1303 CG2 ILE A 88 13.584 11.698 -7.922 1.00 0.00 C ATOM 1304 CD1 ILE A 88 12.333 8.697 -7.986 1.00 0.00 C ATOM 0 H ILE A 88 9.714 10.715 -8.697 1.00 0.00 H new ATOM 0 HA ILE A 88 11.430 10.893 -6.491 1.00 0.00 H new ATOM 0 HB ILE A 88 11.862 11.894 -9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.450 9.673 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.199 9.775 -9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.331 11.538 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.564 12.753 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.839 11.102 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.405 7.742 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.198 8.820 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.422 8.717 -7.388 1.00 0.00 H new ATOM 1316 N LEU A 89 10.485 13.855 -7.755 1.00 0.00 N ATOM 1317 CA LEU A 89 10.383 15.286 -7.437 1.00 0.00 C ATOM 1318 C LEU A 89 9.607 15.519 -6.136 1.00 0.00 C ATOM 1319 O LEU A 89 10.071 16.287 -5.301 1.00 0.00 O ATOM 1320 CB LEU A 89 9.729 16.027 -8.629 1.00 0.00 C ATOM 1321 CG LEU A 89 9.437 17.526 -8.384 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.718 18.345 -8.224 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.631 18.109 -9.538 1.00 0.00 C ATOM 0 H LEU A 89 10.059 13.596 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 89 11.384 15.686 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.382 15.936 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.794 15.526 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 89 8.868 17.584 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.462 19.391 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.287 17.968 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.319 18.261 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.435 19.164 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.195 18.006 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.685 17.575 -9.628 1.00 0.00 H new ATOM 1335 N ASN A 90 8.482 14.833 -5.927 1.00 0.00 N ATOM 1336 CA ASN A 90 7.697 14.966 -4.699 1.00 0.00 C ATOM 1337 C ASN A 90 8.498 14.512 -3.467 1.00 0.00 C ATOM 1338 O ASN A 90 8.586 15.253 -2.492 1.00 0.00 O ATOM 1339 CB ASN A 90 6.373 14.200 -4.863 1.00 0.00 C ATOM 1340 CG ASN A 90 5.478 14.361 -3.644 1.00 0.00 C ATOM 1341 OD1 ASN A 90 5.541 13.579 -2.708 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.656 15.383 -3.599 1.00 0.00 N ATOM 0 H ASN A 90 8.091 14.173 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 90 7.463 16.017 -4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.851 14.561 -5.749 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.582 13.142 -5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.066 15.527 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.607 16.033 -4.383 1.00 0.00 H new ATOM 1349 N ARG A 91 9.166 13.348 -3.521 1.00 0.00 N ATOM 1350 CA ARG A 91 10.004 12.866 -2.402 1.00 0.00 C ATOM 1351 C ARG A 91 11.176 13.807 -2.125 1.00 0.00 C ATOM 1352 O ARG A 91 11.453 14.115 -0.974 1.00 0.00 O ATOM 1353 CB ARG A 91 10.501 11.428 -2.678 1.00 0.00 C ATOM 1354 CG ARG A 91 10.519 10.567 -1.396 1.00 0.00 C ATOM 1355 CD ARG A 91 9.315 9.612 -1.293 1.00 0.00 C ATOM 1356 NE ARG A 91 8.027 10.287 -1.572 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.174 10.040 -2.552 1.00 0.00 C ATOM 1358 NH1 ARG A 91 7.292 9.029 -3.360 1.00 0.00 N ATOM 1359 NH2 ARG A 91 6.155 10.809 -2.773 1.00 0.00 N ATOM 0 H ARG A 91 9.144 12.721 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 91 9.384 12.852 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.857 10.958 -3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.504 11.466 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.440 9.985 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.531 11.223 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.448 8.788 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.285 9.178 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 91 7.765 11.035 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.072 8.380 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.605 8.885 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.996 11.627 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.512 10.597 -3.535 1.00 0.00 H new ATOM 1373 N LEU A 92 11.826 14.305 -3.177 1.00 0.00 N ATOM 1374 CA LEU A 92 12.985 15.203 -3.086 1.00 0.00 C ATOM 1375 C LEU A 92 12.597 16.576 -2.525 1.00 0.00 C ATOM 1376 O LEU A 92 13.207 17.046 -1.567 1.00 0.00 O ATOM 1377 CB LEU A 92 13.598 15.253 -4.502 1.00 0.00 C ATOM 1378 CG LEU A 92 14.882 16.056 -4.742 1.00 0.00 C ATOM 1379 CD1 LEU A 92 14.669 17.564 -4.767 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.987 15.725 -3.742 1.00 0.00 C ATOM 0 H LEU A 92 11.558 14.093 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 92 13.729 14.838 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.793 14.226 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.836 15.648 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 92 15.199 15.744 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.622 18.063 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.974 17.820 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.258 17.889 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.870 16.325 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.642 15.946 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.239 14.667 -3.816 1.00 0.00 H new ATOM 1392 N ARG A 93 11.546 17.196 -3.071 1.00 0.00 N ATOM 1393 CA ARG A 93 11.033 18.495 -2.605 1.00 0.00 C ATOM 1394 C ARG A 93 10.559 18.420 -1.156 1.00 0.00 C ATOM 1395 O ARG A 93 10.899 19.290 -0.361 1.00 0.00 O ATOM 1396 CB ARG A 93 9.933 18.976 -3.570 1.00 0.00 C ATOM 1397 CG ARG A 93 9.390 20.372 -3.224 1.00 0.00 C ATOM 1398 CD ARG A 93 8.362 20.819 -4.271 1.00 0.00 C ATOM 1399 NE ARG A 93 7.664 22.046 -3.838 1.00 0.00 N ATOM 1400 CZ ARG A 93 7.719 23.252 -4.376 1.00 0.00 C ATOM 1401 NH1 ARG A 93 8.489 23.552 -5.381 1.00 0.00 N ATOM 1402 NH2 ARG A 93 6.976 24.211 -3.900 1.00 0.00 N ATOM 0 H ARG A 93 11.021 16.810 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 93 11.837 19.231 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.330 18.989 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.111 18.261 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.929 20.356 -2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.210 21.088 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.862 20.998 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.636 20.023 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 93 7.063 21.951 -3.019 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.091 22.839 -5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.491 24.500 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.353 24.031 -3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.018 25.142 -4.314 1.00 0.00 H new ATOM 1416 N GLU A 94 9.856 17.355 -0.771 1.00 0.00 N ATOM 1417 CA GLU A 94 9.420 17.171 0.618 1.00 0.00 C ATOM 1418 C GLU A 94 10.598 16.874 1.564 1.00 0.00 C ATOM 1419 O GLU A 94 10.662 17.462 2.643 1.00 0.00 O ATOM 1420 CB GLU A 94 8.325 16.095 0.692 1.00 0.00 C ATOM 1421 CG GLU A 94 7.040 16.533 -0.033 1.00 0.00 C ATOM 1422 CD GLU A 94 6.329 17.678 0.717 1.00 0.00 C ATOM 1423 OE1 GLU A 94 5.616 17.410 1.716 1.00 0.00 O ATOM 1424 OE2 GLU A 94 6.478 18.858 0.317 1.00 0.00 O ATOM 0 H GLU A 94 9.575 16.604 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 94 8.992 18.111 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.694 15.170 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.097 15.880 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.284 16.856 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.365 15.682 -0.124 1.00 0.00 H new ATOM 1431 N ARG A 95 11.582 16.064 1.145 1.00 0.00 N ATOM 1432 CA ARG A 95 12.818 15.804 1.914 1.00 0.00 C ATOM 1433 C ARG A 95 13.607 17.085 2.214 1.00 0.00 C ATOM 1434 O ARG A 95 14.078 17.262 3.336 1.00 0.00 O ATOM 1435 CB ARG A 95 13.687 14.794 1.138 1.00 0.00 C ATOM 1436 CG ARG A 95 14.946 14.315 1.881 1.00 0.00 C ATOM 1437 CD ARG A 95 15.802 13.445 0.946 1.00 0.00 C ATOM 1438 NE ARG A 95 16.681 12.523 1.687 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.844 12.736 2.268 1.00 0.00 C ATOM 1440 NH1 ARG A 95 18.426 13.901 2.314 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.429 11.718 2.822 1.00 0.00 N ATOM 0 H ARG A 95 11.546 15.565 0.256 1.00 0.00 H new ATOM 0 HA ARG A 95 12.535 15.388 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.076 13.926 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.991 15.248 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.524 15.172 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.663 13.745 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.149 12.871 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.409 14.089 0.309 1.00 0.00 H new ATOM 0 HE ARG A 95 16.333 11.567 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.980 14.711 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.328 14.002 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.987 10.799 2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.331 11.837 3.283 1.00 0.00 H new ATOM 1455 N VAL A 96 13.765 17.967 1.217 1.00 0.00 N ATOM 1456 CA VAL A 96 14.612 19.177 1.340 1.00 0.00 C ATOM 1457 C VAL A 96 13.853 20.383 1.913 1.00 0.00 C ATOM 1458 O VAL A 96 14.417 21.117 2.730 1.00 0.00 O ATOM 1459 CB VAL A 96 15.296 19.514 0.000 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.240 20.721 0.124 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.150 18.326 -0.473 1.00 0.00 C ATOM 0 H VAL A 96 13.316 17.869 0.306 1.00 0.00 H new ATOM 0 HA VAL A 96 15.391 18.942 2.065 1.00 0.00 H new ATOM 0 HB VAL A 96 14.498 19.741 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.701 20.924 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.673 21.595 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.016 20.502 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.628 18.576 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.914 18.108 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.514 17.451 -0.607 1.00 0.00 H new ATOM 1471 N SER A 97 12.586 20.575 1.532 1.00 0.00 N ATOM 1472 CA SER A 97 11.796 21.781 1.859 1.00 0.00 C ATOM 1473 C SER A 97 10.543 21.517 2.714 1.00 0.00 C ATOM 1474 O SER A 97 9.957 22.470 3.234 1.00 0.00 O ATOM 1475 CB SER A 97 11.398 22.514 0.569 1.00 0.00 C ATOM 1476 OG SER A 97 12.545 22.830 -0.211 1.00 0.00 O ATOM 0 H SER A 97 12.067 19.892 0.980 1.00 0.00 H new ATOM 0 HA SER A 97 12.450 22.400 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.718 21.891 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.859 23.428 0.817 1.00 0.00 H new ATOM 0 HG SER A 97 12.267 23.295 -1.028 1.00 0.00 H new ATOM 1482 N GLY A 98 10.130 20.257 2.889 1.00 0.00 N ATOM 1483 CA GLY A 98 9.073 19.837 3.819 1.00 0.00 C ATOM 1484 C GLY A 98 9.630 19.267 5.135 1.00 0.00 C ATOM 1485 O GLY A 98 10.816 19.411 5.449 1.00 0.00 O ATOM 0 H GLY A 98 10.534 19.476 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.430 20.689 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.449 19.084 3.337 1.00 0.00 H new ATOM 1489 N SER A 99 8.764 18.604 5.910 1.00 0.00 N ATOM 1490 CA SER A 99 9.119 18.044 7.228 1.00 0.00 C ATOM 1491 C SER A 99 9.784 16.659 7.164 1.00 0.00 C ATOM 1492 O SER A 99 10.507 16.283 8.089 1.00 0.00 O ATOM 1493 CB SER A 99 7.869 17.969 8.119 1.00 0.00 C ATOM 1494 OG SER A 99 7.257 19.249 8.245 1.00 0.00 O ATOM 0 H SER A 99 7.793 18.438 5.644 1.00 0.00 H new ATOM 0 HA SER A 99 9.859 18.723 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.157 17.261 7.695 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.142 17.594 9.105 1.00 0.00 H new ATOM 0 HG SER A 99 6.463 19.177 8.815 1.00 0.00 H new ATOM 1500 N THR A 100 9.530 15.876 6.103 1.00 0.00 N ATOM 1501 CA THR A 100 10.007 14.483 5.955 1.00 0.00 C ATOM 1502 C THR A 100 9.976 13.993 4.497 1.00 0.00 C ATOM 1503 O THR A 100 9.213 14.503 3.675 1.00 0.00 O ATOM 1504 CB THR A 100 9.174 13.542 6.853 1.00 0.00 C ATOM 1505 OG1 THR A 100 9.625 12.206 6.729 1.00 0.00 O ATOM 1506 CG2 THR A 100 7.684 13.504 6.531 1.00 0.00 C ATOM 0 H THR A 100 8.978 16.195 5.307 1.00 0.00 H new ATOM 0 HA THR A 100 11.050 14.467 6.270 1.00 0.00 H new ATOM 0 HB THR A 100 9.310 13.951 7.854 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.325 12.034 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.182 12.817 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.261 14.502 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.542 13.165 5.505 1.00 0.00 H new ATOM 1514 N ALA A 101 10.760 12.953 4.181 1.00 0.00 N ATOM 1515 CA ALA A 101 10.698 12.213 2.911 1.00 0.00 C ATOM 1516 C ALA A 101 9.528 11.209 2.839 1.00 0.00 C ATOM 1517 O ALA A 101 9.286 10.627 1.786 1.00 0.00 O ATOM 1518 CB ALA A 101 12.047 11.510 2.707 1.00 0.00 C ATOM 0 H ALA A 101 11.472 12.594 4.816 1.00 0.00 H new ATOM 0 HA ALA A 101 10.506 12.924 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.029 10.952 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.843 12.254 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.228 10.824 3.534 1.00 0.00 H new ATOM 1524 N GLN A 102 8.784 10.994 3.932 1.00 0.00 N ATOM 1525 CA GLN A 102 7.687 10.011 4.048 1.00 0.00 C ATOM 1526 C GLN A 102 6.378 10.433 3.328 1.00 0.00 C ATOM 1527 O GLN A 102 5.272 10.175 3.812 1.00 0.00 O ATOM 1528 CB GLN A 102 7.459 9.682 5.537 1.00 0.00 C ATOM 1529 CG GLN A 102 8.666 9.014 6.215 1.00 0.00 C ATOM 1530 CD GLN A 102 8.457 8.902 7.723 1.00 0.00 C ATOM 1531 OE1 GLN A 102 8.157 7.845 8.268 1.00 0.00 O ATOM 1532 NE2 GLN A 102 8.585 9.993 8.452 1.00 0.00 N ATOM 0 H GLN A 102 8.931 11.517 4.795 1.00 0.00 H new ATOM 0 HA GLN A 102 7.997 9.109 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.217 10.602 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.594 9.025 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.822 8.022 5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.567 9.592 6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.834 10.877 8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.435 9.953 9.460 1.00 0.00 H new ATOM 1541 N SER A 103 6.482 11.086 2.162 1.00 0.00 N ATOM 1542 CA SER A 103 5.348 11.538 1.338 1.00 0.00 C ATOM 1543 C SER A 103 4.788 10.461 0.383 1.00 0.00 C ATOM 1544 O SER A 103 3.821 10.719 -0.339 1.00 0.00 O ATOM 1545 CB SER A 103 5.755 12.800 0.577 1.00 0.00 C ATOM 1546 OG SER A 103 6.898 12.545 -0.232 1.00 0.00 O ATOM 0 H SER A 103 7.386 11.322 1.752 1.00 0.00 H new ATOM 0 HA SER A 103 4.525 11.756 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.928 13.138 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.972 13.603 1.281 1.00 0.00 H new ATOM 0 HG SER A 103 6.772 12.953 -1.114 1.00 0.00 H new ATOM 1552 N ALA A 104 5.385 9.258 0.374 1.00 0.00 N ATOM 1553 CA ALA A 104 4.960 8.099 -0.425 1.00 0.00 C ATOM 1554 C ALA A 104 3.576 7.550 -0.003 1.00 0.00 C ATOM 1555 O ALA A 104 2.753 7.262 -0.903 1.00 0.00 O ATOM 1556 CB ALA A 104 6.047 7.016 -0.347 1.00 0.00 C ATOM 1557 OXT ALA A 104 3.318 7.387 1.214 1.00 0.00 O ATOM 0 H ALA A 104 6.207 9.060 0.944 1.00 0.00 H new ATOM 0 HA ALA A 104 4.838 8.423 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.742 6.151 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.983 7.411 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.188 6.716 0.691 1.00 0.00 H new TER 1563 ALA A 104