USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 SER OG : rot 77:sc= 1.24 USER MOD Set 1.2: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.446 K(o=-0.45,f=-1.3) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.111 (180deg=-0.46) USER MOD Single : A 5 GLN : amide:sc=-0.00182 K(o=-0.0018,f=-0.91) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 14:sc= 0.737 USER MOD Single : A 10 THR OG1 : rot -76:sc= 0.201 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 73:sc= 0.66 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.72) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -3:sc= -3.27! USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.15) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= 0.373 (180deg=-0.126) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -164:sc= -0.748 (180deg=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0076 (180deg=-0.137) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 171:sc= 0.401 USER MOD Single : A 54 SER OG : rot 180:sc= -0.62 USER MOD Single : A 57 CYS SG : rot 180:sc= -2.43 USER MOD Single : A 59 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.5!) USER MOD Single : A 60 GLN : amide:sc= -2.17! C(o=-2.2!,f=-5.6!) USER MOD Single : A 62 CYS SG : rot 71:sc= -2.2! USER MOD Single : A 63 HIS : no HD1:sc= -0.886 K(o=-0.89,f=0.26) USER MOD Single : A 64 GLN : amide:sc= -0.771 K(o=-0.77,f=-2.4) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.259 -19.925 0.543 1.00 0.00 N ATOM 2 CA ALA A 1 -2.471 -19.087 0.492 1.00 0.00 C ATOM 3 C ALA A 1 -2.160 -17.730 -0.121 1.00 0.00 C ATOM 4 O ALA A 1 -2.523 -17.453 -1.268 1.00 0.00 O ATOM 5 CB ALA A 1 -3.060 -18.916 1.886 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.492 -20.847 0.964 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.894 -20.067 -0.421 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.535 -19.453 1.121 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.207 -19.588 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.954 -18.295 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.322 -19.893 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.326 -18.438 2.535 1.00 0.00 H new ATOM 13 N GLY A 2 -1.475 -16.891 0.637 1.00 0.00 N ATOM 14 CA GLY A 2 -1.115 -15.585 0.151 1.00 0.00 C ATOM 15 C GLY A 2 0.191 -15.614 -0.596 1.00 0.00 C ATOM 16 O GLY A 2 0.746 -16.686 -0.845 1.00 0.00 O ATOM 0 H GLY A 2 -1.162 -17.096 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.901 -15.210 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.041 -14.892 0.989 1.00 0.00 H new ATOM 20 N HIS A 3 0.684 -14.458 -0.960 1.00 0.00 N ATOM 21 CA HIS A 3 1.943 -14.372 -1.662 1.00 0.00 C ATOM 22 C HIS A 3 3.074 -14.244 -0.673 1.00 0.00 C ATOM 23 O HIS A 3 3.045 -13.378 0.203 1.00 0.00 O ATOM 24 CB HIS A 3 1.948 -13.189 -2.628 1.00 0.00 C ATOM 25 CG HIS A 3 1.004 -13.349 -3.773 1.00 0.00 C ATOM 26 ND1 HIS A 3 -0.334 -13.014 -3.705 1.00 0.00 N ATOM 27 CD2 HIS A 3 1.205 -13.819 -5.023 1.00 0.00 C ATOM 28 CE1 HIS A 3 -0.906 -13.274 -4.866 1.00 0.00 C ATOM 29 NE2 HIS A 3 0.003 -13.760 -5.678 1.00 0.00 N ATOM 0 H HIS A 3 0.233 -13.560 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 3 2.078 -15.284 -2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.691 -12.282 -2.080 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.957 -13.052 -3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.140 -14.175 -5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.947 -13.114 -5.107 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.159 -14.048 -6.643 1.00 0.00 H new ATOM 37 N MET A 4 4.056 -15.115 -0.797 1.00 0.00 N ATOM 38 CA MET A 4 5.202 -15.101 0.089 1.00 0.00 C ATOM 39 C MET A 4 5.970 -13.803 -0.074 1.00 0.00 C ATOM 40 O MET A 4 6.408 -13.193 0.906 1.00 0.00 O ATOM 41 CB MET A 4 6.107 -16.297 -0.193 1.00 0.00 C ATOM 42 CG MET A 4 7.257 -16.438 0.785 1.00 0.00 C ATOM 43 SD MET A 4 6.691 -16.521 2.497 1.00 0.00 S ATOM 44 CE MET A 4 5.653 -17.985 2.448 1.00 0.00 C ATOM 0 H MET A 4 4.082 -15.846 -1.508 1.00 0.00 H new ATOM 0 HA MET A 4 4.851 -15.172 1.118 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.508 -17.207 -0.169 1.00 0.00 H new ATOM 0 HB3 MET A 4 6.509 -16.206 -1.202 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.825 -17.338 0.548 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.936 -15.593 0.669 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.463 -18.330 3.464 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.707 -17.744 1.964 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.158 -18.771 1.886 1.00 0.00 H new ATOM 54 N GLN A 5 6.116 -13.380 -1.313 1.00 0.00 N ATOM 55 CA GLN A 5 6.783 -12.140 -1.618 1.00 0.00 C ATOM 56 C GLN A 5 5.759 -11.032 -1.749 1.00 0.00 C ATOM 57 O GLN A 5 4.842 -11.111 -2.571 1.00 0.00 O ATOM 58 CB GLN A 5 7.586 -12.264 -2.909 1.00 0.00 C ATOM 59 CG GLN A 5 8.780 -13.195 -2.806 1.00 0.00 C ATOM 60 CD GLN A 5 9.452 -13.423 -4.143 1.00 0.00 C ATOM 61 OE1 GLN A 5 8.808 -13.395 -5.191 1.00 0.00 O ATOM 62 NE2 GLN A 5 10.747 -13.643 -4.118 1.00 0.00 N ATOM 0 H GLN A 5 5.776 -13.887 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 5 7.472 -11.903 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.928 -12.620 -3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.934 -11.274 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.503 -12.777 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.456 -14.152 -2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.245 -13.658 -3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.255 -13.798 -4.989 1.00 0.00 H new ATOM 71 N VAL A 6 5.918 -10.008 -0.946 1.00 0.00 N ATOM 72 CA VAL A 6 5.007 -8.886 -0.946 1.00 0.00 C ATOM 73 C VAL A 6 5.775 -7.592 -1.088 1.00 0.00 C ATOM 74 O VAL A 6 6.932 -7.498 -0.673 1.00 0.00 O ATOM 75 CB VAL A 6 4.146 -8.838 0.346 1.00 0.00 C ATOM 76 CG1 VAL A 6 3.232 -10.050 0.431 1.00 0.00 C ATOM 77 CG2 VAL A 6 5.034 -8.756 1.584 1.00 0.00 C ATOM 0 H VAL A 6 6.681 -9.928 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 6 4.335 -9.013 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 6 3.527 -7.942 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.639 -9.995 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.568 -10.066 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.833 -10.959 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.411 -8.723 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.682 -9.631 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.645 -7.854 1.535 1.00 0.00 H new ATOM 87 N ALA A 7 5.150 -6.607 -1.682 1.00 0.00 N ATOM 88 CA ALA A 7 5.786 -5.332 -1.872 1.00 0.00 C ATOM 89 C ALA A 7 4.998 -4.241 -1.196 1.00 0.00 C ATOM 90 O ALA A 7 3.763 -4.248 -1.208 1.00 0.00 O ATOM 91 CB ALA A 7 5.945 -5.030 -3.352 1.00 0.00 C ATOM 0 H ALA A 7 4.198 -6.666 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 7 6.777 -5.374 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.428 -4.061 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.557 -5.803 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.964 -5.009 -3.827 1.00 0.00 H new ATOM 97 N THR A 8 5.703 -3.324 -0.590 1.00 0.00 N ATOM 98 CA THR A 8 5.085 -2.200 0.046 1.00 0.00 C ATOM 99 C THR A 8 5.600 -0.924 -0.579 1.00 0.00 C ATOM 100 O THR A 8 6.766 -0.844 -0.982 1.00 0.00 O ATOM 101 CB THR A 8 5.363 -2.191 1.569 1.00 0.00 C ATOM 102 OG1 THR A 8 6.780 -2.241 1.811 1.00 0.00 O ATOM 103 CG2 THR A 8 4.688 -3.372 2.253 1.00 0.00 C ATOM 0 H THR A 8 6.721 -3.338 -0.525 1.00 0.00 H new ATOM 0 HA THR A 8 4.007 -2.274 -0.097 1.00 0.00 H new ATOM 0 HB THR A 8 4.954 -1.269 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.947 -2.233 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.899 -3.342 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.611 -3.318 2.094 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.070 -4.303 1.833 1.00 0.00 H new ATOM 111 N SER A 9 4.757 0.063 -0.665 1.00 0.00 N ATOM 112 CA SER A 9 5.143 1.318 -1.245 1.00 0.00 C ATOM 113 C SER A 9 4.523 2.443 -0.454 1.00 0.00 C ATOM 114 O SER A 9 3.390 2.328 0.021 1.00 0.00 O ATOM 115 CB SER A 9 4.702 1.377 -2.716 1.00 0.00 C ATOM 116 OG SER A 9 5.144 2.570 -3.355 1.00 0.00 O ATOM 0 H SER A 9 3.791 0.023 -0.339 1.00 0.00 H new ATOM 0 HA SER A 9 6.228 1.419 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.097 0.512 -3.249 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.615 1.316 -2.772 1.00 0.00 H new ATOM 0 HG SER A 9 5.820 3.009 -2.797 1.00 0.00 H new ATOM 122 N THR A 10 5.261 3.511 -0.297 1.00 0.00 N ATOM 123 CA THR A 10 4.791 4.643 0.440 1.00 0.00 C ATOM 124 C THR A 10 4.493 5.800 -0.487 1.00 0.00 C ATOM 125 O THR A 10 5.270 6.118 -1.377 1.00 0.00 O ATOM 126 CB THR A 10 5.813 5.062 1.518 1.00 0.00 C ATOM 127 OG1 THR A 10 7.136 5.104 0.948 1.00 0.00 O ATOM 128 CG2 THR A 10 5.797 4.087 2.684 1.00 0.00 C ATOM 0 H THR A 10 6.202 3.615 -0.677 1.00 0.00 H new ATOM 0 HA THR A 10 3.866 4.357 0.941 1.00 0.00 H new ATOM 0 HB THR A 10 5.538 6.051 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.475 4.191 0.841 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.525 4.402 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.803 4.070 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.052 3.089 2.327 1.00 0.00 H new ATOM 136 N VAL A 11 3.366 6.414 -0.289 1.00 0.00 N ATOM 137 CA VAL A 11 2.976 7.527 -1.104 1.00 0.00 C ATOM 138 C VAL A 11 2.631 8.695 -0.218 1.00 0.00 C ATOM 139 O VAL A 11 2.205 8.510 0.918 1.00 0.00 O ATOM 140 CB VAL A 11 1.750 7.185 -2.006 1.00 0.00 C ATOM 141 CG1 VAL A 11 2.067 6.030 -2.948 1.00 0.00 C ATOM 142 CG2 VAL A 11 0.520 6.861 -1.164 1.00 0.00 C ATOM 0 H VAL A 11 2.694 6.161 0.436 1.00 0.00 H new ATOM 0 HA VAL A 11 3.813 7.775 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 11 1.530 8.067 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.195 5.813 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.906 6.303 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.328 5.146 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.318 6.627 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.732 6.003 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.266 7.721 -0.544 1.00 0.00 H new ATOM 152 N ARG A 12 2.830 9.882 -0.711 1.00 0.00 N ATOM 153 CA ARG A 12 2.479 11.056 0.046 1.00 0.00 C ATOM 154 C ARG A 12 1.250 11.677 -0.557 1.00 0.00 C ATOM 155 O ARG A 12 1.043 11.599 -1.767 1.00 0.00 O ATOM 156 CB ARG A 12 3.624 12.065 0.086 1.00 0.00 C ATOM 157 CG ARG A 12 3.961 12.672 -1.257 1.00 0.00 C ATOM 158 CD ARG A 12 5.007 13.761 -1.120 1.00 0.00 C ATOM 159 NE ARG A 12 4.529 14.860 -0.283 1.00 0.00 N ATOM 160 CZ ARG A 12 5.277 15.883 0.121 1.00 0.00 C ATOM 161 NH1 ARG A 12 6.540 15.986 -0.274 1.00 0.00 N ATOM 162 NH2 ARG A 12 4.754 16.805 0.919 1.00 0.00 N ATOM 0 H ARG A 12 3.232 10.067 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 12 2.278 10.760 1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.364 12.865 0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.512 11.574 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.327 11.895 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.059 13.085 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.916 13.342 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.269 14.141 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 12 3.553 14.841 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.941 15.279 -0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.110 16.772 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.782 16.727 1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.323 17.591 1.232 1.00 0.00 H new ATOM 176 N ILE A 13 0.437 12.270 0.269 1.00 0.00 N ATOM 177 CA ILE A 13 -0.788 12.871 -0.186 1.00 0.00 C ATOM 178 C ILE A 13 -0.797 14.356 0.118 1.00 0.00 C ATOM 179 O ILE A 13 -0.578 14.767 1.262 1.00 0.00 O ATOM 180 CB ILE A 13 -2.014 12.210 0.480 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.059 10.710 0.160 1.00 0.00 C ATOM 182 CG2 ILE A 13 -3.290 12.893 0.020 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.117 9.949 0.935 1.00 0.00 C ATOM 0 H ILE A 13 0.601 12.352 1.272 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.847 12.719 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.928 12.324 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.241 10.581 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.083 10.274 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.148 12.419 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.258 13.947 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.380 12.804 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.087 8.896 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.925 10.045 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.101 10.358 0.705 1.00 0.00 H new ATOM 195 N LEU A 14 -1.025 15.156 -0.898 1.00 0.00 N ATOM 196 CA LEU A 14 -1.110 16.582 -0.722 1.00 0.00 C ATOM 197 C LEU A 14 -2.487 17.072 -1.155 1.00 0.00 C ATOM 198 O LEU A 14 -2.859 16.961 -2.330 1.00 0.00 O ATOM 199 CB LEU A 14 -0.009 17.283 -1.527 1.00 0.00 C ATOM 200 CG LEU A 14 0.026 18.812 -1.430 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.269 19.257 0.006 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.095 19.377 -2.353 1.00 0.00 C ATOM 0 H LEU A 14 -1.155 14.839 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.967 16.822 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.956 16.896 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.122 17.008 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.943 19.198 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.290 20.346 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.532 18.883 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.223 18.861 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.107 20.464 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.069 18.981 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.875 19.092 -3.382 1.00 0.00 H new ATOM 214 N GLY A 15 -3.241 17.599 -0.208 1.00 0.00 N ATOM 215 CA GLY A 15 -4.559 18.109 -0.505 1.00 0.00 C ATOM 216 C GLY A 15 -5.145 18.854 0.669 1.00 0.00 C ATOM 217 O GLY A 15 -4.765 18.604 1.820 1.00 0.00 O ATOM 0 H GLY A 15 -2.961 17.683 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.507 18.773 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.216 17.283 -0.777 1.00 0.00 H new ATOM 221 N MET A 16 -6.061 19.773 0.391 1.00 0.00 N ATOM 222 CA MET A 16 -6.706 20.550 1.443 1.00 0.00 C ATOM 223 C MET A 16 -7.600 19.666 2.304 1.00 0.00 C ATOM 224 O MET A 16 -7.636 19.803 3.527 1.00 0.00 O ATOM 225 CB MET A 16 -7.517 21.702 0.845 1.00 0.00 C ATOM 226 CG MET A 16 -6.665 22.770 0.180 1.00 0.00 C ATOM 227 SD MET A 16 -7.652 24.103 -0.530 1.00 0.00 S ATOM 228 CE MET A 16 -6.362 25.141 -1.219 1.00 0.00 C ATOM 0 H MET A 16 -6.374 19.999 -0.553 1.00 0.00 H new ATOM 0 HA MET A 16 -5.924 20.968 2.077 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.216 21.300 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.112 22.163 1.633 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.973 23.186 0.913 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.062 22.312 -0.604 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.812 26.012 -1.696 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.694 25.468 -0.422 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.795 24.575 -1.958 1.00 0.00 H new ATOM 238 N THR A 17 -8.303 18.753 1.658 1.00 0.00 N ATOM 239 CA THR A 17 -9.184 17.833 2.344 1.00 0.00 C ATOM 240 C THR A 17 -8.556 16.439 2.423 1.00 0.00 C ATOM 241 O THR A 17 -8.740 15.601 1.533 1.00 0.00 O ATOM 242 CB THR A 17 -10.556 17.768 1.643 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.376 17.821 0.217 1.00 0.00 O ATOM 244 CG2 THR A 17 -11.445 18.921 2.087 1.00 0.00 C ATOM 0 H THR A 17 -8.278 18.631 0.646 1.00 0.00 H new ATOM 0 HA THR A 17 -9.334 18.200 3.359 1.00 0.00 H new ATOM 0 HB THR A 17 -11.039 16.830 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.018 16.965 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.407 18.855 1.580 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.599 18.868 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.966 19.867 1.835 1.00 0.00 H new ATOM 252 N CYS A 18 -7.804 16.208 3.490 1.00 0.00 N ATOM 253 CA CYS A 18 -7.079 14.959 3.675 1.00 0.00 C ATOM 254 C CYS A 18 -8.019 13.758 3.811 1.00 0.00 C ATOM 255 O CYS A 18 -7.758 12.691 3.258 1.00 0.00 O ATOM 256 CB CYS A 18 -6.161 15.059 4.891 1.00 0.00 C ATOM 257 SG CYS A 18 -4.768 16.191 4.667 1.00 0.00 S ATOM 0 H CYS A 18 -7.680 16.878 4.249 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.477 14.795 2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.747 15.385 5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.776 14.067 5.126 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.048 16.212 5.749 1.00 0.00 H new ATOM 263 N GLN A 19 -9.108 13.930 4.530 1.00 0.00 N ATOM 264 CA GLN A 19 -10.048 12.836 4.731 1.00 0.00 C ATOM 265 C GLN A 19 -10.699 12.413 3.421 1.00 0.00 C ATOM 266 O GLN A 19 -10.899 11.222 3.178 1.00 0.00 O ATOM 267 CB GLN A 19 -11.108 13.203 5.763 1.00 0.00 C ATOM 268 CG GLN A 19 -10.550 13.391 7.158 1.00 0.00 C ATOM 269 CD GLN A 19 -9.885 12.140 7.701 1.00 0.00 C ATOM 270 OE1 GLN A 19 -10.284 11.018 7.389 1.00 0.00 O ATOM 271 NE2 GLN A 19 -8.867 12.325 8.514 1.00 0.00 N ATOM 0 H GLN A 19 -9.367 14.806 4.983 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.481 11.987 5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.605 14.122 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.868 12.422 5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.826 14.206 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.356 13.689 7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.567 13.271 8.748 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.378 11.522 8.910 1.00 0.00 H new ATOM 280 N SER A 20 -11.018 13.387 2.581 1.00 0.00 N ATOM 281 CA SER A 20 -11.660 13.117 1.305 1.00 0.00 C ATOM 282 C SER A 20 -10.769 12.268 0.390 1.00 0.00 C ATOM 283 O SER A 20 -11.239 11.316 -0.232 1.00 0.00 O ATOM 284 CB SER A 20 -12.024 14.431 0.618 1.00 0.00 C ATOM 285 OG SER A 20 -12.958 15.162 1.396 1.00 0.00 O ATOM 0 H SER A 20 -10.841 14.375 2.762 1.00 0.00 H new ATOM 0 HA SER A 20 -12.568 12.546 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.125 15.028 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.444 14.228 -0.367 1.00 0.00 H new ATOM 0 HG SER A 20 -13.178 16.001 0.940 1.00 0.00 H new ATOM 291 N CYS A 21 -9.481 12.597 0.323 1.00 0.00 N ATOM 292 CA CYS A 21 -8.563 11.847 -0.523 1.00 0.00 C ATOM 293 C CYS A 21 -8.307 10.450 0.028 1.00 0.00 C ATOM 294 O CYS A 21 -8.247 9.478 -0.729 1.00 0.00 O ATOM 295 CB CYS A 21 -7.255 12.609 -0.722 1.00 0.00 C ATOM 296 SG CYS A 21 -6.441 13.117 0.799 1.00 0.00 S ATOM 0 H CYS A 21 -9.056 13.368 0.838 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.036 11.731 -1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.569 11.983 -1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.455 13.495 -1.324 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.176 12.781 1.817 1.00 0.00 H new ATOM 302 N VAL A 22 -8.176 10.350 1.350 1.00 0.00 N ATOM 303 CA VAL A 22 -7.963 9.066 1.997 1.00 0.00 C ATOM 304 C VAL A 22 -9.163 8.161 1.770 1.00 0.00 C ATOM 305 O VAL A 22 -9.018 6.983 1.447 1.00 0.00 O ATOM 306 CB VAL A 22 -7.700 9.223 3.522 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.689 7.867 4.219 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.383 9.947 3.761 1.00 0.00 C ATOM 0 H VAL A 22 -8.214 11.144 1.989 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.076 8.616 1.551 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.511 9.816 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.503 8.007 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.654 7.379 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.903 7.245 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.213 10.049 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.568 9.375 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.423 10.936 3.304 1.00 0.00 H new ATOM 318 N LYS A 23 -10.350 8.723 1.924 1.00 0.00 N ATOM 319 CA LYS A 23 -11.571 7.963 1.735 1.00 0.00 C ATOM 320 C LYS A 23 -11.695 7.505 0.279 1.00 0.00 C ATOM 321 O LYS A 23 -12.091 6.372 0.007 1.00 0.00 O ATOM 322 CB LYS A 23 -12.798 8.793 2.117 1.00 0.00 C ATOM 323 CG LYS A 23 -14.075 7.973 2.204 1.00 0.00 C ATOM 324 CD LYS A 23 -14.110 7.167 3.496 1.00 0.00 C ATOM 325 CE LYS A 23 -15.196 6.106 3.478 1.00 0.00 C ATOM 326 NZ LYS A 23 -14.826 4.964 2.606 1.00 0.00 N ATOM 0 H LYS A 23 -10.493 9.700 2.179 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.524 7.089 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.617 9.275 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.934 9.587 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.941 8.633 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.141 7.301 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.142 6.691 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.275 7.839 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.373 5.748 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.130 6.545 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.483 4.175 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.879 5.257 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.856 4.659 2.826 1.00 0.00 H new ATOM 340 N SER A 24 -11.340 8.397 -0.646 1.00 0.00 N ATOM 341 CA SER A 24 -11.442 8.115 -2.075 1.00 0.00 C ATOM 342 C SER A 24 -10.546 6.944 -2.495 1.00 0.00 C ATOM 343 O SER A 24 -10.973 6.073 -3.263 1.00 0.00 O ATOM 344 CB SER A 24 -11.096 9.364 -2.884 1.00 0.00 C ATOM 345 OG SER A 24 -12.024 10.408 -2.624 1.00 0.00 O ATOM 0 H SER A 24 -10.978 9.325 -0.428 1.00 0.00 H new ATOM 0 HA SER A 24 -12.473 7.826 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.088 9.697 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.099 9.126 -3.948 1.00 0.00 H new ATOM 0 HG SER A 24 -11.824 10.815 -1.755 1.00 0.00 H new ATOM 351 N ILE A 25 -9.313 6.905 -1.986 1.00 0.00 N ATOM 352 CA ILE A 25 -8.422 5.804 -2.318 1.00 0.00 C ATOM 353 C ILE A 25 -8.876 4.539 -1.625 1.00 0.00 C ATOM 354 O ILE A 25 -8.796 3.458 -2.187 1.00 0.00 O ATOM 355 CB ILE A 25 -6.935 6.095 -1.973 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.751 6.376 -0.478 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.422 7.251 -2.804 1.00 0.00 C ATOM 358 CD1 ILE A 25 -5.302 6.502 -0.050 1.00 0.00 C ATOM 0 H ILE A 25 -8.920 7.607 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.475 5.676 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.352 5.205 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.276 7.297 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.220 5.574 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.379 7.445 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.500 7.001 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.017 8.141 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.255 6.701 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.775 5.573 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.833 7.323 -0.592 1.00 0.00 H new ATOM 370 N GLU A 26 -9.404 4.696 -0.420 1.00 0.00 N ATOM 371 CA GLU A 26 -9.916 3.578 0.347 1.00 0.00 C ATOM 372 C GLU A 26 -11.054 2.909 -0.409 1.00 0.00 C ATOM 373 O GLU A 26 -11.112 1.689 -0.513 1.00 0.00 O ATOM 374 CB GLU A 26 -10.418 4.073 1.704 1.00 0.00 C ATOM 375 CG GLU A 26 -10.975 2.987 2.605 1.00 0.00 C ATOM 376 CD GLU A 26 -11.506 3.543 3.900 1.00 0.00 C ATOM 377 OE1 GLU A 26 -12.574 4.192 3.879 1.00 0.00 O ATOM 378 OE2 GLU A 26 -10.859 3.351 4.946 1.00 0.00 O ATOM 0 H GLU A 26 -9.488 5.598 0.049 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.116 2.853 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.597 4.570 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.192 4.823 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.773 2.458 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.194 2.257 2.817 1.00 0.00 H new ATOM 385 N ASP A 27 -11.942 3.729 -0.953 1.00 0.00 N ATOM 386 CA ASP A 27 -13.096 3.243 -1.694 1.00 0.00 C ATOM 387 C ASP A 27 -12.663 2.447 -2.927 1.00 0.00 C ATOM 388 O ASP A 27 -13.122 1.319 -3.147 1.00 0.00 O ATOM 389 CB ASP A 27 -13.966 4.431 -2.128 1.00 0.00 C ATOM 390 CG ASP A 27 -15.253 4.011 -2.811 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.261 3.793 -2.107 1.00 0.00 O ATOM 392 OD2 ASP A 27 -15.270 3.898 -4.051 1.00 0.00 O ATOM 0 H ASP A 27 -11.883 4.746 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.669 2.582 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.207 5.035 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.393 5.064 -2.805 1.00 0.00 H new ATOM 397 N ARG A 28 -11.766 3.031 -3.717 1.00 0.00 N ATOM 398 CA ARG A 28 -11.300 2.391 -4.943 1.00 0.00 C ATOM 399 C ARG A 28 -10.448 1.150 -4.660 1.00 0.00 C ATOM 400 O ARG A 28 -10.590 0.127 -5.337 1.00 0.00 O ATOM 401 CB ARG A 28 -10.538 3.386 -5.818 1.00 0.00 C ATOM 402 CG ARG A 28 -11.420 4.494 -6.379 1.00 0.00 C ATOM 403 CD ARG A 28 -10.659 5.396 -7.332 1.00 0.00 C ATOM 404 NE ARG A 28 -11.499 6.476 -7.856 1.00 0.00 N ATOM 405 CZ ARG A 28 -11.166 7.257 -8.886 1.00 0.00 C ATOM 406 NH1 ARG A 28 -10.070 7.002 -9.590 1.00 0.00 N ATOM 407 NH2 ARG A 28 -11.943 8.273 -9.227 1.00 0.00 N ATOM 0 H ARG A 28 -11.349 3.943 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.183 2.056 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.734 3.832 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.071 2.850 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.271 4.053 -6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.821 5.089 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.799 5.824 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.272 4.803 -8.161 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.398 6.642 -7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.480 6.207 -9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.818 7.601 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.798 8.460 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.687 8.869 -10.014 1.00 0.00 H new ATOM 421 N ILE A 29 -9.567 1.244 -3.666 1.00 0.00 N ATOM 422 CA ILE A 29 -8.727 0.111 -3.268 1.00 0.00 C ATOM 423 C ILE A 29 -9.577 -1.037 -2.720 1.00 0.00 C ATOM 424 O ILE A 29 -9.351 -2.194 -3.050 1.00 0.00 O ATOM 425 CB ILE A 29 -7.643 0.522 -2.229 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.611 1.453 -2.883 1.00 0.00 C ATOM 427 CG2 ILE A 29 -6.951 -0.708 -1.644 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.644 2.084 -1.901 1.00 0.00 C ATOM 0 H ILE A 29 -9.415 2.092 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.212 -0.230 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.135 1.053 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.045 0.888 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.137 2.243 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.198 -0.393 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.689 -1.339 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.472 -1.271 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.947 2.727 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.199 2.678 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.090 1.302 -1.383 1.00 0.00 H new ATOM 440 N SER A 30 -10.565 -0.699 -1.902 1.00 0.00 N ATOM 441 CA SER A 30 -11.453 -1.692 -1.305 1.00 0.00 C ATOM 442 C SER A 30 -12.193 -2.469 -2.400 1.00 0.00 C ATOM 443 O SER A 30 -12.355 -3.691 -2.315 1.00 0.00 O ATOM 444 CB SER A 30 -12.451 -1.000 -0.360 1.00 0.00 C ATOM 445 OG SER A 30 -13.319 -1.928 0.268 1.00 0.00 O ATOM 0 H SER A 30 -10.774 0.263 -1.634 1.00 0.00 H new ATOM 0 HA SER A 30 -10.859 -2.400 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.904 -0.444 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.040 -0.276 -0.922 1.00 0.00 H new ATOM 0 HG SER A 30 -13.936 -1.450 0.861 1.00 0.00 H new ATOM 451 N ASN A 31 -12.639 -1.751 -3.426 1.00 0.00 N ATOM 452 CA ASN A 31 -13.337 -2.364 -4.557 1.00 0.00 C ATOM 453 C ASN A 31 -12.388 -3.236 -5.383 1.00 0.00 C ATOM 454 O ASN A 31 -12.808 -4.209 -6.020 1.00 0.00 O ATOM 455 CB ASN A 31 -13.948 -1.284 -5.451 1.00 0.00 C ATOM 456 CG ASN A 31 -14.864 -1.858 -6.514 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.526 -2.871 -6.301 1.00 0.00 O ATOM 458 ND2 ASN A 31 -14.902 -1.221 -7.666 1.00 0.00 N ATOM 0 H ASN A 31 -12.530 -0.740 -3.500 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.130 -2.996 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.508 -0.581 -4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.149 -0.720 -5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.496 -1.566 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.337 -0.383 -7.804 1.00 0.00 H new ATOM 465 N LEU A 32 -11.113 -2.885 -5.360 1.00 0.00 N ATOM 466 CA LEU A 32 -10.098 -3.608 -6.107 1.00 0.00 C ATOM 467 C LEU A 32 -9.854 -4.985 -5.493 1.00 0.00 C ATOM 468 O LEU A 32 -9.715 -5.123 -4.277 1.00 0.00 O ATOM 469 CB LEU A 32 -8.790 -2.803 -6.147 1.00 0.00 C ATOM 470 CG LEU A 32 -7.628 -3.438 -6.920 1.00 0.00 C ATOM 471 CD1 LEU A 32 -7.991 -3.623 -8.386 1.00 0.00 C ATOM 472 CD2 LEU A 32 -6.371 -2.593 -6.782 1.00 0.00 C ATOM 0 H LEU A 32 -10.754 -2.094 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.456 -3.746 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.001 -1.828 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.464 -2.627 -5.122 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.431 -4.421 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.152 -4.075 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.862 -4.273 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.219 -2.654 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.557 -3.059 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.558 -1.596 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.097 -2.518 -5.730 1.00 0.00 H new ATOM 484 N LYS A 33 -9.843 -5.998 -6.332 1.00 0.00 N ATOM 485 CA LYS A 33 -9.602 -7.356 -5.883 1.00 0.00 C ATOM 486 C LYS A 33 -8.107 -7.647 -5.826 1.00 0.00 C ATOM 487 O LYS A 33 -7.321 -7.038 -6.553 1.00 0.00 O ATOM 488 CB LYS A 33 -10.309 -8.357 -6.802 1.00 0.00 C ATOM 489 CG LYS A 33 -11.815 -8.148 -6.892 1.00 0.00 C ATOM 490 CD LYS A 33 -12.482 -8.317 -5.536 1.00 0.00 C ATOM 491 CE LYS A 33 -13.990 -8.141 -5.630 1.00 0.00 C ATOM 492 NZ LYS A 33 -14.363 -6.770 -6.072 1.00 0.00 N ATOM 0 H LYS A 33 -9.999 -5.908 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.009 -7.462 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.881 -8.284 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.112 -9.367 -6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.023 -7.150 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.241 -8.860 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.254 -9.306 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.073 -7.589 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.398 -8.871 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.440 -8.344 -4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.182 -6.439 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.561 -6.126 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.608 -6.786 -7.083 1.00 0.00 H new ATOM 506 N GLY A 34 -7.721 -8.562 -4.953 1.00 0.00 N ATOM 507 CA GLY A 34 -6.328 -8.938 -4.832 1.00 0.00 C ATOM 508 C GLY A 34 -5.576 -8.078 -3.843 1.00 0.00 C ATOM 509 O GLY A 34 -4.358 -8.199 -3.707 1.00 0.00 O ATOM 0 H GLY A 34 -8.352 -9.055 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.263 -9.981 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.850 -8.864 -5.809 1.00 0.00 H new ATOM 513 N ILE A 35 -6.296 -7.207 -3.149 1.00 0.00 N ATOM 514 CA ILE A 35 -5.680 -6.325 -2.171 1.00 0.00 C ATOM 515 C ILE A 35 -5.263 -7.088 -0.924 1.00 0.00 C ATOM 516 O ILE A 35 -5.990 -7.964 -0.443 1.00 0.00 O ATOM 517 CB ILE A 35 -6.602 -5.146 -1.780 1.00 0.00 C ATOM 518 CG1 ILE A 35 -7.934 -5.656 -1.212 1.00 0.00 C ATOM 519 CG2 ILE A 35 -6.836 -4.239 -2.979 1.00 0.00 C ATOM 520 CD1 ILE A 35 -8.817 -4.564 -0.645 1.00 0.00 C ATOM 0 H ILE A 35 -7.305 -7.093 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.791 -5.912 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.107 -4.567 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.478 -6.177 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.728 -6.386 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.486 -3.414 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.882 -3.844 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.307 -4.809 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.739 -5.003 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.294 -4.057 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.055 -3.845 -1.429 1.00 0.00 H new ATOM 532 N ILE A 36 -4.087 -6.768 -0.415 1.00 0.00 N ATOM 533 CA ILE A 36 -3.572 -7.431 0.763 1.00 0.00 C ATOM 534 C ILE A 36 -3.864 -6.603 2.013 1.00 0.00 C ATOM 535 O ILE A 36 -4.662 -7.006 2.861 1.00 0.00 O ATOM 536 CB ILE A 36 -2.044 -7.682 0.649 1.00 0.00 C ATOM 537 CG1 ILE A 36 -1.709 -8.419 -0.661 1.00 0.00 C ATOM 538 CG2 ILE A 36 -1.539 -8.473 1.848 1.00 0.00 C ATOM 539 CD1 ILE A 36 -2.384 -9.774 -0.803 1.00 0.00 C ATOM 0 H ILE A 36 -3.472 -6.052 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.074 -8.395 0.843 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.541 -6.715 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.000 -7.791 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.629 -8.555 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.466 -8.638 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.737 -7.914 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.052 -9.434 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.096 -10.226 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.075 -10.422 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.466 -9.646 -0.776 1.00 0.00 H new ATOM 551 N SER A 37 -3.233 -5.438 2.115 1.00 0.00 N ATOM 552 CA SER A 37 -3.439 -4.563 3.255 1.00 0.00 C ATOM 553 C SER A 37 -2.962 -3.149 2.930 1.00 0.00 C ATOM 554 O SER A 37 -2.081 -2.961 2.090 1.00 0.00 O ATOM 555 CB SER A 37 -2.702 -5.109 4.492 1.00 0.00 C ATOM 556 OG SER A 37 -2.984 -4.335 5.651 1.00 0.00 O ATOM 0 H SER A 37 -2.576 -5.081 1.421 1.00 0.00 H new ATOM 0 HA SER A 37 -4.505 -4.527 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.996 -6.144 4.664 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.628 -5.109 4.306 1.00 0.00 H new ATOM 0 HG SER A 37 -2.503 -4.708 6.419 1.00 0.00 H new ATOM 562 N MET A 38 -3.547 -2.166 3.580 1.00 0.00 N ATOM 563 CA MET A 38 -3.159 -0.782 3.378 1.00 0.00 C ATOM 564 C MET A 38 -3.133 -0.046 4.707 1.00 0.00 C ATOM 565 O MET A 38 -3.889 -0.374 5.623 1.00 0.00 O ATOM 566 CB MET A 38 -4.115 -0.087 2.398 1.00 0.00 C ATOM 567 CG MET A 38 -5.565 -0.056 2.861 1.00 0.00 C ATOM 568 SD MET A 38 -6.658 0.730 1.664 1.00 0.00 S ATOM 569 CE MET A 38 -8.237 0.542 2.486 1.00 0.00 C ATOM 0 H MET A 38 -4.298 -2.299 4.257 1.00 0.00 H new ATOM 0 HA MET A 38 -2.158 -0.763 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.774 0.936 2.238 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.063 -0.595 1.435 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.906 -1.075 3.044 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.628 0.477 3.810 1.00 0.00 H new ATOM 0 HE1 MET A 38 -9.042 0.712 1.771 1.00 0.00 H new ATOM 0 HE2 MET A 38 -8.319 -0.467 2.891 1.00 0.00 H new ATOM 0 HE3 MET A 38 -8.313 1.266 3.297 1.00 0.00 H new ATOM 579 N LYS A 39 -2.244 0.923 4.820 1.00 0.00 N ATOM 580 CA LYS A 39 -2.103 1.706 6.037 1.00 0.00 C ATOM 581 C LYS A 39 -1.995 3.178 5.686 1.00 0.00 C ATOM 582 O LYS A 39 -1.370 3.534 4.690 1.00 0.00 O ATOM 583 CB LYS A 39 -0.844 1.271 6.800 1.00 0.00 C ATOM 584 CG LYS A 39 -0.855 -0.185 7.230 1.00 0.00 C ATOM 585 CD LYS A 39 0.414 -0.560 7.973 1.00 0.00 C ATOM 586 CE LYS A 39 0.430 -2.041 8.329 1.00 0.00 C ATOM 587 NZ LYS A 39 -0.688 -2.412 9.232 1.00 0.00 N ATOM 0 H LYS A 39 -1.601 1.190 4.075 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.978 1.543 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.029 1.447 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.732 1.899 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.719 -0.369 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.965 -0.823 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.282 -0.322 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.495 0.036 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.369 -2.633 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.378 -2.288 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.553 -3.386 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.707 -1.764 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.588 -2.346 8.715 1.00 0.00 H new ATOM 601 N VAL A 40 -2.589 4.033 6.490 1.00 0.00 N ATOM 602 CA VAL A 40 -2.510 5.463 6.244 1.00 0.00 C ATOM 603 C VAL A 40 -2.057 6.211 7.492 1.00 0.00 C ATOM 604 O VAL A 40 -2.453 5.876 8.612 1.00 0.00 O ATOM 605 CB VAL A 40 -3.863 6.053 5.746 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.255 5.455 4.401 1.00 0.00 C ATOM 607 CG2 VAL A 40 -4.971 5.829 6.769 1.00 0.00 C ATOM 0 H VAL A 40 -3.129 3.769 7.314 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.771 5.598 5.454 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.728 7.127 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.203 5.883 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.483 5.679 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.360 4.375 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.903 6.251 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.099 4.760 6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.704 6.315 7.707 1.00 0.00 H new ATOM 617 N SER A 41 -1.213 7.202 7.300 1.00 0.00 N ATOM 618 CA SER A 41 -0.749 8.026 8.391 1.00 0.00 C ATOM 619 C SER A 41 -1.156 9.475 8.140 1.00 0.00 C ATOM 620 O SER A 41 -0.530 10.178 7.344 1.00 0.00 O ATOM 621 CB SER A 41 0.769 7.907 8.527 1.00 0.00 C ATOM 622 OG SER A 41 1.157 6.549 8.696 1.00 0.00 O ATOM 0 H SER A 41 -0.832 7.457 6.389 1.00 0.00 H new ATOM 0 HA SER A 41 -1.203 7.688 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.251 8.320 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.109 8.496 9.379 1.00 0.00 H new ATOM 0 HG SER A 41 2.132 6.495 8.779 1.00 0.00 H new ATOM 628 N LEU A 42 -2.207 9.908 8.817 1.00 0.00 N ATOM 629 CA LEU A 42 -2.757 11.249 8.636 1.00 0.00 C ATOM 630 C LEU A 42 -1.753 12.332 9.024 1.00 0.00 C ATOM 631 O LEU A 42 -1.574 13.312 8.300 1.00 0.00 O ATOM 632 CB LEU A 42 -4.042 11.407 9.456 1.00 0.00 C ATOM 633 CG LEU A 42 -4.730 12.772 9.364 1.00 0.00 C ATOM 634 CD1 LEU A 42 -5.176 13.060 7.938 1.00 0.00 C ATOM 635 CD2 LEU A 42 -5.907 12.840 10.320 1.00 0.00 C ATOM 0 H LEU A 42 -2.704 9.345 9.507 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.984 11.372 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.750 10.642 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.809 11.209 10.502 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.009 13.537 9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.662 14.035 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.308 13.060 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.878 12.292 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.384 13.817 10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.628 12.063 10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.556 12.689 11.341 1.00 0.00 H new ATOM 647 N GLU A 43 -1.093 12.140 10.159 1.00 0.00 N ATOM 648 CA GLU A 43 -0.134 13.116 10.667 1.00 0.00 C ATOM 649 C GLU A 43 1.032 13.312 9.697 1.00 0.00 C ATOM 650 O GLU A 43 1.447 14.439 9.429 1.00 0.00 O ATOM 651 CB GLU A 43 0.399 12.673 12.032 1.00 0.00 C ATOM 652 CG GLU A 43 1.369 13.659 12.659 1.00 0.00 C ATOM 653 CD GLU A 43 1.914 13.182 13.981 1.00 0.00 C ATOM 654 OE1 GLU A 43 2.917 12.439 13.980 1.00 0.00 O ATOM 655 OE2 GLU A 43 1.345 13.546 15.032 1.00 0.00 O ATOM 0 H GLU A 43 -1.204 11.315 10.748 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.654 14.068 10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.442 12.524 12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.895 11.709 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.197 13.834 11.972 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.866 14.615 12.802 1.00 0.00 H new ATOM 662 N GLN A 44 1.549 12.210 9.176 1.00 0.00 N ATOM 663 CA GLN A 44 2.685 12.254 8.264 1.00 0.00 C ATOM 664 C GLN A 44 2.269 12.691 6.865 1.00 0.00 C ATOM 665 O GLN A 44 3.082 13.205 6.101 1.00 0.00 O ATOM 666 CB GLN A 44 3.377 10.895 8.199 1.00 0.00 C ATOM 667 CG GLN A 44 4.060 10.493 9.494 1.00 0.00 C ATOM 668 CD GLN A 44 4.629 9.091 9.442 1.00 0.00 C ATOM 669 OE1 GLN A 44 4.121 8.227 8.732 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.680 8.855 10.197 1.00 0.00 N ATOM 0 H GLN A 44 1.200 11.271 9.369 1.00 0.00 H new ATOM 0 HA GLN A 44 3.384 12.993 8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.641 10.135 7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.117 10.912 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.862 11.199 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.345 10.561 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.072 9.600 10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.103 7.927 10.207 1.00 0.00 H new ATOM 679 N GLY A 45 1.007 12.473 6.531 1.00 0.00 N ATOM 680 CA GLY A 45 0.528 12.811 5.206 1.00 0.00 C ATOM 681 C GLY A 45 0.967 11.784 4.183 1.00 0.00 C ATOM 682 O GLY A 45 0.952 12.038 2.980 1.00 0.00 O ATOM 0 H GLY A 45 0.306 12.069 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.560 12.875 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.903 13.794 4.921 1.00 0.00 H new ATOM 686 N SER A 46 1.365 10.623 4.670 1.00 0.00 N ATOM 687 CA SER A 46 1.829 9.549 3.824 1.00 0.00 C ATOM 688 C SER A 46 1.037 8.274 4.093 1.00 0.00 C ATOM 689 O SER A 46 0.528 8.066 5.197 1.00 0.00 O ATOM 690 CB SER A 46 3.324 9.306 4.049 1.00 0.00 C ATOM 691 OG SER A 46 4.083 10.466 3.728 1.00 0.00 O ATOM 0 H SER A 46 1.374 10.402 5.666 1.00 0.00 H new ATOM 0 HA SER A 46 1.674 9.836 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.499 9.029 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.656 8.468 3.436 1.00 0.00 H new ATOM 0 HG SER A 46 5.034 10.287 3.881 1.00 0.00 H new ATOM 697 N ALA A 47 0.925 7.444 3.085 1.00 0.00 N ATOM 698 CA ALA A 47 0.209 6.196 3.192 1.00 0.00 C ATOM 699 C ALA A 47 1.075 5.056 2.695 1.00 0.00 C ATOM 700 O ALA A 47 1.912 5.242 1.811 1.00 0.00 O ATOM 701 CB ALA A 47 -1.090 6.262 2.402 1.00 0.00 C ATOM 0 H ALA A 47 1.329 7.615 2.164 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.034 6.018 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.619 5.313 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.714 7.065 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.868 6.455 1.352 1.00 0.00 H new ATOM 707 N THR A 48 0.880 3.890 3.263 1.00 0.00 N ATOM 708 CA THR A 48 1.640 2.724 2.887 1.00 0.00 C ATOM 709 C THR A 48 0.707 1.680 2.287 1.00 0.00 C ATOM 710 O THR A 48 -0.284 1.291 2.906 1.00 0.00 O ATOM 711 CB THR A 48 2.355 2.124 4.116 1.00 0.00 C ATOM 712 OG1 THR A 48 3.202 3.117 4.709 1.00 0.00 O ATOM 713 CG2 THR A 48 3.200 0.917 3.720 1.00 0.00 C ATOM 0 H THR A 48 0.192 3.724 3.997 1.00 0.00 H new ATOM 0 HA THR A 48 2.389 3.018 2.152 1.00 0.00 H new ATOM 0 HB THR A 48 1.597 1.801 4.830 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.655 2.736 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.693 0.513 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.559 0.153 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.952 1.222 2.992 1.00 0.00 H new ATOM 721 N VAL A 49 1.018 1.232 1.092 1.00 0.00 N ATOM 722 CA VAL A 49 0.190 0.253 0.423 1.00 0.00 C ATOM 723 C VAL A 49 0.944 -1.056 0.252 1.00 0.00 C ATOM 724 O VAL A 49 2.055 -1.081 -0.287 1.00 0.00 O ATOM 725 CB VAL A 49 -0.285 0.759 -0.964 1.00 0.00 C ATOM 726 CG1 VAL A 49 -1.155 -0.285 -1.655 1.00 0.00 C ATOM 727 CG2 VAL A 49 -1.038 2.077 -0.827 1.00 0.00 C ATOM 0 H VAL A 49 1.838 1.529 0.563 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.687 0.089 1.049 1.00 0.00 H new ATOM 0 HB VAL A 49 0.597 0.929 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.476 0.093 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.582 -1.202 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.030 -0.494 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.363 2.415 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.909 1.934 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.382 2.827 -0.384 1.00 0.00 H new ATOM 737 N LYS A 50 0.351 -2.127 0.741 1.00 0.00 N ATOM 738 CA LYS A 50 0.916 -3.451 0.612 1.00 0.00 C ATOM 739 C LYS A 50 0.120 -4.217 -0.434 1.00 0.00 C ATOM 740 O LYS A 50 -1.030 -4.614 -0.192 1.00 0.00 O ATOM 741 CB LYS A 50 0.863 -4.161 1.970 1.00 0.00 C ATOM 742 CG LYS A 50 1.446 -5.562 1.989 1.00 0.00 C ATOM 743 CD LYS A 50 1.363 -6.151 3.388 1.00 0.00 C ATOM 744 CE LYS A 50 1.931 -7.555 3.445 1.00 0.00 C ATOM 745 NZ LYS A 50 1.862 -8.119 4.815 1.00 0.00 N ATOM 0 H LYS A 50 -0.538 -2.101 1.240 1.00 0.00 H new ATOM 0 HA LYS A 50 1.958 -3.396 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.396 -3.553 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.176 -4.213 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.906 -6.197 1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.485 -5.535 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.906 -5.511 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.323 -6.167 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.381 -8.198 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.968 -7.542 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.259 -9.080 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.408 -7.519 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.870 -8.154 5.126 1.00 0.00 H new ATOM 759 N TYR A 51 0.721 -4.422 -1.588 1.00 0.00 N ATOM 760 CA TYR A 51 0.034 -5.057 -2.693 1.00 0.00 C ATOM 761 C TYR A 51 1.043 -5.758 -3.593 1.00 0.00 C ATOM 762 O TYR A 51 2.211 -5.371 -3.639 1.00 0.00 O ATOM 763 CB TYR A 51 -0.747 -3.995 -3.492 1.00 0.00 C ATOM 764 CG TYR A 51 -1.761 -4.563 -4.461 1.00 0.00 C ATOM 765 CD1 TYR A 51 -1.408 -4.908 -5.754 1.00 0.00 C ATOM 766 CD2 TYR A 51 -3.075 -4.758 -4.072 1.00 0.00 C ATOM 767 CE1 TYR A 51 -2.335 -5.432 -6.630 1.00 0.00 C ATOM 768 CE2 TYR A 51 -4.006 -5.280 -4.945 1.00 0.00 C ATOM 769 CZ TYR A 51 -3.632 -5.616 -6.219 1.00 0.00 C ATOM 770 OH TYR A 51 -4.562 -6.137 -7.090 1.00 0.00 O ATOM 0 H TYR A 51 1.686 -4.157 -1.785 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.666 -5.798 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.261 -3.336 -2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.038 -3.380 -4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.389 -4.764 -6.082 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.376 -4.497 -3.068 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.042 -5.697 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.027 -5.424 -4.625 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.388 -6.341 -6.603 1.00 0.00 H new ATOM 780 N VAL A 52 0.604 -6.799 -4.280 1.00 0.00 N ATOM 781 CA VAL A 52 1.473 -7.527 -5.188 1.00 0.00 C ATOM 782 C VAL A 52 1.570 -6.770 -6.525 1.00 0.00 C ATOM 783 O VAL A 52 0.589 -6.677 -7.268 1.00 0.00 O ATOM 784 CB VAL A 52 0.935 -8.952 -5.437 1.00 0.00 C ATOM 785 CG1 VAL A 52 1.888 -9.746 -6.308 1.00 0.00 C ATOM 786 CG2 VAL A 52 0.686 -9.668 -4.118 1.00 0.00 C ATOM 0 H VAL A 52 -0.349 -7.159 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 52 2.462 -7.605 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.014 -8.869 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.486 -10.746 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.007 -9.244 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.857 -9.819 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.307 -10.671 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.619 -9.736 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.047 -9.111 -3.534 1.00 0.00 H new ATOM 796 N PRO A 53 2.769 -6.253 -6.857 1.00 0.00 N ATOM 797 CA PRO A 53 2.978 -5.403 -8.044 1.00 0.00 C ATOM 798 C PRO A 53 2.775 -6.132 -9.368 1.00 0.00 C ATOM 799 O PRO A 53 2.534 -5.500 -10.396 1.00 0.00 O ATOM 800 CB PRO A 53 4.433 -4.943 -7.902 1.00 0.00 C ATOM 801 CG PRO A 53 5.077 -5.993 -7.069 1.00 0.00 C ATOM 802 CD PRO A 53 4.022 -6.463 -6.110 1.00 0.00 C ATOM 0 HA PRO A 53 2.252 -4.591 -8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.918 -4.855 -8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.495 -3.965 -7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.437 -6.815 -7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.940 -5.594 -6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.160 -7.510 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.038 -5.891 -5.182 1.00 0.00 H new ATOM 810 N SER A 54 2.895 -7.450 -9.350 1.00 0.00 N ATOM 811 CA SER A 54 2.719 -8.238 -10.556 1.00 0.00 C ATOM 812 C SER A 54 1.282 -8.153 -11.069 1.00 0.00 C ATOM 813 O SER A 54 1.043 -8.176 -12.276 1.00 0.00 O ATOM 814 CB SER A 54 3.132 -9.692 -10.318 1.00 0.00 C ATOM 815 OG SER A 54 2.358 -10.283 -9.293 1.00 0.00 O ATOM 0 H SER A 54 3.113 -7.994 -8.515 1.00 0.00 H new ATOM 0 HA SER A 54 3.369 -7.822 -11.326 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.015 -10.262 -11.240 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.188 -9.734 -10.050 1.00 0.00 H new ATOM 0 HG SER A 54 2.642 -11.212 -9.163 1.00 0.00 H new ATOM 821 N VAL A 55 0.333 -8.040 -10.152 1.00 0.00 N ATOM 822 CA VAL A 55 -1.066 -7.956 -10.526 1.00 0.00 C ATOM 823 C VAL A 55 -1.433 -6.514 -10.873 1.00 0.00 C ATOM 824 O VAL A 55 -1.807 -6.212 -12.006 1.00 0.00 O ATOM 825 CB VAL A 55 -1.983 -8.457 -9.388 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.439 -8.446 -9.823 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.565 -9.846 -8.936 1.00 0.00 C ATOM 0 H VAL A 55 0.508 -8.005 -9.148 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.214 -8.594 -11.397 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.879 -7.777 -8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.066 -8.803 -9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.732 -7.430 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.565 -9.097 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.223 -10.181 -8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.634 -10.538 -9.775 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.537 -9.817 -8.574 1.00 0.00 H new ATOM 837 N VAL A 56 -1.304 -5.630 -9.897 1.00 0.00 N ATOM 838 CA VAL A 56 -1.590 -4.217 -10.096 1.00 0.00 C ATOM 839 C VAL A 56 -0.424 -3.376 -9.612 1.00 0.00 C ATOM 840 O VAL A 56 0.044 -3.541 -8.487 1.00 0.00 O ATOM 841 CB VAL A 56 -2.894 -3.767 -9.368 1.00 0.00 C ATOM 842 CG1 VAL A 56 -3.129 -2.274 -9.537 1.00 0.00 C ATOM 843 CG2 VAL A 56 -4.094 -4.546 -9.882 1.00 0.00 C ATOM 0 H VAL A 56 -1.001 -5.868 -8.952 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.740 -4.069 -11.165 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.769 -3.977 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.045 -1.989 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.288 -1.723 -9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.223 -2.038 -10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.993 -4.216 -9.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.210 -4.371 -10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.941 -5.610 -9.703 1.00 0.00 H new ATOM 853 N CYS A 57 0.055 -2.500 -10.466 1.00 0.00 N ATOM 854 CA CYS A 57 1.140 -1.619 -10.108 1.00 0.00 C ATOM 855 C CYS A 57 0.632 -0.484 -9.224 1.00 0.00 C ATOM 856 O CYS A 57 -0.549 -0.116 -9.280 1.00 0.00 O ATOM 857 CB CYS A 57 1.786 -1.050 -11.368 1.00 0.00 C ATOM 858 SG CYS A 57 0.675 -0.020 -12.354 1.00 0.00 S ATOM 0 H CYS A 57 -0.293 -2.380 -11.417 1.00 0.00 H new ATOM 0 HA CYS A 57 1.884 -2.189 -9.552 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.657 -0.460 -11.084 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.146 -1.874 -11.985 1.00 0.00 H new ATOM 0 HG CYS A 57 1.307 0.421 -13.401 1.00 0.00 H new ATOM 864 N LEU A 58 1.522 0.087 -8.438 1.00 0.00 N ATOM 865 CA LEU A 58 1.171 1.184 -7.552 1.00 0.00 C ATOM 866 C LEU A 58 0.929 2.465 -8.344 1.00 0.00 C ATOM 867 O LEU A 58 0.344 3.423 -7.834 1.00 0.00 O ATOM 868 CB LEU A 58 2.247 1.403 -6.473 1.00 0.00 C ATOM 869 CG LEU A 58 2.331 0.344 -5.351 1.00 0.00 C ATOM 870 CD1 LEU A 58 0.984 0.160 -4.672 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.860 -0.988 -5.873 1.00 0.00 C ATOM 0 H LEU A 58 2.502 -0.192 -8.393 1.00 0.00 H new ATOM 0 HA LEU A 58 0.245 0.915 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.218 1.454 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.073 2.375 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 58 3.040 0.713 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.072 -0.591 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.664 1.106 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.248 -0.168 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.905 -1.707 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.195 -1.364 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.858 -0.846 -6.287 1.00 0.00 H new ATOM 883 N GLN A 59 1.385 2.477 -9.597 1.00 0.00 N ATOM 884 CA GLN A 59 1.189 3.625 -10.475 1.00 0.00 C ATOM 885 C GLN A 59 -0.301 3.874 -10.692 1.00 0.00 C ATOM 886 O GLN A 59 -0.763 5.011 -10.656 1.00 0.00 O ATOM 887 CB GLN A 59 1.865 3.383 -11.826 1.00 0.00 C ATOM 888 CG GLN A 59 3.383 3.383 -11.778 1.00 0.00 C ATOM 889 CD GLN A 59 3.950 4.722 -11.363 1.00 0.00 C ATOM 890 OE1 GLN A 59 4.220 4.961 -10.185 1.00 0.00 O ATOM 891 NE2 GLN A 59 4.134 5.604 -12.325 1.00 0.00 N ATOM 0 H GLN A 59 1.893 1.703 -10.025 1.00 0.00 H new ATOM 0 HA GLN A 59 1.636 4.499 -10.002 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.526 2.425 -12.221 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.536 4.151 -12.526 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.721 2.617 -11.080 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.774 3.115 -12.759 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.897 5.365 -13.288 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.513 6.525 -12.107 1.00 0.00 H new ATOM 900 N GLN A 60 -1.051 2.794 -10.892 1.00 0.00 N ATOM 901 CA GLN A 60 -2.492 2.888 -11.089 1.00 0.00 C ATOM 902 C GLN A 60 -3.171 3.409 -9.828 1.00 0.00 C ATOM 903 O GLN A 60 -4.113 4.191 -9.898 1.00 0.00 O ATOM 904 CB GLN A 60 -3.077 1.543 -11.520 1.00 0.00 C ATOM 905 CG GLN A 60 -2.661 1.129 -12.928 1.00 0.00 C ATOM 906 CD GLN A 60 -3.122 -0.266 -13.297 1.00 0.00 C ATOM 907 OE1 GLN A 60 -3.263 -1.132 -12.443 1.00 0.00 O ATOM 908 NE2 GLN A 60 -3.354 -0.491 -14.573 1.00 0.00 N ATOM 0 H GLN A 60 -0.683 1.843 -10.922 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.682 3.599 -11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.762 0.774 -10.814 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.165 1.595 -11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.068 1.842 -13.645 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.575 1.180 -13.010 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.225 0.257 -15.254 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.663 -1.413 -14.880 1.00 0.00 H new ATOM 917 N VAL A 61 -2.670 2.974 -8.677 1.00 0.00 N ATOM 918 CA VAL A 61 -3.181 3.427 -7.381 1.00 0.00 C ATOM 919 C VAL A 61 -2.989 4.943 -7.250 1.00 0.00 C ATOM 920 O VAL A 61 -3.873 5.665 -6.772 1.00 0.00 O ATOM 921 CB VAL A 61 -2.462 2.703 -6.211 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.861 3.298 -4.864 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.756 1.210 -6.247 1.00 0.00 C ATOM 0 H VAL A 61 -1.905 2.303 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.243 3.186 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.389 2.849 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.341 2.770 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.590 4.353 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.937 3.196 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.244 0.718 -5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.830 1.048 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.405 0.793 -7.191 1.00 0.00 H new ATOM 933 N CYS A 62 -1.836 5.415 -7.703 1.00 0.00 N ATOM 934 CA CYS A 62 -1.523 6.836 -7.695 1.00 0.00 C ATOM 935 C CYS A 62 -2.536 7.589 -8.561 1.00 0.00 C ATOM 936 O CYS A 62 -2.975 8.685 -8.222 1.00 0.00 O ATOM 937 CB CYS A 62 -0.106 7.062 -8.224 1.00 0.00 C ATOM 938 SG CYS A 62 1.193 6.445 -7.130 1.00 0.00 S ATOM 0 H CYS A 62 -1.095 4.827 -8.084 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.578 7.211 -6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.010 6.577 -9.195 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.045 8.129 -8.385 1.00 0.00 H new ATOM 0 HG CYS A 62 1.195 5.145 -7.149 1.00 0.00 H new ATOM 944 N HIS A 63 -2.907 6.984 -9.676 1.00 0.00 N ATOM 945 CA HIS A 63 -3.898 7.568 -10.567 1.00 0.00 C ATOM 946 C HIS A 63 -5.279 7.588 -9.927 1.00 0.00 C ATOM 947 O HIS A 63 -6.090 8.450 -10.235 1.00 0.00 O ATOM 948 CB HIS A 63 -3.944 6.844 -11.915 1.00 0.00 C ATOM 949 CG HIS A 63 -2.802 7.186 -12.818 1.00 0.00 C ATOM 950 ND1 HIS A 63 -2.799 8.296 -13.627 1.00 0.00 N ATOM 951 CD2 HIS A 63 -1.618 6.569 -13.029 1.00 0.00 C ATOM 952 CE1 HIS A 63 -1.662 8.349 -14.296 1.00 0.00 C ATOM 953 NE2 HIS A 63 -0.928 7.313 -13.951 1.00 0.00 N ATOM 0 H HIS A 63 -2.537 6.086 -9.988 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.592 8.598 -10.749 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.948 5.768 -11.740 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.880 7.089 -12.418 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.278 5.658 -12.558 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.382 9.113 -15.006 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.002 7.098 -14.311 1.00 0.00 H new ATOM 961 N GLN A 64 -5.547 6.635 -9.033 1.00 0.00 N ATOM 962 CA GLN A 64 -6.842 6.572 -8.358 1.00 0.00 C ATOM 963 C GLN A 64 -7.075 7.834 -7.528 1.00 0.00 C ATOM 964 O GLN A 64 -8.172 8.392 -7.526 1.00 0.00 O ATOM 965 CB GLN A 64 -6.936 5.332 -7.455 1.00 0.00 C ATOM 966 CG GLN A 64 -6.995 4.012 -8.211 1.00 0.00 C ATOM 967 CD GLN A 64 -6.903 2.808 -7.289 1.00 0.00 C ATOM 968 OE1 GLN A 64 -6.286 2.869 -6.232 1.00 0.00 O ATOM 969 NE2 GLN A 64 -7.519 1.709 -7.685 1.00 0.00 N ATOM 0 H GLN A 64 -4.891 5.903 -8.762 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.613 6.501 -9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.075 5.317 -6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.824 5.419 -6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.926 3.962 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.180 3.975 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.022 1.698 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.491 0.871 -7.104 1.00 0.00 H new ATOM 978 N ILE A 65 -6.038 8.287 -6.832 1.00 0.00 N ATOM 979 CA ILE A 65 -6.144 9.503 -6.033 1.00 0.00 C ATOM 980 C ILE A 65 -6.019 10.763 -6.903 1.00 0.00 C ATOM 981 O ILE A 65 -6.731 11.752 -6.690 1.00 0.00 O ATOM 982 CB ILE A 65 -5.114 9.534 -4.869 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.325 10.770 -3.992 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.687 9.470 -5.384 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.504 10.764 -2.723 1.00 0.00 C ATOM 0 H ILE A 65 -5.123 7.836 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.139 9.495 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.280 8.647 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.078 11.661 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.381 10.843 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.995 9.494 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.544 8.547 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.496 10.323 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.707 11.671 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.768 9.893 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.444 10.723 -2.975 1.00 0.00 H new ATOM 997 N GLY A 66 -5.125 10.714 -7.890 1.00 0.00 N ATOM 998 CA GLY A 66 -4.936 11.844 -8.785 1.00 0.00 C ATOM 999 C GLY A 66 -6.187 12.160 -9.578 1.00 0.00 C ATOM 1000 O GLY A 66 -6.521 13.324 -9.784 1.00 0.00 O ATOM 0 H GLY A 66 -4.528 9.910 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.644 12.720 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.117 11.629 -9.472 1.00 0.00 H new ATOM 1004 N ASP A 67 -6.883 11.112 -10.008 1.00 0.00 N ATOM 1005 CA ASP A 67 -8.132 11.242 -10.766 1.00 0.00 C ATOM 1006 C ASP A 67 -9.165 12.010 -9.960 1.00 0.00 C ATOM 1007 O ASP A 67 -9.917 12.822 -10.498 1.00 0.00 O ATOM 1008 CB ASP A 67 -8.679 9.858 -11.116 1.00 0.00 C ATOM 1009 CG ASP A 67 -9.962 9.914 -11.913 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -9.903 10.203 -13.127 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -11.037 9.654 -11.329 1.00 0.00 O ATOM 0 H ASP A 67 -6.600 10.146 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.923 11.790 -11.685 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.928 9.310 -11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.853 9.299 -10.197 1.00 0.00 H new ATOM 1016 N MET A 68 -9.192 11.741 -8.665 1.00 0.00 N ATOM 1017 CA MET A 68 -10.105 12.409 -7.750 1.00 0.00 C ATOM 1018 C MET A 68 -9.839 13.920 -7.708 1.00 0.00 C ATOM 1019 O MET A 68 -10.743 14.710 -7.456 1.00 0.00 O ATOM 1020 CB MET A 68 -10.002 11.807 -6.348 1.00 0.00 C ATOM 1021 CG MET A 68 -11.029 12.355 -5.373 1.00 0.00 C ATOM 1022 SD MET A 68 -12.723 12.011 -5.878 1.00 0.00 S ATOM 1023 CE MET A 68 -13.630 12.932 -4.640 1.00 0.00 C ATOM 0 H MET A 68 -8.583 11.055 -8.218 1.00 0.00 H new ATOM 0 HA MET A 68 -11.119 12.255 -8.118 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.120 10.726 -6.417 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.003 11.994 -5.954 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.854 11.924 -4.387 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.895 13.433 -5.278 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.700 12.820 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.382 12.551 -3.649 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.361 13.986 -4.701 1.00 0.00 H new ATOM 1033 N GLY A 69 -8.596 14.312 -7.948 1.00 0.00 N ATOM 1034 CA GLY A 69 -8.255 15.722 -7.932 1.00 0.00 C ATOM 1035 C GLY A 69 -7.239 16.063 -6.869 1.00 0.00 C ATOM 1036 O GLY A 69 -6.957 17.236 -6.621 1.00 0.00 O ATOM 0 H GLY A 69 -7.820 13.683 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.864 16.008 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.159 16.308 -7.767 1.00 0.00 H new ATOM 1040 N PHE A 70 -6.686 15.046 -6.243 1.00 0.00 N ATOM 1041 CA PHE A 70 -5.690 15.239 -5.208 1.00 0.00 C ATOM 1042 C PHE A 70 -4.315 14.871 -5.727 1.00 0.00 C ATOM 1043 O PHE A 70 -4.183 14.025 -6.612 1.00 0.00 O ATOM 1044 CB PHE A 70 -6.027 14.410 -3.972 1.00 0.00 C ATOM 1045 CG PHE A 70 -7.298 14.825 -3.295 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -7.285 15.807 -2.323 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -8.504 14.229 -3.624 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -8.448 16.188 -1.691 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.672 14.606 -2.994 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.644 15.586 -2.027 1.00 0.00 C ATOM 0 H PHE A 70 -6.911 14.070 -6.434 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.689 16.292 -4.925 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.105 13.361 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.205 14.486 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.352 16.281 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.530 13.460 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.424 16.957 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.606 14.134 -3.259 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.557 15.883 -1.532 1.00 0.00 H new ATOM 1060 N GLU A 71 -3.298 15.521 -5.201 1.00 0.00 N ATOM 1061 CA GLU A 71 -1.935 15.267 -5.628 1.00 0.00 C ATOM 1062 C GLU A 71 -1.283 14.225 -4.739 1.00 0.00 C ATOM 1063 O GLU A 71 -1.467 14.233 -3.518 1.00 0.00 O ATOM 1064 CB GLU A 71 -1.120 16.558 -5.597 1.00 0.00 C ATOM 1065 CG GLU A 71 -1.651 17.649 -6.507 1.00 0.00 C ATOM 1066 CD GLU A 71 -0.868 18.933 -6.380 1.00 0.00 C ATOM 1067 OE1 GLU A 71 -1.154 19.715 -5.451 1.00 0.00 O ATOM 1068 OE2 GLU A 71 0.032 19.177 -7.213 1.00 0.00 O ATOM 0 H GLU A 71 -3.388 16.232 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.962 14.889 -6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.094 16.934 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.092 16.333 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.616 17.306 -7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.698 17.839 -6.270 1.00 0.00 H new ATOM 1075 N ALA A 72 -0.537 13.328 -5.351 1.00 0.00 N ATOM 1076 CA ALA A 72 0.160 12.295 -4.623 1.00 0.00 C ATOM 1077 C ALA A 72 1.460 11.935 -5.318 1.00 0.00 C ATOM 1078 O ALA A 72 1.566 12.020 -6.546 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.717 11.063 -4.479 1.00 0.00 C ATOM 0 H ALA A 72 -0.399 13.297 -6.361 1.00 0.00 H new ATOM 0 HA ALA A 72 0.393 12.676 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.176 10.294 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.627 11.325 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.978 10.685 -5.467 1.00 0.00 H new ATOM 1085 N SER A 73 2.439 11.537 -4.541 1.00 0.00 N ATOM 1086 CA SER A 73 3.717 11.130 -5.079 1.00 0.00 C ATOM 1087 C SER A 73 4.085 9.759 -4.530 1.00 0.00 C ATOM 1088 O SER A 73 3.876 9.481 -3.346 1.00 0.00 O ATOM 1089 CB SER A 73 4.801 12.166 -4.750 1.00 0.00 C ATOM 1090 OG SER A 73 6.063 11.773 -5.265 1.00 0.00 O ATOM 0 H SER A 73 2.374 11.486 -3.524 1.00 0.00 H new ATOM 0 HA SER A 73 3.644 11.066 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.521 13.133 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.870 12.293 -3.670 1.00 0.00 H new ATOM 0 HG SER A 73 6.733 12.452 -5.042 1.00 0.00 H new ATOM 1096 N ILE A 74 4.626 8.915 -5.387 1.00 0.00 N ATOM 1097 CA ILE A 74 4.952 7.546 -5.024 1.00 0.00 C ATOM 1098 C ILE A 74 6.436 7.383 -4.717 1.00 0.00 C ATOM 1099 O ILE A 74 7.294 7.960 -5.387 1.00 0.00 O ATOM 1100 CB ILE A 74 4.541 6.561 -6.154 1.00 0.00 C ATOM 1101 CG1 ILE A 74 4.905 5.116 -5.787 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.177 6.961 -7.484 1.00 0.00 C ATOM 1103 CD1 ILE A 74 4.414 4.091 -6.784 1.00 0.00 C ATOM 0 H ILE A 74 4.852 9.156 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 74 4.388 7.312 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 74 3.458 6.615 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.989 5.035 -5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.489 4.884 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.874 6.256 -8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.849 7.964 -7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.263 6.949 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.709 3.094 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.327 4.143 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.851 4.296 -7.761 1.00 0.00 H new ATOM 1115 N ALA A 75 6.718 6.614 -3.687 1.00 0.00 N ATOM 1116 CA ALA A 75 8.067 6.311 -3.282 1.00 0.00 C ATOM 1117 C ALA A 75 8.111 4.920 -2.672 1.00 0.00 C ATOM 1118 O ALA A 75 7.082 4.371 -2.280 1.00 0.00 O ATOM 1119 CB ALA A 75 8.566 7.348 -2.282 1.00 0.00 C ATOM 0 H ALA A 75 6.005 6.178 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 75 8.719 6.339 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.586 7.106 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.547 8.336 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.922 7.345 -1.403 1.00 0.00 H new ATOM 1125 N GLU A 76 9.269 4.331 -2.633 1.00 0.00 N ATOM 1126 CA GLU A 76 9.417 3.035 -2.024 1.00 0.00 C ATOM 1127 C GLU A 76 9.822 3.196 -0.569 1.00 0.00 C ATOM 1128 O GLU A 76 9.034 2.802 0.315 1.00 0.00 O ATOM 1129 CB GLU A 76 10.411 2.133 -2.796 1.00 0.00 C ATOM 1130 CG GLU A 76 11.728 2.794 -3.207 1.00 0.00 C ATOM 1131 CD GLU A 76 11.570 3.808 -4.322 1.00 0.00 C ATOM 1132 OE1 GLU A 76 11.457 3.401 -5.500 1.00 0.00 O ATOM 1133 OE2 GLU A 76 11.557 5.024 -4.026 1.00 0.00 O ATOM 1134 OXT GLU A 76 10.898 3.773 -0.311 1.00 0.00 O ATOM 0 H GLU A 76 10.129 4.725 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 76 8.453 2.528 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.639 1.264 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.916 1.764 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.166 3.286 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.430 2.023 -3.524 1.00 0.00 H new TER 1141 GLU A 76