USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 835 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: X 14 GLN : amide:sc= -3.67! C(o=-7.9!,f=-7.7!) USER MOD Set 1.2: X 17 GLN : amide:sc= -4.21! C(o=-7.9!,f=-18!) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 159:sc= -0.736 (180deg=-1.93!) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 6 SER OG : rot 180:sc= -0.0493 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 LYS NZ :NH3+ -143:sc= 1.42 (180deg=0.484) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -15:sc= 0.412 USER MOD Single : X 25 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000695) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 167:sc= -5.66! (180deg=-6.32!) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 94:sc= 0.57 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= -0.849! K(o=-0.85!,f=-2.3) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 78:sc= 0.262 USER MOD Single : X 64 GLN : amide:sc= -0.0623 K(o=-0.062,f=-1.9!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.014) USER MOD Single : X 69 THR OG1 : rot 98:sc= 0.843 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot -68:sc= 0.993 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -0.0981 K(o=-0.098,f=-2.3!) USER MOD Single : X 87 LYS NZ :NH3+ 160:sc= 0.0034 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ -161:sc= -0.102 (180deg=-0.57) USER MOD Single : X 96 ASN : amide:sc= -1.75! X(o=-1.7!,f=-2) USER MOD Single : X 98 GLN :FLIP amide:sc= -0.384 F(o=-1.1,f=-0.38) USER MOD Single : X 100 MET CE :methyl -115:sc=-0.00594 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 73.823 -6.129 -1.144 1.00 1.00 N ATOM 2 CA MET X 1 72.587 -5.864 -0.357 1.00 1.00 C ATOM 3 C MET X 1 71.403 -6.578 -1.010 1.00 1.00 C ATOM 4 O MET X 1 71.304 -6.663 -2.219 1.00 1.00 O ATOM 5 CB MET X 1 72.318 -4.358 -0.322 1.00 1.00 C ATOM 6 CG MET X 1 71.045 -4.081 0.481 1.00 1.00 C ATOM 7 SD MET X 1 70.800 -2.294 0.627 1.00 1.00 S ATOM 8 CE MET X 1 69.925 -2.053 -0.939 1.00 1.00 C ATOM 0 H1 MET X 1 74.530 -5.395 -0.937 1.00 1.00 H new ATOM 0 H2 MET X 1 74.206 -7.061 -0.886 1.00 1.00 H new ATOM 0 H3 MET X 1 73.598 -6.116 -2.159 1.00 1.00 H new ATOM 0 HA MET X 1 72.718 -6.234 0.660 1.00 1.00 H new ATOM 0 HB2 MET X 1 73.164 -3.838 0.128 1.00 1.00 H new ATOM 0 HB3 MET X 1 72.211 -3.974 -1.336 1.00 1.00 H new ATOM 0 HG2 MET X 1 70.186 -4.538 -0.010 1.00 1.00 H new ATOM 0 HG3 MET X 1 71.122 -4.530 1.471 1.00 1.00 H new ATOM 0 HE1 MET X 1 69.673 -0.999 -1.056 1.00 1.00 H new ATOM 0 HE2 MET X 1 70.563 -2.367 -1.765 1.00 1.00 H new ATOM 0 HE3 MET X 1 69.011 -2.647 -0.940 1.00 1.00 H new ATOM 20 N GLY X 2 70.498 -7.084 -0.220 1.00 1.00 N ATOM 21 CA GLY X 2 69.315 -7.788 -0.795 1.00 1.00 C ATOM 22 C GLY X 2 69.641 -9.269 -0.989 1.00 1.00 C ATOM 23 O GLY X 2 68.783 -10.068 -1.305 1.00 1.00 O ATOM 0 H GLY X 2 70.525 -7.041 0.799 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.457 -7.678 -0.132 1.00 1.00 H new ATOM 0 HA3 GLY X 2 69.040 -7.338 -1.749 1.00 1.00 H new ATOM 27 N GLN X 3 70.877 -9.641 -0.798 1.00 1.00 N ATOM 28 CA GLN X 3 71.259 -11.071 -0.969 1.00 1.00 C ATOM 29 C GLN X 3 71.110 -11.802 0.367 1.00 1.00 C ATOM 30 O GLN X 3 71.058 -11.193 1.416 1.00 1.00 O ATOM 31 CB GLN X 3 72.713 -11.160 -1.436 1.00 1.00 C ATOM 32 CG GLN X 3 72.824 -10.626 -2.867 1.00 1.00 C ATOM 33 CD GLN X 3 74.289 -10.642 -3.309 1.00 1.00 C ATOM 34 OE1 GLN X 3 75.139 -11.171 -2.617 1.00 1.00 O ATOM 35 NE2 GLN X 3 74.624 -10.082 -4.438 1.00 1.00 N ATOM 0 H GLN X 3 71.638 -9.017 -0.531 1.00 1.00 H new ATOM 0 HA GLN X 3 70.609 -11.533 -1.712 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.356 -10.583 -0.771 1.00 1.00 H new ATOM 0 HB3 GLN X 3 73.057 -12.194 -1.395 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.224 -11.237 -3.541 1.00 1.00 H new ATOM 0 HG3 GLN X 3 72.429 -9.611 -2.919 1.00 1.00 H new ATOM 0 HE21 GLN X 3 73.912 -9.639 -5.018 1.00 1.00 H new ATOM 0 HE22 GLN X 3 75.598 -10.087 -4.741 1.00 1.00 H new ATOM 44 N GLU X 4 71.044 -13.105 0.337 1.00 1.00 N ATOM 45 CA GLU X 4 70.900 -13.872 1.606 1.00 1.00 C ATOM 46 C GLU X 4 71.944 -13.389 2.614 1.00 1.00 C ATOM 47 O GLU X 4 73.083 -13.141 2.274 1.00 1.00 O ATOM 48 CB GLU X 4 71.116 -15.362 1.327 1.00 1.00 C ATOM 49 CG GLU X 4 69.954 -15.899 0.489 1.00 1.00 C ATOM 50 CD GLU X 4 70.217 -17.363 0.129 1.00 1.00 C ATOM 51 OE1 GLU X 4 71.208 -17.898 0.597 1.00 1.00 O ATOM 52 OE2 GLU X 4 69.422 -17.923 -0.608 1.00 1.00 O ATOM 0 H GLU X 4 71.084 -13.671 -0.511 1.00 1.00 H new ATOM 0 HA GLU X 4 69.901 -13.717 2.013 1.00 1.00 H new ATOM 0 HB2 GLU X 4 72.058 -15.511 0.799 1.00 1.00 H new ATOM 0 HB3 GLU X 4 71.186 -15.912 2.265 1.00 1.00 H new ATOM 0 HG2 GLU X 4 69.020 -15.812 1.045 1.00 1.00 H new ATOM 0 HG3 GLU X 4 69.841 -15.305 -0.418 1.00 1.00 H new ATOM 59 N LEU X 5 71.563 -13.251 3.853 1.00 1.00 N ATOM 60 CA LEU X 5 72.533 -12.785 4.884 1.00 1.00 C ATOM 61 C LEU X 5 73.240 -13.988 5.509 1.00 1.00 C ATOM 62 O LEU X 5 72.693 -14.677 6.345 1.00 1.00 O ATOM 63 CB LEU X 5 71.785 -12.011 5.977 1.00 1.00 C ATOM 64 CG LEU X 5 71.354 -10.647 5.432 1.00 1.00 C ATOM 65 CD1 LEU X 5 70.405 -9.975 6.427 1.00 1.00 C ATOM 66 CD2 LEU X 5 72.588 -9.759 5.225 1.00 1.00 C ATOM 0 H LEU X 5 70.622 -13.441 4.197 1.00 1.00 H new ATOM 0 HA LEU X 5 73.272 -12.135 4.415 1.00 1.00 H new ATOM 0 HB2 LEU X 5 70.912 -12.576 6.305 1.00 1.00 H new ATOM 0 HB3 LEU X 5 72.426 -11.880 6.849 1.00 1.00 H new ATOM 0 HG LEU X 5 70.844 -10.786 4.479 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.098 -9.004 6.038 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.525 -10.602 6.571 1.00 1.00 H new ATOM 0 HD13 LEU X 5 70.914 -9.840 7.381 1.00 1.00 H new ATOM 0 HD21 LEU X 5 72.277 -8.789 4.837 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.101 -9.622 6.177 1.00 1.00 H new ATOM 0 HD23 LEU X 5 73.263 -10.235 4.514 1.00 1.00 H new ATOM 78 N SER X 6 74.458 -14.240 5.110 1.00 1.00 N ATOM 79 CA SER X 6 75.207 -15.395 5.681 1.00 1.00 C ATOM 80 C SER X 6 75.860 -14.979 7.001 1.00 1.00 C ATOM 81 O SER X 6 75.910 -13.814 7.340 1.00 1.00 O ATOM 82 CB SER X 6 76.286 -15.843 4.697 1.00 1.00 C ATOM 83 OG SER X 6 77.064 -14.718 4.309 1.00 1.00 O ATOM 0 H SER X 6 74.966 -13.695 4.413 1.00 1.00 H new ATOM 0 HA SER X 6 74.517 -16.219 5.861 1.00 1.00 H new ATOM 0 HB2 SER X 6 76.923 -16.599 5.157 1.00 1.00 H new ATOM 0 HB3 SER X 6 75.828 -16.302 3.821 1.00 1.00 H new ATOM 0 HG SER X 6 77.759 -15.002 3.679 1.00 1.00 H new ATOM 89 N GLN X 7 76.368 -15.920 7.748 1.00 1.00 N ATOM 90 CA GLN X 7 77.015 -15.574 9.045 1.00 1.00 C ATOM 91 C GLN X 7 78.059 -14.479 8.814 1.00 1.00 C ATOM 92 O GLN X 7 78.186 -13.557 9.593 1.00 1.00 O ATOM 93 CB GLN X 7 77.697 -16.819 9.622 1.00 1.00 C ATOM 94 CG GLN X 7 78.313 -16.482 10.984 1.00 1.00 C ATOM 95 CD GLN X 7 78.968 -17.732 11.571 1.00 1.00 C ATOM 96 OE1 GLN X 7 78.739 -18.830 11.103 1.00 1.00 O ATOM 97 NE2 GLN X 7 79.778 -17.613 12.588 1.00 1.00 N ATOM 0 H GLN X 7 76.363 -16.913 7.517 1.00 1.00 H new ATOM 0 HA GLN X 7 76.261 -15.216 9.746 1.00 1.00 H new ATOM 0 HB2 GLN X 7 76.973 -17.626 9.729 1.00 1.00 H new ATOM 0 HB3 GLN X 7 78.470 -17.172 8.939 1.00 1.00 H new ATOM 0 HG2 GLN X 7 79.052 -15.689 10.874 1.00 1.00 H new ATOM 0 HG3 GLN X 7 77.544 -16.110 11.661 1.00 1.00 H new ATOM 0 HE21 GLN X 7 79.971 -16.692 12.981 1.00 1.00 H new ATOM 0 HE22 GLN X 7 80.218 -18.441 12.989 1.00 1.00 H new ATOM 106 N HIS X 8 78.806 -14.573 7.748 1.00 1.00 N ATOM 107 CA HIS X 8 79.838 -13.534 7.468 1.00 1.00 C ATOM 108 C HIS X 8 79.148 -12.196 7.179 1.00 1.00 C ATOM 109 O HIS X 8 79.542 -11.158 7.680 1.00 1.00 O ATOM 110 CB HIS X 8 80.667 -13.955 6.254 1.00 1.00 C ATOM 111 CG HIS X 8 81.747 -12.938 6.008 1.00 1.00 C ATOM 112 ND1 HIS X 8 82.897 -12.878 6.784 1.00 1.00 N ATOM 113 CD2 HIS X 8 81.870 -11.936 5.077 1.00 1.00 C ATOM 114 CE1 HIS X 8 83.654 -11.871 6.311 1.00 1.00 C ATOM 115 NE2 HIS X 8 83.073 -11.267 5.273 1.00 1.00 N ATOM 0 H HIS X 8 78.747 -15.323 7.059 1.00 1.00 H new ATOM 0 HA HIS X 8 80.492 -13.426 8.334 1.00 1.00 H new ATOM 0 HB2 HIS X 8 81.109 -14.937 6.425 1.00 1.00 H new ATOM 0 HB3 HIS X 8 80.027 -14.042 5.376 1.00 1.00 H new ATOM 0 HD2 HIS X 8 81.145 -11.704 4.311 1.00 1.00 H new ATOM 0 HE1 HIS X 8 84.612 -11.587 6.721 1.00 1.00 H new ATOM 0 HE2 HIS X 8 83.435 -10.479 4.736 1.00 1.00 H new ATOM 123 N GLU X 9 78.116 -12.212 6.377 1.00 1.00 N ATOM 124 CA GLU X 9 77.397 -10.951 6.058 1.00 1.00 C ATOM 125 C GLU X 9 76.694 -10.432 7.318 1.00 1.00 C ATOM 126 O GLU X 9 76.572 -9.244 7.537 1.00 1.00 O ATOM 127 CB GLU X 9 76.366 -11.201 4.960 1.00 1.00 C ATOM 128 CG GLU X 9 77.086 -11.497 3.643 1.00 1.00 C ATOM 129 CD GLU X 9 76.055 -11.713 2.534 1.00 1.00 C ATOM 130 OE1 GLU X 9 74.877 -11.563 2.813 1.00 1.00 O ATOM 131 OE2 GLU X 9 76.460 -12.021 1.425 1.00 1.00 O ATOM 0 H GLU X 9 77.742 -13.049 5.929 1.00 1.00 H new ATOM 0 HA GLU X 9 78.114 -10.208 5.708 1.00 1.00 H new ATOM 0 HB2 GLU X 9 75.724 -12.039 5.233 1.00 1.00 H new ATOM 0 HB3 GLU X 9 75.721 -10.330 4.847 1.00 1.00 H new ATOM 0 HG2 GLU X 9 77.747 -10.670 3.384 1.00 1.00 H new ATOM 0 HG3 GLU X 9 77.712 -12.383 3.750 1.00 1.00 H new ATOM 138 N ARG X 10 76.225 -11.320 8.147 1.00 1.00 N ATOM 139 CA ARG X 10 75.532 -10.890 9.393 1.00 1.00 C ATOM 140 C ARG X 10 76.543 -10.242 10.342 1.00 1.00 C ATOM 141 O ARG X 10 76.242 -9.285 11.026 1.00 1.00 O ATOM 142 CB ARG X 10 74.901 -12.106 10.074 1.00 1.00 C ATOM 143 CG ARG X 10 73.703 -12.588 9.253 1.00 1.00 C ATOM 144 CD ARG X 10 73.139 -13.868 9.872 1.00 1.00 C ATOM 145 NE ARG X 10 72.683 -13.584 11.263 1.00 1.00 N ATOM 146 CZ ARG X 10 71.491 -13.098 11.476 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.695 -12.859 10.470 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.094 -12.851 12.694 1.00 1.00 N ATOM 0 H ARG X 10 76.292 -12.329 8.015 1.00 1.00 H new ATOM 0 HA ARG X 10 74.753 -10.169 9.144 1.00 1.00 H new ATOM 0 HB2 ARG X 10 75.636 -12.905 10.168 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.582 -11.846 11.083 1.00 1.00 H new ATOM 0 HG2 ARG X 10 72.934 -11.816 9.225 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.006 -12.773 8.223 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.307 -14.239 9.273 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.900 -14.648 9.879 1.00 1.00 H new ATOM 0 HE ARG X 10 73.305 -13.770 12.050 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.005 -13.052 9.518 1.00 1.00 H new ATOM 0 HH12 ARG X 10 69.763 -12.479 10.636 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.716 -13.038 13.481 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.162 -12.471 12.859 1.00 1.00 H new ATOM 162 N TYR X 11 77.737 -10.767 10.403 1.00 1.00 N ATOM 163 CA TYR X 11 78.758 -10.185 11.322 1.00 1.00 C ATOM 164 C TYR X 11 79.034 -8.732 10.935 1.00 1.00 C ATOM 165 O TYR X 11 78.992 -7.839 11.761 1.00 1.00 O ATOM 166 CB TYR X 11 80.053 -10.993 11.216 1.00 1.00 C ATOM 167 CG TYR X 11 81.127 -10.330 12.044 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.079 -10.401 13.441 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.172 -9.643 11.414 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.075 -9.785 14.208 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.167 -9.027 12.182 1.00 1.00 C ATOM 172 CZ TYR X 11 83.119 -9.098 13.579 1.00 1.00 C ATOM 173 OH TYR X 11 84.101 -8.491 14.335 1.00 1.00 O ATOM 0 H TYR X 11 78.049 -11.571 9.858 1.00 1.00 H new ATOM 0 HA TYR X 11 78.384 -10.220 12.345 1.00 1.00 H new ATOM 0 HB2 TYR X 11 79.888 -12.013 11.564 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.369 -11.059 10.175 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.273 -10.931 13.927 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.210 -9.588 10.336 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.037 -9.840 15.286 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.973 -8.496 11.696 1.00 1.00 H new ATOM 0 HH TYR X 11 84.751 -8.059 13.742 1.00 1.00 H new ATOM 183 N VAL X 12 79.299 -8.485 9.684 1.00 1.00 N ATOM 184 CA VAL X 12 79.566 -7.084 9.244 1.00 1.00 C ATOM 185 C VAL X 12 78.307 -6.241 9.454 1.00 1.00 C ATOM 186 O VAL X 12 78.377 -5.065 9.747 1.00 1.00 O ATOM 187 CB VAL X 12 79.951 -7.072 7.765 1.00 1.00 C ATOM 188 CG1 VAL X 12 81.321 -7.727 7.588 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.910 -7.853 6.967 1.00 1.00 C ATOM 0 H VAL X 12 79.343 -9.189 8.947 1.00 1.00 H new ATOM 0 HA VAL X 12 80.386 -6.669 9.830 1.00 1.00 H new ATOM 0 HB VAL X 12 79.992 -6.043 7.408 1.00 1.00 H new ATOM 0 HG11 VAL X 12 81.595 -7.718 6.533 1.00 1.00 H new ATOM 0 HG12 VAL X 12 82.065 -7.174 8.161 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.281 -8.757 7.944 1.00 1.00 H new ATOM 0 HG21 VAL X 12 79.181 -7.847 5.911 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.873 -8.881 7.326 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.932 -7.389 7.093 1.00 1.00 H new ATOM 199 N GLU X 13 77.155 -6.835 9.308 1.00 1.00 N ATOM 200 CA GLU X 13 75.894 -6.066 9.501 1.00 1.00 C ATOM 201 C GLU X 13 75.877 -5.474 10.911 1.00 1.00 C ATOM 202 O GLU X 13 75.553 -4.319 11.104 1.00 1.00 O ATOM 203 CB GLU X 13 74.696 -7.000 9.322 1.00 1.00 C ATOM 204 CG GLU X 13 73.401 -6.200 9.461 1.00 1.00 C ATOM 205 CD GLU X 13 72.204 -7.112 9.187 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.419 -8.205 8.688 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.093 -6.703 9.479 1.00 1.00 O ATOM 0 H GLU X 13 77.032 -7.818 9.064 1.00 1.00 H new ATOM 0 HA GLU X 13 75.837 -5.262 8.767 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.737 -7.478 8.343 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.727 -7.795 10.067 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.328 -5.778 10.463 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.401 -5.363 8.762 1.00 1.00 H new ATOM 214 N GLN X 14 76.241 -6.248 11.896 1.00 1.00 N ATOM 215 CA GLN X 14 76.256 -5.716 13.286 1.00 1.00 C ATOM 216 C GLN X 14 77.282 -4.585 13.370 1.00 1.00 C ATOM 217 O GLN X 14 77.078 -3.589 14.043 1.00 1.00 O ATOM 218 CB GLN X 14 76.648 -6.831 14.261 1.00 1.00 C ATOM 219 CG GLN X 14 76.583 -6.304 15.699 1.00 1.00 C ATOM 220 CD GLN X 14 75.137 -5.943 16.045 1.00 1.00 C ATOM 221 OE1 GLN X 14 74.231 -6.713 15.799 1.00 1.00 O ATOM 222 NE2 GLN X 14 74.882 -4.794 16.610 1.00 1.00 N ATOM 0 H GLN X 14 76.528 -7.222 11.798 1.00 1.00 H new ATOM 0 HA GLN X 14 75.266 -5.343 13.548 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.977 -7.682 14.144 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.654 -7.185 14.038 1.00 1.00 H new ATOM 0 HG2 GLN X 14 76.956 -7.059 16.391 1.00 1.00 H new ATOM 0 HG3 GLN X 14 77.223 -5.428 15.806 1.00 1.00 H new ATOM 0 HE21 GLN X 14 75.643 -4.147 16.817 1.00 1.00 H new ATOM 0 HE22 GLN X 14 73.922 -4.543 16.845 1.00 1.00 H new ATOM 231 N LEU X 15 78.382 -4.725 12.686 1.00 1.00 N ATOM 232 CA LEU X 15 79.412 -3.656 12.724 1.00 1.00 C ATOM 233 C LEU X 15 78.802 -2.366 12.175 1.00 1.00 C ATOM 234 O LEU X 15 79.061 -1.284 12.667 1.00 1.00 O ATOM 235 CB LEU X 15 80.615 -4.066 11.865 1.00 1.00 C ATOM 236 CG LEU X 15 81.641 -2.929 11.830 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.092 -2.600 13.253 1.00 1.00 C ATOM 238 CD2 LEU X 15 82.847 -3.359 10.997 1.00 1.00 C ATOM 0 H LEU X 15 78.610 -5.531 12.105 1.00 1.00 H new ATOM 0 HA LEU X 15 79.747 -3.500 13.750 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.072 -4.968 12.271 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.287 -4.303 10.853 1.00 1.00 H new ATOM 0 HG LEU X 15 81.187 -2.044 11.383 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.822 -1.791 13.225 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.231 -2.292 13.846 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.546 -3.483 13.704 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.578 -2.551 10.971 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.300 -4.244 11.443 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.524 -3.589 9.982 1.00 1.00 H new ATOM 250 N LYS X 16 78.005 -2.471 11.149 1.00 1.00 N ATOM 251 CA LYS X 16 77.382 -1.255 10.556 1.00 1.00 C ATOM 252 C LYS X 16 76.519 -0.568 11.615 1.00 1.00 C ATOM 253 O LYS X 16 76.540 0.637 11.754 1.00 1.00 O ATOM 254 CB LYS X 16 76.505 -1.660 9.371 1.00 1.00 C ATOM 255 CG LYS X 16 75.963 -0.404 8.685 1.00 1.00 C ATOM 256 CD LYS X 16 75.145 -0.806 7.457 1.00 1.00 C ATOM 257 CE LYS X 16 74.627 0.448 6.753 1.00 1.00 C ATOM 258 NZ LYS X 16 73.842 0.056 5.550 1.00 1.00 N ATOM 0 H LYS X 16 77.757 -3.350 10.694 1.00 1.00 H new ATOM 0 HA LYS X 16 78.160 -0.572 10.215 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.083 -2.253 8.663 1.00 1.00 H new ATOM 0 HB3 LYS X 16 75.680 -2.286 9.712 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.342 0.163 9.379 1.00 1.00 H new ATOM 0 HG3 LYS X 16 76.787 0.246 8.390 1.00 1.00 H new ATOM 0 HD2 LYS X 16 75.760 -1.391 6.773 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.309 -1.439 7.755 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.004 1.028 7.433 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.462 1.086 6.463 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.015 0.739 4.785 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 74.133 -0.893 5.240 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 72.829 0.048 5.784 1.00 1.00 H new ATOM 272 N GLN X 17 75.763 -1.321 12.365 1.00 1.00 N ATOM 273 CA GLN X 17 74.902 -0.700 13.412 1.00 1.00 C ATOM 274 C GLN X 17 75.780 0.155 14.328 1.00 1.00 C ATOM 275 O GLN X 17 75.424 1.259 14.693 1.00 1.00 O ATOM 276 CB GLN X 17 74.227 -1.798 14.235 1.00 1.00 C ATOM 277 CG GLN X 17 73.298 -2.612 13.331 1.00 1.00 C ATOM 278 CD GLN X 17 72.644 -3.730 14.145 1.00 1.00 C ATOM 279 OE1 GLN X 17 73.324 -4.573 14.699 1.00 1.00 O ATOM 280 NE2 GLN X 17 71.344 -3.774 14.241 1.00 1.00 N ATOM 0 H GLN X 17 75.704 -2.337 12.299 1.00 1.00 H new ATOM 0 HA GLN X 17 74.137 -0.080 12.944 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.980 -2.448 14.681 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.660 -1.357 15.055 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.533 -1.965 12.901 1.00 1.00 H new ATOM 0 HG3 GLN X 17 73.861 -3.035 12.499 1.00 1.00 H new ATOM 0 HE21 GLN X 17 70.774 -3.067 13.776 1.00 1.00 H new ATOM 0 HE22 GLN X 17 70.897 -4.515 14.781 1.00 1.00 H new ATOM 289 N ALA X 18 76.934 -0.340 14.689 1.00 1.00 N ATOM 290 CA ALA X 18 77.841 0.452 15.569 1.00 1.00 C ATOM 291 C ALA X 18 78.284 1.718 14.827 1.00 1.00 C ATOM 292 O ALA X 18 78.293 2.800 15.374 1.00 1.00 O ATOM 293 CB ALA X 18 79.072 -0.385 15.917 1.00 1.00 C ATOM 0 H ALA X 18 77.287 -1.256 14.413 1.00 1.00 H new ATOM 0 HA ALA X 18 77.316 0.725 16.484 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.735 0.193 16.560 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.761 -1.291 16.437 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.599 -0.655 15.002 1.00 1.00 H new ATOM 299 N LEU X 19 78.644 1.591 13.581 1.00 1.00 N ATOM 300 CA LEU X 19 79.074 2.788 12.810 1.00 1.00 C ATOM 301 C LEU X 19 77.905 3.767 12.700 1.00 1.00 C ATOM 302 O LEU X 19 78.071 4.964 12.816 1.00 1.00 O ATOM 303 CB LEU X 19 79.518 2.359 11.406 1.00 1.00 C ATOM 304 CG LEU X 19 80.948 1.825 11.460 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.155 0.802 10.344 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.931 2.986 11.266 1.00 1.00 C ATOM 0 H LEU X 19 78.659 0.712 13.065 1.00 1.00 H new ATOM 0 HA LEU X 19 79.907 3.272 13.321 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.847 1.591 11.020 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.461 3.205 10.721 1.00 1.00 H new ATOM 0 HG LEU X 19 81.121 1.351 12.426 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.176 0.422 10.384 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.455 -0.024 10.473 1.00 1.00 H new ATOM 0 HD13 LEU X 19 80.982 1.277 9.378 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.953 2.608 11.304 1.00 1.00 H new ATOM 0 HD22 LEU X 19 81.754 3.455 10.298 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.786 3.721 12.058 1.00 1.00 H new ATOM 318 N LYS X 20 76.724 3.267 12.463 1.00 1.00 N ATOM 319 CA LYS X 20 75.547 4.167 12.331 1.00 1.00 C ATOM 320 C LYS X 20 75.325 4.912 13.645 1.00 1.00 C ATOM 321 O LYS X 20 74.988 6.080 13.659 1.00 1.00 O ATOM 322 CB LYS X 20 74.304 3.338 11.993 1.00 1.00 C ATOM 323 CG LYS X 20 73.126 4.274 11.708 1.00 1.00 C ATOM 324 CD LYS X 20 71.917 3.450 11.256 1.00 1.00 C ATOM 325 CE LYS X 20 70.748 4.387 10.948 1.00 1.00 C ATOM 326 NZ LYS X 20 69.594 3.590 10.441 1.00 1.00 N ATOM 0 H LYS X 20 76.524 2.273 12.355 1.00 1.00 H new ATOM 0 HA LYS X 20 75.728 4.887 11.533 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.499 2.708 11.125 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.061 2.673 12.822 1.00 1.00 H new ATOM 0 HG2 LYS X 20 72.877 4.845 12.602 1.00 1.00 H new ATOM 0 HG3 LYS X 20 73.398 4.994 10.936 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.172 2.866 10.372 1.00 1.00 H new ATOM 0 HD3 LYS X 20 71.634 2.742 12.035 1.00 1.00 H new ATOM 0 HE2 LYS X 20 70.460 4.934 11.846 1.00 1.00 H new ATOM 0 HE3 LYS X 20 71.047 5.127 10.206 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 68.798 4.226 10.231 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 69.873 3.087 9.574 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 69.304 2.900 11.163 1.00 1.00 H new ATOM 340 N THR X 21 75.512 4.246 14.748 1.00 1.00 N ATOM 341 CA THR X 21 75.313 4.910 16.065 1.00 1.00 C ATOM 342 C THR X 21 76.344 6.027 16.230 1.00 1.00 C ATOM 343 O THR X 21 76.100 7.020 16.888 1.00 1.00 O ATOM 344 CB THR X 21 75.481 3.884 17.186 1.00 1.00 C ATOM 345 OG1 THR X 21 76.752 3.263 17.070 1.00 1.00 O ATOM 346 CG2 THR X 21 74.381 2.825 17.081 1.00 1.00 C ATOM 0 H THR X 21 75.795 3.267 14.795 1.00 1.00 H new ATOM 0 HA THR X 21 74.309 5.333 16.113 1.00 1.00 H new ATOM 0 HB THR X 21 75.408 4.385 18.151 1.00 1.00 H new ATOM 0 HG1 THR X 21 77.130 3.454 16.186 1.00 1.00 H new ATOM 0 HG21 THR X 21 74.502 2.094 17.881 1.00 1.00 H new ATOM 0 HG22 THR X 21 73.406 3.303 17.171 1.00 1.00 H new ATOM 0 HG23 THR X 21 74.451 2.322 16.116 1.00 1.00 H new ATOM 354 N ARG X 22 77.494 5.875 15.634 1.00 1.00 N ATOM 355 CA ARG X 22 78.537 6.929 15.750 1.00 1.00 C ATOM 356 C ARG X 22 78.207 8.080 14.805 1.00 1.00 C ATOM 357 O ARG X 22 78.775 9.150 14.901 1.00 1.00 O ATOM 358 CB ARG X 22 79.903 6.350 15.389 1.00 1.00 C ATOM 359 CG ARG X 22 80.363 5.398 16.496 1.00 1.00 C ATOM 360 CD ARG X 22 81.820 4.995 16.258 1.00 1.00 C ATOM 361 NE ARG X 22 81.892 4.018 15.139 1.00 1.00 N ATOM 362 CZ ARG X 22 83.051 3.586 14.723 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.149 4.017 15.283 1.00 1.00 N ATOM 364 NH2 ARG X 22 83.115 2.723 13.746 1.00 1.00 N ATOM 0 H ARG X 22 77.756 5.065 15.071 1.00 1.00 H new ATOM 0 HA ARG X 22 78.562 7.295 16.776 1.00 1.00 H new ATOM 0 HB2 ARG X 22 79.845 5.819 14.439 1.00 1.00 H new ATOM 0 HB3 ARG X 22 80.628 7.154 15.261 1.00 1.00 H new ATOM 0 HG2 ARG X 22 80.263 5.880 17.468 1.00 1.00 H new ATOM 0 HG3 ARG X 22 79.729 4.512 16.513 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.418 5.876 16.024 1.00 1.00 H new ATOM 0 HD3 ARG X 22 82.239 4.557 17.164 1.00 1.00 H new ATOM 0 HE ARG X 22 81.035 3.685 14.697 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.101 4.692 16.046 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.054 3.679 14.957 1.00 1.00 H new ATOM 0 HH21 ARG X 22 82.259 2.386 13.307 1.00 1.00 H new ATOM 0 HH22 ARG X 22 84.021 2.386 13.422 1.00 1.00 H new ATOM 378 N GLY X 23 77.294 7.868 13.896 1.00 1.00 N ATOM 379 CA GLY X 23 76.920 8.949 12.938 1.00 1.00 C ATOM 380 C GLY X 23 77.394 8.580 11.537 1.00 1.00 C ATOM 381 O GLY X 23 78.005 9.380 10.856 1.00 1.00 O ATOM 0 H GLY X 23 76.789 6.990 13.775 1.00 1.00 H new ATOM 0 HA2 GLY X 23 75.840 9.093 12.941 1.00 1.00 H new ATOM 0 HA3 GLY X 23 77.368 9.893 13.247 1.00 1.00 H new ATOM 385 N VAL X 24 77.119 7.377 11.104 1.00 1.00 N ATOM 386 CA VAL X 24 77.551 6.950 9.741 1.00 1.00 C ATOM 387 C VAL X 24 76.323 6.516 8.942 1.00 1.00 C ATOM 388 O VAL X 24 75.470 5.813 9.441 1.00 1.00 O ATOM 389 CB VAL X 24 78.525 5.783 9.853 1.00 1.00 C ATOM 390 CG1 VAL X 24 78.815 5.223 8.461 1.00 1.00 C ATOM 391 CG2 VAL X 24 79.827 6.263 10.496 1.00 1.00 C ATOM 0 H VAL X 24 76.612 6.670 11.638 1.00 1.00 H new ATOM 0 HA VAL X 24 78.045 7.780 9.236 1.00 1.00 H new ATOM 0 HB VAL X 24 78.084 5.001 10.471 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.512 4.389 8.542 1.00 1.00 H new ATOM 0 HG12 VAL X 24 77.886 4.877 8.007 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.254 6.003 7.839 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.523 5.428 10.576 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.269 7.047 9.881 1.00 1.00 H new ATOM 0 HG23 VAL X 24 79.618 6.657 11.490 1.00 1.00 H new ATOM 401 N LYS X 25 76.225 6.933 7.710 1.00 1.00 N ATOM 402 CA LYS X 25 75.049 6.548 6.878 1.00 1.00 C ATOM 403 C LYS X 25 75.537 6.004 5.538 1.00 1.00 C ATOM 404 O LYS X 25 75.834 6.751 4.630 1.00 1.00 O ATOM 405 CB LYS X 25 74.172 7.777 6.638 1.00 1.00 C ATOM 406 CG LYS X 25 73.550 8.227 7.962 1.00 1.00 C ATOM 407 CD LYS X 25 72.687 9.467 7.725 1.00 1.00 C ATOM 408 CE LYS X 25 72.076 9.926 9.050 1.00 1.00 C ATOM 409 NZ LYS X 25 73.094 10.691 9.825 1.00 1.00 N ATOM 0 H LYS X 25 76.910 7.526 7.242 1.00 1.00 H new ATOM 0 HA LYS X 25 74.469 5.783 7.395 1.00 1.00 H new ATOM 0 HB2 LYS X 25 74.767 8.584 6.211 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.389 7.543 5.917 1.00 1.00 H new ATOM 0 HG2 LYS X 25 72.944 7.424 8.383 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.333 8.449 8.687 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.291 10.266 7.295 1.00 1.00 H new ATOM 0 HD3 LYS X 25 71.898 9.242 7.007 1.00 1.00 H new ATOM 0 HE2 LYS X 25 71.201 10.549 8.863 1.00 1.00 H new ATOM 0 HE3 LYS X 25 71.737 9.064 9.625 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 72.676 11.019 10.719 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 73.909 10.077 10.028 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 73.409 11.512 9.269 1.00 1.00 H new ATOM 423 N VAL X 26 75.623 4.708 5.413 1.00 1.00 N ATOM 424 CA VAL X 26 76.095 4.101 4.136 1.00 1.00 C ATOM 425 C VAL X 26 75.178 2.943 3.751 1.00 1.00 C ATOM 426 O VAL X 26 74.464 2.402 4.571 1.00 1.00 O ATOM 427 CB VAL X 26 77.527 3.586 4.314 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.468 4.763 4.589 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.581 2.609 5.491 1.00 1.00 C ATOM 0 H VAL X 26 75.385 4.039 6.145 1.00 1.00 H new ATOM 0 HA VAL X 26 76.076 4.853 3.347 1.00 1.00 H new ATOM 0 HB VAL X 26 77.839 3.076 3.403 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.486 4.393 4.715 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.436 5.458 3.750 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.153 5.276 5.498 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.601 2.245 5.615 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.265 3.118 6.401 1.00 1.00 H new ATOM 0 HG23 VAL X 26 76.916 1.767 5.296 1.00 1.00 H new ATOM 439 N LYS X 27 75.192 2.557 2.504 1.00 1.00 N ATOM 440 CA LYS X 27 74.320 1.432 2.062 1.00 1.00 C ATOM 441 C LYS X 27 74.946 0.101 2.479 1.00 1.00 C ATOM 442 O LYS X 27 76.146 -0.017 2.608 1.00 1.00 O ATOM 443 CB LYS X 27 74.164 1.469 0.541 1.00 1.00 C ATOM 444 CG LYS X 27 73.357 2.704 0.138 1.00 1.00 C ATOM 445 CD LYS X 27 73.171 2.720 -1.382 1.00 1.00 C ATOM 446 CE LYS X 27 72.406 3.981 -1.790 1.00 1.00 C ATOM 447 NZ LYS X 27 72.186 3.973 -3.264 1.00 1.00 N ATOM 0 H LYS X 27 75.769 2.972 1.773 1.00 1.00 H new ATOM 0 HA LYS X 27 73.340 1.533 2.529 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.144 1.492 0.065 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.662 0.565 0.195 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.386 2.695 0.634 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.871 3.609 0.462 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.141 2.694 -1.878 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.626 1.832 -1.702 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.450 4.024 -1.269 1.00 1.00 H new ATOM 0 HE3 LYS X 27 72.967 4.869 -1.500 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.666 4.830 -3.542 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.104 3.952 -3.752 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.634 3.132 -3.528 1.00 1.00 H new ATOM 461 N TYR X 28 74.143 -0.904 2.688 1.00 1.00 N ATOM 462 CA TYR X 28 74.696 -2.228 3.094 1.00 1.00 C ATOM 463 C TYR X 28 75.570 -2.771 1.959 1.00 1.00 C ATOM 464 O TYR X 28 76.570 -3.425 2.188 1.00 1.00 O ATOM 465 CB TYR X 28 73.548 -3.199 3.371 1.00 1.00 C ATOM 466 CG TYR X 28 72.677 -2.648 4.474 1.00 1.00 C ATOM 467 CD1 TYR X 28 71.606 -1.802 4.161 1.00 1.00 C ATOM 468 CD2 TYR X 28 72.937 -2.981 5.809 1.00 1.00 C ATOM 469 CE1 TYR X 28 70.796 -1.290 5.181 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.128 -2.468 6.830 1.00 1.00 C ATOM 471 CZ TYR X 28 71.057 -1.623 6.516 1.00 1.00 C ATOM 472 OH TYR X 28 70.259 -1.116 7.522 1.00 1.00 O ATOM 0 H TYR X 28 73.128 -0.867 2.596 1.00 1.00 H new ATOM 0 HA TYR X 28 75.295 -2.118 3.998 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.957 -3.348 2.467 1.00 1.00 H new ATOM 0 HB3 TYR X 28 73.943 -4.174 3.658 1.00 1.00 H new ATOM 0 HD1 TYR X 28 71.405 -1.544 3.132 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.762 -3.634 6.051 1.00 1.00 H new ATOM 0 HE1 TYR X 28 69.970 -0.638 4.939 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.330 -2.724 7.860 1.00 1.00 H new ATOM 0 HH TYR X 28 70.576 -1.446 8.389 1.00 1.00 H new ATOM 482 N ALA X 29 75.199 -2.504 0.736 1.00 1.00 N ATOM 483 CA ALA X 29 76.006 -3.000 -0.415 1.00 1.00 C ATOM 484 C ALA X 29 77.403 -2.377 -0.359 1.00 1.00 C ATOM 485 O ALA X 29 78.370 -2.959 -0.806 1.00 1.00 O ATOM 486 CB ALA X 29 75.325 -2.605 -1.726 1.00 1.00 C ATOM 0 H ALA X 29 74.371 -1.963 0.484 1.00 1.00 H new ATOM 0 HA ALA X 29 76.087 -4.086 -0.362 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.916 -2.968 -2.567 1.00 1.00 H new ATOM 0 HB2 ALA X 29 74.329 -3.045 -1.766 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.244 -1.519 -1.781 1.00 1.00 H new ATOM 492 N ASP X 30 77.517 -1.196 0.188 1.00 1.00 N ATOM 493 CA ASP X 30 78.851 -0.542 0.269 1.00 1.00 C ATOM 494 C ASP X 30 79.799 -1.433 1.070 1.00 1.00 C ATOM 495 O ASP X 30 80.914 -1.691 0.662 1.00 1.00 O ATOM 496 CB ASP X 30 78.711 0.811 0.972 1.00 1.00 C ATOM 497 CG ASP X 30 80.092 1.448 1.124 1.00 1.00 C ATOM 498 OD1 ASP X 30 81.011 0.988 0.467 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.205 2.390 1.892 1.00 1.00 O ATOM 0 H ASP X 30 76.744 -0.658 0.581 1.00 1.00 H new ATOM 0 HA ASP X 30 79.248 -0.392 -0.735 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.057 1.466 0.397 1.00 1.00 H new ATOM 0 HB3 ASP X 30 78.249 0.679 1.951 1.00 1.00 H new ATOM 504 N LEU X 31 79.373 -1.898 2.211 1.00 1.00 N ATOM 505 CA LEU X 31 80.262 -2.764 3.040 1.00 1.00 C ATOM 506 C LEU X 31 80.582 -4.038 2.258 1.00 1.00 C ATOM 507 O LEU X 31 81.709 -4.489 2.227 1.00 1.00 O ATOM 508 CB LEU X 31 79.543 -3.130 4.339 1.00 1.00 C ATOM 509 CG LEU X 31 78.893 -1.879 4.934 1.00 1.00 C ATOM 510 CD1 LEU X 31 78.456 -2.159 6.368 1.00 1.00 C ATOM 511 CD2 LEU X 31 79.889 -0.721 4.919 1.00 1.00 C ATOM 0 H LEU X 31 78.450 -1.717 2.606 1.00 1.00 H new ATOM 0 HA LEU X 31 81.185 -2.233 3.274 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.785 -3.889 4.146 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.250 -3.558 5.050 1.00 1.00 H new ATOM 0 HG LEU X 31 78.022 -1.611 4.337 1.00 1.00 H new ATOM 0 HD11 LEU X 31 77.994 -1.266 6.788 1.00 1.00 H new ATOM 0 HD12 LEU X 31 77.737 -2.978 6.376 1.00 1.00 H new ATOM 0 HD13 LEU X 31 79.325 -2.434 6.966 1.00 1.00 H new ATOM 0 HD21 LEU X 31 79.421 0.167 5.344 1.00 1.00 H new ATOM 0 HD22 LEU X 31 80.765 -0.987 5.510 1.00 1.00 H new ATOM 0 HD23 LEU X 31 80.192 -0.515 3.892 1.00 1.00 H new ATOM 523 N LEU X 32 79.604 -4.615 1.616 1.00 1.00 N ATOM 524 CA LEU X 32 79.861 -5.858 0.828 1.00 1.00 C ATOM 525 C LEU X 32 80.866 -5.544 -0.283 1.00 1.00 C ATOM 526 O LEU X 32 81.787 -6.297 -0.531 1.00 1.00 O ATOM 527 CB LEU X 32 78.550 -6.334 0.207 1.00 1.00 C ATOM 528 CG LEU X 32 77.610 -6.820 1.314 1.00 1.00 C ATOM 529 CD1 LEU X 32 76.198 -6.992 0.751 1.00 1.00 C ATOM 530 CD2 LEU X 32 78.104 -8.162 1.869 1.00 1.00 C ATOM 0 H LEU X 32 78.640 -4.282 1.602 1.00 1.00 H new ATOM 0 HA LEU X 32 80.262 -6.636 1.477 1.00 1.00 H new ATOM 0 HB2 LEU X 32 78.083 -5.522 -0.351 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.742 -7.139 -0.502 1.00 1.00 H new ATOM 0 HG LEU X 32 77.596 -6.083 2.117 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.531 -7.338 1.541 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.841 -6.037 0.367 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.215 -7.724 -0.056 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.430 -8.501 2.656 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.127 -8.901 1.068 1.00 1.00 H new ATOM 0 HD23 LEU X 32 79.107 -8.040 2.278 1.00 1.00 H new ATOM 542 N LYS X 33 80.710 -4.429 -0.941 1.00 1.00 N ATOM 543 CA LYS X 33 81.669 -4.054 -2.018 1.00 1.00 C ATOM 544 C LYS X 33 83.035 -3.757 -1.394 1.00 1.00 C ATOM 545 O LYS X 33 84.064 -4.025 -1.979 1.00 1.00 O ATOM 546 CB LYS X 33 81.160 -2.814 -2.753 1.00 1.00 C ATOM 547 CG LYS X 33 79.930 -3.184 -3.583 1.00 1.00 C ATOM 548 CD LYS X 33 79.367 -1.928 -4.251 1.00 1.00 C ATOM 549 CE LYS X 33 78.184 -2.308 -5.143 1.00 1.00 C ATOM 550 NZ LYS X 33 77.664 -1.090 -5.825 1.00 1.00 N ATOM 0 H LYS X 33 79.958 -3.759 -0.779 1.00 1.00 H new ATOM 0 HA LYS X 33 81.761 -4.877 -2.727 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.907 -2.032 -2.037 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.942 -2.414 -3.399 1.00 1.00 H new ATOM 0 HG2 LYS X 33 80.197 -3.922 -4.339 1.00 1.00 H new ATOM 0 HG3 LYS X 33 79.172 -3.640 -2.946 1.00 1.00 H new ATOM 0 HD2 LYS X 33 79.049 -1.212 -3.493 1.00 1.00 H new ATOM 0 HD3 LYS X 33 80.141 -1.441 -4.844 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.495 -3.047 -5.882 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.397 -2.767 -4.545 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 77.015 -1.370 -6.588 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 77.155 -0.498 -5.138 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 78.458 -0.551 -6.226 1.00 1.00 H new ATOM 564 N PHE X 34 83.052 -3.188 -0.214 1.00 1.00 N ATOM 565 CA PHE X 34 84.355 -2.866 0.434 1.00 1.00 C ATOM 566 C PHE X 34 85.176 -4.142 0.612 1.00 1.00 C ATOM 567 O PHE X 34 86.339 -4.197 0.262 1.00 1.00 O ATOM 568 CB PHE X 34 84.094 -2.234 1.803 1.00 1.00 C ATOM 569 CG PHE X 34 85.354 -2.293 2.632 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.439 -1.463 2.324 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.438 -3.181 3.712 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.607 -1.521 3.094 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.605 -3.239 4.481 1.00 1.00 C ATOM 574 CZ PHE X 34 87.690 -2.410 4.173 1.00 1.00 C ATOM 0 H PHE X 34 82.223 -2.935 0.324 1.00 1.00 H new ATOM 0 HA PHE X 34 84.909 -2.169 -0.195 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.773 -1.199 1.683 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.286 -2.761 2.311 1.00 1.00 H new ATOM 0 HD1 PHE X 34 86.375 -0.778 1.492 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.602 -3.821 3.951 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.443 -0.881 2.856 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.669 -3.924 5.313 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.591 -2.456 4.767 1.00 1.00 H new ATOM 584 N PHE X 35 84.581 -5.170 1.147 1.00 1.00 N ATOM 585 CA PHE X 35 85.326 -6.444 1.338 1.00 1.00 C ATOM 586 C PHE X 35 85.735 -7.009 -0.022 1.00 1.00 C ATOM 587 O PHE X 35 86.842 -7.474 -0.205 1.00 1.00 O ATOM 588 CB PHE X 35 84.438 -7.455 2.066 1.00 1.00 C ATOM 589 CG PHE X 35 84.396 -7.122 3.538 1.00 1.00 C ATOM 590 CD1 PHE X 35 85.506 -7.396 4.347 1.00 1.00 C ATOM 591 CD2 PHE X 35 83.249 -6.544 4.095 1.00 1.00 C ATOM 592 CE1 PHE X 35 85.469 -7.089 5.713 1.00 1.00 C ATOM 593 CE2 PHE X 35 83.213 -6.237 5.461 1.00 1.00 C ATOM 594 CZ PHE X 35 84.323 -6.510 6.269 1.00 1.00 C ATOM 0 H PHE X 35 83.610 -5.183 1.460 1.00 1.00 H new ATOM 0 HA PHE X 35 86.219 -6.253 1.933 1.00 1.00 H new ATOM 0 HB2 PHE X 35 83.431 -7.436 1.649 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.824 -8.464 1.922 1.00 1.00 H new ATOM 0 HD1 PHE X 35 86.390 -7.844 3.918 1.00 1.00 H new ATOM 0 HD2 PHE X 35 82.392 -6.335 3.472 1.00 1.00 H new ATOM 0 HE1 PHE X 35 86.325 -7.299 6.337 1.00 1.00 H new ATOM 0 HE2 PHE X 35 82.329 -5.790 5.891 1.00 1.00 H new ATOM 0 HZ PHE X 35 84.295 -6.274 7.322 1.00 1.00 H new ATOM 604 N ASP X 36 84.845 -6.984 -0.975 1.00 1.00 N ATOM 605 CA ASP X 36 85.183 -7.531 -2.318 1.00 1.00 C ATOM 606 C ASP X 36 86.315 -6.705 -2.929 1.00 1.00 C ATOM 607 O ASP X 36 87.226 -7.237 -3.529 1.00 1.00 O ATOM 608 CB ASP X 36 83.948 -7.456 -3.225 1.00 1.00 C ATOM 609 CG ASP X 36 83.059 -8.690 -3.001 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.455 -9.543 -2.224 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.999 -8.754 -3.603 1.00 1.00 O ATOM 0 H ASP X 36 83.901 -6.609 -0.882 1.00 1.00 H new ATOM 0 HA ASP X 36 85.500 -8.570 -2.221 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.384 -6.548 -3.012 1.00 1.00 H new ATOM 0 HB3 ASP X 36 84.256 -7.403 -4.269 1.00 1.00 H new ATOM 616 N PHE X 37 86.272 -5.412 -2.773 1.00 1.00 N ATOM 617 CA PHE X 37 87.351 -4.553 -3.336 1.00 1.00 C ATOM 618 C PHE X 37 88.695 -4.923 -2.692 1.00 1.00 C ATOM 619 O PHE X 37 89.707 -5.083 -3.358 1.00 1.00 O ATOM 620 CB PHE X 37 87.032 -3.083 -3.051 1.00 1.00 C ATOM 621 CG PHE X 37 88.173 -2.217 -3.532 1.00 1.00 C ATOM 622 CD1 PHE X 37 88.501 -2.180 -4.892 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.905 -1.451 -2.615 1.00 1.00 C ATOM 624 CE1 PHE X 37 89.561 -1.380 -5.336 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.963 -0.651 -3.059 1.00 1.00 C ATOM 626 CZ PHE X 37 90.291 -0.614 -4.419 1.00 1.00 C ATOM 0 H PHE X 37 85.534 -4.911 -2.278 1.00 1.00 H new ATOM 0 HA PHE X 37 87.414 -4.709 -4.413 1.00 1.00 H new ATOM 0 HB2 PHE X 37 86.108 -2.797 -3.553 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.874 -2.935 -1.983 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.936 -2.769 -5.600 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.652 -1.478 -1.565 1.00 1.00 H new ATOM 0 HE1 PHE X 37 89.815 -1.354 -6.385 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.527 -0.061 -2.352 1.00 1.00 H new ATOM 0 HZ PHE X 37 91.107 0.005 -4.761 1.00 1.00 H new ATOM 636 N VAL X 38 88.714 -5.062 -1.398 1.00 1.00 N ATOM 637 CA VAL X 38 89.984 -5.410 -0.705 1.00 1.00 C ATOM 638 C VAL X 38 90.521 -6.724 -1.277 1.00 1.00 C ATOM 639 O VAL X 38 91.711 -6.889 -1.461 1.00 1.00 O ATOM 640 CB VAL X 38 89.725 -5.569 0.794 1.00 1.00 C ATOM 641 CG1 VAL X 38 91.041 -5.883 1.507 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.140 -4.269 1.354 1.00 1.00 C ATOM 0 H VAL X 38 87.904 -4.950 -0.789 1.00 1.00 H new ATOM 0 HA VAL X 38 90.716 -4.617 -0.858 1.00 1.00 H new ATOM 0 HB VAL X 38 89.019 -6.384 0.956 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.858 -5.997 2.575 1.00 1.00 H new ATOM 0 HG12 VAL X 38 91.458 -6.808 1.110 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.746 -5.068 1.344 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.956 -4.383 2.422 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.845 -3.454 1.193 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.202 -4.044 0.846 1.00 1.00 H new ATOM 652 N LYS X 39 89.657 -7.661 -1.554 1.00 1.00 N ATOM 653 CA LYS X 39 90.122 -8.960 -2.115 1.00 1.00 C ATOM 654 C LYS X 39 90.374 -8.808 -3.620 1.00 1.00 C ATOM 655 O LYS X 39 91.081 -9.581 -4.228 1.00 1.00 O ATOM 656 CB LYS X 39 89.058 -10.032 -1.882 1.00 1.00 C ATOM 657 CG LYS X 39 88.996 -10.374 -0.392 1.00 1.00 C ATOM 658 CD LYS X 39 87.927 -11.444 -0.158 1.00 1.00 C ATOM 659 CE LYS X 39 87.817 -11.737 1.339 1.00 1.00 C ATOM 660 NZ LYS X 39 86.768 -12.770 1.566 1.00 1.00 N ATOM 0 H LYS X 39 88.649 -7.583 -1.416 1.00 1.00 H new ATOM 0 HA LYS X 39 91.047 -9.256 -1.619 1.00 1.00 H new ATOM 0 HB2 LYS X 39 88.087 -9.676 -2.225 1.00 1.00 H new ATOM 0 HB3 LYS X 39 89.293 -10.925 -2.461 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.966 -10.733 -0.050 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.764 -9.481 0.188 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.966 -11.104 -0.544 1.00 1.00 H new ATOM 0 HD3 LYS X 39 88.184 -12.354 -0.700 1.00 1.00 H new ATOM 0 HE2 LYS X 39 88.775 -12.086 1.724 1.00 1.00 H new ATOM 0 HE3 LYS X 39 87.568 -10.825 1.882 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 86.692 -12.970 2.584 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 85.854 -12.420 1.213 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 87.024 -13.642 1.060 1.00 1.00 H new ATOM 674 N ASP X 40 89.802 -7.810 -4.223 1.00 1.00 N ATOM 675 CA ASP X 40 90.007 -7.598 -5.681 1.00 1.00 C ATOM 676 C ASP X 40 91.458 -7.191 -5.936 1.00 1.00 C ATOM 677 O ASP X 40 91.955 -7.282 -7.041 1.00 1.00 O ATOM 678 CB ASP X 40 89.076 -6.485 -6.177 1.00 1.00 C ATOM 679 CG ASP X 40 87.626 -6.968 -6.130 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.431 -8.164 -5.988 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.738 -6.138 -6.232 1.00 1.00 O ATOM 0 H ASP X 40 89.197 -7.127 -3.768 1.00 1.00 H new ATOM 0 HA ASP X 40 89.785 -8.522 -6.214 1.00 1.00 H new ATOM 0 HB2 ASP X 40 89.194 -5.596 -5.557 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.342 -6.201 -7.195 1.00 1.00 H new ATOM 686 N THR X 41 92.134 -6.714 -4.931 1.00 1.00 N ATOM 687 CA THR X 41 93.540 -6.264 -5.140 1.00 1.00 C ATOM 688 C THR X 41 94.374 -7.392 -5.747 1.00 1.00 C ATOM 689 O THR X 41 95.149 -7.177 -6.652 1.00 1.00 O ATOM 690 CB THR X 41 94.152 -5.866 -3.788 1.00 1.00 C ATOM 691 OG1 THR X 41 93.265 -4.992 -3.105 1.00 1.00 O ATOM 692 CG2 THR X 41 95.493 -5.165 -4.011 1.00 1.00 C ATOM 0 H THR X 41 91.779 -6.616 -3.980 1.00 1.00 H new ATOM 0 HA THR X 41 93.539 -5.412 -5.820 1.00 1.00 H new ATOM 0 HB THR X 41 94.313 -6.762 -3.189 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.693 -5.512 -2.503 1.00 1.00 H new ATOM 0 HG21 THR X 41 95.922 -4.885 -3.049 1.00 1.00 H new ATOM 0 HG22 THR X 41 96.174 -5.839 -4.530 1.00 1.00 H new ATOM 0 HG23 THR X 41 95.340 -4.270 -4.614 1.00 1.00 H new ATOM 700 N CYS X 42 94.219 -8.578 -5.257 1.00 1.00 N ATOM 701 CA CYS X 42 95.001 -9.737 -5.800 1.00 1.00 C ATOM 702 C CYS X 42 94.048 -10.865 -6.207 1.00 1.00 C ATOM 703 O CYS X 42 93.964 -11.224 -7.368 1.00 1.00 O ATOM 704 CB CYS X 42 95.973 -10.240 -4.736 1.00 1.00 C ATOM 705 SG CYS X 42 97.657 -9.761 -5.142 1.00 1.00 S ATOM 0 H CYS X 42 93.581 -8.809 -4.496 1.00 1.00 H new ATOM 0 HA CYS X 42 95.561 -9.413 -6.677 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.698 -9.833 -3.763 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.906 -11.325 -4.658 1.00 1.00 H new ATOM 0 HG CYS X 42 98.466 -10.197 -4.223 1.00 1.00 H new ATOM 711 N PRO X 43 93.327 -11.422 -5.261 1.00 1.00 N ATOM 712 CA PRO X 43 92.368 -12.523 -5.528 1.00 1.00 C ATOM 713 C PRO X 43 91.554 -12.291 -6.804 1.00 1.00 C ATOM 714 O PRO X 43 91.387 -13.187 -7.608 1.00 1.00 O ATOM 715 CB PRO X 43 91.447 -12.485 -4.306 1.00 1.00 C ATOM 716 CG PRO X 43 92.231 -11.858 -3.204 1.00 1.00 C ATOM 717 CD PRO X 43 93.362 -11.085 -3.825 1.00 1.00 C ATOM 0 HA PRO X 43 92.874 -13.477 -5.678 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.546 -11.909 -4.517 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.126 -13.490 -4.031 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.597 -11.198 -2.612 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.616 -12.621 -2.527 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.237 -10.013 -3.670 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.318 -11.362 -3.380 1.00 1.00 H new ATOM 725 N TRP X 44 91.067 -11.098 -7.009 1.00 1.00 N ATOM 726 CA TRP X 44 90.284 -10.811 -8.245 1.00 1.00 C ATOM 727 C TRP X 44 90.666 -9.427 -8.773 1.00 1.00 C ATOM 728 O TRP X 44 91.790 -8.997 -8.650 1.00 1.00 O ATOM 729 CB TRP X 44 88.790 -10.853 -7.930 1.00 1.00 C ATOM 730 CG TRP X 44 88.468 -12.117 -7.208 1.00 1.00 C ATOM 731 CD1 TRP X 44 88.757 -13.362 -7.653 1.00 1.00 C ATOM 732 CD2 TRP X 44 87.801 -12.285 -5.925 1.00 1.00 C ATOM 733 NE1 TRP X 44 88.309 -14.283 -6.723 1.00 1.00 N ATOM 734 CE2 TRP X 44 87.712 -13.668 -5.641 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.270 -11.380 -4.988 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.117 -14.137 -4.469 1.00 1.00 C ATOM 737 CZ3 TRP X 44 86.669 -11.848 -3.808 1.00 1.00 C ATOM 738 CH2 TRP X 44 86.593 -13.224 -3.549 1.00 1.00 C ATOM 0 H TRP X 44 91.178 -10.308 -6.373 1.00 1.00 H new ATOM 0 HA TRP X 44 90.507 -11.563 -9.002 1.00 1.00 H new ATOM 0 HB2 TRP X 44 88.512 -9.993 -7.321 1.00 1.00 H new ATOM 0 HB3 TRP X 44 88.212 -10.791 -8.852 1.00 1.00 H new ATOM 0 HD1 TRP X 44 89.255 -13.598 -8.582 1.00 1.00 H new ATOM 0 HE1 TRP X 44 88.408 -15.293 -6.824 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.325 -10.318 -5.177 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.062 -15.198 -4.274 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 86.263 -11.144 -3.096 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.130 -13.578 -2.640 1.00 1.00 H new ATOM 749 N PHE X 45 89.738 -8.729 -9.356 1.00 1.00 N ATOM 750 CA PHE X 45 90.040 -7.372 -9.899 1.00 1.00 C ATOM 751 C PHE X 45 88.748 -6.716 -10.405 1.00 1.00 C ATOM 752 O PHE X 45 88.493 -5.555 -10.149 1.00 1.00 O ATOM 753 CB PHE X 45 91.031 -7.488 -11.063 1.00 1.00 C ATOM 754 CG PHE X 45 92.209 -6.587 -10.813 1.00 1.00 C ATOM 755 CD1 PHE X 45 92.130 -5.226 -11.129 1.00 1.00 C ATOM 756 CD2 PHE X 45 93.387 -7.110 -10.264 1.00 1.00 C ATOM 757 CE1 PHE X 45 93.226 -4.388 -10.895 1.00 1.00 C ATOM 758 CE2 PHE X 45 94.483 -6.272 -10.031 1.00 1.00 C ATOM 759 CZ PHE X 45 94.403 -4.911 -10.346 1.00 1.00 C ATOM 0 H PHE X 45 88.775 -9.039 -9.483 1.00 1.00 H new ATOM 0 HA PHE X 45 90.475 -6.763 -9.107 1.00 1.00 H new ATOM 0 HB2 PHE X 45 91.365 -8.520 -11.168 1.00 1.00 H new ATOM 0 HB3 PHE X 45 90.543 -7.214 -11.998 1.00 1.00 H new ATOM 0 HD1 PHE X 45 91.223 -4.822 -11.554 1.00 1.00 H new ATOM 0 HD2 PHE X 45 93.449 -8.160 -10.021 1.00 1.00 H new ATOM 0 HE1 PHE X 45 93.164 -3.338 -11.138 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.391 -6.676 -9.608 1.00 1.00 H new ATOM 0 HZ PHE X 45 95.249 -4.264 -10.166 1.00 1.00 H new ATOM 769 N PRO X 46 87.941 -7.451 -11.133 1.00 1.00 N ATOM 770 CA PRO X 46 86.666 -6.923 -11.703 1.00 1.00 C ATOM 771 C PRO X 46 85.718 -6.405 -10.620 1.00 1.00 C ATOM 772 O PRO X 46 85.591 -6.992 -9.565 1.00 1.00 O ATOM 773 CB PRO X 46 86.048 -8.134 -12.416 1.00 1.00 C ATOM 774 CG PRO X 46 87.172 -9.091 -12.632 1.00 1.00 C ATOM 775 CD PRO X 46 88.144 -8.864 -11.494 1.00 1.00 C ATOM 0 HA PRO X 46 86.844 -6.074 -12.363 1.00 1.00 H new ATOM 0 HB2 PRO X 46 85.261 -8.585 -11.812 1.00 1.00 H new ATOM 0 HB3 PRO X 46 85.595 -7.842 -13.363 1.00 1.00 H new ATOM 0 HG2 PRO X 46 86.812 -10.120 -12.637 1.00 1.00 H new ATOM 0 HG3 PRO X 46 87.652 -8.917 -13.595 1.00 1.00 H new ATOM 0 HD2 PRO X 46 87.936 -9.525 -10.653 1.00 1.00 H new ATOM 0 HD3 PRO X 46 89.172 -9.054 -11.802 1.00 1.00 H new ATOM 783 N GLN X 47 85.052 -5.308 -10.879 1.00 1.00 N ATOM 784 CA GLN X 47 84.111 -4.743 -9.869 1.00 1.00 C ATOM 785 C GLN X 47 82.673 -5.011 -10.306 1.00 1.00 C ATOM 786 O GLN X 47 82.403 -5.234 -11.469 1.00 1.00 O ATOM 787 CB GLN X 47 84.339 -3.236 -9.751 1.00 1.00 C ATOM 788 CG GLN X 47 85.761 -2.968 -9.249 1.00 1.00 C ATOM 789 CD GLN X 47 85.918 -3.524 -7.833 1.00 1.00 C ATOM 790 OE1 GLN X 47 84.981 -3.515 -7.059 1.00 1.00 O ATOM 791 NE2 GLN X 47 87.069 -4.009 -7.458 1.00 1.00 N ATOM 0 H GLN X 47 85.121 -4.779 -11.749 1.00 1.00 H new ATOM 0 HA GLN X 47 84.288 -5.214 -8.902 1.00 1.00 H new ATOM 0 HB2 GLN X 47 84.189 -2.759 -10.719 1.00 1.00 H new ATOM 0 HB3 GLN X 47 83.612 -2.801 -9.065 1.00 1.00 H new ATOM 0 HG2 GLN X 47 86.487 -3.433 -9.916 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.964 -1.897 -9.255 1.00 1.00 H new ATOM 0 HE21 GLN X 47 87.855 -4.017 -8.108 1.00 1.00 H new ATOM 0 HE22 GLN X 47 87.183 -4.381 -6.515 1.00 1.00 H new ATOM 800 N GLU X 48 81.749 -4.995 -9.381 1.00 1.00 N ATOM 801 CA GLU X 48 80.322 -5.250 -9.737 1.00 1.00 C ATOM 802 C GLU X 48 79.425 -4.236 -9.026 1.00 1.00 C ATOM 803 O GLU X 48 79.695 -3.822 -7.918 1.00 1.00 O ATOM 804 CB GLU X 48 79.939 -6.669 -9.309 1.00 1.00 C ATOM 805 CG GLU X 48 80.139 -6.823 -7.799 1.00 1.00 C ATOM 806 CD GLU X 48 79.782 -8.249 -7.379 1.00 1.00 C ATOM 807 OE1 GLU X 48 79.261 -8.978 -8.208 1.00 1.00 O ATOM 808 OE2 GLU X 48 80.037 -8.590 -6.235 1.00 1.00 O ATOM 0 H GLU X 48 81.922 -4.816 -8.392 1.00 1.00 H new ATOM 0 HA GLU X 48 80.191 -5.148 -10.814 1.00 1.00 H new ATOM 0 HB2 GLU X 48 78.900 -6.870 -9.571 1.00 1.00 H new ATOM 0 HB3 GLU X 48 80.549 -7.398 -9.843 1.00 1.00 H new ATOM 0 HG2 GLU X 48 81.173 -6.603 -7.534 1.00 1.00 H new ATOM 0 HG3 GLU X 48 79.514 -6.108 -7.264 1.00 1.00 H new ATOM 815 N GLY X 49 78.352 -3.838 -9.655 1.00 1.00 N ATOM 816 CA GLY X 49 77.434 -2.856 -9.015 1.00 1.00 C ATOM 817 C GLY X 49 77.933 -1.441 -9.295 1.00 1.00 C ATOM 818 O GLY X 49 78.628 -1.206 -10.264 1.00 1.00 O ATOM 0 H GLY X 49 78.073 -4.151 -10.585 1.00 1.00 H new ATOM 0 HA2 GLY X 49 76.423 -2.980 -9.402 1.00 1.00 H new ATOM 0 HA3 GLY X 49 77.388 -3.031 -7.940 1.00 1.00 H new ATOM 822 N THR X 50 77.579 -0.498 -8.462 1.00 1.00 N ATOM 823 CA THR X 50 78.029 0.906 -8.679 1.00 1.00 C ATOM 824 C THR X 50 78.666 1.442 -7.400 1.00 1.00 C ATOM 825 O THR X 50 78.117 1.327 -6.324 1.00 1.00 O ATOM 826 CB THR X 50 76.826 1.776 -9.058 1.00 1.00 C ATOM 827 OG1 THR X 50 76.232 1.268 -10.244 1.00 1.00 O ATOM 828 CG2 THR X 50 77.290 3.214 -9.293 1.00 1.00 C ATOM 0 H THR X 50 76.995 -0.642 -7.638 1.00 1.00 H new ATOM 0 HA THR X 50 78.762 0.931 -9.485 1.00 1.00 H new ATOM 0 HB THR X 50 76.095 1.760 -8.250 1.00 1.00 H new ATOM 0 HG1 THR X 50 75.461 1.822 -10.487 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.434 3.833 -9.563 1.00 1.00 H new ATOM 0 HG22 THR X 50 77.746 3.602 -8.383 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.021 3.233 -10.102 1.00 1.00 H new ATOM 836 N ILE X 51 79.818 2.040 -7.509 1.00 1.00 N ATOM 837 CA ILE X 51 80.483 2.599 -6.303 1.00 1.00 C ATOM 838 C ILE X 51 80.007 4.033 -6.062 1.00 1.00 C ATOM 839 O ILE X 51 80.015 4.857 -6.953 1.00 1.00 O ATOM 840 CB ILE X 51 82.005 2.593 -6.503 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.591 1.279 -5.970 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.636 3.783 -5.770 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.918 1.442 -4.477 1.00 1.00 C ATOM 0 H ILE X 51 80.328 2.166 -8.383 1.00 1.00 H new ATOM 0 HA ILE X 51 80.226 1.985 -5.439 1.00 1.00 H new ATOM 0 HB ILE X 51 82.226 2.678 -7.567 1.00 1.00 H new ATOM 0 HG12 ILE X 51 81.880 0.465 -6.112 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.491 1.016 -6.525 1.00 1.00 H new ATOM 0 HG21 ILE X 51 83.716 3.770 -5.918 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.227 4.713 -6.166 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.415 3.713 -4.705 1.00 1.00 H new ATOM 0 HD11 ILE X 51 83.335 0.511 -4.092 1.00 1.00 H new ATOM 0 HD12 ILE X 51 83.644 2.245 -4.349 1.00 1.00 H new ATOM 0 HD13 ILE X 51 82.007 1.685 -3.930 1.00 1.00 H new ATOM 855 N ASP X 52 79.628 4.343 -4.853 1.00 1.00 N ATOM 856 CA ASP X 52 79.182 5.731 -4.544 1.00 1.00 C ATOM 857 C ASP X 52 80.375 6.536 -4.011 1.00 1.00 C ATOM 858 O ASP X 52 81.049 6.125 -3.086 1.00 1.00 O ATOM 859 CB ASP X 52 78.087 5.695 -3.482 1.00 1.00 C ATOM 860 CG ASP X 52 77.313 7.014 -3.502 1.00 1.00 C ATOM 861 OD1 ASP X 52 77.850 7.987 -4.006 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.195 7.028 -3.015 1.00 1.00 O ATOM 0 H ASP X 52 79.608 3.695 -4.065 1.00 1.00 H new ATOM 0 HA ASP X 52 78.793 6.197 -5.449 1.00 1.00 H new ATOM 0 HB2 ASP X 52 77.411 4.861 -3.670 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.526 5.533 -2.497 1.00 1.00 H new ATOM 867 N ILE X 53 80.643 7.675 -4.588 1.00 1.00 N ATOM 868 CA ILE X 53 81.794 8.499 -4.115 1.00 1.00 C ATOM 869 C ILE X 53 81.760 8.595 -2.588 1.00 1.00 C ATOM 870 O ILE X 53 82.731 8.950 -1.955 1.00 1.00 O ATOM 871 CB ILE X 53 81.692 9.906 -4.712 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.902 9.836 -6.226 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.760 10.807 -4.092 1.00 1.00 C ATOM 874 CD1 ILE X 53 81.434 11.142 -6.873 1.00 1.00 C ATOM 0 H ILE X 53 80.116 8.072 -5.366 1.00 1.00 H new ATOM 0 HA ILE X 53 82.727 8.033 -4.431 1.00 1.00 H new ATOM 0 HB ILE X 53 80.705 10.316 -4.500 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.955 9.665 -6.449 1.00 1.00 H new ATOM 0 HG13 ILE X 53 81.348 8.994 -6.641 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.685 11.807 -4.519 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.610 10.860 -3.014 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.748 10.397 -4.301 1.00 1.00 H new ATOM 0 HD11 ILE X 53 81.585 11.088 -7.951 1.00 1.00 H new ATOM 0 HD12 ILE X 53 80.375 11.294 -6.662 1.00 1.00 H new ATOM 0 HD13 ILE X 53 82.008 11.975 -6.467 1.00 1.00 H new ATOM 886 N LYS X 54 80.648 8.283 -1.990 1.00 1.00 N ATOM 887 CA LYS X 54 80.556 8.346 -0.505 1.00 1.00 C ATOM 888 C LYS X 54 81.472 7.288 0.112 1.00 1.00 C ATOM 889 O LYS X 54 82.050 7.489 1.162 1.00 1.00 O ATOM 890 CB LYS X 54 79.109 8.096 -0.070 1.00 1.00 C ATOM 891 CG LYS X 54 78.224 9.259 -0.526 1.00 1.00 C ATOM 892 CD LYS X 54 78.295 10.398 0.497 1.00 1.00 C ATOM 893 CE LYS X 54 77.383 11.540 0.053 1.00 1.00 C ATOM 894 NZ LYS X 54 77.511 12.674 1.012 1.00 1.00 N ATOM 0 H LYS X 54 79.796 7.986 -2.465 1.00 1.00 H new ATOM 0 HA LYS X 54 80.869 9.333 -0.164 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.747 7.161 -0.498 1.00 1.00 H new ATOM 0 HB3 LYS X 54 79.058 7.991 1.014 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.550 9.615 -1.503 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.193 8.922 -0.637 1.00 1.00 H new ATOM 0 HD2 LYS X 54 77.992 10.038 1.480 1.00 1.00 H new ATOM 0 HD3 LYS X 54 79.321 10.753 0.591 1.00 1.00 H new ATOM 0 HE2 LYS X 54 77.652 11.866 -0.952 1.00 1.00 H new ATOM 0 HE3 LYS X 54 76.348 11.199 0.011 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 76.891 13.454 0.713 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 77.234 12.357 1.963 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 78.497 13.003 1.030 1.00 1.00 H new ATOM 908 N PHE X 55 81.590 6.153 -0.521 1.00 1.00 N ATOM 909 CA PHE X 55 82.456 5.074 0.034 1.00 1.00 C ATOM 910 C PHE X 55 83.905 5.322 -0.369 1.00 1.00 C ATOM 911 O PHE X 55 84.814 4.695 0.139 1.00 1.00 O ATOM 912 CB PHE X 55 81.990 3.721 -0.509 1.00 1.00 C ATOM 913 CG PHE X 55 80.478 3.714 -0.644 1.00 1.00 C ATOM 914 CD1 PHE X 55 79.684 4.370 0.303 1.00 1.00 C ATOM 915 CD2 PHE X 55 79.880 3.050 -1.722 1.00 1.00 C ATOM 916 CE1 PHE X 55 78.291 4.362 0.174 1.00 1.00 C ATOM 917 CE2 PHE X 55 78.486 3.042 -1.852 1.00 1.00 C ATOM 918 CZ PHE X 55 77.691 3.699 -0.905 1.00 1.00 C ATOM 0 H PHE X 55 81.124 5.926 -1.399 1.00 1.00 H new ATOM 0 HA PHE X 55 82.384 5.071 1.122 1.00 1.00 H new ATOM 0 HB2 PHE X 55 82.452 3.529 -1.478 1.00 1.00 H new ATOM 0 HB3 PHE X 55 82.308 2.921 0.160 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.146 4.883 1.134 1.00 1.00 H new ATOM 0 HD2 PHE X 55 80.494 2.544 -2.453 1.00 1.00 H new ATOM 0 HE1 PHE X 55 77.678 4.867 0.906 1.00 1.00 H new ATOM 0 HE2 PHE X 55 78.024 2.529 -2.683 1.00 1.00 H new ATOM 0 HZ PHE X 55 76.616 3.695 -1.006 1.00 1.00 H new ATOM 928 N TRP X 56 84.131 6.230 -1.275 1.00 1.00 N ATOM 929 CA TRP X 56 85.527 6.507 -1.707 1.00 1.00 C ATOM 930 C TRP X 56 86.364 6.953 -0.507 1.00 1.00 C ATOM 931 O TRP X 56 87.491 6.533 -0.335 1.00 1.00 O ATOM 932 CB TRP X 56 85.529 7.610 -2.769 1.00 1.00 C ATOM 933 CG TRP X 56 86.932 8.067 -3.017 1.00 1.00 C ATOM 934 CD1 TRP X 56 88.009 7.252 -3.104 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.427 9.423 -3.213 1.00 1.00 C ATOM 936 NE1 TRP X 56 89.133 8.022 -3.341 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.826 9.366 -3.417 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.804 10.684 -3.234 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.581 10.520 -3.634 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.560 11.847 -3.451 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.947 11.765 -3.652 1.00 1.00 C ATOM 0 H TRP X 56 83.412 6.790 -1.733 1.00 1.00 H new ATOM 0 HA TRP X 56 85.957 5.598 -2.127 1.00 1.00 H new ATOM 0 HB2 TRP X 56 85.088 7.239 -3.694 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.916 8.448 -2.438 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.993 6.177 -3.005 1.00 1.00 H new ATOM 0 HE1 TRP X 56 90.074 7.643 -3.447 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.737 10.758 -3.082 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.648 10.451 -3.787 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 87.072 12.810 -3.463 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.523 12.663 -3.820 1.00 1.00 H new ATOM 952 N ARG X 57 85.823 7.800 0.323 1.00 1.00 N ATOM 953 CA ARG X 57 86.589 8.269 1.512 1.00 1.00 C ATOM 954 C ARG X 57 86.867 7.083 2.436 1.00 1.00 C ATOM 955 O ARG X 57 87.944 6.951 2.984 1.00 1.00 O ATOM 956 CB ARG X 57 85.773 9.324 2.259 1.00 1.00 C ATOM 957 CG ARG X 57 85.745 10.619 1.444 1.00 1.00 C ATOM 958 CD ARG X 57 84.308 11.134 1.357 1.00 1.00 C ATOM 959 NE ARG X 57 83.791 11.404 2.728 1.00 1.00 N ATOM 960 CZ ARG X 57 82.505 11.482 2.937 1.00 1.00 C ATOM 961 NH1 ARG X 57 81.672 11.322 1.945 1.00 1.00 N ATOM 962 NH2 ARG X 57 82.054 11.720 4.138 1.00 1.00 N ATOM 0 H ARG X 57 84.884 8.188 0.230 1.00 1.00 H new ATOM 0 HA ARG X 57 87.534 8.706 1.190 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.758 8.964 2.424 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.209 9.509 3.241 1.00 1.00 H new ATOM 0 HG2 ARG X 57 86.384 11.369 1.910 1.00 1.00 H new ATOM 0 HG3 ARG X 57 86.140 10.441 0.444 1.00 1.00 H new ATOM 0 HD2 ARG X 57 84.273 12.044 0.758 1.00 1.00 H new ATOM 0 HD3 ARG X 57 83.677 10.399 0.857 1.00 1.00 H new ATOM 0 HE ARG X 57 84.442 11.528 3.503 1.00 1.00 H new ATOM 0 HH11 ARG X 57 82.026 11.136 1.007 1.00 1.00 H new ATOM 0 HH12 ARG X 57 80.667 11.383 2.108 1.00 1.00 H new ATOM 0 HH21 ARG X 57 82.706 11.845 4.912 1.00 1.00 H new ATOM 0 HH22 ARG X 57 81.049 11.781 4.303 1.00 1.00 H new ATOM 976 N ARG X 58 85.906 6.217 2.615 1.00 1.00 N ATOM 977 CA ARG X 58 86.125 5.042 3.503 1.00 1.00 C ATOM 978 C ARG X 58 87.115 4.079 2.844 1.00 1.00 C ATOM 979 O ARG X 58 88.049 3.613 3.464 1.00 1.00 O ATOM 980 CB ARG X 58 84.795 4.321 3.727 1.00 1.00 C ATOM 981 CG ARG X 58 83.896 5.176 4.624 1.00 1.00 C ATOM 982 CD ARG X 58 82.536 4.492 4.789 1.00 1.00 C ATOM 983 NE ARG X 58 82.713 3.209 5.527 1.00 1.00 N ATOM 984 CZ ARG X 58 81.775 2.303 5.495 1.00 1.00 C ATOM 985 NH1 ARG X 58 80.680 2.521 4.816 1.00 1.00 N ATOM 986 NH2 ARG X 58 81.928 1.181 6.143 1.00 1.00 N ATOM 0 H ARG X 58 84.982 6.273 2.186 1.00 1.00 H new ATOM 0 HA ARG X 58 86.526 5.380 4.458 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.304 4.136 2.772 1.00 1.00 H new ATOM 0 HB3 ARG X 58 84.969 3.349 4.189 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.365 5.316 5.598 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.766 6.166 4.188 1.00 1.00 H new ATOM 0 HD2 ARG X 58 81.852 5.145 5.331 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.090 4.304 3.812 1.00 1.00 H new ATOM 0 HE ARG X 58 83.568 3.039 6.057 1.00 1.00 H new ATOM 0 HH11 ARG X 58 80.559 3.399 4.311 1.00 1.00 H new ATOM 0 HH12 ARG X 58 79.946 1.813 4.791 1.00 1.00 H new ATOM 0 HH21 ARG X 58 82.782 1.012 6.675 1.00 1.00 H new ATOM 0 HH22 ARG X 58 81.194 0.473 6.117 1.00 1.00 H new ATOM 1000 N VAL X 59 86.918 3.778 1.589 1.00 1.00 N ATOM 1001 CA VAL X 59 87.848 2.846 0.892 1.00 1.00 C ATOM 1002 C VAL X 59 89.239 3.477 0.814 1.00 1.00 C ATOM 1003 O VAL X 59 90.236 2.843 1.095 1.00 1.00 O ATOM 1004 CB VAL X 59 87.331 2.572 -0.522 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.348 1.716 -1.281 1.00 1.00 C ATOM 1006 CG2 VAL X 59 85.996 1.827 -0.442 1.00 1.00 C ATOM 0 H VAL X 59 86.154 4.137 1.017 1.00 1.00 H new ATOM 0 HA VAL X 59 87.905 1.909 1.445 1.00 1.00 H new ATOM 0 HB VAL X 59 87.189 3.517 -1.046 1.00 1.00 H new ATOM 0 HG11 VAL X 59 87.980 1.521 -2.288 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.299 2.246 -1.339 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.491 0.771 -0.757 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.627 1.632 -1.449 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.138 0.882 0.082 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.271 2.436 0.098 1.00 1.00 H new ATOM 1016 N GLY X 60 89.312 4.722 0.433 1.00 1.00 N ATOM 1017 CA GLY X 60 90.638 5.393 0.333 1.00 1.00 C ATOM 1018 C GLY X 60 91.309 5.409 1.707 1.00 1.00 C ATOM 1019 O GLY X 60 92.479 5.111 1.840 1.00 1.00 O ATOM 0 H GLY X 60 88.511 5.304 0.187 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.269 4.869 -0.385 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.515 6.412 -0.035 1.00 1.00 H new ATOM 1023 N ASP X 61 90.579 5.753 2.731 1.00 1.00 N ATOM 1024 CA ASP X 61 91.178 5.787 4.094 1.00 1.00 C ATOM 1025 C ASP X 61 91.533 4.364 4.531 1.00 1.00 C ATOM 1026 O ASP X 61 92.529 4.140 5.191 1.00 1.00 O ATOM 1027 CB ASP X 61 90.167 6.393 5.079 1.00 1.00 C ATOM 1028 CG ASP X 61 90.265 7.929 5.051 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.223 8.428 4.487 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.379 8.571 5.590 1.00 1.00 O ATOM 0 H ASP X 61 89.594 6.012 2.683 1.00 1.00 H new ATOM 0 HA ASP X 61 92.082 6.396 4.081 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.157 6.079 4.816 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.362 6.026 6.086 1.00 1.00 H new ATOM 1035 N CYS X 62 90.725 3.405 4.174 1.00 1.00 N ATOM 1036 CA CYS X 62 91.017 1.999 4.575 1.00 1.00 C ATOM 1037 C CYS X 62 92.276 1.510 3.857 1.00 1.00 C ATOM 1038 O CYS X 62 93.163 0.939 4.459 1.00 1.00 O ATOM 1039 CB CYS X 62 89.833 1.107 4.195 1.00 1.00 C ATOM 1040 SG CYS X 62 88.392 1.560 5.192 1.00 1.00 S ATOM 0 H CYS X 62 89.876 3.533 3.623 1.00 1.00 H new ATOM 0 HA CYS X 62 91.177 1.955 5.652 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.605 1.219 3.135 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.086 0.059 4.358 1.00 1.00 H new ATOM 0 HG CYS X 62 87.857 2.644 4.714 1.00 1.00 H new ATOM 1046 N PHE X 63 92.364 1.736 2.576 1.00 1.00 N ATOM 1047 CA PHE X 63 93.570 1.292 1.821 1.00 1.00 C ATOM 1048 C PHE X 63 94.798 2.049 2.328 1.00 1.00 C ATOM 1049 O PHE X 63 95.868 1.493 2.466 1.00 1.00 O ATOM 1050 CB PHE X 63 93.374 1.567 0.330 1.00 1.00 C ATOM 1051 CG PHE X 63 92.904 0.307 -0.358 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.873 -0.456 0.203 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.502 -0.098 -1.558 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.438 -1.623 -0.436 1.00 1.00 C ATOM 1055 CE2 PHE X 63 93.067 -1.265 -2.196 1.00 1.00 C ATOM 1056 CZ PHE X 63 92.035 -2.028 -1.636 1.00 1.00 C ATOM 0 H PHE X 63 91.653 2.209 2.018 1.00 1.00 H new ATOM 0 HA PHE X 63 93.718 0.223 1.972 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.644 2.364 0.189 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.309 1.909 -0.113 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.413 -0.144 1.129 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.298 0.490 -1.991 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.642 -2.211 -0.003 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.528 -1.578 -3.121 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.700 -2.928 -2.129 1.00 1.00 H new ATOM 1066 N GLN X 64 94.652 3.317 2.602 1.00 1.00 N ATOM 1067 CA GLN X 64 95.811 4.110 3.094 1.00 1.00 C ATOM 1068 C GLN X 64 96.317 3.507 4.404 1.00 1.00 C ATOM 1069 O GLN X 64 97.504 3.468 4.662 1.00 1.00 O ATOM 1070 CB GLN X 64 95.373 5.558 3.329 1.00 1.00 C ATOM 1071 CG GLN X 64 96.590 6.405 3.703 1.00 1.00 C ATOM 1072 CD GLN X 64 96.208 7.887 3.680 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.231 8.263 3.065 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.945 8.749 4.326 1.00 1.00 N ATOM 0 H GLN X 64 93.780 3.837 2.506 1.00 1.00 H new ATOM 0 HA GLN X 64 96.610 4.090 2.353 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.901 5.957 2.431 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.629 5.600 4.125 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.949 6.127 4.694 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.405 6.218 3.004 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.766 8.432 4.842 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.700 9.739 4.314 1.00 1.00 H new ATOM 1083 N ASP X 65 95.428 3.043 5.239 1.00 1.00 N ATOM 1084 CA ASP X 65 95.867 2.448 6.532 1.00 1.00 C ATOM 1085 C ASP X 65 96.698 1.192 6.265 1.00 1.00 C ATOM 1086 O ASP X 65 97.772 1.021 6.807 1.00 1.00 O ATOM 1087 CB ASP X 65 94.632 2.073 7.361 1.00 1.00 C ATOM 1088 CG ASP X 65 94.076 3.320 8.064 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.808 4.290 8.168 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.930 3.283 8.480 1.00 1.00 O ATOM 0 H ASP X 65 94.420 3.050 5.082 1.00 1.00 H new ATOM 0 HA ASP X 65 96.472 3.172 7.078 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.869 1.638 6.716 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.895 1.316 8.099 1.00 1.00 H new ATOM 1095 N TYR X 66 96.216 0.320 5.424 1.00 1.00 N ATOM 1096 CA TYR X 66 96.979 -0.921 5.118 1.00 1.00 C ATOM 1097 C TYR X 66 98.316 -0.551 4.479 1.00 1.00 C ATOM 1098 O TYR X 66 99.322 -1.192 4.707 1.00 1.00 O ATOM 1099 CB TYR X 66 96.175 -1.797 4.153 1.00 1.00 C ATOM 1100 CG TYR X 66 95.020 -2.431 4.891 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.267 -3.399 5.872 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.704 -2.055 4.595 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.199 -3.992 6.556 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.636 -2.648 5.279 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.884 -3.616 6.260 1.00 1.00 C ATOM 1106 OH TYR X 66 91.831 -4.201 6.934 1.00 1.00 O ATOM 0 H TYR X 66 95.326 0.414 4.935 1.00 1.00 H new ATOM 0 HA TYR X 66 97.157 -1.473 6.041 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.804 -1.196 3.323 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.815 -2.569 3.726 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.282 -3.688 6.101 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.513 -1.308 3.839 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.390 -4.739 7.312 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.621 -2.359 5.050 1.00 1.00 H new ATOM 0 HH TYR X 66 90.986 -3.826 6.609 1.00 1.00 H new ATOM 1116 N TYR X 67 98.335 0.473 3.670 1.00 1.00 N ATOM 1117 CA TYR X 67 99.610 0.875 3.017 1.00 1.00 C ATOM 1118 C TYR X 67 100.635 1.274 4.079 1.00 1.00 C ATOM 1119 O TYR X 67 101.720 0.745 4.137 1.00 1.00 O ATOM 1120 CB TYR X 67 99.351 2.067 2.094 1.00 1.00 C ATOM 1121 CG TYR X 67 100.599 2.913 2.002 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.714 2.446 1.298 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.639 4.167 2.625 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.871 3.231 1.217 1.00 1.00 C ATOM 1125 CE2 TYR X 67 101.795 4.952 2.544 1.00 1.00 C ATOM 1126 CZ TYR X 67 102.911 4.485 1.840 1.00 1.00 C ATOM 1127 OH TYR X 67 104.050 5.259 1.760 1.00 1.00 O ATOM 0 H TYR X 67 97.525 1.046 3.434 1.00 1.00 H new ATOM 0 HA TYR X 67 99.998 0.036 2.439 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.062 1.717 1.103 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.522 2.663 2.476 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.683 1.480 0.817 1.00 1.00 H new ATOM 0 HD2 TYR X 67 99.778 4.528 3.168 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.732 2.870 0.674 1.00 1.00 H new ATOM 0 HE2 TYR X 67 101.826 5.919 3.025 1.00 1.00 H new ATOM 0 HH TYR X 67 103.910 6.099 2.245 1.00 1.00 H new ATOM 1137 N ASN X 68 100.297 2.199 4.924 1.00 1.00 N ATOM 1138 CA ASN X 68 101.251 2.624 5.983 1.00 1.00 C ATOM 1139 C ASN X 68 101.513 1.461 6.937 1.00 1.00 C ATOM 1140 O ASN X 68 102.603 1.290 7.444 1.00 1.00 O ATOM 1141 CB ASN X 68 100.663 3.805 6.761 1.00 1.00 C ATOM 1142 CG ASN X 68 100.767 5.075 5.915 1.00 1.00 C ATOM 1143 OD1 ASN X 68 99.764 5.633 5.513 1.00 1.00 O ATOM 1144 ND2 ASN X 68 101.942 5.560 5.625 1.00 1.00 N ATOM 0 H ASN X 68 99.399 2.682 4.929 1.00 1.00 H new ATOM 0 HA ASN X 68 102.190 2.928 5.520 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.621 3.607 7.012 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.198 3.937 7.702 1.00 1.00 H new ATOM 0 HD21 ASN X 68 102.019 6.407 5.061 1.00 1.00 H new ATOM 0 HD22 ASN X 68 102.784 5.093 5.962 1.00 1.00 H new ATOM 1151 N THR X 69 100.509 0.669 7.203 1.00 1.00 N ATOM 1152 CA THR X 69 100.694 -0.472 8.137 1.00 1.00 C ATOM 1153 C THR X 69 101.685 -1.473 7.555 1.00 1.00 C ATOM 1154 O THR X 69 102.566 -1.951 8.243 1.00 1.00 O ATOM 1155 CB THR X 69 99.347 -1.168 8.369 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.378 -0.204 8.753 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.492 -2.220 9.469 1.00 1.00 C ATOM 0 H THR X 69 99.571 0.765 6.813 1.00 1.00 H new ATOM 0 HA THR X 69 101.082 -0.095 9.083 1.00 1.00 H new ATOM 0 HB THR X 69 99.028 -1.656 7.448 1.00 1.00 H new ATOM 0 HG1 THR X 69 97.849 0.058 7.971 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.533 -2.712 9.631 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.234 -2.960 9.169 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.813 -1.739 10.393 1.00 1.00 H new ATOM 1165 N PHE X 70 101.538 -1.805 6.300 1.00 1.00 N ATOM 1166 CA PHE X 70 102.461 -2.791 5.669 1.00 1.00 C ATOM 1167 C PHE X 70 103.255 -2.121 4.554 1.00 1.00 C ATOM 1168 O PHE X 70 104.466 -2.207 4.509 1.00 1.00 O ATOM 1169 CB PHE X 70 101.638 -3.943 5.087 1.00 1.00 C ATOM 1170 CG PHE X 70 101.040 -4.761 6.210 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.865 -5.578 6.993 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.665 -4.704 6.468 1.00 1.00 C ATOM 1173 CE1 PHE X 70 101.315 -6.336 8.034 1.00 1.00 C ATOM 1174 CE2 PHE X 70 99.116 -5.462 7.509 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.941 -6.278 8.291 1.00 1.00 C ATOM 0 H PHE X 70 100.815 -1.434 5.683 1.00 1.00 H new ATOM 0 HA PHE X 70 103.154 -3.171 6.420 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.846 -3.551 4.449 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.269 -4.574 4.461 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.926 -5.623 6.794 1.00 1.00 H new ATOM 0 HD2 PHE X 70 99.028 -4.075 5.864 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.951 -6.965 8.638 1.00 1.00 H new ATOM 0 HE2 PHE X 70 98.056 -5.417 7.709 1.00 1.00 H new ATOM 0 HZ PHE X 70 99.517 -6.863 9.093 1.00 1.00 H new ATOM 1185 N GLY X 71 102.584 -1.466 3.647 1.00 1.00 N ATOM 1186 CA GLY X 71 103.302 -0.801 2.523 1.00 1.00 C ATOM 1187 C GLY X 71 102.487 -0.960 1.237 1.00 1.00 C ATOM 1188 O GLY X 71 101.352 -1.390 1.258 1.00 1.00 O ATOM 0 H GLY X 71 101.569 -1.362 3.636 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.450 0.256 2.745 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.291 -1.241 2.397 1.00 1.00 H new ATOM 1192 N PRO X 72 103.072 -0.616 0.126 1.00 1.00 N ATOM 1193 CA PRO X 72 102.403 -0.703 -1.200 1.00 1.00 C ATOM 1194 C PRO X 72 102.094 -2.148 -1.595 1.00 1.00 C ATOM 1195 O PRO X 72 101.233 -2.405 -2.408 1.00 1.00 O ATOM 1196 CB PRO X 72 103.405 -0.077 -2.183 1.00 1.00 C ATOM 1197 CG PRO X 72 104.473 0.560 -1.353 1.00 1.00 C ATOM 1198 CD PRO X 72 104.445 -0.117 0.011 1.00 1.00 C ATOM 0 HA PRO X 72 101.441 -0.191 -1.193 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.827 -0.835 -2.842 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.916 0.661 -2.818 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.449 0.439 -1.823 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.297 1.631 -1.255 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.171 -0.928 0.070 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.684 0.584 0.811 1.00 1.00 H new ATOM 1206 N GLU X 73 102.795 -3.093 -1.030 1.00 1.00 N ATOM 1207 CA GLU X 73 102.543 -4.519 -1.385 1.00 1.00 C ATOM 1208 C GLU X 73 101.073 -4.854 -1.140 1.00 1.00 C ATOM 1209 O GLU X 73 100.377 -5.314 -2.022 1.00 1.00 O ATOM 1210 CB GLU X 73 103.422 -5.423 -0.520 1.00 1.00 C ATOM 1211 CG GLU X 73 104.887 -5.263 -0.930 1.00 1.00 C ATOM 1212 CD GLU X 73 105.766 -6.144 -0.040 1.00 1.00 C ATOM 1213 OE1 GLU X 73 105.224 -6.789 0.842 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.966 -6.162 -0.260 1.00 1.00 O ATOM 0 H GLU X 73 103.530 -2.940 -0.339 1.00 1.00 H new ATOM 0 HA GLU X 73 102.781 -4.678 -2.437 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.299 -5.167 0.532 1.00 1.00 H new ATOM 0 HB3 GLU X 73 103.114 -6.462 -0.633 1.00 1.00 H new ATOM 0 HG2 GLU X 73 105.015 -5.542 -1.976 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.189 -4.220 -0.839 1.00 1.00 H new ATOM 1221 N LYS X 74 100.592 -4.616 0.044 1.00 1.00 N ATOM 1222 CA LYS X 74 99.164 -4.909 0.341 1.00 1.00 C ATOM 1223 C LYS X 74 98.271 -4.065 -0.559 1.00 1.00 C ATOM 1224 O LYS X 74 97.249 -4.519 -1.034 1.00 1.00 O ATOM 1225 CB LYS X 74 98.873 -4.584 1.807 1.00 1.00 C ATOM 1226 CG LYS X 74 99.671 -5.518 2.721 1.00 1.00 C ATOM 1227 CD LYS X 74 99.188 -6.960 2.541 1.00 1.00 C ATOM 1228 CE LYS X 74 99.528 -7.777 3.785 1.00 1.00 C ATOM 1229 NZ LYS X 74 98.897 -9.120 3.678 1.00 1.00 N ATOM 0 H LYS X 74 101.127 -4.230 0.822 1.00 1.00 H new ATOM 0 HA LYS X 74 98.963 -5.964 0.157 1.00 1.00 H new ATOM 0 HB2 LYS X 74 99.134 -3.547 2.016 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.807 -4.691 2.007 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.733 -5.449 2.488 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.553 -5.213 3.761 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.112 -6.974 2.368 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.658 -7.404 1.663 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.609 -7.877 3.884 1.00 1.00 H new ATOM 0 HE3 LYS X 74 99.172 -7.265 4.679 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 99.126 -9.680 4.524 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 97.865 -9.014 3.602 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 99.258 -9.607 2.833 1.00 1.00 H new ATOM 1243 N VAL X 75 98.640 -2.840 -0.789 1.00 1.00 N ATOM 1244 CA VAL X 75 97.807 -1.962 -1.655 1.00 1.00 C ATOM 1245 C VAL X 75 98.714 -0.993 -2.416 1.00 1.00 C ATOM 1246 O VAL X 75 98.888 0.144 -2.028 1.00 1.00 O ATOM 1247 CB VAL X 75 96.831 -1.171 -0.788 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.670 -2.078 -0.374 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.555 -0.666 0.461 1.00 1.00 C ATOM 0 H VAL X 75 99.484 -2.406 -0.415 1.00 1.00 H new ATOM 0 HA VAL X 75 97.249 -2.573 -2.365 1.00 1.00 H new ATOM 0 HB VAL X 75 96.446 -0.322 -1.353 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.972 -1.515 0.245 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.155 -2.440 -1.264 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.055 -2.926 0.192 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.859 -0.101 1.081 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.939 -1.515 1.027 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.383 -0.022 0.166 1.00 1.00 H new ATOM 1259 N PRO X 76 99.285 -1.446 -3.498 1.00 1.00 N ATOM 1260 CA PRO X 76 100.190 -0.615 -4.344 1.00 1.00 C ATOM 1261 C PRO X 76 99.508 0.658 -4.848 1.00 1.00 C ATOM 1262 O PRO X 76 98.306 0.708 -5.013 1.00 1.00 O ATOM 1263 CB PRO X 76 100.538 -1.536 -5.519 1.00 1.00 C ATOM 1264 CG PRO X 76 100.278 -2.920 -5.032 1.00 1.00 C ATOM 1265 CD PRO X 76 99.132 -2.805 -4.035 1.00 1.00 C ATOM 0 HA PRO X 76 101.061 -0.271 -3.786 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.927 -1.306 -6.392 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.579 -1.414 -5.818 1.00 1.00 H new ATOM 0 HG2 PRO X 76 100.013 -3.581 -5.857 1.00 1.00 H new ATOM 0 HG3 PRO X 76 101.166 -3.341 -4.560 1.00 1.00 H new ATOM 0 HD2 PRO X 76 98.164 -2.940 -4.518 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.205 -3.558 -3.250 1.00 1.00 H new ATOM 1273 N VAL X 77 100.268 1.693 -5.086 1.00 1.00 N ATOM 1274 CA VAL X 77 99.663 2.967 -5.576 1.00 1.00 C ATOM 1275 C VAL X 77 98.741 2.669 -6.760 1.00 1.00 C ATOM 1276 O VAL X 77 97.970 3.509 -7.189 1.00 1.00 O ATOM 1277 CB VAL X 77 100.774 3.921 -6.021 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.514 4.458 -4.795 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.760 3.168 -6.919 1.00 1.00 C ATOM 0 H VAL X 77 101.280 1.712 -4.963 1.00 1.00 H new ATOM 0 HA VAL X 77 99.088 3.429 -4.774 1.00 1.00 H new ATOM 0 HB VAL X 77 100.336 4.753 -6.572 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.304 5.137 -5.115 1.00 1.00 H new ATOM 0 HG12 VAL X 77 100.814 4.993 -4.153 1.00 1.00 H new ATOM 0 HG13 VAL X 77 101.952 3.627 -4.241 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.552 3.845 -7.237 1.00 1.00 H new ATOM 0 HG22 VAL X 77 102.195 2.336 -6.365 1.00 1.00 H new ATOM 0 HG23 VAL X 77 101.236 2.786 -7.795 1.00 1.00 H new ATOM 1289 N THR X 78 98.804 1.477 -7.286 1.00 1.00 N ATOM 1290 CA THR X 78 97.926 1.125 -8.435 1.00 1.00 C ATOM 1291 C THR X 78 96.463 1.207 -7.999 1.00 1.00 C ATOM 1292 O THR X 78 95.592 1.546 -8.775 1.00 1.00 O ATOM 1293 CB THR X 78 98.244 -0.299 -8.905 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.831 -0.451 -10.257 1.00 1.00 O ATOM 1295 CG2 THR X 78 97.511 -1.313 -8.025 1.00 1.00 C ATOM 0 H THR X 78 99.425 0.733 -6.970 1.00 1.00 H new ATOM 0 HA THR X 78 98.100 1.822 -9.254 1.00 1.00 H new ATOM 0 HB THR X 78 99.317 -0.474 -8.829 1.00 1.00 H new ATOM 0 HG1 THR X 78 96.853 -0.417 -10.306 1.00 1.00 H new ATOM 0 HG21 THR X 78 97.741 -2.323 -8.364 1.00 1.00 H new ATOM 0 HG22 THR X 78 97.832 -1.196 -6.990 1.00 1.00 H new ATOM 0 HG23 THR X 78 96.436 -1.144 -8.093 1.00 1.00 H new ATOM 1303 N ALA X 79 96.184 0.892 -6.762 1.00 1.00 N ATOM 1304 CA ALA X 79 94.776 0.941 -6.282 1.00 1.00 C ATOM 1305 C ALA X 79 94.226 2.354 -6.474 1.00 1.00 C ATOM 1306 O ALA X 79 93.100 2.540 -6.891 1.00 1.00 O ATOM 1307 CB ALA X 79 94.733 0.576 -4.796 1.00 1.00 C ATOM 0 H ALA X 79 96.871 0.603 -6.065 1.00 1.00 H new ATOM 0 HA ALA X 79 94.171 0.233 -6.849 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.703 0.611 -4.442 1.00 1.00 H new ATOM 0 HB2 ALA X 79 95.130 -0.429 -4.657 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.336 1.286 -4.229 1.00 1.00 H new ATOM 1313 N PHE X 80 95.011 3.351 -6.177 1.00 1.00 N ATOM 1314 CA PHE X 80 94.536 4.753 -6.348 1.00 1.00 C ATOM 1315 C PHE X 80 94.306 5.034 -7.834 1.00 1.00 C ATOM 1316 O PHE X 80 93.327 5.645 -8.217 1.00 1.00 O ATOM 1317 CB PHE X 80 95.588 5.716 -5.800 1.00 1.00 C ATOM 1318 CG PHE X 80 95.665 5.578 -4.299 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.329 4.484 -3.732 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.073 6.542 -3.475 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.401 4.353 -2.339 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.145 6.412 -2.083 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.808 5.318 -1.515 1.00 1.00 C ATOM 0 H PHE X 80 95.963 3.256 -5.823 1.00 1.00 H new ATOM 0 HA PHE X 80 93.601 4.891 -5.805 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.559 5.502 -6.246 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.333 6.741 -6.069 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.786 3.741 -4.368 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.561 7.386 -3.913 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.913 3.509 -1.901 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.689 7.156 -1.447 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.862 5.218 -0.441 1.00 1.00 H new ATOM 1333 N SER X 81 95.203 4.592 -8.675 1.00 1.00 N ATOM 1334 CA SER X 81 95.034 4.838 -10.137 1.00 1.00 C ATOM 1335 C SER X 81 93.744 4.165 -10.617 1.00 1.00 C ATOM 1336 O SER X 81 92.962 4.741 -11.355 1.00 1.00 O ATOM 1337 CB SER X 81 96.229 4.249 -10.890 1.00 1.00 C ATOM 1338 OG SER X 81 96.097 4.538 -12.276 1.00 1.00 O ATOM 0 H SER X 81 96.042 4.074 -8.414 1.00 1.00 H new ATOM 0 HA SER X 81 94.977 5.910 -10.326 1.00 1.00 H new ATOM 0 HB2 SER X 81 97.159 4.669 -10.506 1.00 1.00 H new ATOM 0 HB3 SER X 81 96.277 3.171 -10.734 1.00 1.00 H new ATOM 0 HG SER X 81 96.861 4.164 -12.762 1.00 1.00 H new ATOM 1344 N TYR X 82 93.505 2.953 -10.195 1.00 1.00 N ATOM 1345 CA TYR X 82 92.262 2.250 -10.617 1.00 1.00 C ATOM 1346 C TYR X 82 91.041 2.979 -10.053 1.00 1.00 C ATOM 1347 O TYR X 82 90.048 3.163 -10.728 1.00 1.00 O ATOM 1348 CB TYR X 82 92.284 0.809 -10.100 1.00 1.00 C ATOM 1349 CG TYR X 82 93.161 -0.040 -10.992 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.805 -0.244 -12.331 1.00 1.00 C ATOM 1351 CD2 TYR X 82 94.329 -0.622 -10.483 1.00 1.00 C ATOM 1352 CE1 TYR X 82 93.615 -1.029 -13.160 1.00 1.00 C ATOM 1353 CE2 TYR X 82 95.139 -1.407 -11.313 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.782 -1.610 -12.651 1.00 1.00 C ATOM 1355 OH TYR X 82 95.580 -2.383 -13.469 1.00 1.00 O ATOM 0 H TYR X 82 94.117 2.420 -9.577 1.00 1.00 H new ATOM 0 HA TYR X 82 92.206 2.242 -11.706 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.659 0.785 -9.077 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.272 0.405 -10.078 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.905 0.205 -12.724 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.605 -0.465 -9.451 1.00 1.00 H new ATOM 0 HE1 TYR X 82 93.339 -1.186 -14.192 1.00 1.00 H new ATOM 0 HE2 TYR X 82 96.039 -1.856 -10.920 1.00 1.00 H new ATOM 0 HH TYR X 82 96.351 -2.710 -12.960 1.00 1.00 H new ATOM 1365 N TRP X 83 91.108 3.395 -8.820 1.00 1.00 N ATOM 1366 CA TRP X 83 89.958 4.117 -8.208 1.00 1.00 C ATOM 1367 C TRP X 83 89.717 5.422 -8.969 1.00 1.00 C ATOM 1368 O TRP X 83 88.596 5.855 -9.143 1.00 1.00 O ATOM 1369 CB TRP X 83 90.257 4.418 -6.741 1.00 1.00 C ATOM 1370 CG TRP X 83 88.971 4.511 -5.983 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.258 5.645 -5.799 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.237 3.451 -5.302 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.134 5.350 -5.048 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.077 4.010 -4.719 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.465 2.073 -5.137 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.172 3.231 -3.996 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.556 1.285 -4.411 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.413 1.863 -3.842 1.00 1.00 C ATOM 0 H TRP X 83 91.913 3.266 -8.207 1.00 1.00 H new ATOM 0 HA TRP X 83 89.065 3.494 -8.266 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.886 3.635 -6.318 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.811 5.353 -6.655 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.523 6.622 -6.177 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.433 6.038 -4.771 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.343 1.618 -5.571 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.293 3.682 -3.559 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.739 0.227 -4.291 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.719 1.252 -3.285 1.00 1.00 H new ATOM 1389 N ASN X 84 90.767 6.059 -9.416 1.00 1.00 N ATOM 1390 CA ASN X 84 90.598 7.343 -10.155 1.00 1.00 C ATOM 1391 C ASN X 84 89.717 7.096 -11.380 1.00 1.00 C ATOM 1392 O ASN X 84 88.820 7.863 -11.674 1.00 1.00 O ATOM 1393 CB ASN X 84 91.970 7.847 -10.609 1.00 1.00 C ATOM 1394 CG ASN X 84 92.709 8.463 -9.419 1.00 1.00 C ATOM 1395 OD1 ASN X 84 92.098 8.826 -8.433 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.006 8.595 -9.469 1.00 1.00 N ATOM 0 H ASN X 84 91.731 5.746 -9.302 1.00 1.00 H new ATOM 0 HA ASN X 84 90.133 8.087 -9.509 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.552 7.024 -11.025 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.853 8.587 -11.401 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.508 9.003 -8.680 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.518 8.290 -10.297 1.00 1.00 H new ATOM 1403 N LEU X 85 89.950 6.023 -12.082 1.00 1.00 N ATOM 1404 CA LEU X 85 89.107 5.716 -13.278 1.00 1.00 C ATOM 1405 C LEU X 85 87.663 5.481 -12.831 1.00 1.00 C ATOM 1406 O LEU X 85 86.726 5.910 -13.472 1.00 1.00 O ATOM 1407 CB LEU X 85 89.639 4.461 -13.965 1.00 1.00 C ATOM 1408 CG LEU X 85 91.009 4.764 -14.581 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.666 3.462 -15.045 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.845 5.709 -15.779 1.00 1.00 C ATOM 0 H LEU X 85 90.685 5.345 -11.883 1.00 1.00 H new ATOM 0 HA LEU X 85 89.141 6.553 -13.975 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.723 3.646 -13.246 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.944 4.133 -14.738 1.00 1.00 H new ATOM 0 HG LEU X 85 91.639 5.241 -13.830 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.640 3.682 -15.482 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.793 2.795 -14.193 1.00 1.00 H new ATOM 0 HD13 LEU X 85 91.033 2.981 -15.791 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.823 5.920 -16.212 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.210 5.238 -16.529 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.386 6.640 -15.448 1.00 1.00 H new ATOM 1422 N ILE X 86 87.475 4.799 -11.733 1.00 1.00 N ATOM 1423 CA ILE X 86 86.091 4.540 -11.245 1.00 1.00 C ATOM 1424 C ILE X 86 85.416 5.864 -10.890 1.00 1.00 C ATOM 1425 O ILE X 86 84.271 6.098 -11.222 1.00 1.00 O ATOM 1426 CB ILE X 86 86.143 3.651 -10.000 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.351 2.193 -10.419 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.832 3.786 -9.221 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.992 1.530 -10.679 1.00 1.00 C ATOM 0 H ILE X 86 88.220 4.411 -11.154 1.00 1.00 H new ATOM 0 HA ILE X 86 85.523 4.039 -12.028 1.00 1.00 H new ATOM 0 HB ILE X 86 86.972 3.962 -9.365 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.967 2.147 -11.317 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.886 1.653 -9.638 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.869 3.153 -8.334 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.693 4.824 -8.920 1.00 1.00 H new ATOM 0 HG23 ILE X 86 84.000 3.477 -9.853 1.00 1.00 H new ATOM 0 HD11 ILE X 86 85.144 0.493 -10.977 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.392 1.562 -9.770 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.473 2.064 -11.475 1.00 1.00 H new ATOM 1441 N LYS X 87 86.119 6.733 -10.216 1.00 1.00 N ATOM 1442 CA LYS X 87 85.521 8.040 -9.835 1.00 1.00 C ATOM 1443 C LYS X 87 85.028 8.762 -11.091 1.00 1.00 C ATOM 1444 O LYS X 87 84.006 9.416 -11.082 1.00 1.00 O ATOM 1445 CB LYS X 87 86.571 8.899 -9.129 1.00 1.00 C ATOM 1446 CG LYS X 87 85.929 10.203 -8.648 1.00 1.00 C ATOM 1447 CD LYS X 87 86.985 11.068 -7.960 1.00 1.00 C ATOM 1448 CE LYS X 87 86.357 12.395 -7.530 1.00 1.00 C ATOM 1449 NZ LYS X 87 87.399 13.260 -6.910 1.00 1.00 N ATOM 0 H LYS X 87 87.083 6.592 -9.913 1.00 1.00 H new ATOM 0 HA LYS X 87 84.681 7.871 -9.161 1.00 1.00 H new ATOM 0 HB2 LYS X 87 86.991 8.355 -8.283 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.395 9.117 -9.809 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.497 10.741 -9.492 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.114 9.986 -7.957 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.388 10.546 -7.092 1.00 1.00 H new ATOM 0 HD3 LYS X 87 87.819 11.251 -8.638 1.00 1.00 H new ATOM 0 HE2 LYS X 87 85.918 12.898 -8.392 1.00 1.00 H new ATOM 0 HE3 LYS X 87 85.550 12.214 -6.820 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 87.083 14.251 -6.927 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 87.556 12.964 -5.926 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.287 13.171 -7.444 1.00 1.00 H new ATOM 1463 N GLU X 88 85.752 8.653 -12.170 1.00 1.00 N ATOM 1464 CA GLU X 88 85.324 9.336 -13.422 1.00 1.00 C ATOM 1465 C GLU X 88 84.092 8.631 -13.992 1.00 1.00 C ATOM 1466 O GLU X 88 83.179 9.261 -14.491 1.00 1.00 O ATOM 1467 CB GLU X 88 86.461 9.281 -14.447 1.00 1.00 C ATOM 1468 CG GLU X 88 87.654 10.086 -13.925 1.00 1.00 C ATOM 1469 CD GLU X 88 88.807 9.997 -14.927 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.604 9.418 -15.982 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.870 10.512 -14.624 1.00 1.00 O ATOM 0 H GLU X 88 86.620 8.122 -12.239 1.00 1.00 H new ATOM 0 HA GLU X 88 85.080 10.376 -13.203 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.756 8.247 -14.625 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.125 9.685 -15.402 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.367 11.127 -13.776 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.970 9.701 -12.956 1.00 1.00 H new ATOM 1478 N LEU X 89 84.063 7.326 -13.935 1.00 1.00 N ATOM 1479 CA LEU X 89 82.891 6.590 -14.484 1.00 1.00 C ATOM 1480 C LEU X 89 81.630 6.942 -13.707 1.00 1.00 C ATOM 1481 O LEU X 89 80.606 7.258 -14.279 1.00 1.00 O ATOM 1482 CB LEU X 89 83.145 5.078 -14.386 1.00 1.00 C ATOM 1483 CG LEU X 89 83.739 4.553 -15.697 1.00 1.00 C ATOM 1484 CD1 LEU X 89 85.128 5.151 -15.924 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.845 3.028 -15.632 1.00 1.00 C ATOM 0 H LEU X 89 84.797 6.742 -13.534 1.00 1.00 H new ATOM 0 HA LEU X 89 82.754 6.876 -15.527 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.826 4.869 -13.561 1.00 1.00 H new ATOM 0 HB3 LEU X 89 82.212 4.559 -14.168 1.00 1.00 H new ATOM 0 HG LEU X 89 83.089 4.843 -16.523 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.540 4.770 -16.859 1.00 1.00 H new ATOM 0 HD12 LEU X 89 85.052 6.237 -15.976 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.783 4.872 -15.099 1.00 1.00 H new ATOM 0 HD21 LEU X 89 84.267 2.653 -16.564 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.490 2.743 -14.801 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.853 2.600 -15.485 1.00 1.00 H new ATOM 1497 N ILE X 90 81.699 6.898 -12.409 1.00 1.00 N ATOM 1498 CA ILE X 90 80.505 7.236 -11.590 1.00 1.00 C ATOM 1499 C ILE X 90 80.254 8.743 -11.646 1.00 1.00 C ATOM 1500 O ILE X 90 79.131 9.193 -11.762 1.00 1.00 O ATOM 1501 CB ILE X 90 80.741 6.801 -10.142 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.896 7.609 -9.553 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.090 5.312 -10.105 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.326 6.992 -8.221 1.00 1.00 C ATOM 0 H ILE X 90 82.532 6.642 -11.878 1.00 1.00 H new ATOM 0 HA ILE X 90 79.633 6.715 -11.985 1.00 1.00 H new ATOM 0 HB ILE X 90 79.837 6.975 -9.558 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.736 7.622 -10.248 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.590 8.645 -9.404 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.258 5.003 -9.073 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.267 4.735 -10.527 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.994 5.136 -10.688 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.150 7.569 -7.802 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.486 7.003 -7.527 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.649 5.964 -8.384 1.00 1.00 H new ATOM 1516 N ASP X 91 81.291 9.528 -11.553 1.00 1.00 N ATOM 1517 CA ASP X 91 81.116 11.005 -11.587 1.00 1.00 C ATOM 1518 C ASP X 91 80.525 11.413 -12.936 1.00 1.00 C ATOM 1519 O ASP X 91 79.714 12.314 -13.021 1.00 1.00 O ATOM 1520 CB ASP X 91 82.474 11.685 -11.397 1.00 1.00 C ATOM 1521 CG ASP X 91 82.295 13.204 -11.444 1.00 1.00 C ATOM 1522 OD1 ASP X 91 81.171 13.643 -11.620 1.00 1.00 O ATOM 1523 OD2 ASP X 91 83.286 13.903 -11.304 1.00 1.00 O ATOM 0 H ASP X 91 82.255 9.208 -11.455 1.00 1.00 H new ATOM 0 HA ASP X 91 80.443 11.311 -10.786 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.911 11.389 -10.443 1.00 1.00 H new ATOM 0 HB3 ASP X 91 83.165 11.365 -12.177 1.00 1.00 H new ATOM 1528 N LYS X 92 80.926 10.761 -13.993 1.00 1.00 N ATOM 1529 CA LYS X 92 80.390 11.119 -15.335 1.00 1.00 C ATOM 1530 C LYS X 92 78.872 10.915 -15.348 1.00 1.00 C ATOM 1531 O LYS X 92 78.131 11.738 -15.848 1.00 1.00 O ATOM 1532 CB LYS X 92 81.030 10.215 -16.394 1.00 1.00 C ATOM 1533 CG LYS X 92 80.579 10.660 -17.787 1.00 1.00 C ATOM 1534 CD LYS X 92 81.222 9.758 -18.843 1.00 1.00 C ATOM 1535 CE LYS X 92 80.783 10.213 -20.236 1.00 1.00 C ATOM 1536 NZ LYS X 92 81.394 9.323 -21.264 1.00 1.00 N ATOM 0 H LYS X 92 81.601 9.997 -13.984 1.00 1.00 H new ATOM 0 HA LYS X 92 80.621 12.162 -15.553 1.00 1.00 H new ATOM 0 HB2 LYS X 92 82.116 10.263 -16.320 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.744 9.177 -16.222 1.00 1.00 H new ATOM 0 HG2 LYS X 92 79.493 10.610 -17.863 1.00 1.00 H new ATOM 0 HG3 LYS X 92 80.863 11.698 -17.959 1.00 1.00 H new ATOM 0 HD2 LYS X 92 82.308 9.800 -18.760 1.00 1.00 H new ATOM 0 HD3 LYS X 92 80.929 8.721 -18.678 1.00 1.00 H new ATOM 0 HE2 LYS X 92 79.696 10.184 -20.314 1.00 1.00 H new ATOM 0 HE3 LYS X 92 81.088 11.246 -20.406 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 81.096 9.631 -22.211 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 82.430 9.372 -21.194 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 81.082 8.344 -21.105 1.00 1.00 H new ATOM 1550 N LYS X 93 78.402 9.827 -14.801 1.00 1.00 N ATOM 1551 CA LYS X 93 76.933 9.575 -14.784 1.00 1.00 C ATOM 1552 C LYS X 93 76.296 10.332 -13.617 1.00 1.00 C ATOM 1553 O LYS X 93 76.797 10.322 -12.511 1.00 1.00 O ATOM 1554 CB LYS X 93 76.674 8.074 -14.626 1.00 1.00 C ATOM 1555 CG LYS X 93 75.174 7.800 -14.740 1.00 1.00 C ATOM 1556 CD LYS X 93 74.934 6.290 -14.796 1.00 1.00 C ATOM 1557 CE LYS X 93 73.437 6.016 -14.954 1.00 1.00 C ATOM 1558 NZ LYS X 93 72.703 6.580 -13.788 1.00 1.00 N ATOM 0 H LYS X 93 78.972 9.102 -14.365 1.00 1.00 H new ATOM 0 HA LYS X 93 76.495 9.921 -15.720 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.215 7.518 -15.392 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.045 7.730 -13.661 1.00 1.00 H new ATOM 0 HG2 LYS X 93 74.649 8.231 -13.888 1.00 1.00 H new ATOM 0 HG3 LYS X 93 74.774 8.276 -15.635 1.00 1.00 H new ATOM 0 HD2 LYS X 93 75.484 5.854 -15.630 1.00 1.00 H new ATOM 0 HD3 LYS X 93 75.307 5.818 -13.887 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.070 6.462 -15.878 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.258 4.943 -15.025 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 71.766 6.134 -13.719 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 73.240 6.394 -12.917 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 72.590 7.606 -13.912 1.00 1.00 H new ATOM 1572 N GLU X 94 75.191 10.986 -13.854 1.00 1.00 N ATOM 1573 CA GLU X 94 74.521 11.739 -12.758 1.00 1.00 C ATOM 1574 C GLU X 94 73.581 10.803 -11.999 1.00 1.00 C ATOM 1575 O GLU X 94 72.697 10.202 -12.576 1.00 1.00 O ATOM 1576 CB GLU X 94 73.715 12.896 -13.352 1.00 1.00 C ATOM 1577 CG GLU X 94 74.669 13.952 -13.911 1.00 1.00 C ATOM 1578 CD GLU X 94 73.864 15.067 -14.580 1.00 1.00 C ATOM 1579 OE1 GLU X 94 72.648 14.969 -14.589 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.477 15.998 -15.074 1.00 1.00 O ATOM 0 H GLU X 94 74.724 11.031 -14.760 1.00 1.00 H new ATOM 0 HA GLU X 94 75.274 12.133 -12.075 1.00 1.00 H new ATOM 0 HB2 GLU X 94 73.060 12.528 -14.142 1.00 1.00 H new ATOM 0 HB3 GLU X 94 73.076 13.337 -12.587 1.00 1.00 H new ATOM 0 HG2 GLU X 94 75.283 14.363 -13.109 1.00 1.00 H new ATOM 0 HG3 GLU X 94 75.349 13.498 -14.632 1.00 1.00 H new ATOM 1587 N VAL X 95 73.769 10.674 -10.712 1.00 1.00 N ATOM 1588 CA VAL X 95 72.889 9.775 -9.908 1.00 1.00 C ATOM 1589 C VAL X 95 72.445 10.502 -8.641 1.00 1.00 C ATOM 1590 O VAL X 95 73.009 11.512 -8.273 1.00 1.00 O ATOM 1591 CB VAL X 95 73.659 8.509 -9.535 1.00 1.00 C ATOM 1592 CG1 VAL X 95 74.842 8.872 -8.636 1.00 1.00 C ATOM 1593 CG2 VAL X 95 72.727 7.550 -8.791 1.00 1.00 C ATOM 0 H VAL X 95 74.496 11.154 -10.181 1.00 1.00 H new ATOM 0 HA VAL X 95 72.011 9.502 -10.494 1.00 1.00 H new ATOM 0 HB VAL X 95 74.030 8.030 -10.441 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.389 7.967 -8.372 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.505 9.555 -9.166 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.476 9.352 -7.729 1.00 1.00 H new ATOM 0 HG21 VAL X 95 73.274 6.646 -8.524 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.357 8.031 -7.886 1.00 1.00 H new ATOM 0 HG23 VAL X 95 71.886 7.289 -9.433 1.00 1.00 H new ATOM 1603 N ASN X 96 71.440 9.996 -7.975 1.00 1.00 N ATOM 1604 CA ASN X 96 70.953 10.655 -6.726 1.00 1.00 C ATOM 1605 C ASN X 96 70.872 9.622 -5.600 1.00 1.00 C ATOM 1606 O ASN X 96 69.822 9.091 -5.305 1.00 1.00 O ATOM 1607 CB ASN X 96 69.571 11.248 -6.973 1.00 1.00 C ATOM 1608 CG ASN X 96 69.146 12.066 -5.753 1.00 1.00 C ATOM 1609 OD1 ASN X 96 68.833 13.234 -5.869 1.00 1.00 O ATOM 1610 ND2 ASN X 96 69.120 11.499 -4.578 1.00 1.00 N ATOM 0 H ASN X 96 70.934 9.152 -8.243 1.00 1.00 H new ATOM 0 HA ASN X 96 71.644 11.448 -6.440 1.00 1.00 H new ATOM 0 HB2 ASN X 96 69.587 11.880 -7.861 1.00 1.00 H new ATOM 0 HB3 ASN X 96 68.850 10.453 -7.161 1.00 1.00 H new ATOM 0 HD21 ASN X 96 68.837 12.036 -3.759 1.00 1.00 H new ATOM 0 HD22 ASN X 96 69.383 10.518 -4.479 1.00 1.00 H new ATOM 1617 N PRO X 97 71.985 9.341 -4.974 1.00 1.00 N ATOM 1618 CA PRO X 97 72.061 8.357 -3.854 1.00 1.00 C ATOM 1619 C PRO X 97 71.188 8.769 -2.666 1.00 1.00 C ATOM 1620 O PRO X 97 70.180 9.429 -2.820 1.00 1.00 O ATOM 1621 CB PRO X 97 73.540 8.366 -3.456 1.00 1.00 C ATOM 1622 CG PRO X 97 74.268 8.956 -4.617 1.00 1.00 C ATOM 1623 CD PRO X 97 73.295 9.931 -5.263 1.00 1.00 C ATOM 0 HA PRO X 97 71.699 7.374 -4.155 1.00 1.00 H new ATOM 0 HB2 PRO X 97 73.699 8.956 -2.554 1.00 1.00 H new ATOM 0 HB3 PRO X 97 73.894 7.357 -3.244 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.175 9.466 -4.292 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.573 8.182 -5.322 1.00 1.00 H new ATOM 0 HD2 PRO X 97 73.388 10.931 -4.840 1.00 1.00 H new ATOM 0 HD3 PRO X 97 73.468 10.021 -6.335 1.00 1.00 H new ATOM 1631 N GLN X 98 71.568 8.383 -1.480 1.00 1.00 N ATOM 1632 CA GLN X 98 70.762 8.756 -0.281 1.00 1.00 C ATOM 1633 C GLN X 98 70.823 10.267 -0.076 1.00 1.00 C ATOM 1634 O GLN X 98 69.826 10.897 0.215 1.00 1.00 O ATOM 1635 CB GLN X 98 71.320 8.049 0.957 1.00 1.00 C ATOM 1636 CG GLN X 98 71.185 6.533 0.787 1.00 1.00 C ATOM 1637 CD GLN X 98 69.707 6.157 0.665 1.00 1.00 C ATOM 1638 OE1 GLN X 98 69.311 5.435 -0.347 1.00 1.00 O flip ATOM 1639 NE2 GLN X 98 68.904 6.528 1.499 1.00 1.00 N flip ATOM 0 H GLN X 98 72.401 7.826 -1.288 1.00 1.00 H new ATOM 0 HA GLN X 98 69.727 8.451 -0.434 1.00 1.00 H new ATOM 0 HB2 GLN X 98 72.367 8.317 1.101 1.00 1.00 H new ATOM 0 HB3 GLN X 98 70.782 8.375 1.848 1.00 1.00 H new ATOM 0 HG2 GLN X 98 71.727 6.207 -0.101 1.00 1.00 H new ATOM 0 HG3 GLN X 98 71.631 6.021 1.639 1.00 1.00 H new ATOM 0 HE21 GLN X 98 69.214 7.092 2.290 1.00 1.00 H new ATOM 0 HE22 GLN X 98 67.920 6.275 1.408 1.00 1.00 H new ATOM 1648 N VAL X 99 71.984 10.852 -0.233 1.00 1.00 N ATOM 1649 CA VAL X 99 72.110 12.328 -0.055 1.00 1.00 C ATOM 1650 C VAL X 99 72.696 12.943 -1.327 1.00 1.00 C ATOM 1651 O VAL X 99 73.717 12.514 -1.824 1.00 1.00 O ATOM 1652 CB VAL X 99 73.039 12.621 1.125 1.00 1.00 C ATOM 1653 CG1 VAL X 99 73.352 14.118 1.168 1.00 1.00 C ATOM 1654 CG2 VAL X 99 72.351 12.206 2.428 1.00 1.00 C ATOM 0 H VAL X 99 72.849 10.370 -0.477 1.00 1.00 H new ATOM 0 HA VAL X 99 71.127 12.757 0.140 1.00 1.00 H new ATOM 0 HB VAL X 99 73.966 12.060 1.007 1.00 1.00 H new ATOM 0 HG11 VAL X 99 74.014 14.327 2.008 1.00 1.00 H new ATOM 0 HG12 VAL X 99 73.840 14.415 0.239 1.00 1.00 H new ATOM 0 HG13 VAL X 99 72.426 14.680 1.287 1.00 1.00 H new ATOM 0 HG21 VAL X 99 73.011 12.414 3.270 1.00 1.00 H new ATOM 0 HG22 VAL X 99 71.425 12.768 2.546 1.00 1.00 H new ATOM 0 HG23 VAL X 99 72.127 11.140 2.397 1.00 1.00 H new ATOM 1664 N MET X 100 72.057 13.950 -1.857 1.00 1.00 N ATOM 1665 CA MET X 100 72.577 14.594 -3.095 1.00 1.00 C ATOM 1666 C MET X 100 74.024 15.036 -2.866 1.00 1.00 C ATOM 1667 O MET X 100 74.222 16.179 -2.488 1.00 1.00 O ATOM 1668 CB MET X 100 71.721 15.816 -3.430 1.00 1.00 C ATOM 1669 CG MET X 100 70.308 15.362 -3.802 1.00 1.00 C ATOM 1670 SD MET X 100 69.303 16.804 -4.241 1.00 1.00 S ATOM 1671 CE MET X 100 68.949 17.365 -2.556 1.00 1.00 C ATOM 1672 OXT MET X 100 74.910 14.222 -3.072 1.00 1.00 O ATOM 0 H MET X 100 71.197 14.354 -1.486 1.00 1.00 H new ATOM 0 HA MET X 100 72.537 13.884 -3.921 1.00 1.00 H new ATOM 0 HB2 MET X 100 71.684 16.493 -2.576 1.00 1.00 H new ATOM 0 HB3 MET X 100 72.166 16.370 -4.257 1.00 1.00 H new ATOM 0 HG2 MET X 100 70.348 14.665 -4.639 1.00 1.00 H new ATOM 0 HG3 MET X 100 69.854 14.830 -2.966 1.00 1.00 H new ATOM 0 HE1 MET X 100 67.880 17.279 -2.361 1.00 1.00 H new ATOM 0 HE2 MET X 100 69.498 16.749 -1.844 1.00 1.00 H new ATOM 0 HE3 MET X 100 69.255 18.405 -2.447 1.00 1.00 H new TER 1682 MET X 100