USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 686 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 60 MET CE :methyl -161:sc= -0.408 (180deg=-1.55!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 ASN : amide:sc= -3.69! C(o=-4.1!,f=-4.4!) USER MOD Set 2.1: A 24 THR OG1 : rot 151:sc= -0.125 USER MOD Set 2.2: A 34 GLN : amide:sc= 0.346 K(o=0.22,f=-1.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.67! C(o=-1.7!,f=-3.3!) USER MOD Single : A 11 CYS SG : rot 31:sc= 0.181 USER MOD Single : A 15 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.58) USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= -0.339 (180deg=-1.2) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.2) USER MOD Single : A 26 SER OG : rot 47:sc= 0.146 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0756 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -118:sc= -1.02 (180deg=-3.81!) USER MOD Single : A 57 ASN : amide:sc= -9.81! C(o=-9.8!,f=-16!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -79:sc= 0.46 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -179:sc= -0.0478 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 38:sc= 0.201 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.03 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.602 -15.826 -12.867 1.00 0.00 N ATOM 2 CA GLY A 1 -16.616 -14.866 -12.408 1.00 0.00 C ATOM 3 C GLY A 1 -16.445 -13.706 -13.369 1.00 0.00 C ATOM 4 O GLY A 1 -15.941 -13.879 -14.479 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.682 -16.599 -12.176 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.524 -15.355 -12.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.308 -16.213 -13.787 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.913 -14.484 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.658 -15.369 -12.276 1.00 0.00 H new ATOM 8 N SER A 2 -16.866 -12.519 -12.943 1.00 0.00 N ATOM 9 CA SER A 2 -16.762 -11.327 -13.776 1.00 0.00 C ATOM 10 C SER A 2 -15.334 -10.789 -13.778 1.00 0.00 C ATOM 11 O SER A 2 -14.652 -10.802 -12.753 1.00 0.00 O ATOM 12 CB SER A 2 -17.725 -10.247 -13.279 1.00 0.00 C ATOM 13 OG SER A 2 -17.453 -8.999 -13.894 1.00 0.00 O ATOM 0 H SER A 2 -17.282 -12.358 -12.026 1.00 0.00 H new ATOM 0 HA SER A 2 -17.030 -11.602 -14.796 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.752 -10.545 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.639 -10.149 -12.197 1.00 0.00 H new ATOM 0 HG SER A 2 -18.083 -8.326 -13.561 1.00 0.00 H new ATOM 19 N SER A 3 -14.889 -10.316 -14.937 1.00 0.00 N ATOM 20 CA SER A 3 -13.541 -9.777 -15.076 1.00 0.00 C ATOM 21 C SER A 3 -13.523 -8.278 -14.788 1.00 0.00 C ATOM 22 O SER A 3 -14.507 -7.578 -15.023 1.00 0.00 O ATOM 23 CB SER A 3 -13.004 -10.044 -16.483 1.00 0.00 C ATOM 24 OG SER A 3 -12.883 -11.434 -16.728 1.00 0.00 O ATOM 0 H SER A 3 -15.442 -10.295 -15.794 1.00 0.00 H new ATOM 0 HA SER A 3 -12.900 -10.277 -14.350 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.671 -9.598 -17.221 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.032 -9.565 -16.602 1.00 0.00 H new ATOM 0 HG SER A 3 -12.539 -11.578 -17.634 1.00 0.00 H new ATOM 30 N GLY A 4 -12.395 -7.793 -14.277 1.00 0.00 N ATOM 31 CA GLY A 4 -12.269 -6.382 -13.965 1.00 0.00 C ATOM 32 C GLY A 4 -12.998 -6.002 -12.692 1.00 0.00 C ATOM 33 O GLY A 4 -14.228 -5.976 -12.656 1.00 0.00 O ATOM 0 H GLY A 4 -11.567 -8.352 -14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.214 -6.128 -13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.661 -5.793 -14.794 1.00 0.00 H new ATOM 37 N SER A 5 -12.238 -5.708 -11.642 1.00 0.00 N ATOM 38 CA SER A 5 -12.819 -5.333 -10.358 1.00 0.00 C ATOM 39 C SER A 5 -13.866 -4.238 -10.535 1.00 0.00 C ATOM 40 O SER A 5 -13.720 -3.355 -11.380 1.00 0.00 O ATOM 41 CB SER A 5 -11.726 -4.860 -9.398 1.00 0.00 C ATOM 42 OG SER A 5 -12.134 -5.005 -8.049 1.00 0.00 O ATOM 0 H SER A 5 -11.218 -5.722 -11.655 1.00 0.00 H new ATOM 0 HA SER A 5 -13.306 -6.212 -9.937 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.815 -5.433 -9.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.488 -3.815 -9.599 1.00 0.00 H new ATOM 0 HG SER A 5 -11.417 -4.697 -7.456 1.00 0.00 H new ATOM 48 N SER A 6 -14.922 -4.302 -9.731 1.00 0.00 N ATOM 49 CA SER A 6 -15.997 -3.319 -9.800 1.00 0.00 C ATOM 50 C SER A 6 -15.672 -2.099 -8.944 1.00 0.00 C ATOM 51 O SER A 6 -14.940 -2.194 -7.960 1.00 0.00 O ATOM 52 CB SER A 6 -17.317 -3.941 -9.341 1.00 0.00 C ATOM 53 OG SER A 6 -17.628 -5.096 -10.101 1.00 0.00 O ATOM 0 H SER A 6 -15.056 -5.025 -9.024 1.00 0.00 H new ATOM 0 HA SER A 6 -16.097 -2.998 -10.837 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.251 -4.203 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.120 -3.211 -9.438 1.00 0.00 H new ATOM 0 HG SER A 6 -18.475 -5.476 -9.787 1.00 0.00 H new ATOM 59 N GLY A 7 -16.223 -0.951 -9.327 1.00 0.00 N ATOM 60 CA GLY A 7 -15.981 0.273 -8.585 1.00 0.00 C ATOM 61 C GLY A 7 -15.047 1.218 -9.314 1.00 0.00 C ATOM 62 O GLY A 7 -15.079 1.311 -10.541 1.00 0.00 O ATOM 0 H GLY A 7 -16.833 -0.847 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.930 0.776 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.556 0.026 -7.612 1.00 0.00 H new ATOM 66 N VAL A 8 -14.212 1.924 -8.557 1.00 0.00 N ATOM 67 CA VAL A 8 -13.265 2.867 -9.139 1.00 0.00 C ATOM 68 C VAL A 8 -11.961 2.894 -8.349 1.00 0.00 C ATOM 69 O VAL A 8 -11.970 3.000 -7.123 1.00 0.00 O ATOM 70 CB VAL A 8 -13.851 4.291 -9.190 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.925 4.889 -7.794 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.025 5.173 -10.114 1.00 0.00 C ATOM 0 H VAL A 8 -14.173 1.860 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.064 2.528 -10.155 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.864 4.234 -9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.341 5.895 -7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.562 4.267 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.924 4.934 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.453 6.175 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.000 5.225 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.030 4.752 -11.119 1.00 0.00 H new ATOM 82 N GLN A 9 -10.843 2.799 -9.060 1.00 0.00 N ATOM 83 CA GLN A 9 -9.531 2.813 -8.425 1.00 0.00 C ATOM 84 C GLN A 9 -8.799 4.119 -8.715 1.00 0.00 C ATOM 85 O GLN A 9 -9.141 4.839 -9.653 1.00 0.00 O ATOM 86 CB GLN A 9 -8.694 1.628 -8.910 1.00 0.00 C ATOM 87 CG GLN A 9 -9.521 0.404 -9.267 1.00 0.00 C ATOM 88 CD GLN A 9 -8.682 -0.722 -9.840 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.816 -0.497 -10.685 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.935 -1.942 -9.380 1.00 0.00 N ATOM 0 H GLN A 9 -10.819 2.712 -10.076 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.676 2.731 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.118 1.934 -9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.978 1.358 -8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.039 0.048 -8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.286 0.686 -9.990 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.663 -2.082 -8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.402 -2.739 -9.728 1.00 0.00 H new ATOM 99 N ARG A 10 -7.791 4.420 -7.902 1.00 0.00 N ATOM 100 CA ARG A 10 -7.012 5.641 -8.070 1.00 0.00 C ATOM 101 C ARG A 10 -5.525 5.324 -8.198 1.00 0.00 C ATOM 102 O ARG A 10 -4.927 4.731 -7.300 1.00 0.00 O ATOM 103 CB ARG A 10 -7.244 6.585 -6.889 1.00 0.00 C ATOM 104 CG ARG A 10 -6.597 6.115 -5.597 1.00 0.00 C ATOM 105 CD ARG A 10 -7.216 6.792 -4.385 1.00 0.00 C ATOM 106 NE ARG A 10 -6.673 8.131 -4.169 1.00 0.00 N ATOM 107 CZ ARG A 10 -5.475 8.362 -3.643 1.00 0.00 C ATOM 108 NH1 ARG A 10 -4.700 7.349 -3.281 1.00 0.00 N ATOM 109 NH2 ARG A 10 -5.051 9.608 -3.478 1.00 0.00 N ATOM 0 H ARG A 10 -7.495 3.835 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.341 6.130 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.856 7.572 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.316 6.696 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.706 5.034 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.528 6.326 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.296 6.856 -4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.039 6.182 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.245 8.932 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.023 6.390 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.781 7.529 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.645 10.390 -3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.131 9.784 -3.074 1.00 0.00 H new ATOM 123 N CYS A 11 -4.936 5.722 -9.320 1.00 0.00 N ATOM 124 CA CYS A 11 -3.519 5.480 -9.567 1.00 0.00 C ATOM 125 C CYS A 11 -2.664 6.591 -8.966 1.00 0.00 C ATOM 126 O CYS A 11 -2.861 7.769 -9.262 1.00 0.00 O ATOM 127 CB CYS A 11 -3.252 5.371 -11.069 1.00 0.00 C ATOM 128 SG CYS A 11 -3.698 6.851 -12.007 1.00 0.00 S ATOM 0 H CYS A 11 -5.417 6.214 -10.073 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.249 4.539 -9.088 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.194 5.160 -11.225 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.808 4.521 -11.465 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.543 7.902 -11.258 1.00 0.00 H new ATOM 134 N VAL A 12 -1.715 6.208 -8.118 1.00 0.00 N ATOM 135 CA VAL A 12 -0.830 7.172 -7.474 1.00 0.00 C ATOM 136 C VAL A 12 0.622 6.712 -7.537 1.00 0.00 C ATOM 137 O VAL A 12 0.954 5.608 -7.105 1.00 0.00 O ATOM 138 CB VAL A 12 -1.222 7.397 -6.002 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.294 6.072 -5.259 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.239 8.342 -5.328 1.00 0.00 C ATOM 0 H VAL A 12 -1.539 5.237 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.935 8.111 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.210 7.856 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.572 6.252 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.040 5.431 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.321 5.582 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.531 8.490 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.762 7.913 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.243 9.301 -5.846 1.00 0.00 H new ATOM 150 N ILE A 13 1.484 7.566 -8.078 1.00 0.00 N ATOM 151 CA ILE A 13 2.902 7.248 -8.196 1.00 0.00 C ATOM 152 C ILE A 13 3.715 7.954 -7.116 1.00 0.00 C ATOM 153 O ILE A 13 3.666 9.178 -6.988 1.00 0.00 O ATOM 154 CB ILE A 13 3.454 7.643 -9.579 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.752 6.843 -10.679 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.958 7.419 -9.632 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.929 7.434 -12.060 1.00 0.00 C ATOM 0 H ILE A 13 1.226 8.483 -8.442 1.00 0.00 H new ATOM 0 HA ILE A 13 2.995 6.169 -8.071 1.00 0.00 H new ATOM 0 HB ILE A 13 3.258 8.702 -9.744 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.136 5.823 -10.677 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.688 6.784 -10.451 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.334 7.702 -10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.444 8.027 -8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.176 6.367 -9.450 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.406 6.816 -12.790 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.519 8.444 -12.079 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.990 7.468 -12.308 1.00 0.00 H new ATOM 169 N ILE A 14 4.464 7.175 -6.343 1.00 0.00 N ATOM 170 CA ILE A 14 5.291 7.726 -5.277 1.00 0.00 C ATOM 171 C ILE A 14 6.771 7.654 -5.635 1.00 0.00 C ATOM 172 O ILE A 14 7.265 6.611 -6.063 1.00 0.00 O ATOM 173 CB ILE A 14 5.060 6.986 -3.946 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.579 7.030 -3.563 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.916 7.595 -2.846 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.134 5.847 -2.732 1.00 0.00 C ATOM 0 H ILE A 14 4.515 6.160 -6.435 1.00 0.00 H new ATOM 0 HA ILE A 14 4.999 8.770 -5.159 1.00 0.00 H new ATOM 0 HB ILE A 14 5.352 5.943 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.383 7.948 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.978 7.072 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.742 7.061 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.969 7.516 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.652 8.645 -2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.074 5.945 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.298 4.927 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.709 5.816 -1.806 1.00 0.00 H new ATOM 188 N GLN A 15 7.473 8.768 -5.456 1.00 0.00 N ATOM 189 CA GLN A 15 8.898 8.830 -5.760 1.00 0.00 C ATOM 190 C GLN A 15 9.718 9.020 -4.488 1.00 0.00 C ATOM 191 O GLN A 15 9.312 9.741 -3.577 1.00 0.00 O ATOM 192 CB GLN A 15 9.183 9.970 -6.740 1.00 0.00 C ATOM 193 CG GLN A 15 9.141 11.348 -6.099 1.00 0.00 C ATOM 194 CD GLN A 15 7.727 11.862 -5.912 1.00 0.00 C ATOM 195 OE1 GLN A 15 7.301 12.146 -4.792 1.00 0.00 O ATOM 196 NE2 GLN A 15 6.991 11.984 -7.010 1.00 0.00 N ATOM 0 H GLN A 15 7.079 9.640 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 15 9.187 7.885 -6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.165 9.816 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.454 9.933 -7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.640 11.310 -5.131 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.700 12.050 -6.718 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.385 11.737 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.032 12.325 -6.946 1.00 0.00 H new ATOM 205 N LYS A 16 10.874 8.368 -4.433 1.00 0.00 N ATOM 206 CA LYS A 16 11.753 8.464 -3.273 1.00 0.00 C ATOM 207 C LYS A 16 12.130 9.916 -2.996 1.00 0.00 C ATOM 208 O LYS A 16 12.771 10.569 -3.819 1.00 0.00 O ATOM 209 CB LYS A 16 13.018 7.632 -3.496 1.00 0.00 C ATOM 210 CG LYS A 16 13.730 7.943 -4.801 1.00 0.00 C ATOM 211 CD LYS A 16 14.923 7.028 -5.017 1.00 0.00 C ATOM 212 CE LYS A 16 15.908 7.623 -6.012 1.00 0.00 C ATOM 213 NZ LYS A 16 15.587 7.229 -7.412 1.00 0.00 N ATOM 0 H LYS A 16 11.225 7.767 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 16 11.216 8.074 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.705 7.803 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.755 6.574 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.033 7.835 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.063 8.981 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.426 6.853 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.579 6.059 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.897 8.710 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.917 7.295 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.459 6.943 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.918 6.433 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.160 8.036 -7.910 1.00 0.00 H new ATOM 227 N ASP A 17 11.728 10.414 -1.832 1.00 0.00 N ATOM 228 CA ASP A 17 12.026 11.789 -1.445 1.00 0.00 C ATOM 229 C ASP A 17 13.323 11.859 -0.645 1.00 0.00 C ATOM 230 O ASP A 17 14.149 12.746 -0.862 1.00 0.00 O ATOM 231 CB ASP A 17 10.874 12.371 -0.624 1.00 0.00 C ATOM 232 CG ASP A 17 10.827 13.885 -0.685 1.00 0.00 C ATOM 233 OD1 ASP A 17 11.778 14.529 -0.193 1.00 0.00 O ATOM 234 OD2 ASP A 17 9.840 14.426 -1.225 1.00 0.00 O ATOM 0 H ASP A 17 11.195 9.887 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 17 12.148 12.378 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.930 11.966 -0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.976 12.055 0.414 1.00 0.00 H new ATOM 239 N GLN A 18 13.495 10.919 0.279 1.00 0.00 N ATOM 240 CA GLN A 18 14.691 10.877 1.111 1.00 0.00 C ATOM 241 C GLN A 18 15.461 9.579 0.891 1.00 0.00 C ATOM 242 O GLN A 18 15.915 8.945 1.845 1.00 0.00 O ATOM 243 CB GLN A 18 14.316 11.017 2.588 1.00 0.00 C ATOM 244 CG GLN A 18 14.149 12.459 3.039 1.00 0.00 C ATOM 245 CD GLN A 18 13.924 12.581 4.533 1.00 0.00 C ATOM 246 OE1 GLN A 18 12.787 12.668 4.996 1.00 0.00 O ATOM 247 NE2 GLN A 18 15.010 12.587 5.297 1.00 0.00 N ATOM 0 H GLN A 18 12.822 10.177 0.470 1.00 0.00 H new ATOM 0 HA GLN A 18 15.331 11.712 0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.387 10.478 2.771 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.085 10.542 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.037 13.028 2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.306 12.906 2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.934 12.513 4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.920 12.666 6.310 1.00 0.00 H new ATOM 256 N HIS A 19 15.606 9.189 -0.371 1.00 0.00 N ATOM 257 CA HIS A 19 16.322 7.966 -0.716 1.00 0.00 C ATOM 258 C HIS A 19 15.603 6.740 -0.160 1.00 0.00 C ATOM 259 O HIS A 19 16.227 5.853 0.420 1.00 0.00 O ATOM 260 CB HIS A 19 17.753 8.019 -0.181 1.00 0.00 C ATOM 261 CG HIS A 19 18.397 9.364 -0.326 1.00 0.00 C ATOM 262 ND1 HIS A 19 18.879 9.842 -1.526 1.00 0.00 N ATOM 263 CD2 HIS A 19 18.635 10.334 0.588 1.00 0.00 C ATOM 264 CE1 HIS A 19 19.387 11.048 -1.344 1.00 0.00 C ATOM 265 NE2 HIS A 19 19.252 11.370 -0.070 1.00 0.00 N ATOM 0 H HIS A 19 15.237 9.702 -1.172 1.00 0.00 H new ATOM 0 HA HIS A 19 16.352 7.886 -1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.749 7.739 0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 19 18.356 7.278 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 19 18.386 10.300 1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 19 19.836 11.666 -2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 19 19.556 12.245 0.356 1.00 0.00 H new ATOM 274 N GLY A 20 14.287 6.699 -0.341 1.00 0.00 N ATOM 275 CA GLY A 20 13.505 5.578 0.149 1.00 0.00 C ATOM 276 C GLY A 20 12.099 5.982 0.547 1.00 0.00 C ATOM 277 O GLY A 20 11.900 7.012 1.191 1.00 0.00 O ATOM 0 H GLY A 20 13.748 7.422 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.454 4.810 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.009 5.135 1.008 1.00 0.00 H new ATOM 281 N PHE A 21 11.121 5.169 0.162 1.00 0.00 N ATOM 282 CA PHE A 21 9.725 5.449 0.480 1.00 0.00 C ATOM 283 C PHE A 21 9.510 5.491 1.990 1.00 0.00 C ATOM 284 O PHE A 21 10.391 5.121 2.765 1.00 0.00 O ATOM 285 CB PHE A 21 8.816 4.390 -0.147 1.00 0.00 C ATOM 286 CG PHE A 21 9.236 3.982 -1.530 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.899 4.756 -2.628 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.969 2.823 -1.731 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.284 4.382 -3.901 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.357 2.444 -3.002 1.00 0.00 C ATOM 291 CZ PHE A 21 10.015 3.225 -4.089 1.00 0.00 C ATOM 0 H PHE A 21 11.269 4.312 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 21 9.472 6.426 0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.802 3.509 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.796 4.774 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.329 5.662 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.240 2.209 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.014 4.994 -4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.927 1.538 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.318 2.932 -5.083 1.00 0.00 H new ATOM 301 N GLY A 22 8.330 5.946 2.401 1.00 0.00 N ATOM 302 CA GLY A 22 8.019 6.029 3.816 1.00 0.00 C ATOM 303 C GLY A 22 6.646 5.476 4.142 1.00 0.00 C ATOM 304 O GLY A 22 5.898 6.070 4.920 1.00 0.00 O ATOM 0 H GLY A 22 7.584 6.258 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.772 5.481 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.074 7.069 4.136 1.00 0.00 H new ATOM 308 N PHE A 23 6.311 4.338 3.544 1.00 0.00 N ATOM 309 CA PHE A 23 5.017 3.706 3.773 1.00 0.00 C ATOM 310 C PHE A 23 5.169 2.196 3.933 1.00 0.00 C ATOM 311 O PHE A 23 5.847 1.541 3.142 1.00 0.00 O ATOM 312 CB PHE A 23 4.064 4.014 2.616 1.00 0.00 C ATOM 313 CG PHE A 23 4.369 3.239 1.366 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.373 3.652 0.506 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.651 2.096 1.051 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.655 2.941 -0.646 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.929 1.380 -0.098 1.00 0.00 C ATOM 318 CZ PHE A 23 4.933 1.803 -0.947 1.00 0.00 C ATOM 0 H PHE A 23 6.918 3.834 2.897 1.00 0.00 H new ATOM 0 HA PHE A 23 4.601 4.111 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.043 3.796 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.108 5.080 2.393 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.942 4.540 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.865 1.761 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.439 3.275 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.362 0.491 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.153 1.245 -1.845 1.00 0.00 H new ATOM 328 N THR A 24 4.533 1.650 4.965 1.00 0.00 N ATOM 329 CA THR A 24 4.598 0.218 5.231 1.00 0.00 C ATOM 330 C THR A 24 3.281 -0.467 4.883 1.00 0.00 C ATOM 331 O THR A 24 2.206 0.104 5.065 1.00 0.00 O ATOM 332 CB THR A 24 4.934 -0.063 6.708 1.00 0.00 C ATOM 333 OG1 THR A 24 4.165 0.795 7.558 1.00 0.00 O ATOM 334 CG2 THR A 24 6.417 0.147 6.975 1.00 0.00 C ATOM 0 H THR A 24 3.967 2.178 5.630 1.00 0.00 H new ATOM 0 HA THR A 24 5.391 -0.185 4.601 1.00 0.00 H new ATOM 0 HB THR A 24 4.686 -1.103 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.008 0.349 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.630 -0.057 8.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.999 -0.529 6.348 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.686 1.178 6.744 1.00 0.00 H new ATOM 342 N VAL A 25 3.373 -1.694 4.380 1.00 0.00 N ATOM 343 CA VAL A 25 2.188 -2.458 4.007 1.00 0.00 C ATOM 344 C VAL A 25 2.268 -3.887 4.532 1.00 0.00 C ATOM 345 O VAL A 25 3.309 -4.537 4.435 1.00 0.00 O ATOM 346 CB VAL A 25 2.001 -2.493 2.479 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.626 -1.116 1.954 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.263 -3.006 1.800 1.00 0.00 C ATOM 0 H VAL A 25 4.256 -2.180 4.221 1.00 0.00 H new ATOM 0 HA VAL A 25 1.332 -1.956 4.458 1.00 0.00 H new ATOM 0 HB VAL A 25 1.186 -3.178 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.498 -1.161 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.694 -0.792 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.417 -0.406 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.114 -3.024 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.098 -2.348 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.482 -4.014 2.153 1.00 0.00 H new ATOM 358 N SER A 26 1.162 -4.370 5.088 1.00 0.00 N ATOM 359 CA SER A 26 1.107 -5.722 5.631 1.00 0.00 C ATOM 360 C SER A 26 0.852 -6.742 4.526 1.00 0.00 C ATOM 361 O SER A 26 -0.239 -6.801 3.959 1.00 0.00 O ATOM 362 CB SER A 26 0.014 -5.823 6.696 1.00 0.00 C ATOM 363 OG SER A 26 -1.193 -5.231 6.246 1.00 0.00 O ATOM 0 H SER A 26 0.292 -3.845 5.174 1.00 0.00 H new ATOM 0 HA SER A 26 2.071 -5.942 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.161 -6.870 6.944 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.346 -5.330 7.610 1.00 0.00 H new ATOM 0 HG SER A 26 -1.391 -5.541 5.338 1.00 0.00 H new ATOM 369 N GLY A 27 1.868 -7.546 4.224 1.00 0.00 N ATOM 370 CA GLY A 27 1.734 -8.553 3.188 1.00 0.00 C ATOM 371 C GLY A 27 0.744 -9.639 3.559 1.00 0.00 C ATOM 372 O GLY A 27 0.868 -10.269 4.609 1.00 0.00 O ATOM 0 H GLY A 27 2.781 -7.517 4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.415 -8.076 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.708 -9.004 2.996 1.00 0.00 H new ATOM 376 N ASP A 28 -0.242 -9.858 2.697 1.00 0.00 N ATOM 377 CA ASP A 28 -1.259 -10.875 2.939 1.00 0.00 C ATOM 378 C ASP A 28 -2.197 -11.002 1.744 1.00 0.00 C ATOM 379 O ASP A 28 -2.035 -10.309 0.739 1.00 0.00 O ATOM 380 CB ASP A 28 -2.059 -10.537 4.198 1.00 0.00 C ATOM 381 CG ASP A 28 -2.765 -11.747 4.778 1.00 0.00 C ATOM 382 OD1 ASP A 28 -2.167 -12.843 4.770 1.00 0.00 O ATOM 383 OD2 ASP A 28 -3.917 -11.598 5.237 1.00 0.00 O ATOM 0 H ASP A 28 -0.359 -9.345 1.823 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.754 -11.830 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.389 -10.116 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.795 -9.769 3.962 1.00 0.00 H new ATOM 388 N ARG A 29 -3.178 -11.891 1.859 1.00 0.00 N ATOM 389 CA ARG A 29 -4.142 -12.110 0.787 1.00 0.00 C ATOM 390 C ARG A 29 -4.434 -10.809 0.045 1.00 0.00 C ATOM 391 O ARG A 29 -4.490 -10.784 -1.185 1.00 0.00 O ATOM 392 CB ARG A 29 -5.440 -12.692 1.350 1.00 0.00 C ATOM 393 CG ARG A 29 -6.293 -13.397 0.308 1.00 0.00 C ATOM 394 CD ARG A 29 -5.768 -14.792 0.010 1.00 0.00 C ATOM 395 NE ARG A 29 -6.833 -15.701 -0.406 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.628 -16.340 0.445 1.00 0.00 C ATOM 397 NH1 ARG A 29 -7.479 -16.171 1.751 1.00 0.00 N ATOM 398 NH2 ARG A 29 -8.575 -17.150 -0.011 1.00 0.00 N ATOM 0 H ARG A 29 -3.326 -12.472 2.684 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.710 -12.821 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.197 -13.396 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.023 -11.889 1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.322 -13.462 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.308 -12.809 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.013 -14.735 -0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.277 -15.191 0.897 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.974 -15.853 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.752 -15.549 2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.091 -16.663 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.693 -17.282 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.185 -17.640 0.643 1.00 0.00 H new ATOM 412 N ILE A 30 -4.620 -9.732 0.801 1.00 0.00 N ATOM 413 CA ILE A 30 -4.907 -8.428 0.215 1.00 0.00 C ATOM 414 C ILE A 30 -3.992 -7.353 0.792 1.00 0.00 C ATOM 415 O ILE A 30 -4.390 -6.593 1.675 1.00 0.00 O ATOM 416 CB ILE A 30 -6.373 -8.017 0.445 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.855 -8.510 1.811 1.00 0.00 C ATOM 418 CG2 ILE A 30 -7.257 -8.566 -0.664 1.00 0.00 C ATOM 419 CD1 ILE A 30 -6.371 -7.660 2.965 1.00 0.00 C ATOM 0 H ILE A 30 -4.577 -9.737 1.820 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.728 -8.517 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.437 -6.929 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.945 -8.530 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.516 -9.535 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.290 -8.267 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.924 -8.171 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.191 -9.654 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.751 -8.068 3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.281 -7.660 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.732 -6.639 2.841 1.00 0.00 H new ATOM 431 N VAL A 31 -2.764 -7.294 0.287 1.00 0.00 N ATOM 432 CA VAL A 31 -1.793 -6.310 0.750 1.00 0.00 C ATOM 433 C VAL A 31 -2.478 -5.007 1.145 1.00 0.00 C ATOM 434 O VAL A 31 -3.257 -4.444 0.375 1.00 0.00 O ATOM 435 CB VAL A 31 -0.735 -6.015 -0.330 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.361 -5.119 0.227 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.152 -7.311 -0.872 1.00 0.00 C ATOM 0 H VAL A 31 -2.418 -7.916 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.300 -6.737 1.623 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.218 -5.489 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.099 -4.921 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.074 -4.177 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.844 -5.615 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.594 -7.084 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.317 -7.867 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.948 -7.912 -1.311 1.00 0.00 H new ATOM 447 N LEU A 32 -2.181 -4.531 2.349 1.00 0.00 N ATOM 448 CA LEU A 32 -2.767 -3.292 2.848 1.00 0.00 C ATOM 449 C LEU A 32 -1.687 -2.348 3.365 1.00 0.00 C ATOM 450 O LEU A 32 -0.568 -2.769 3.659 1.00 0.00 O ATOM 451 CB LEU A 32 -3.773 -3.592 3.961 1.00 0.00 C ATOM 452 CG LEU A 32 -5.222 -3.797 3.518 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.037 -4.433 4.634 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.841 -2.473 3.092 1.00 0.00 C ATOM 0 H LEU A 32 -1.538 -4.984 2.998 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.284 -2.805 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.445 -4.488 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.746 -2.772 4.679 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.228 -4.471 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.065 -4.571 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.607 -5.400 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.024 -3.784 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.872 -2.637 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.822 -1.776 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.272 -2.056 2.261 1.00 0.00 H new ATOM 466 N VAL A 33 -2.029 -1.068 3.476 1.00 0.00 N ATOM 467 CA VAL A 33 -1.090 -0.064 3.961 1.00 0.00 C ATOM 468 C VAL A 33 -1.163 0.070 5.478 1.00 0.00 C ATOM 469 O VAL A 33 -2.173 0.515 6.023 1.00 0.00 O ATOM 470 CB VAL A 33 -1.359 1.311 3.322 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.501 2.382 3.979 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.106 1.260 1.822 1.00 0.00 C ATOM 0 H VAL A 33 -2.950 -0.702 3.236 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.093 -0.400 3.676 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.406 1.568 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.705 3.347 3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.735 2.434 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.553 2.133 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.301 2.240 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.069 0.981 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.767 0.523 1.366 1.00 0.00 H new ATOM 482 N GLN A 34 -0.087 -0.319 6.153 1.00 0.00 N ATOM 483 CA GLN A 34 -0.030 -0.242 7.608 1.00 0.00 C ATOM 484 C GLN A 34 -0.127 1.205 8.081 1.00 0.00 C ATOM 485 O GLN A 34 -1.027 1.560 8.842 1.00 0.00 O ATOM 486 CB GLN A 34 1.265 -0.874 8.123 1.00 0.00 C ATOM 487 CG GLN A 34 1.182 -1.340 9.567 1.00 0.00 C ATOM 488 CD GLN A 34 2.539 -1.691 10.146 1.00 0.00 C ATOM 489 OE1 GLN A 34 3.565 -1.163 9.718 1.00 0.00 O ATOM 490 NE2 GLN A 34 2.551 -2.588 11.126 1.00 0.00 N ATOM 0 H GLN A 34 0.757 -0.690 5.716 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.880 -0.794 8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.522 -1.723 7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.075 -0.150 8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.725 -0.557 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.529 -2.211 9.627 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.676 -3.001 11.450 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.435 -2.864 11.554 1.00 0.00 H new ATOM 499 N SER A 35 0.807 2.035 7.627 1.00 0.00 N ATOM 500 CA SER A 35 0.829 3.442 8.007 1.00 0.00 C ATOM 501 C SER A 35 1.551 4.278 6.954 1.00 0.00 C ATOM 502 O SER A 35 2.183 3.741 6.045 1.00 0.00 O ATOM 503 CB SER A 35 1.509 3.615 9.366 1.00 0.00 C ATOM 504 OG SER A 35 1.344 4.935 9.855 1.00 0.00 O ATOM 0 H SER A 35 1.558 1.757 6.996 1.00 0.00 H new ATOM 0 HA SER A 35 -0.202 3.790 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.090 2.905 10.079 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.571 3.387 9.276 1.00 0.00 H new ATOM 0 HG SER A 35 1.786 5.019 10.726 1.00 0.00 H new ATOM 510 N VAL A 36 1.452 5.597 7.085 1.00 0.00 N ATOM 511 CA VAL A 36 2.096 6.509 6.147 1.00 0.00 C ATOM 512 C VAL A 36 2.862 7.603 6.883 1.00 0.00 C ATOM 513 O VAL A 36 2.264 8.493 7.488 1.00 0.00 O ATOM 514 CB VAL A 36 1.068 7.162 5.204 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.754 8.139 4.262 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.311 6.098 4.424 1.00 0.00 C ATOM 0 H VAL A 36 0.932 6.058 7.832 1.00 0.00 H new ATOM 0 HA VAL A 36 2.794 5.916 5.556 1.00 0.00 H new ATOM 0 HB VAL A 36 0.350 7.719 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.012 8.591 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.247 8.919 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.495 7.609 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.411 6.577 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.014 5.513 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.213 5.441 5.119 1.00 0.00 H new ATOM 526 N ARG A 37 4.187 7.531 6.825 1.00 0.00 N ATOM 527 CA ARG A 37 5.036 8.515 7.486 1.00 0.00 C ATOM 528 C ARG A 37 4.416 9.907 7.406 1.00 0.00 C ATOM 529 O ARG A 37 3.860 10.309 6.384 1.00 0.00 O ATOM 530 CB ARG A 37 6.428 8.527 6.852 1.00 0.00 C ATOM 531 CG ARG A 37 7.440 9.361 7.621 1.00 0.00 C ATOM 532 CD ARG A 37 8.763 9.457 6.878 1.00 0.00 C ATOM 533 NE ARG A 37 9.543 8.227 6.990 1.00 0.00 N ATOM 534 CZ ARG A 37 10.305 7.932 8.038 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.387 8.774 9.059 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.985 6.794 8.066 1.00 0.00 N ATOM 0 H ARG A 37 4.697 6.801 6.327 1.00 0.00 H new ATOM 0 HA ARG A 37 5.126 8.235 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.794 7.503 6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.351 8.911 5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.040 10.362 7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.605 8.920 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.574 9.672 5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.342 10.291 7.275 1.00 0.00 H new ATOM 0 HE ARG A 37 9.500 7.558 6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.865 9.650 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.972 8.546 9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.924 6.144 7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.570 6.569 8.871 1.00 0.00 H new ATOM 550 N PRO A 38 4.513 10.662 8.511 1.00 0.00 N ATOM 551 CA PRO A 38 3.969 12.021 8.591 1.00 0.00 C ATOM 552 C PRO A 38 4.746 13.009 7.729 1.00 0.00 C ATOM 553 O PRO A 38 5.709 13.624 8.187 1.00 0.00 O ATOM 554 CB PRO A 38 4.115 12.374 10.074 1.00 0.00 C ATOM 555 CG PRO A 38 5.239 11.525 10.557 1.00 0.00 C ATOM 556 CD PRO A 38 5.163 10.248 9.766 1.00 0.00 C ATOM 0 HA PRO A 38 2.943 12.072 8.225 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.333 13.433 10.209 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.197 12.165 10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.197 12.022 10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.148 11.328 11.625 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.152 9.827 9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.583 9.487 10.287 1.00 0.00 H new ATOM 564 N GLY A 39 4.322 13.158 6.478 1.00 0.00 N ATOM 565 CA GLY A 39 4.990 14.073 5.572 1.00 0.00 C ATOM 566 C GLY A 39 6.132 13.417 4.821 1.00 0.00 C ATOM 567 O GLY A 39 7.165 14.039 4.581 1.00 0.00 O ATOM 0 H GLY A 39 3.527 12.661 6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.266 14.464 4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.372 14.924 6.136 1.00 0.00 H new ATOM 571 N GLY A 40 5.946 12.153 4.451 1.00 0.00 N ATOM 572 CA GLY A 40 6.978 11.432 3.730 1.00 0.00 C ATOM 573 C GLY A 40 6.790 11.500 2.227 1.00 0.00 C ATOM 574 O GLY A 40 6.710 12.586 1.654 1.00 0.00 O ATOM 0 H GLY A 40 5.099 11.616 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.953 11.843 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.977 10.389 4.046 1.00 0.00 H new ATOM 578 N ALA A 41 6.722 10.337 1.588 1.00 0.00 N ATOM 579 CA ALA A 41 6.543 10.270 0.143 1.00 0.00 C ATOM 580 C ALA A 41 5.133 9.812 -0.214 1.00 0.00 C ATOM 581 O ALA A 41 4.490 10.381 -1.096 1.00 0.00 O ATOM 582 CB ALA A 41 7.575 9.337 -0.474 1.00 0.00 C ATOM 0 H ALA A 41 6.788 9.429 2.048 1.00 0.00 H new ATOM 0 HA ALA A 41 6.686 11.271 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.430 9.296 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.577 9.708 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.459 8.338 -0.055 1.00 0.00 H new ATOM 588 N ALA A 42 4.658 8.780 0.475 1.00 0.00 N ATOM 589 CA ALA A 42 3.324 8.246 0.232 1.00 0.00 C ATOM 590 C ALA A 42 2.254 9.299 0.502 1.00 0.00 C ATOM 591 O ALA A 42 1.374 9.530 -0.326 1.00 0.00 O ATOM 592 CB ALA A 42 3.083 7.013 1.090 1.00 0.00 C ATOM 0 H ALA A 42 5.178 8.296 1.207 1.00 0.00 H new ATOM 0 HA ALA A 42 3.260 7.961 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.083 6.626 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.821 6.249 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.172 7.279 2.143 1.00 0.00 H new ATOM 598 N MET A 43 2.336 9.933 1.668 1.00 0.00 N ATOM 599 CA MET A 43 1.374 10.962 2.047 1.00 0.00 C ATOM 600 C MET A 43 1.286 12.044 0.976 1.00 0.00 C ATOM 601 O MET A 43 0.194 12.433 0.560 1.00 0.00 O ATOM 602 CB MET A 43 1.764 11.585 3.388 1.00 0.00 C ATOM 603 CG MET A 43 0.730 12.559 3.929 1.00 0.00 C ATOM 604 SD MET A 43 1.189 13.238 5.536 1.00 0.00 S ATOM 605 CE MET A 43 0.233 12.192 6.631 1.00 0.00 C ATOM 0 H MET A 43 3.058 9.752 2.366 1.00 0.00 H new ATOM 0 HA MET A 43 0.395 10.492 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.919 10.790 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.716 12.104 3.275 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.598 13.375 3.218 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.231 12.052 4.014 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.411 12.489 7.665 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.827 12.297 6.400 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.533 11.153 6.495 1.00 0.00 H new ATOM 615 N LYS A 44 2.441 12.528 0.533 1.00 0.00 N ATOM 616 CA LYS A 44 2.495 13.565 -0.490 1.00 0.00 C ATOM 617 C LYS A 44 1.732 13.138 -1.739 1.00 0.00 C ATOM 618 O LYS A 44 0.944 13.907 -2.290 1.00 0.00 O ATOM 619 CB LYS A 44 3.949 13.880 -0.850 1.00 0.00 C ATOM 620 CG LYS A 44 4.660 14.736 0.183 1.00 0.00 C ATOM 621 CD LYS A 44 5.904 15.390 -0.396 1.00 0.00 C ATOM 622 CE LYS A 44 6.828 15.899 0.700 1.00 0.00 C ATOM 623 NZ LYS A 44 6.465 17.276 1.135 1.00 0.00 N ATOM 0 H LYS A 44 3.354 12.218 0.867 1.00 0.00 H new ATOM 0 HA LYS A 44 2.024 14.462 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.495 12.945 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.974 14.391 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.980 15.505 0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.936 14.121 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.438 14.672 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.614 16.218 -1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.784 15.224 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.857 15.891 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.118 17.587 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.532 17.925 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.492 17.279 1.502 1.00 0.00 H new ATOM 637 N ALA A 45 1.969 11.907 -2.180 1.00 0.00 N ATOM 638 CA ALA A 45 1.301 11.377 -3.362 1.00 0.00 C ATOM 639 C ALA A 45 -0.208 11.303 -3.152 1.00 0.00 C ATOM 640 O ALA A 45 -0.982 11.402 -4.104 1.00 0.00 O ATOM 641 CB ALA A 45 1.855 10.003 -3.710 1.00 0.00 C ATOM 0 H ALA A 45 2.619 11.258 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 45 1.494 12.055 -4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.347 9.619 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.923 10.082 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.692 9.323 -2.874 1.00 0.00 H new ATOM 647 N GLY A 46 -0.619 11.127 -1.900 1.00 0.00 N ATOM 648 CA GLY A 46 -2.034 11.042 -1.589 1.00 0.00 C ATOM 649 C GLY A 46 -2.445 9.658 -1.129 1.00 0.00 C ATOM 650 O GLY A 46 -3.489 9.145 -1.531 1.00 0.00 O ATOM 0 H GLY A 46 0.002 11.042 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.276 11.767 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.614 11.315 -2.471 1.00 0.00 H new ATOM 654 N VAL A 47 -1.619 9.048 -0.283 1.00 0.00 N ATOM 655 CA VAL A 47 -1.901 7.714 0.233 1.00 0.00 C ATOM 656 C VAL A 47 -2.346 7.771 1.690 1.00 0.00 C ATOM 657 O VAL A 47 -1.852 8.585 2.470 1.00 0.00 O ATOM 658 CB VAL A 47 -0.670 6.796 0.118 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.963 5.431 0.722 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.237 6.665 -1.334 1.00 0.00 C ATOM 0 H VAL A 47 -0.749 9.457 0.059 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.708 7.304 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 47 0.150 7.245 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.082 4.796 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.220 5.547 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.798 4.971 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.634 6.013 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.052 6.239 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.017 7.649 -1.728 1.00 0.00 H new ATOM 670 N LYS A 48 -3.282 6.900 2.051 1.00 0.00 N ATOM 671 CA LYS A 48 -3.793 6.848 3.416 1.00 0.00 C ATOM 672 C LYS A 48 -3.884 5.407 3.908 1.00 0.00 C ATOM 673 O LYS A 48 -3.906 4.470 3.111 1.00 0.00 O ATOM 674 CB LYS A 48 -5.170 7.512 3.492 1.00 0.00 C ATOM 675 CG LYS A 48 -5.116 9.029 3.469 1.00 0.00 C ATOM 676 CD LYS A 48 -4.731 9.594 4.826 1.00 0.00 C ATOM 677 CE LYS A 48 -5.905 9.574 5.792 1.00 0.00 C ATOM 678 NZ LYS A 48 -5.649 10.414 6.994 1.00 0.00 N ATOM 0 H LYS A 48 -3.702 6.220 1.417 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.099 7.390 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.778 7.166 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.670 7.188 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.396 9.357 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.087 9.424 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.907 9.015 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.374 10.617 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.800 9.932 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.103 8.548 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.473 10.374 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.810 10.058 7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.485 11.398 6.701 1.00 0.00 H new ATOM 692 N GLU A 49 -3.938 5.239 5.226 1.00 0.00 N ATOM 693 CA GLU A 49 -4.027 3.912 5.823 1.00 0.00 C ATOM 694 C GLU A 49 -5.419 3.319 5.626 1.00 0.00 C ATOM 695 O GLU A 49 -6.423 4.026 5.699 1.00 0.00 O ATOM 696 CB GLU A 49 -3.695 3.977 7.316 1.00 0.00 C ATOM 697 CG GLU A 49 -2.543 4.912 7.643 1.00 0.00 C ATOM 698 CD GLU A 49 -2.998 6.340 7.872 1.00 0.00 C ATOM 699 OE1 GLU A 49 -4.171 6.536 8.252 1.00 0.00 O ATOM 700 OE2 GLU A 49 -2.179 7.262 7.671 1.00 0.00 O ATOM 0 H GLU A 49 -3.922 6.005 5.900 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.303 3.268 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.581 4.300 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.450 2.975 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.029 4.551 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.820 4.891 6.827 1.00 0.00 H new ATOM 707 N GLY A 50 -5.470 2.014 5.374 1.00 0.00 N ATOM 708 CA GLY A 50 -6.742 1.347 5.169 1.00 0.00 C ATOM 709 C GLY A 50 -7.149 1.311 3.709 1.00 0.00 C ATOM 710 O GLY A 50 -8.322 1.492 3.381 1.00 0.00 O ATOM 0 H GLY A 50 -4.653 1.407 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.680 0.328 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.513 1.857 5.746 1.00 0.00 H new ATOM 714 N ASP A 51 -6.179 1.080 2.832 1.00 0.00 N ATOM 715 CA ASP A 51 -6.443 1.022 1.399 1.00 0.00 C ATOM 716 C ASP A 51 -5.772 -0.196 0.772 1.00 0.00 C ATOM 717 O ASP A 51 -4.600 -0.472 1.027 1.00 0.00 O ATOM 718 CB ASP A 51 -5.949 2.299 0.716 1.00 0.00 C ATOM 719 CG ASP A 51 -6.806 3.504 1.053 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.651 4.048 2.166 1.00 0.00 O ATOM 721 OD2 ASP A 51 -7.631 3.901 0.204 1.00 0.00 O ATOM 0 H ASP A 51 -5.203 0.930 3.088 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.520 0.935 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.919 2.493 1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.943 2.151 -0.364 1.00 0.00 H new ATOM 726 N ARG A 52 -6.525 -0.923 -0.048 1.00 0.00 N ATOM 727 CA ARG A 52 -6.004 -2.114 -0.709 1.00 0.00 C ATOM 728 C ARG A 52 -5.462 -1.773 -2.094 1.00 0.00 C ATOM 729 O ARG A 52 -6.001 -0.910 -2.787 1.00 0.00 O ATOM 730 CB ARG A 52 -7.097 -3.178 -0.825 1.00 0.00 C ATOM 731 CG ARG A 52 -7.126 -4.150 0.343 1.00 0.00 C ATOM 732 CD ARG A 52 -8.521 -4.715 0.563 1.00 0.00 C ATOM 733 NE ARG A 52 -8.635 -5.410 1.842 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.542 -6.348 2.091 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.409 -6.702 1.152 1.00 0.00 N ATOM 736 NH2 ARG A 52 -9.583 -6.935 3.280 1.00 0.00 N ATOM 0 H ARG A 52 -7.497 -0.708 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.187 -2.507 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.066 -2.685 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.951 -3.738 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.427 -4.965 0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.791 -3.643 1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.250 -3.906 0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.765 -5.403 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.982 -5.162 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.380 -6.254 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.105 -7.423 1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.917 -6.666 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.280 -7.655 3.470 1.00 0.00 H new ATOM 750 N ILE A 53 -4.393 -2.456 -2.490 1.00 0.00 N ATOM 751 CA ILE A 53 -3.779 -2.226 -3.792 1.00 0.00 C ATOM 752 C ILE A 53 -3.973 -3.427 -4.711 1.00 0.00 C ATOM 753 O ILE A 53 -3.635 -4.556 -4.353 1.00 0.00 O ATOM 754 CB ILE A 53 -2.273 -1.932 -3.660 1.00 0.00 C ATOM 755 CG1 ILE A 53 -2.043 -0.750 -2.717 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.667 -1.653 -5.027 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.708 -0.794 -2.007 1.00 0.00 C ATOM 0 H ILE A 53 -3.934 -3.173 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.274 -1.357 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.781 -2.809 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.112 0.177 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.840 -0.728 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.602 -1.447 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.804 -2.522 -5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.160 -0.790 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.614 0.075 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.643 -1.704 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.096 -0.785 -2.743 1.00 0.00 H new ATOM 769 N ILE A 54 -4.517 -3.176 -5.897 1.00 0.00 N ATOM 770 CA ILE A 54 -4.753 -4.237 -6.869 1.00 0.00 C ATOM 771 C ILE A 54 -3.650 -4.273 -7.921 1.00 0.00 C ATOM 772 O ILE A 54 -3.294 -5.337 -8.427 1.00 0.00 O ATOM 773 CB ILE A 54 -6.113 -4.065 -7.571 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.132 -3.447 -6.612 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.612 -5.403 -8.094 1.00 0.00 C ATOM 776 CD1 ILE A 54 -7.388 -4.285 -5.380 1.00 0.00 C ATOM 0 H ILE A 54 -4.803 -2.248 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.756 -5.177 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.985 -3.391 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.779 -2.463 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.073 -3.297 -7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.574 -5.265 -8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.893 -5.806 -8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.727 -6.099 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.120 -3.785 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.771 -5.261 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.457 -4.413 -4.827 1.00 0.00 H new ATOM 788 N LYS A 55 -3.112 -3.103 -8.246 1.00 0.00 N ATOM 789 CA LYS A 55 -2.047 -2.999 -9.237 1.00 0.00 C ATOM 790 C LYS A 55 -0.845 -2.251 -8.667 1.00 0.00 C ATOM 791 O LYS A 55 -0.986 -1.427 -7.764 1.00 0.00 O ATOM 792 CB LYS A 55 -2.556 -2.286 -10.491 1.00 0.00 C ATOM 793 CG LYS A 55 -1.827 -2.692 -11.760 1.00 0.00 C ATOM 794 CD LYS A 55 -0.627 -1.798 -12.024 1.00 0.00 C ATOM 795 CE LYS A 55 -1.005 -0.595 -12.875 1.00 0.00 C ATOM 796 NZ LYS A 55 -1.155 -0.957 -14.312 1.00 0.00 N ATOM 0 H LYS A 55 -3.396 -2.213 -7.838 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.733 -4.008 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.619 -2.494 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.455 -1.210 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.499 -3.728 -11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.512 -2.642 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.210 -1.458 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.151 -2.371 -12.528 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.939 -0.170 -12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.242 0.176 -12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.456 -0.433 -14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.001 -1.979 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.113 -0.712 -14.633 1.00 0.00 H new ATOM 810 N VAL A 56 0.336 -2.544 -9.202 1.00 0.00 N ATOM 811 CA VAL A 56 1.562 -1.897 -8.748 1.00 0.00 C ATOM 812 C VAL A 56 2.584 -1.805 -9.875 1.00 0.00 C ATOM 813 O VAL A 56 3.001 -2.819 -10.433 1.00 0.00 O ATOM 814 CB VAL A 56 2.189 -2.652 -7.562 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.415 -1.914 -7.046 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.166 -2.844 -6.452 1.00 0.00 C ATOM 0 H VAL A 56 0.470 -3.225 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 56 1.289 -0.892 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 56 2.506 -3.636 -7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.844 -2.463 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.154 -1.834 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.127 -0.916 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.626 -3.379 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.816 -1.871 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.321 -3.419 -6.831 1.00 0.00 H new ATOM 826 N ASN A 57 2.984 -0.582 -10.206 1.00 0.00 N ATOM 827 CA ASN A 57 3.958 -0.356 -11.267 1.00 0.00 C ATOM 828 C ASN A 57 3.671 -1.252 -12.468 1.00 0.00 C ATOM 829 O ASN A 57 4.576 -1.876 -13.022 1.00 0.00 O ATOM 830 CB ASN A 57 5.375 -0.616 -10.751 1.00 0.00 C ATOM 831 CG ASN A 57 5.552 -2.031 -10.234 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.089 -2.367 -9.143 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.225 -2.867 -11.016 1.00 0.00 N ATOM 0 H ASN A 57 2.648 0.269 -9.754 1.00 0.00 H new ATOM 0 HA ASN A 57 3.878 0.684 -11.584 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.090 -0.433 -11.553 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.603 0.091 -9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.376 -3.831 -10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.591 -2.545 -11.912 1.00 0.00 H new ATOM 840 N GLY A 58 2.404 -1.310 -12.867 1.00 0.00 N ATOM 841 CA GLY A 58 2.019 -2.131 -14.000 1.00 0.00 C ATOM 842 C GLY A 58 1.825 -3.586 -13.622 1.00 0.00 C ATOM 843 O GLY A 58 1.040 -4.299 -14.249 1.00 0.00 O ATOM 0 H GLY A 58 1.637 -0.803 -12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.094 -1.744 -14.428 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.783 -2.059 -14.774 1.00 0.00 H new ATOM 847 N THR A 59 2.543 -4.030 -12.595 1.00 0.00 N ATOM 848 CA THR A 59 2.448 -5.410 -12.137 1.00 0.00 C ATOM 849 C THR A 59 1.408 -5.553 -11.032 1.00 0.00 C ATOM 850 O THR A 59 1.436 -4.822 -10.042 1.00 0.00 O ATOM 851 CB THR A 59 3.805 -5.924 -11.618 1.00 0.00 C ATOM 852 OG1 THR A 59 4.757 -5.956 -12.686 1.00 0.00 O ATOM 853 CG2 THR A 59 3.663 -7.314 -11.017 1.00 0.00 C ATOM 0 H THR A 59 3.197 -3.454 -12.065 1.00 0.00 H new ATOM 0 HA THR A 59 2.145 -6.008 -12.997 1.00 0.00 H new ATOM 0 HB THR A 59 4.154 -5.243 -10.841 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.617 -6.282 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.634 -7.656 -10.658 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.959 -7.281 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.294 -8.003 -11.777 1.00 0.00 H new ATOM 861 N MET A 60 0.491 -6.498 -11.207 1.00 0.00 N ATOM 862 CA MET A 60 -0.558 -6.737 -10.223 1.00 0.00 C ATOM 863 C MET A 60 -0.018 -7.524 -9.033 1.00 0.00 C ATOM 864 O MET A 60 0.821 -8.410 -9.192 1.00 0.00 O ATOM 865 CB MET A 60 -1.725 -7.493 -10.862 1.00 0.00 C ATOM 866 CG MET A 60 -2.433 -6.707 -11.954 1.00 0.00 C ATOM 867 SD MET A 60 -4.181 -7.125 -12.088 1.00 0.00 S ATOM 868 CE MET A 60 -4.146 -8.867 -11.673 1.00 0.00 C ATOM 0 H MET A 60 0.453 -7.111 -12.021 1.00 0.00 H new ATOM 0 HA MET A 60 -0.913 -5.770 -9.866 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.355 -8.429 -11.281 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.446 -7.754 -10.087 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.333 -5.641 -11.752 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.944 -6.898 -12.909 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.059 -9.344 -12.029 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.283 -9.336 -12.146 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.074 -8.982 -10.591 1.00 0.00 H new ATOM 878 N VAL A 61 -0.505 -7.194 -7.841 1.00 0.00 N ATOM 879 CA VAL A 61 -0.072 -7.871 -6.624 1.00 0.00 C ATOM 880 C VAL A 61 -1.253 -8.501 -5.895 1.00 0.00 C ATOM 881 O VAL A 61 -1.305 -8.510 -4.664 1.00 0.00 O ATOM 882 CB VAL A 61 0.649 -6.901 -5.669 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.856 -6.277 -6.352 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.310 -5.828 -5.176 1.00 0.00 C ATOM 0 H VAL A 61 -1.200 -6.462 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 61 0.623 -8.654 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 61 1.002 -7.464 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.352 -5.595 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.552 -7.062 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.530 -5.727 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.216 -5.151 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.696 -5.266 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.139 -6.297 -4.645 1.00 0.00 H new ATOM 894 N THR A 62 -2.203 -9.027 -6.662 1.00 0.00 N ATOM 895 CA THR A 62 -3.385 -9.659 -6.090 1.00 0.00 C ATOM 896 C THR A 62 -3.032 -10.986 -5.426 1.00 0.00 C ATOM 897 O THR A 62 -2.214 -11.749 -5.938 1.00 0.00 O ATOM 898 CB THR A 62 -4.464 -9.905 -7.160 1.00 0.00 C ATOM 899 OG1 THR A 62 -3.892 -10.577 -8.288 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.089 -8.593 -7.610 1.00 0.00 C ATOM 0 H THR A 62 -2.176 -9.028 -7.682 1.00 0.00 H new ATOM 0 HA THR A 62 -3.778 -8.973 -5.340 1.00 0.00 H new ATOM 0 HB THR A 62 -5.242 -10.529 -6.722 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.585 -10.731 -8.963 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.848 -8.792 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.549 -8.097 -6.755 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.318 -7.948 -8.031 1.00 0.00 H new ATOM 908 N ASN A 63 -3.656 -11.254 -4.284 1.00 0.00 N ATOM 909 CA ASN A 63 -3.408 -12.490 -3.550 1.00 0.00 C ATOM 910 C ASN A 63 -1.914 -12.792 -3.482 1.00 0.00 C ATOM 911 O ASN A 63 -1.494 -13.939 -3.635 1.00 0.00 O ATOM 912 CB ASN A 63 -4.146 -13.657 -4.210 1.00 0.00 C ATOM 913 CG ASN A 63 -3.975 -13.671 -5.716 1.00 0.00 C ATOM 914 OD1 ASN A 63 -2.979 -14.175 -6.235 1.00 0.00 O ATOM 915 ND2 ASN A 63 -4.949 -13.114 -6.427 1.00 0.00 N ATOM 0 H ASN A 63 -4.337 -10.633 -3.847 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.781 -12.361 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.778 -14.596 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.207 -13.596 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.889 -13.092 -7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.757 -12.708 -5.955 1.00 0.00 H new ATOM 922 N SER A 64 -1.116 -11.754 -3.251 1.00 0.00 N ATOM 923 CA SER A 64 0.332 -11.907 -3.166 1.00 0.00 C ATOM 924 C SER A 64 0.842 -11.494 -1.789 1.00 0.00 C ATOM 925 O SER A 64 0.070 -11.063 -0.932 1.00 0.00 O ATOM 926 CB SER A 64 1.019 -11.071 -4.248 1.00 0.00 C ATOM 927 OG SER A 64 1.219 -9.738 -3.812 1.00 0.00 O ATOM 0 H SER A 64 -1.448 -10.798 -3.119 1.00 0.00 H new ATOM 0 HA SER A 64 0.571 -12.959 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.978 -11.521 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.413 -11.074 -5.154 1.00 0.00 H new ATOM 0 HG SER A 64 0.380 -9.238 -3.892 1.00 0.00 H new ATOM 933 N SER A 65 2.148 -11.630 -1.583 1.00 0.00 N ATOM 934 CA SER A 65 2.762 -11.276 -0.309 1.00 0.00 C ATOM 935 C SER A 65 3.628 -10.028 -0.451 1.00 0.00 C ATOM 936 O SER A 65 3.857 -9.541 -1.559 1.00 0.00 O ATOM 937 CB SER A 65 3.607 -12.439 0.215 1.00 0.00 C ATOM 938 OG SER A 65 2.789 -13.534 0.591 1.00 0.00 O ATOM 0 H SER A 65 2.801 -11.983 -2.282 1.00 0.00 H new ATOM 0 HA SER A 65 1.965 -11.065 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.313 -12.755 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.195 -12.109 1.072 1.00 0.00 H new ATOM 0 HG SER A 65 3.352 -14.265 0.921 1.00 0.00 H new ATOM 944 N HIS A 66 4.106 -9.514 0.678 1.00 0.00 N ATOM 945 CA HIS A 66 4.947 -8.323 0.680 1.00 0.00 C ATOM 946 C HIS A 66 6.242 -8.571 -0.088 1.00 0.00 C ATOM 947 O HIS A 66 6.737 -7.688 -0.791 1.00 0.00 O ATOM 948 CB HIS A 66 5.264 -7.900 2.115 1.00 0.00 C ATOM 949 CG HIS A 66 5.827 -6.516 2.220 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.716 -5.579 1.214 1.00 0.00 N ATOM 951 CD2 HIS A 66 6.508 -5.911 3.221 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.305 -4.459 1.592 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.794 -4.634 2.806 1.00 0.00 N ATOM 0 H HIS A 66 3.925 -9.904 1.603 1.00 0.00 H new ATOM 0 HA HIS A 66 4.400 -7.521 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.354 -7.960 2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.974 -8.606 2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.777 -6.351 4.170 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.375 -3.554 1.007 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.302 -3.934 3.347 1.00 0.00 H new ATOM 962 N LEU A 67 6.785 -9.775 0.050 1.00 0.00 N ATOM 963 CA LEU A 67 8.023 -10.139 -0.630 1.00 0.00 C ATOM 964 C LEU A 67 7.972 -9.742 -2.102 1.00 0.00 C ATOM 965 O LEU A 67 8.807 -8.973 -2.576 1.00 0.00 O ATOM 966 CB LEU A 67 8.275 -11.642 -0.504 1.00 0.00 C ATOM 967 CG LEU A 67 9.050 -12.091 0.735 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.471 -11.550 0.701 1.00 0.00 C ATOM 969 CD2 LEU A 67 8.337 -11.642 2.003 1.00 0.00 C ATOM 0 H LEU A 67 6.387 -10.516 0.627 1.00 0.00 H new ATOM 0 HA LEU A 67 8.842 -9.599 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.312 -12.153 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.819 -11.974 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 67 9.097 -13.180 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.007 -11.880 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.980 -11.921 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.445 -10.461 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.903 -11.971 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.258 -10.555 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.339 -12.079 2.033 1.00 0.00 H new ATOM 981 N GLU A 68 6.985 -10.271 -2.818 1.00 0.00 N ATOM 982 CA GLU A 68 6.825 -9.970 -4.236 1.00 0.00 C ATOM 983 C GLU A 68 6.540 -8.486 -4.449 1.00 0.00 C ATOM 984 O GLU A 68 7.290 -7.790 -5.133 1.00 0.00 O ATOM 985 CB GLU A 68 5.694 -10.809 -4.834 1.00 0.00 C ATOM 986 CG GLU A 68 6.148 -12.164 -5.351 1.00 0.00 C ATOM 987 CD GLU A 68 5.158 -12.780 -6.320 1.00 0.00 C ATOM 988 OE1 GLU A 68 4.120 -13.297 -5.857 1.00 0.00 O ATOM 989 OE2 GLU A 68 5.422 -12.747 -7.540 1.00 0.00 O ATOM 0 H GLU A 68 6.285 -10.909 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 68 7.758 -10.219 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.924 -10.958 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.234 -10.253 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.114 -12.055 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.294 -12.840 -4.508 1.00 0.00 H new ATOM 996 N VAL A 69 5.449 -8.009 -3.858 1.00 0.00 N ATOM 997 CA VAL A 69 5.063 -6.608 -3.982 1.00 0.00 C ATOM 998 C VAL A 69 6.278 -5.693 -3.882 1.00 0.00 C ATOM 999 O VAL A 69 6.368 -4.684 -4.583 1.00 0.00 O ATOM 1000 CB VAL A 69 4.043 -6.209 -2.898 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.575 -4.777 -3.107 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.864 -7.170 -2.898 1.00 0.00 C ATOM 0 H VAL A 69 4.817 -8.572 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 69 4.603 -6.491 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 69 4.530 -6.268 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.855 -4.513 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.430 -4.103 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.104 -4.687 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.153 -6.874 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.374 -7.145 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.218 -8.181 -2.696 1.00 0.00 H new ATOM 1012 N VAL A 70 7.212 -6.051 -3.007 1.00 0.00 N ATOM 1013 CA VAL A 70 8.424 -5.263 -2.816 1.00 0.00 C ATOM 1014 C VAL A 70 9.285 -5.266 -4.074 1.00 0.00 C ATOM 1015 O VAL A 70 9.442 -4.239 -4.735 1.00 0.00 O ATOM 1016 CB VAL A 70 9.258 -5.794 -1.635 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.637 -5.151 -1.624 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.536 -5.547 -0.320 1.00 0.00 C ATOM 0 H VAL A 70 7.153 -6.882 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 70 8.108 -4.243 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 70 9.385 -6.870 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.212 -5.538 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.154 -5.383 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.534 -4.070 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.139 -5.928 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.377 -4.477 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.573 -6.058 -0.332 1.00 0.00 H new ATOM 1028 N LYS A 71 9.841 -6.427 -4.402 1.00 0.00 N ATOM 1029 CA LYS A 71 10.685 -6.566 -5.582 1.00 0.00 C ATOM 1030 C LYS A 71 10.163 -5.707 -6.729 1.00 0.00 C ATOM 1031 O LYS A 71 10.939 -5.192 -7.536 1.00 0.00 O ATOM 1032 CB LYS A 71 10.750 -8.032 -6.018 1.00 0.00 C ATOM 1033 CG LYS A 71 12.066 -8.413 -6.675 1.00 0.00 C ATOM 1034 CD LYS A 71 11.891 -9.573 -7.641 1.00 0.00 C ATOM 1035 CE LYS A 71 13.208 -10.290 -7.894 1.00 0.00 C ATOM 1036 NZ LYS A 71 14.024 -9.603 -8.933 1.00 0.00 N ATOM 0 H LYS A 71 9.722 -7.287 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 71 11.687 -6.225 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.590 -8.669 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.935 -8.232 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.470 -7.552 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.792 -8.683 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.164 -10.277 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.489 -9.205 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.775 -10.346 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.009 -11.315 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.913 -10.123 -9.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.493 -9.572 -9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.236 -8.633 -8.623 1.00 0.00 H new ATOM 1050 N LEU A 72 8.845 -5.554 -6.795 1.00 0.00 N ATOM 1051 CA LEU A 72 8.219 -4.755 -7.843 1.00 0.00 C ATOM 1052 C LEU A 72 8.405 -3.265 -7.575 1.00 0.00 C ATOM 1053 O LEU A 72 8.737 -2.498 -8.480 1.00 0.00 O ATOM 1054 CB LEU A 72 6.729 -5.084 -7.941 1.00 0.00 C ATOM 1055 CG LEU A 72 6.377 -6.565 -8.095 1.00 0.00 C ATOM 1056 CD1 LEU A 72 4.873 -6.769 -8.002 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.910 -7.105 -9.414 1.00 0.00 C ATOM 0 H LEU A 72 8.189 -5.973 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 72 8.702 -4.999 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.234 -4.705 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.313 -4.542 -8.790 1.00 0.00 H new ATOM 0 HG LEU A 72 6.848 -7.117 -7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.642 -7.828 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.518 -6.420 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.380 -6.205 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.651 -8.160 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.468 -6.548 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.994 -6.994 -9.441 1.00 0.00 H new ATOM 1069 N ILE A 73 8.191 -2.861 -6.327 1.00 0.00 N ATOM 1070 CA ILE A 73 8.339 -1.464 -5.941 1.00 0.00 C ATOM 1071 C ILE A 73 9.782 -0.999 -6.099 1.00 0.00 C ATOM 1072 O ILE A 73 10.056 -0.003 -6.768 1.00 0.00 O ATOM 1073 CB ILE A 73 7.893 -1.232 -4.485 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.387 -1.463 -4.347 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.263 0.173 -4.035 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.920 -1.562 -2.911 1.00 0.00 C ATOM 0 H ILE A 73 7.915 -3.482 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 73 7.699 -0.884 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 73 8.411 -1.945 -3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.856 -0.647 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.119 -2.380 -4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.941 0.321 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.343 0.303 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.770 0.903 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.843 -1.726 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.424 -2.395 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.157 -0.636 -2.387 1.00 0.00 H new ATOM 1088 N LYS A 74 10.704 -1.729 -5.479 1.00 0.00 N ATOM 1089 CA LYS A 74 12.122 -1.395 -5.553 1.00 0.00 C ATOM 1090 C LYS A 74 12.508 -0.972 -6.966 1.00 0.00 C ATOM 1091 O LYS A 74 12.735 0.209 -7.231 1.00 0.00 O ATOM 1092 CB LYS A 74 12.971 -2.590 -5.116 1.00 0.00 C ATOM 1093 CG LYS A 74 13.188 -2.667 -3.615 1.00 0.00 C ATOM 1094 CD LYS A 74 13.762 -4.012 -3.202 1.00 0.00 C ATOM 1095 CE LYS A 74 14.094 -4.044 -1.718 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.387 -3.366 -1.424 1.00 0.00 N ATOM 0 H LYS A 74 10.494 -2.556 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 74 12.309 -0.559 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.490 -3.509 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.940 -2.537 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.864 -1.871 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.241 -2.501 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.046 -4.801 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.662 -4.218 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.295 -3.561 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.141 -5.079 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.577 -3.409 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.154 -3.843 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.334 -2.372 -1.724 1.00 0.00 H new ATOM 1110 N SER A 75 12.581 -1.943 -7.871 1.00 0.00 N ATOM 1111 CA SER A 75 12.943 -1.671 -9.257 1.00 0.00 C ATOM 1112 C SER A 75 12.250 -0.408 -9.761 1.00 0.00 C ATOM 1113 O SER A 75 11.059 -0.420 -10.067 1.00 0.00 O ATOM 1114 CB SER A 75 12.572 -2.860 -10.146 1.00 0.00 C ATOM 1115 OG SER A 75 13.418 -3.968 -9.894 1.00 0.00 O ATOM 0 H SER A 75 12.394 -2.925 -7.669 1.00 0.00 H new ATOM 0 HA SER A 75 14.021 -1.516 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.535 -3.142 -9.967 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.647 -2.572 -11.194 1.00 0.00 H new ATOM 0 HG SER A 75 13.160 -4.715 -10.473 1.00 0.00 H new ATOM 1121 N GLY A 76 13.008 0.681 -9.846 1.00 0.00 N ATOM 1122 CA GLY A 76 12.451 1.937 -10.313 1.00 0.00 C ATOM 1123 C GLY A 76 12.512 3.026 -9.260 1.00 0.00 C ATOM 1124 O GLY A 76 12.369 2.755 -8.068 1.00 0.00 O ATOM 0 H GLY A 76 13.997 0.716 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.993 2.263 -11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.414 1.782 -10.612 1.00 0.00 H new ATOM 1128 N ALA A 77 12.728 4.261 -9.700 1.00 0.00 N ATOM 1129 CA ALA A 77 12.808 5.395 -8.787 1.00 0.00 C ATOM 1130 C ALA A 77 11.472 5.634 -8.091 1.00 0.00 C ATOM 1131 O ALA A 77 11.419 6.239 -7.020 1.00 0.00 O ATOM 1132 CB ALA A 77 13.247 6.645 -9.535 1.00 0.00 C ATOM 0 H ALA A 77 12.851 4.502 -10.683 1.00 0.00 H new ATOM 0 HA ALA A 77 13.550 5.163 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.302 7.484 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.228 6.477 -9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.526 6.871 -10.320 1.00 0.00 H new ATOM 1138 N TYR A 78 10.396 5.156 -8.706 1.00 0.00 N ATOM 1139 CA TYR A 78 9.060 5.321 -8.147 1.00 0.00 C ATOM 1140 C TYR A 78 8.166 4.140 -8.514 1.00 0.00 C ATOM 1141 O TYR A 78 8.528 3.308 -9.345 1.00 0.00 O ATOM 1142 CB TYR A 78 8.432 6.624 -8.647 1.00 0.00 C ATOM 1143 CG TYR A 78 8.570 6.829 -10.138 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.840 6.059 -11.035 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.430 7.792 -10.651 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.962 6.242 -12.399 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.557 7.984 -12.013 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.822 7.206 -12.883 1.00 0.00 C ATOM 1149 OH TYR A 78 8.947 7.393 -14.240 1.00 0.00 O ATOM 0 H TYR A 78 10.423 4.651 -9.592 1.00 0.00 H new ATOM 0 HA TYR A 78 9.151 5.362 -7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.374 6.632 -8.384 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.896 7.463 -8.129 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.165 5.304 -10.659 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.009 8.401 -9.973 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.388 5.634 -13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.228 8.739 -12.395 1.00 0.00 H new ATOM 0 HH TYR A 78 9.592 8.110 -14.413 1.00 0.00 H new ATOM 1159 N VAL A 79 6.996 4.075 -7.886 1.00 0.00 N ATOM 1160 CA VAL A 79 6.048 2.998 -8.146 1.00 0.00 C ATOM 1161 C VAL A 79 4.617 3.522 -8.180 1.00 0.00 C ATOM 1162 O VAL A 79 4.246 4.394 -7.396 1.00 0.00 O ATOM 1163 CB VAL A 79 6.153 1.890 -7.082 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.758 2.424 -5.713 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.288 0.699 -7.467 1.00 0.00 C ATOM 0 H VAL A 79 6.682 4.755 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 79 6.302 2.581 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 79 7.190 1.557 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.839 1.627 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.422 3.243 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.730 2.785 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.374 -0.075 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.248 1.015 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.621 0.302 -8.426 1.00 0.00 H new ATOM 1175 N ALA A 80 3.817 2.983 -9.094 1.00 0.00 N ATOM 1176 CA ALA A 80 2.425 3.394 -9.229 1.00 0.00 C ATOM 1177 C ALA A 80 1.492 2.407 -8.535 1.00 0.00 C ATOM 1178 O ALA A 80 1.394 1.245 -8.931 1.00 0.00 O ATOM 1179 CB ALA A 80 2.055 3.529 -10.699 1.00 0.00 C ATOM 0 H ALA A 80 4.109 2.261 -9.752 1.00 0.00 H new ATOM 0 HA ALA A 80 2.309 4.364 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.013 3.836 -10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.694 4.277 -11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.193 2.570 -11.198 1.00 0.00 H new ATOM 1185 N LEU A 81 0.808 2.877 -7.498 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.118 2.036 -6.747 1.00 0.00 C ATOM 1187 C LEU A 81 -1.565 2.396 -7.070 1.00 0.00 C ATOM 1188 O LEU A 81 -1.921 3.572 -7.146 1.00 0.00 O ATOM 1189 CB LEU A 81 0.133 2.181 -5.245 1.00 0.00 C ATOM 1190 CG LEU A 81 1.591 2.084 -4.796 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.775 2.735 -3.433 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.044 0.632 -4.761 1.00 0.00 C ATOM 0 H LEU A 81 0.877 3.836 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 81 0.053 1.000 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.262 3.144 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.438 1.412 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 81 2.209 2.619 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.819 2.656 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.492 3.786 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.146 2.230 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.084 0.583 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.421 0.073 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.951 0.198 -5.757 1.00 0.00 H new ATOM 1204 N THR A 82 -2.396 1.375 -7.256 1.00 0.00 N ATOM 1205 CA THR A 82 -3.804 1.584 -7.569 1.00 0.00 C ATOM 1206 C THR A 82 -4.688 1.258 -6.370 1.00 0.00 C ATOM 1207 O THR A 82 -5.062 0.104 -6.158 1.00 0.00 O ATOM 1208 CB THR A 82 -4.246 0.723 -8.768 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.451 1.037 -9.916 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.717 0.952 -9.084 1.00 0.00 C ATOM 0 H THR A 82 -2.118 0.395 -7.195 1.00 0.00 H new ATOM 0 HA THR A 82 -3.918 2.637 -7.825 1.00 0.00 H new ATOM 0 HB THR A 82 -4.106 -0.326 -8.506 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.748 0.496 -10.677 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.007 0.334 -9.934 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.321 0.684 -8.217 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.878 2.002 -9.328 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.018 2.281 -5.590 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.860 2.103 -4.412 1.00 0.00 C ATOM 1220 C LEU A 83 -7.336 2.096 -4.793 1.00 0.00 C ATOM 1221 O LEU A 83 -7.802 2.964 -5.534 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.589 3.214 -3.395 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.127 3.628 -3.227 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.947 4.447 -1.957 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.225 2.403 -3.205 1.00 0.00 C ATOM 0 H LEU A 83 -4.716 3.242 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.616 1.140 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.164 4.093 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.968 2.892 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.845 4.247 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.900 4.733 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.564 5.344 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.247 3.852 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.188 2.717 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.508 1.758 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.332 1.855 -4.141 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.069 1.113 -4.282 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.495 0.994 -4.567 1.00 0.00 C ATOM 1239 C LEU A 84 -10.313 1.042 -3.280 1.00 0.00 C ATOM 1240 O LEU A 84 -9.995 0.363 -2.305 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.778 -0.309 -5.317 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.156 -0.930 -5.087 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -12.253 0.089 -5.354 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -11.341 -2.158 -5.966 1.00 0.00 C ATOM 0 H LEU A 84 -7.700 0.387 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.787 1.837 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.659 -0.124 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.020 -1.040 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.223 -1.240 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.226 -0.372 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.132 0.939 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.188 0.431 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.327 -2.587 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.252 -1.872 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.576 -2.896 -5.726 1.00 0.00 H new ATOM 1256 N GLY A 85 -11.371 1.847 -3.287 1.00 0.00 N ATOM 1257 CA GLY A 85 -12.220 1.966 -2.117 1.00 0.00 C ATOM 1258 C GLY A 85 -13.210 0.824 -1.999 1.00 0.00 C ATOM 1259 O GLY A 85 -12.887 -0.321 -2.315 1.00 0.00 O ATOM 0 H GLY A 85 -11.655 2.419 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.598 1.997 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.763 2.910 -2.161 1.00 0.00 H new ATOM 1263 N SER A 86 -14.418 1.134 -1.541 1.00 0.00 N ATOM 1264 CA SER A 86 -15.457 0.124 -1.377 1.00 0.00 C ATOM 1265 C SER A 86 -16.465 0.190 -2.520 1.00 0.00 C ATOM 1266 O SER A 86 -16.585 1.210 -3.197 1.00 0.00 O ATOM 1267 CB SER A 86 -16.173 0.311 -0.038 1.00 0.00 C ATOM 1268 OG SER A 86 -16.909 1.522 -0.019 1.00 0.00 O ATOM 0 H SER A 86 -14.702 2.077 -1.277 1.00 0.00 H new ATOM 0 HA SER A 86 -14.981 -0.857 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.844 -0.529 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.443 0.312 0.771 1.00 0.00 H new ATOM 0 HG SER A 86 -17.359 1.618 0.846 1.00 0.00 H new ATOM 1274 N SER A 87 -17.187 -0.907 -2.728 1.00 0.00 N ATOM 1275 CA SER A 87 -18.182 -0.976 -3.791 1.00 0.00 C ATOM 1276 C SER A 87 -19.588 -0.778 -3.233 1.00 0.00 C ATOM 1277 O SER A 87 -19.800 -0.831 -2.021 1.00 0.00 O ATOM 1278 CB SER A 87 -18.093 -2.321 -4.515 1.00 0.00 C ATOM 1279 OG SER A 87 -16.816 -2.501 -5.102 1.00 0.00 O ATOM 0 H SER A 87 -17.101 -1.759 -2.174 1.00 0.00 H new ATOM 0 HA SER A 87 -17.976 -0.175 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 87 -18.291 -3.130 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 87 -18.862 -2.374 -5.286 1.00 0.00 H new ATOM 0 HG SER A 87 -16.784 -3.368 -5.557 1.00 0.00 H new ATOM 1285 N SER A 88 -20.546 -0.549 -4.126 1.00 0.00 N ATOM 1286 CA SER A 88 -21.931 -0.339 -3.723 1.00 0.00 C ATOM 1287 C SER A 88 -22.279 -1.190 -2.506 1.00 0.00 C ATOM 1288 O SER A 88 -22.075 -2.403 -2.504 1.00 0.00 O ATOM 1289 CB SER A 88 -22.877 -0.672 -4.879 1.00 0.00 C ATOM 1290 OG SER A 88 -22.695 -2.008 -5.317 1.00 0.00 O ATOM 0 H SER A 88 -20.388 -0.504 -5.133 1.00 0.00 H new ATOM 0 HA SER A 88 -22.050 0.711 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 88 -23.910 -0.527 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 88 -22.699 0.013 -5.708 1.00 0.00 H new ATOM 0 HG SER A 88 -22.529 -2.586 -4.543 1.00 0.00 H new ATOM 1296 N GLY A 89 -22.806 -0.544 -1.470 1.00 0.00 N ATOM 1297 CA GLY A 89 -23.173 -1.256 -0.260 1.00 0.00 C ATOM 1298 C GLY A 89 -24.570 -0.910 0.215 1.00 0.00 C ATOM 1299 O GLY A 89 -24.759 -0.071 1.096 1.00 0.00 O ATOM 0 H GLY A 89 -22.985 0.460 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -23.109 -2.329 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -22.456 -1.022 0.527 1.00 0.00 H new ATOM 1303 N PRO A 90 -25.580 -1.563 -0.378 1.00 0.00 N ATOM 1304 CA PRO A 90 -26.985 -1.335 -0.027 1.00 0.00 C ATOM 1305 C PRO A 90 -27.329 -1.864 1.361 1.00 0.00 C ATOM 1306 O PRO A 90 -28.479 -1.797 1.794 1.00 0.00 O ATOM 1307 CB PRO A 90 -27.750 -2.114 -1.100 1.00 0.00 C ATOM 1308 CG PRO A 90 -26.803 -3.175 -1.545 1.00 0.00 C ATOM 1309 CD PRO A 90 -25.428 -2.575 -1.437 1.00 0.00 C ATOM 0 HA PRO A 90 -27.230 -0.273 0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -28.667 -2.545 -0.698 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -28.038 -1.467 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -26.891 -4.064 -0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -27.015 -3.483 -2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -24.682 -3.325 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -25.110 -2.127 -2.378 1.00 0.00 H new ATOM 1317 N SER A 91 -26.324 -2.388 2.055 1.00 0.00 N ATOM 1318 CA SER A 91 -26.521 -2.931 3.394 1.00 0.00 C ATOM 1319 C SER A 91 -26.615 -1.812 4.426 1.00 0.00 C ATOM 1320 O SER A 91 -26.015 -0.749 4.262 1.00 0.00 O ATOM 1321 CB SER A 91 -25.376 -3.879 3.757 1.00 0.00 C ATOM 1322 OG SER A 91 -25.803 -4.867 4.678 1.00 0.00 O ATOM 0 H SER A 91 -25.365 -2.448 1.712 1.00 0.00 H new ATOM 0 HA SER A 91 -27.459 -3.486 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.997 -4.359 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.551 -3.310 4.186 1.00 0.00 H new ATOM 0 HG SER A 91 -25.053 -5.461 4.892 1.00 0.00 H new ATOM 1328 N SER A 92 -27.373 -2.058 5.490 1.00 0.00 N ATOM 1329 CA SER A 92 -27.551 -1.070 6.547 1.00 0.00 C ATOM 1330 C SER A 92 -26.250 -0.319 6.813 1.00 0.00 C ATOM 1331 O SER A 92 -26.208 0.910 6.761 1.00 0.00 O ATOM 1332 CB SER A 92 -28.032 -1.748 7.832 1.00 0.00 C ATOM 1333 OG SER A 92 -29.065 -2.680 7.560 1.00 0.00 O ATOM 0 H SER A 92 -27.874 -2.933 5.643 1.00 0.00 H new ATOM 0 HA SER A 92 -28.304 -0.354 6.218 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.197 -2.256 8.314 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.393 -0.994 8.532 1.00 0.00 H new ATOM 0 HG SER A 92 -29.354 -3.101 8.396 1.00 0.00 H new ATOM 1339 N GLY A 93 -25.188 -1.067 7.097 1.00 0.00 N ATOM 1340 CA GLY A 93 -23.900 -0.456 7.366 1.00 0.00 C ATOM 1341 C GLY A 93 -23.205 -1.073 8.564 1.00 0.00 C ATOM 1342 O GLY A 93 -23.695 -0.980 9.690 1.00 0.00 O ATOM 0 H GLY A 93 -25.197 -2.086 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -23.262 -0.558 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.037 0.611 7.539 1.00 0.00 H new TER 1346 GLY A 93