USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 711 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 75 ASN : amide:sc= 0.113 K(o=-4.4,f=-1.2) USER MOD Set 1.2: A 86 GLN : amide:sc= -4.53! K(o=-4.4!,f=-1.2) USER MOD Set 2.1: A 68 SER OG : rot 180:sc= -0.0456 USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 SER OG : rot 180:sc= -0.0757 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.026 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.206 USER MOD Single : A 9 SER OG : rot 180:sc= -0.012 USER MOD Single : A 12 MET CE :methyl -138:sc= 0 (180deg=-0.0184) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -22:sc= 0.424! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 151:sc= -1.66 (180deg=-1.98!) USER MOD Single : A 58 ASN : amide:sc= -2.63 K(o=-2.6,f=-0.95) USER MOD Single : A 59 ASN : amide:sc= 0.278 K(o=0.28,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 71 GLN : amide:sc= -3.84 X(o=-3.8,f=-4.1!) USER MOD Single : A 73 MET CE :methyl -157:sc= -1.6 (180deg=-2.34) USER MOD Single : A 74 SER OG : rot 180:sc= -0.896 USER MOD Single : A 79 ASN : amide:sc= -0.914 K(o=-0.91,f=-0.1) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.221 2.962 -46.541 1.00 23.23 N ATOM 2 CA GLY A 1 15.564 2.626 -45.171 1.00 62.11 C ATOM 3 C GLY A 1 15.114 3.685 -44.184 1.00 64.55 C ATOM 4 O GLY A 1 14.126 4.381 -44.418 1.00 1.02 O ATOM 0 H1 GLY A 1 14.730 2.159 -46.983 1.00 23.23 H new ATOM 0 H2 GLY A 1 14.599 3.795 -46.549 1.00 23.23 H new ATOM 0 H3 GLY A 1 16.089 3.173 -47.074 1.00 23.23 H new ATOM 0 HA2 GLY A 1 15.107 1.672 -44.909 1.00 62.11 H new ATOM 0 HA3 GLY A 1 16.643 2.495 -45.092 1.00 62.11 H new ATOM 8 N SER A 2 15.839 3.805 -43.076 1.00 65.45 N ATOM 9 CA SER A 2 15.505 4.782 -42.047 1.00 64.20 C ATOM 10 C SER A 2 15.759 6.202 -42.543 1.00 32.14 C ATOM 11 O SER A 2 16.342 6.403 -43.609 1.00 23.35 O ATOM 12 CB SER A 2 16.321 4.519 -40.780 1.00 51.43 C ATOM 13 OG SER A 2 15.637 3.637 -39.906 1.00 34.14 O ATOM 0 H SER A 2 16.661 3.238 -42.868 1.00 65.45 H new ATOM 0 HA SER A 2 14.445 4.681 -41.815 1.00 64.20 H new ATOM 0 HB2 SER A 2 17.288 4.093 -41.048 1.00 51.43 H new ATOM 0 HB3 SER A 2 16.519 5.461 -40.269 1.00 51.43 H new ATOM 0 HG SER A 2 16.180 3.484 -39.105 1.00 34.14 H new ATOM 19 N ARG A 3 15.318 7.182 -41.762 1.00 34.43 N ATOM 20 CA ARG A 3 15.496 8.584 -42.123 1.00 45.11 C ATOM 21 C ARG A 3 15.185 9.494 -40.937 1.00 72.01 C ATOM 22 O ARG A 3 14.750 9.029 -39.882 1.00 33.41 O ATOM 23 CB ARG A 3 14.597 8.947 -43.306 1.00 74.12 C ATOM 24 CG ARG A 3 15.279 9.827 -44.341 1.00 24.04 C ATOM 25 CD ARG A 3 14.748 9.557 -45.740 1.00 52.44 C ATOM 26 NE ARG A 3 13.759 10.548 -46.152 1.00 64.30 N ATOM 27 CZ ARG A 3 13.351 10.702 -47.406 1.00 34.11 C ATOM 28 NH1 ARG A 3 13.845 9.933 -48.367 1.00 3.05 N ATOM 29 NH2 ARG A 3 12.447 11.627 -47.703 1.00 63.32 N ATOM 0 H ARG A 3 14.835 7.032 -40.876 1.00 34.43 H new ATOM 0 HA ARG A 3 16.538 8.730 -42.409 1.00 45.11 H new ATOM 0 HB2 ARG A 3 14.257 8.030 -43.788 1.00 74.12 H new ATOM 0 HB3 ARG A 3 13.710 9.459 -42.934 1.00 74.12 H new ATOM 0 HG2 ARG A 3 15.123 10.876 -44.088 1.00 24.04 H new ATOM 0 HG3 ARG A 3 16.354 9.650 -44.319 1.00 24.04 H new ATOM 0 HD2 ARG A 3 15.577 9.556 -46.448 1.00 52.44 H new ATOM 0 HD3 ARG A 3 14.300 8.564 -45.772 1.00 52.44 H new ATOM 0 HE ARG A 3 13.359 11.156 -45.437 1.00 64.30 H new ATOM 0 HH11 ARG A 3 14.540 9.221 -48.144 1.00 3.05 H new ATOM 0 HH12 ARG A 3 13.530 10.054 -49.329 1.00 3.05 H new ATOM 0 HH21 ARG A 3 12.065 12.221 -46.967 1.00 63.32 H new ATOM 0 HH22 ARG A 3 12.135 11.744 -48.667 1.00 63.32 H new ATOM 43 N ARG A 4 15.412 10.791 -41.117 1.00 64.35 N ATOM 44 CA ARG A 4 15.158 11.765 -40.063 1.00 45.14 C ATOM 45 C ARG A 4 15.892 11.382 -38.780 1.00 33.02 C ATOM 46 O ARG A 4 16.684 10.440 -38.765 1.00 14.44 O ATOM 47 CB ARG A 4 13.656 11.872 -39.789 1.00 3.52 C ATOM 48 CG ARG A 4 13.114 13.286 -39.925 1.00 64.42 C ATOM 49 CD ARG A 4 12.435 13.495 -41.269 1.00 14.15 C ATOM 50 NE ARG A 4 12.101 14.898 -41.501 1.00 31.20 N ATOM 51 CZ ARG A 4 11.086 15.518 -40.910 1.00 31.02 C ATOM 52 NH1 ARG A 4 10.312 14.865 -40.056 1.00 72.24 N ATOM 53 NH2 ARG A 4 10.845 16.797 -41.172 1.00 53.23 N ATOM 0 H ARG A 4 15.772 11.192 -41.983 1.00 64.35 H new ATOM 0 HA ARG A 4 15.530 12.732 -40.400 1.00 45.14 H new ATOM 0 HB2 ARG A 4 13.121 11.219 -40.479 1.00 3.52 H new ATOM 0 HB3 ARG A 4 13.452 11.508 -38.782 1.00 3.52 H new ATOM 0 HG2 ARG A 4 12.403 13.483 -39.122 1.00 64.42 H new ATOM 0 HG3 ARG A 4 13.929 14.002 -39.812 1.00 64.42 H new ATOM 0 HD2 ARG A 4 13.090 13.142 -42.065 1.00 14.15 H new ATOM 0 HD3 ARG A 4 11.527 12.894 -41.314 1.00 14.15 H new ATOM 0 HE ARG A 4 12.678 15.430 -42.152 1.00 31.20 H new ATOM 0 HH11 ARG A 4 10.495 13.883 -39.850 1.00 72.24 H new ATOM 0 HH12 ARG A 4 9.533 15.344 -39.604 1.00 72.24 H new ATOM 0 HH21 ARG A 4 11.440 17.304 -41.828 1.00 53.23 H new ATOM 0 HH22 ARG A 4 10.065 17.273 -40.718 1.00 53.23 H new ATOM 67 N ALA A 5 15.624 12.119 -37.709 1.00 43.42 N ATOM 68 CA ALA A 5 16.258 11.856 -36.422 1.00 14.44 C ATOM 69 C ALA A 5 15.364 12.297 -35.268 1.00 32.45 C ATOM 70 O ALA A 5 15.230 11.592 -34.268 1.00 34.23 O ATOM 71 CB ALA A 5 17.606 12.558 -36.345 1.00 0.42 C ATOM 0 H ALA A 5 14.972 12.904 -37.706 1.00 43.42 H new ATOM 0 HA ALA A 5 16.414 10.781 -36.335 1.00 14.44 H new ATOM 0 HB1 ALA A 5 18.068 12.353 -35.379 1.00 0.42 H new ATOM 0 HB2 ALA A 5 18.253 12.192 -37.142 1.00 0.42 H new ATOM 0 HB3 ALA A 5 17.464 13.633 -36.459 1.00 0.42 H new ATOM 77 N SER A 6 14.752 13.469 -35.414 1.00 34.13 N ATOM 78 CA SER A 6 13.874 14.006 -34.382 1.00 13.10 C ATOM 79 C SER A 6 14.644 14.258 -33.090 1.00 41.45 C ATOM 80 O SER A 6 15.757 13.763 -32.910 1.00 51.12 O ATOM 81 CB SER A 6 12.714 13.044 -34.118 1.00 30.41 C ATOM 82 OG SER A 6 12.467 12.222 -35.246 1.00 25.31 O ATOM 0 H SER A 6 14.849 14.064 -36.237 1.00 34.13 H new ATOM 0 HA SER A 6 13.475 14.956 -34.738 1.00 13.10 H new ATOM 0 HB2 SER A 6 12.943 12.421 -33.253 1.00 30.41 H new ATOM 0 HB3 SER A 6 11.816 13.611 -33.873 1.00 30.41 H new ATOM 0 HG SER A 6 11.723 11.615 -35.052 1.00 25.31 H new ATOM 88 N VAL A 7 14.044 15.032 -32.191 1.00 12.11 N ATOM 89 CA VAL A 7 14.672 15.350 -30.914 1.00 12.11 C ATOM 90 C VAL A 7 13.627 15.534 -29.819 1.00 21.12 C ATOM 91 O VAL A 7 12.428 15.576 -30.090 1.00 33.43 O ATOM 92 CB VAL A 7 15.528 16.626 -31.012 1.00 0.43 C ATOM 93 CG1 VAL A 7 16.701 16.411 -31.956 1.00 2.12 C ATOM 94 CG2 VAL A 7 14.678 17.804 -31.463 1.00 33.00 C ATOM 0 H VAL A 7 13.123 15.451 -32.324 1.00 12.11 H new ATOM 0 HA VAL A 7 15.316 14.509 -30.659 1.00 12.11 H new ATOM 0 HB VAL A 7 15.926 16.853 -30.023 1.00 0.43 H new ATOM 0 HG11 VAL A 7 17.295 17.323 -32.013 1.00 2.12 H new ATOM 0 HG12 VAL A 7 17.323 15.596 -31.584 1.00 2.12 H new ATOM 0 HG13 VAL A 7 16.328 16.159 -32.949 1.00 2.12 H new ATOM 0 HG21 VAL A 7 15.299 18.697 -31.527 1.00 33.00 H new ATOM 0 HG22 VAL A 7 14.249 17.590 -32.442 1.00 33.00 H new ATOM 0 HG23 VAL A 7 13.876 17.970 -30.744 1.00 33.00 H new ATOM 104 N GLY A 8 14.092 15.645 -28.578 1.00 41.43 N ATOM 105 CA GLY A 8 13.185 15.825 -27.459 1.00 62.21 C ATOM 106 C GLY A 8 13.916 16.020 -26.146 1.00 24.50 C ATOM 107 O GLY A 8 15.131 16.213 -26.126 1.00 54.23 O ATOM 0 H GLY A 8 15.080 15.613 -28.328 1.00 41.43 H new ATOM 0 HA2 GLY A 8 12.547 16.688 -27.648 1.00 62.21 H new ATOM 0 HA3 GLY A 8 12.531 14.956 -27.382 1.00 62.21 H new ATOM 111 N SER A 9 13.173 15.971 -25.045 1.00 23.15 N ATOM 112 CA SER A 9 13.757 16.150 -23.720 1.00 20.14 C ATOM 113 C SER A 9 12.987 15.350 -22.674 1.00 61.14 C ATOM 114 O SER A 9 11.758 15.387 -22.631 1.00 20.13 O ATOM 115 CB SER A 9 13.766 17.632 -23.340 1.00 11.42 C ATOM 116 OG SER A 9 13.364 18.442 -24.431 1.00 54.34 O ATOM 0 H SER A 9 12.166 15.809 -25.044 1.00 23.15 H new ATOM 0 HA SER A 9 14.783 15.783 -23.750 1.00 20.14 H new ATOM 0 HB2 SER A 9 13.098 17.798 -22.495 1.00 11.42 H new ATOM 0 HB3 SER A 9 14.766 17.922 -23.017 1.00 11.42 H new ATOM 0 HG SER A 9 13.377 19.384 -24.161 1.00 54.34 H new ATOM 122 N GLU A 10 13.720 14.627 -21.833 1.00 71.32 N ATOM 123 CA GLU A 10 13.106 13.817 -20.788 1.00 42.32 C ATOM 124 C GLU A 10 13.644 14.203 -19.413 1.00 32.34 C ATOM 125 O GLU A 10 14.503 15.077 -19.294 1.00 53.21 O ATOM 126 CB GLU A 10 13.361 12.330 -21.049 1.00 44.12 C ATOM 127 CG GLU A 10 12.464 11.738 -22.121 1.00 50.15 C ATOM 128 CD GLU A 10 13.196 10.760 -23.020 1.00 63.41 C ATOM 129 OE1 GLU A 10 13.900 11.218 -23.944 1.00 71.34 O ATOM 130 OE2 GLU A 10 13.066 9.538 -22.799 1.00 63.41 O ATOM 0 H GLU A 10 14.739 14.586 -21.855 1.00 71.32 H new ATOM 0 HA GLU A 10 12.032 14.003 -20.804 1.00 42.32 H new ATOM 0 HB2 GLU A 10 14.402 12.195 -21.343 1.00 44.12 H new ATOM 0 HB3 GLU A 10 13.217 11.777 -20.121 1.00 44.12 H new ATOM 0 HG2 GLU A 10 11.624 11.231 -21.647 1.00 50.15 H new ATOM 0 HG3 GLU A 10 12.049 12.543 -22.728 1.00 50.15 H new ATOM 137 N PHE A 11 13.132 13.547 -18.379 1.00 43.51 N ATOM 138 CA PHE A 11 13.559 13.821 -17.011 1.00 24.55 C ATOM 139 C PHE A 11 13.477 15.315 -16.706 1.00 52.20 C ATOM 140 O PHE A 11 14.484 16.022 -16.740 1.00 64.13 O ATOM 141 CB PHE A 11 14.988 13.322 -16.791 1.00 43.40 C ATOM 142 CG PHE A 11 15.057 11.982 -16.116 1.00 40.30 C ATOM 143 CD1 PHE A 11 14.471 11.785 -14.876 1.00 31.11 C ATOM 144 CD2 PHE A 11 15.709 10.919 -16.721 1.00 11.13 C ATOM 145 CE1 PHE A 11 14.532 10.552 -14.252 1.00 14.03 C ATOM 146 CE2 PHE A 11 15.774 9.686 -16.103 1.00 64.23 C ATOM 147 CZ PHE A 11 15.185 9.502 -14.866 1.00 14.32 C ATOM 0 H PHE A 11 12.420 12.821 -18.461 1.00 43.51 H new ATOM 0 HA PHE A 11 12.889 13.292 -16.334 1.00 24.55 H new ATOM 0 HB2 PHE A 11 15.496 13.262 -17.754 1.00 43.40 H new ATOM 0 HB3 PHE A 11 15.531 14.051 -16.190 1.00 43.40 H new ATOM 0 HD1 PHE A 11 13.961 12.604 -14.391 1.00 31.11 H new ATOM 0 HD2 PHE A 11 16.172 11.057 -17.687 1.00 11.13 H new ATOM 0 HE1 PHE A 11 14.070 10.411 -13.286 1.00 14.03 H new ATOM 0 HE2 PHE A 11 16.285 8.866 -16.586 1.00 64.23 H new ATOM 0 HZ PHE A 11 15.236 8.538 -14.381 1.00 14.32 H new ATOM 157 N MET A 12 12.270 15.787 -16.408 1.00 75.32 N ATOM 158 CA MET A 12 12.056 17.195 -16.097 1.00 74.03 C ATOM 159 C MET A 12 12.760 17.577 -14.798 1.00 32.23 C ATOM 160 O MET A 12 13.348 16.729 -14.127 1.00 31.22 O ATOM 161 CB MET A 12 10.560 17.493 -15.988 1.00 23.01 C ATOM 162 CG MET A 12 9.991 18.202 -17.205 1.00 33.23 C ATOM 163 SD MET A 12 8.264 18.675 -16.990 1.00 11.32 S ATOM 164 CE MET A 12 7.453 17.092 -17.195 1.00 63.42 C ATOM 0 H MET A 12 11.426 15.215 -16.376 1.00 75.32 H new ATOM 0 HA MET A 12 12.479 17.790 -16.907 1.00 74.03 H new ATOM 0 HB2 MET A 12 10.022 16.557 -15.838 1.00 23.01 H new ATOM 0 HB3 MET A 12 10.384 18.107 -15.105 1.00 23.01 H new ATOM 0 HG2 MET A 12 10.584 19.093 -17.412 1.00 33.23 H new ATOM 0 HG3 MET A 12 10.080 17.551 -18.074 1.00 33.23 H new ATOM 0 HE1 MET A 12 6.557 17.218 -17.803 1.00 63.42 H new ATOM 0 HE2 MET A 12 8.132 16.397 -17.689 1.00 63.42 H new ATOM 0 HE3 MET A 12 7.175 16.696 -16.218 1.00 63.42 H new ATOM 174 N VAL A 13 12.696 18.858 -14.451 1.00 34.23 N ATOM 175 CA VAL A 13 13.326 19.353 -13.233 1.00 60.25 C ATOM 176 C VAL A 13 12.619 18.817 -11.992 1.00 13.11 C ATOM 177 O VAL A 13 11.413 18.569 -12.011 1.00 4.24 O ATOM 178 CB VAL A 13 13.327 20.892 -13.186 1.00 42.03 C ATOM 179 CG1 VAL A 13 14.242 21.459 -14.260 1.00 31.40 C ATOM 180 CG2 VAL A 13 11.912 21.430 -13.340 1.00 60.21 C ATOM 0 H VAL A 13 12.214 19.572 -14.996 1.00 34.23 H new ATOM 0 HA VAL A 13 14.356 18.998 -13.243 1.00 60.25 H new ATOM 0 HB VAL A 13 13.708 21.208 -12.215 1.00 42.03 H new ATOM 0 HG11 VAL A 13 14.229 22.548 -14.211 1.00 31.40 H new ATOM 0 HG12 VAL A 13 15.259 21.100 -14.099 1.00 31.40 H new ATOM 0 HG13 VAL A 13 13.895 21.136 -15.241 1.00 31.40 H new ATOM 0 HG21 VAL A 13 11.931 22.519 -13.305 1.00 60.21 H new ATOM 0 HG22 VAL A 13 11.501 21.105 -14.296 1.00 60.21 H new ATOM 0 HG23 VAL A 13 11.289 21.051 -12.530 1.00 60.21 H new ATOM 190 N VAL A 14 13.377 18.642 -10.915 1.00 75.12 N ATOM 191 CA VAL A 14 12.824 18.137 -9.664 1.00 34.43 C ATOM 192 C VAL A 14 12.316 16.709 -9.824 1.00 20.54 C ATOM 193 O VAL A 14 11.974 16.281 -10.926 1.00 73.30 O ATOM 194 CB VAL A 14 11.672 19.027 -9.162 1.00 65.31 C ATOM 195 CG1 VAL A 14 10.345 18.286 -9.252 1.00 52.43 C ATOM 196 CG2 VAL A 14 11.937 19.489 -7.737 1.00 10.11 C ATOM 0 H VAL A 14 14.377 18.843 -10.883 1.00 75.12 H new ATOM 0 HA VAL A 14 13.631 18.152 -8.932 1.00 34.43 H new ATOM 0 HB VAL A 14 11.613 19.908 -9.801 1.00 65.31 H new ATOM 0 HG11 VAL A 14 9.543 18.931 -8.893 1.00 52.43 H new ATOM 0 HG12 VAL A 14 10.152 18.010 -10.289 1.00 52.43 H new ATOM 0 HG13 VAL A 14 10.389 17.386 -8.639 1.00 52.43 H new ATOM 0 HG21 VAL A 14 11.113 20.117 -7.399 1.00 10.11 H new ATOM 0 HG22 VAL A 14 12.024 18.621 -7.083 1.00 10.11 H new ATOM 0 HG23 VAL A 14 12.865 20.061 -7.706 1.00 10.11 H new ATOM 206 N ASP A 15 12.269 15.976 -8.717 1.00 12.01 N ATOM 207 CA ASP A 15 11.801 14.595 -8.735 1.00 42.32 C ATOM 208 C ASP A 15 11.146 14.227 -7.407 1.00 22.50 C ATOM 209 O ASP A 15 11.774 14.300 -6.351 1.00 3.34 O ATOM 210 CB ASP A 15 12.964 13.644 -9.023 1.00 34.44 C ATOM 211 CG ASP A 15 13.471 13.766 -10.447 1.00 22.30 C ATOM 212 OD1 ASP A 15 12.939 13.060 -11.329 1.00 50.13 O ATOM 213 OD2 ASP A 15 14.401 14.567 -10.680 1.00 40.31 O ATOM 0 H ASP A 15 12.549 16.315 -7.797 1.00 12.01 H new ATOM 0 HA ASP A 15 11.058 14.499 -9.527 1.00 42.32 H new ATOM 0 HB2 ASP A 15 13.780 13.852 -8.331 1.00 34.44 H new ATOM 0 HB3 ASP A 15 12.645 12.618 -8.840 1.00 34.44 H new ATOM 218 N VAL A 16 9.877 13.834 -7.468 1.00 50.12 N ATOM 219 CA VAL A 16 9.136 13.455 -6.272 1.00 53.12 C ATOM 220 C VAL A 16 8.150 12.330 -6.569 1.00 24.12 C ATOM 221 O VAL A 16 6.935 12.522 -6.510 1.00 32.01 O ATOM 222 CB VAL A 16 8.368 14.654 -5.684 1.00 43.34 C ATOM 223 CG1 VAL A 16 7.737 14.283 -4.350 1.00 54.14 C ATOM 224 CG2 VAL A 16 9.291 15.853 -5.531 1.00 51.23 C ATOM 0 H VAL A 16 9.341 13.770 -8.334 1.00 50.12 H new ATOM 0 HA VAL A 16 9.868 13.109 -5.543 1.00 53.12 H new ATOM 0 HB VAL A 16 7.568 14.925 -6.374 1.00 43.34 H new ATOM 0 HG11 VAL A 16 7.199 15.143 -3.950 1.00 54.14 H new ATOM 0 HG12 VAL A 16 7.043 13.455 -4.494 1.00 54.14 H new ATOM 0 HG13 VAL A 16 8.517 13.985 -3.649 1.00 54.14 H new ATOM 0 HG21 VAL A 16 8.733 16.691 -5.114 1.00 51.23 H new ATOM 0 HG22 VAL A 16 10.113 15.597 -4.863 1.00 51.23 H new ATOM 0 HG23 VAL A 16 9.690 16.132 -6.506 1.00 51.23 H new ATOM 234 N THR A 17 8.681 11.154 -6.889 1.00 44.24 N ATOM 235 CA THR A 17 7.849 9.997 -7.196 1.00 22.41 C ATOM 236 C THR A 17 7.749 9.058 -6.000 1.00 51.04 C ATOM 237 O THR A 17 8.473 9.212 -5.016 1.00 43.53 O ATOM 238 CB THR A 17 8.397 9.216 -8.404 1.00 2.42 C ATOM 239 OG1 THR A 17 9.777 9.540 -8.612 1.00 65.23 O ATOM 240 CG2 THR A 17 7.601 9.533 -9.661 1.00 22.14 C ATOM 0 H THR A 17 9.684 10.978 -6.942 1.00 44.24 H new ATOM 0 HA THR A 17 6.857 10.377 -7.439 1.00 22.41 H new ATOM 0 HB THR A 17 8.302 8.151 -8.193 1.00 2.42 H new ATOM 0 HG1 THR A 17 10.119 9.038 -9.381 1.00 65.23 H new ATOM 0 HG21 THR A 17 8.007 8.969 -10.501 1.00 22.14 H new ATOM 0 HG22 THR A 17 6.557 9.257 -9.510 1.00 22.14 H new ATOM 0 HG23 THR A 17 7.667 10.600 -9.874 1.00 22.14 H new ATOM 248 N ILE A 18 6.849 8.085 -6.091 1.00 21.13 N ATOM 249 CA ILE A 18 6.657 7.119 -5.016 1.00 64.12 C ATOM 250 C ILE A 18 6.821 5.691 -5.525 1.00 65.03 C ATOM 251 O ILE A 18 6.641 5.420 -6.711 1.00 4.31 O ATOM 252 CB ILE A 18 5.267 7.266 -4.369 1.00 74.55 C ATOM 253 CG1 ILE A 18 4.939 8.743 -4.141 1.00 11.12 C ATOM 254 CG2 ILE A 18 5.209 6.497 -3.058 1.00 53.14 C ATOM 255 CD1 ILE A 18 5.930 9.449 -3.242 1.00 31.14 C ATOM 0 H ILE A 18 6.241 7.944 -6.898 1.00 21.13 H new ATOM 0 HA ILE A 18 7.421 7.325 -4.266 1.00 64.12 H new ATOM 0 HB ILE A 18 4.522 6.848 -5.046 1.00 74.55 H new ATOM 0 HG12 ILE A 18 4.907 9.253 -5.104 1.00 11.12 H new ATOM 0 HG13 ILE A 18 3.943 8.823 -3.704 1.00 11.12 H new ATOM 0 HG21 ILE A 18 4.221 6.611 -2.613 1.00 53.14 H new ATOM 0 HG22 ILE A 18 5.403 5.441 -3.247 1.00 53.14 H new ATOM 0 HG23 ILE A 18 5.962 6.887 -2.374 1.00 53.14 H new ATOM 0 HD11 ILE A 18 5.636 10.492 -3.124 1.00 31.14 H new ATOM 0 HD12 ILE A 18 5.946 8.964 -2.266 1.00 31.14 H new ATOM 0 HD13 ILE A 18 6.924 9.401 -3.687 1.00 31.14 H new ATOM 267 N GLU A 19 7.162 4.782 -4.617 1.00 42.34 N ATOM 268 CA GLU A 19 7.349 3.380 -4.974 1.00 13.15 C ATOM 269 C GLU A 19 7.552 2.523 -3.728 1.00 2.32 C ATOM 270 O GLU A 19 8.410 2.815 -2.894 1.00 15.31 O ATOM 271 CB GLU A 19 8.547 3.225 -5.914 1.00 4.22 C ATOM 272 CG GLU A 19 9.781 3.984 -5.456 1.00 1.32 C ATOM 273 CD GLU A 19 11.058 3.186 -5.634 1.00 73.33 C ATOM 274 OE1 GLU A 19 11.239 2.185 -4.909 1.00 33.20 O ATOM 275 OE2 GLU A 19 11.875 3.561 -6.501 1.00 4.55 O ATOM 0 H GLU A 19 7.314 4.991 -3.630 1.00 42.34 H new ATOM 0 HA GLU A 19 6.449 3.039 -5.485 1.00 13.15 H new ATOM 0 HB2 GLU A 19 8.794 2.167 -6.003 1.00 4.22 H new ATOM 0 HB3 GLU A 19 8.265 3.572 -6.908 1.00 4.22 H new ATOM 0 HG2 GLU A 19 9.858 4.916 -6.017 1.00 1.32 H new ATOM 0 HG3 GLU A 19 9.668 4.252 -4.406 1.00 1.32 H new ATOM 282 N ASP A 20 6.758 1.466 -3.608 1.00 21.33 N ATOM 283 CA ASP A 20 6.849 0.566 -2.465 1.00 44.44 C ATOM 284 C ASP A 20 6.114 -0.741 -2.741 1.00 73.13 C ATOM 285 O ASP A 20 5.219 -1.133 -1.992 1.00 24.53 O ATOM 286 CB ASP A 20 6.274 1.234 -1.214 1.00 71.22 C ATOM 287 CG ASP A 20 6.927 0.737 0.061 1.00 30.51 C ATOM 288 OD1 ASP A 20 8.130 0.406 0.021 1.00 33.53 O ATOM 289 OD2 ASP A 20 6.233 0.678 1.098 1.00 40.31 O ATOM 0 H ASP A 20 6.043 1.211 -4.289 1.00 21.33 H new ATOM 0 HA ASP A 20 7.902 0.341 -2.296 1.00 44.44 H new ATOM 0 HB2 ASP A 20 6.406 2.313 -1.289 1.00 71.22 H new ATOM 0 HB3 ASP A 20 5.201 1.046 -1.166 1.00 71.22 H new ATOM 294 N SER A 21 6.497 -1.412 -3.823 1.00 72.42 N ATOM 295 CA SER A 21 5.871 -2.674 -4.202 1.00 22.35 C ATOM 296 C SER A 21 6.731 -3.858 -3.773 1.00 53.42 C ATOM 297 O SER A 21 7.706 -3.697 -3.039 1.00 63.04 O ATOM 298 CB SER A 21 5.639 -2.718 -5.713 1.00 71.54 C ATOM 299 OG SER A 21 4.454 -3.430 -6.027 1.00 14.02 O ATOM 0 H SER A 21 7.238 -1.103 -4.453 1.00 72.42 H new ATOM 0 HA SER A 21 4.910 -2.742 -3.692 1.00 22.35 H new ATOM 0 HB2 SER A 21 5.571 -1.703 -6.103 1.00 71.54 H new ATOM 0 HB3 SER A 21 6.491 -3.191 -6.201 1.00 71.54 H new ATOM 0 HG SER A 21 4.327 -3.442 -6.999 1.00 14.02 H new ATOM 305 N TYR A 22 6.364 -5.047 -4.238 1.00 62.53 N ATOM 306 CA TYR A 22 7.099 -6.260 -3.901 1.00 32.05 C ATOM 307 C TYR A 22 7.120 -6.484 -2.392 1.00 23.23 C ATOM 308 O TYR A 22 6.555 -5.700 -1.630 1.00 43.22 O ATOM 309 CB TYR A 22 8.530 -6.178 -4.435 1.00 41.44 C ATOM 310 CG TYR A 22 8.863 -7.254 -5.443 1.00 13.21 C ATOM 311 CD1 TYR A 22 8.599 -7.073 -6.795 1.00 60.32 C ATOM 312 CD2 TYR A 22 9.443 -8.452 -5.044 1.00 61.41 C ATOM 313 CE1 TYR A 22 8.900 -8.054 -7.720 1.00 3.00 C ATOM 314 CE2 TYR A 22 9.749 -9.438 -5.962 1.00 50.43 C ATOM 315 CZ TYR A 22 9.475 -9.234 -7.299 1.00 50.41 C ATOM 316 OH TYR A 22 9.779 -10.213 -8.217 1.00 71.44 O ATOM 0 H TYR A 22 5.562 -5.197 -4.850 1.00 62.53 H new ATOM 0 HA TYR A 22 6.591 -7.104 -4.368 1.00 32.05 H new ATOM 0 HB2 TYR A 22 8.682 -5.202 -4.895 1.00 41.44 H new ATOM 0 HB3 TYR A 22 9.225 -6.248 -3.599 1.00 41.44 H new ATOM 0 HD1 TYR A 22 8.150 -6.149 -7.129 1.00 60.32 H new ATOM 0 HD2 TYR A 22 9.658 -8.615 -3.998 1.00 61.41 H new ATOM 0 HE1 TYR A 22 8.686 -7.897 -8.767 1.00 3.00 H new ATOM 0 HE2 TYR A 22 10.200 -10.363 -5.635 1.00 50.43 H new ATOM 0 HH TYR A 22 10.180 -10.980 -7.757 1.00 71.44 H new ATOM 326 N SER A 23 7.776 -7.560 -1.969 1.00 30.42 N ATOM 327 CA SER A 23 7.868 -7.890 -0.552 1.00 65.10 C ATOM 328 C SER A 23 8.731 -9.130 -0.338 1.00 42.01 C ATOM 329 O SER A 23 9.857 -9.041 0.153 1.00 23.02 O ATOM 330 CB SER A 23 6.472 -8.120 0.032 1.00 53.30 C ATOM 331 OG SER A 23 6.519 -9.021 1.125 1.00 52.23 O ATOM 0 H SER A 23 8.251 -8.218 -2.587 1.00 30.42 H new ATOM 0 HA SER A 23 8.335 -7.050 -0.038 1.00 65.10 H new ATOM 0 HB2 SER A 23 6.050 -7.170 0.358 1.00 53.30 H new ATOM 0 HB3 SER A 23 5.812 -8.514 -0.740 1.00 53.30 H new ATOM 0 HG SER A 23 5.615 -9.150 1.481 1.00 52.23 H new ATOM 337 N THR A 24 8.196 -10.288 -0.712 1.00 45.12 N ATOM 338 CA THR A 24 8.915 -11.547 -0.561 1.00 11.32 C ATOM 339 C THR A 24 8.206 -12.677 -1.298 1.00 14.01 C ATOM 340 O THR A 24 8.700 -13.175 -2.310 1.00 44.54 O ATOM 341 CB THR A 24 9.066 -11.933 0.923 1.00 72.20 C ATOM 342 OG1 THR A 24 8.225 -11.104 1.733 1.00 30.41 O ATOM 343 CG2 THR A 24 10.512 -11.791 1.374 1.00 31.11 C ATOM 0 H THR A 24 7.267 -10.380 -1.122 1.00 45.12 H new ATOM 0 HA THR A 24 9.905 -11.399 -0.993 1.00 11.32 H new ATOM 0 HB THR A 24 8.767 -12.975 1.037 1.00 72.20 H new ATOM 0 HG1 THR A 24 8.326 -11.357 2.675 1.00 30.41 H new ATOM 0 HG21 THR A 24 10.594 -12.069 2.425 1.00 31.11 H new ATOM 0 HG22 THR A 24 11.146 -12.445 0.775 1.00 31.11 H new ATOM 0 HG23 THR A 24 10.833 -10.757 1.246 1.00 31.11 H new ATOM 351 N GLU A 25 7.046 -13.076 -0.786 1.00 32.15 N ATOM 352 CA GLU A 25 6.270 -14.147 -1.398 1.00 51.24 C ATOM 353 C GLU A 25 4.883 -13.655 -1.800 1.00 24.02 C ATOM 354 O GLU A 25 4.129 -14.365 -2.463 1.00 63.51 O ATOM 355 CB GLU A 25 6.143 -15.330 -0.434 1.00 12.11 C ATOM 356 CG GLU A 25 7.400 -15.587 0.382 1.00 63.52 C ATOM 357 CD GLU A 25 7.243 -16.750 1.342 1.00 53.15 C ATOM 358 OE1 GLU A 25 6.158 -16.876 1.950 1.00 14.15 O ATOM 359 OE2 GLU A 25 8.204 -17.534 1.486 1.00 71.52 O ATOM 0 H GLU A 25 6.624 -12.674 0.051 1.00 32.15 H new ATOM 0 HA GLU A 25 6.795 -14.472 -2.296 1.00 51.24 H new ATOM 0 HB2 GLU A 25 5.310 -15.147 0.245 1.00 12.11 H new ATOM 0 HB3 GLU A 25 5.899 -16.227 -1.003 1.00 12.11 H new ATOM 0 HG2 GLU A 25 8.232 -15.787 -0.293 1.00 63.52 H new ATOM 0 HG3 GLU A 25 7.654 -14.688 0.944 1.00 63.52 H new ATOM 366 N SER A 26 4.555 -12.433 -1.393 1.00 24.10 N ATOM 367 CA SER A 26 3.258 -11.845 -1.707 1.00 43.13 C ATOM 368 C SER A 26 3.301 -10.326 -1.565 1.00 60.31 C ATOM 369 O SER A 26 3.902 -9.795 -0.632 1.00 42.12 O ATOM 370 CB SER A 26 2.178 -12.423 -0.790 1.00 64.14 C ATOM 371 OG SER A 26 2.224 -13.839 -0.778 1.00 44.14 O ATOM 0 H SER A 26 5.169 -11.831 -0.845 1.00 24.10 H new ATOM 0 HA SER A 26 3.017 -12.089 -2.741 1.00 43.13 H new ATOM 0 HB2 SER A 26 2.315 -12.043 0.222 1.00 64.14 H new ATOM 0 HB3 SER A 26 1.196 -12.091 -1.125 1.00 64.14 H new ATOM 0 HG SER A 26 2.669 -14.159 -1.590 1.00 44.14 H new ATOM 377 N ALA A 27 2.659 -9.633 -2.500 1.00 73.45 N ATOM 378 CA ALA A 27 2.622 -8.177 -2.481 1.00 5.12 C ATOM 379 C ALA A 27 1.194 -7.662 -2.634 1.00 31.22 C ATOM 380 O ALA A 27 0.306 -8.390 -3.076 1.00 52.31 O ATOM 381 CB ALA A 27 3.510 -7.610 -3.578 1.00 55.32 C ATOM 0 H ALA A 27 2.157 -10.057 -3.280 1.00 73.45 H new ATOM 0 HA ALA A 27 3.000 -7.842 -1.515 1.00 5.12 H new ATOM 0 HB1 ALA A 27 3.472 -6.521 -3.551 1.00 55.32 H new ATOM 0 HB2 ALA A 27 4.537 -7.941 -3.422 1.00 55.32 H new ATOM 0 HB3 ALA A 27 3.159 -7.961 -4.548 1.00 55.32 H new ATOM 387 N TRP A 28 0.982 -6.404 -2.267 1.00 22.22 N ATOM 388 CA TRP A 28 -0.339 -5.792 -2.364 1.00 30.23 C ATOM 389 C TRP A 28 -0.460 -4.957 -3.634 1.00 71.41 C ATOM 390 O TRP A 28 0.416 -4.151 -3.945 1.00 12.45 O ATOM 391 CB TRP A 28 -0.611 -4.920 -1.138 1.00 11.51 C ATOM 392 CG TRP A 28 -1.240 -5.670 -0.003 1.00 43.00 C ATOM 393 CD1 TRP A 28 -0.700 -5.892 1.232 1.00 2.21 C ATOM 394 CD2 TRP A 28 -2.527 -6.298 0.000 1.00 2.42 C ATOM 395 NE1 TRP A 28 -1.573 -6.621 2.002 1.00 64.01 N ATOM 396 CE2 TRP A 28 -2.701 -6.882 1.271 1.00 22.23 C ATOM 397 CE3 TRP A 28 -3.548 -6.423 -0.945 1.00 12.52 C ATOM 398 CZ2 TRP A 28 -3.856 -7.579 1.616 1.00 70.23 C ATOM 399 CZ3 TRP A 28 -4.693 -7.116 -0.600 1.00 34.24 C ATOM 400 CH2 TRP A 28 -4.840 -7.685 0.672 1.00 75.10 C ATOM 0 H TRP A 28 1.707 -5.787 -1.900 1.00 22.22 H new ATOM 0 HA TRP A 28 -1.080 -6.591 -2.405 1.00 30.23 H new ATOM 0 HB2 TRP A 28 0.327 -4.481 -0.798 1.00 11.51 H new ATOM 0 HB3 TRP A 28 -1.264 -4.095 -1.425 1.00 11.51 H new ATOM 0 HD1 TRP A 28 0.270 -5.545 1.555 1.00 2.21 H new ATOM 0 HE1 TRP A 28 -1.408 -6.920 2.963 1.00 64.01 H new ATOM 0 HE3 TRP A 28 -3.445 -5.986 -1.927 1.00 12.52 H new ATOM 0 HZ2 TRP A 28 -3.971 -8.021 2.595 1.00 70.23 H new ATOM 0 HZ3 TRP A 28 -5.488 -7.221 -1.323 1.00 34.24 H new ATOM 0 HH2 TRP A 28 -5.748 -8.218 0.912 1.00 75.10 H new ATOM 411 N VAL A 29 -1.552 -5.154 -4.366 1.00 43.45 N ATOM 412 CA VAL A 29 -1.788 -4.418 -5.602 1.00 42.24 C ATOM 413 C VAL A 29 -3.204 -3.854 -5.643 1.00 5.02 C ATOM 414 O VAL A 29 -4.147 -4.479 -5.158 1.00 31.20 O ATOM 415 CB VAL A 29 -1.567 -5.310 -6.837 1.00 53.24 C ATOM 416 CG1 VAL A 29 -2.554 -6.467 -6.845 1.00 64.43 C ATOM 417 CG2 VAL A 29 -1.683 -4.491 -8.114 1.00 3.34 C ATOM 0 H VAL A 29 -2.288 -5.818 -4.124 1.00 43.45 H new ATOM 0 HA VAL A 29 -1.072 -3.597 -5.624 1.00 42.24 H new ATOM 0 HB VAL A 29 -0.560 -5.724 -6.788 1.00 53.24 H new ATOM 0 HG11 VAL A 29 -2.382 -7.086 -7.726 1.00 64.43 H new ATOM 0 HG12 VAL A 29 -2.417 -7.068 -5.946 1.00 64.43 H new ATOM 0 HG13 VAL A 29 -3.572 -6.077 -6.869 1.00 64.43 H new ATOM 0 HG21 VAL A 29 -1.524 -5.138 -8.977 1.00 3.34 H new ATOM 0 HG22 VAL A 29 -2.676 -4.046 -8.172 1.00 3.34 H new ATOM 0 HG23 VAL A 29 -0.932 -3.701 -8.109 1.00 3.34 H new ATOM 427 N ARG A 30 -3.345 -2.668 -6.226 1.00 45.33 N ATOM 428 CA ARG A 30 -4.646 -2.018 -6.330 1.00 23.22 C ATOM 429 C ARG A 30 -5.157 -2.051 -7.768 1.00 52.34 C ATOM 430 O ARG A 30 -4.382 -1.922 -8.717 1.00 43.31 O ATOM 431 CB ARG A 30 -4.558 -0.571 -5.842 1.00 11.40 C ATOM 432 CG ARG A 30 -5.910 0.111 -5.710 1.00 64.21 C ATOM 433 CD ARG A 30 -5.869 1.536 -6.239 1.00 2.22 C ATOM 434 NE ARG A 30 -5.685 1.578 -7.687 1.00 3.33 N ATOM 435 CZ ARG A 30 -5.412 2.689 -8.362 1.00 25.12 C ATOM 436 NH1 ARG A 30 -5.292 3.844 -7.722 1.00 22.13 N ATOM 437 NH2 ARG A 30 -5.259 2.646 -9.679 1.00 1.44 N ATOM 0 H ARG A 30 -2.575 -2.138 -6.633 1.00 45.33 H new ATOM 0 HA ARG A 30 -5.348 -2.564 -5.700 1.00 23.22 H new ATOM 0 HB2 ARG A 30 -4.055 -0.553 -4.875 1.00 11.40 H new ATOM 0 HB3 ARG A 30 -3.939 -0.000 -6.534 1.00 11.40 H new ATOM 0 HG2 ARG A 30 -6.661 -0.459 -6.256 1.00 64.21 H new ATOM 0 HG3 ARG A 30 -6.214 0.119 -4.663 1.00 64.21 H new ATOM 0 HD2 ARG A 30 -6.795 2.047 -5.977 1.00 2.22 H new ATOM 0 HD3 ARG A 30 -5.057 2.079 -5.755 1.00 2.22 H new ATOM 0 HE ARG A 30 -5.771 0.706 -8.209 1.00 3.33 H new ATOM 0 HH11 ARG A 30 -5.409 3.881 -6.709 1.00 22.13 H new ATOM 0 HH12 ARG A 30 -5.082 4.696 -8.242 1.00 22.13 H new ATOM 0 HH21 ARG A 30 -5.351 1.759 -10.174 1.00 1.44 H new ATOM 0 HH22 ARG A 30 -5.049 3.500 -10.196 1.00 1.44 H new ATOM 451 N CYS A 31 -6.465 -2.226 -7.922 1.00 13.45 N ATOM 452 CA CYS A 31 -7.080 -2.276 -9.243 1.00 50.12 C ATOM 453 C CYS A 31 -7.206 -0.877 -9.839 1.00 44.51 C ATOM 454 O CYS A 31 -7.489 0.088 -9.128 1.00 74.15 O ATOM 455 CB CYS A 31 -8.459 -2.935 -9.162 1.00 3.44 C ATOM 456 SG CYS A 31 -9.257 -3.190 -10.779 1.00 23.20 S ATOM 0 H CYS A 31 -7.120 -2.336 -7.148 1.00 13.45 H new ATOM 0 HA CYS A 31 -6.438 -2.871 -9.893 1.00 50.12 H new ATOM 0 HB2 CYS A 31 -8.361 -3.898 -8.661 1.00 3.44 H new ATOM 0 HB3 CYS A 31 -9.109 -2.318 -8.541 1.00 3.44 H new ATOM 461 N ASP A 32 -6.993 -0.776 -11.147 1.00 43.51 N ATOM 462 CA ASP A 32 -7.084 0.504 -11.839 1.00 42.31 C ATOM 463 C ASP A 32 -8.435 0.652 -12.531 1.00 24.13 C ATOM 464 O ASP A 32 -8.542 1.295 -13.576 1.00 52.42 O ATOM 465 CB ASP A 32 -5.955 0.636 -12.862 1.00 72.13 C ATOM 466 CG ASP A 32 -5.369 2.034 -12.901 1.00 51.54 C ATOM 467 OD1 ASP A 32 -6.046 2.975 -12.437 1.00 70.43 O ATOM 468 OD2 ASP A 32 -4.233 2.186 -13.395 1.00 44.41 O ATOM 0 H ASP A 32 -6.756 -1.565 -11.749 1.00 43.51 H new ATOM 0 HA ASP A 32 -6.987 1.298 -11.098 1.00 42.31 H new ATOM 0 HB2 ASP A 32 -5.167 -0.078 -12.623 1.00 72.13 H new ATOM 0 HB3 ASP A 32 -6.332 0.376 -13.851 1.00 72.13 H new ATOM 473 N ASP A 33 -9.465 0.054 -11.942 1.00 35.11 N ATOM 474 CA ASP A 33 -10.810 0.118 -12.502 1.00 13.15 C ATOM 475 C ASP A 33 -11.848 0.307 -11.401 1.00 74.14 C ATOM 476 O ASP A 33 -12.758 1.127 -11.524 1.00 61.21 O ATOM 477 CB ASP A 33 -11.116 -1.151 -13.299 1.00 45.41 C ATOM 478 CG ASP A 33 -12.432 -1.062 -14.046 1.00 3.14 C ATOM 479 OD1 ASP A 33 -12.485 -0.348 -15.070 1.00 65.04 O ATOM 480 OD2 ASP A 33 -13.408 -1.706 -13.608 1.00 64.50 O ATOM 0 H ASP A 33 -9.394 -0.481 -11.076 1.00 35.11 H new ATOM 0 HA ASP A 33 -10.858 0.977 -13.172 1.00 13.15 H new ATOM 0 HB2 ASP A 33 -10.310 -1.334 -14.010 1.00 45.41 H new ATOM 0 HB3 ASP A 33 -11.143 -2.004 -12.621 1.00 45.41 H new ATOM 485 N CYS A 34 -11.707 -0.461 -10.325 1.00 5.04 N ATOM 486 CA CYS A 34 -12.633 -0.381 -9.201 1.00 75.12 C ATOM 487 C CYS A 34 -11.935 0.165 -7.959 1.00 73.14 C ATOM 488 O CYS A 34 -12.582 0.484 -6.961 1.00 1.23 O ATOM 489 CB CYS A 34 -13.226 -1.759 -8.904 1.00 50.14 C ATOM 490 SG CYS A 34 -11.998 -3.000 -8.380 1.00 32.12 S ATOM 0 H CYS A 34 -10.960 -1.146 -10.208 1.00 5.04 H new ATOM 0 HA CYS A 34 -13.438 0.302 -9.472 1.00 75.12 H new ATOM 0 HB2 CYS A 34 -13.980 -1.658 -8.124 1.00 50.14 H new ATOM 0 HB3 CYS A 34 -13.737 -2.123 -9.796 1.00 50.14 H new ATOM 495 N PHE A 35 -10.612 0.268 -8.027 1.00 72.34 N ATOM 496 CA PHE A 35 -9.826 0.773 -6.908 1.00 51.33 C ATOM 497 C PHE A 35 -10.043 -0.080 -5.662 1.00 41.31 C ATOM 498 O PHE A 35 -10.698 0.346 -4.710 1.00 55.15 O ATOM 499 CB PHE A 35 -10.195 2.229 -6.614 1.00 40.10 C ATOM 500 CG PHE A 35 -9.831 3.175 -7.722 1.00 54.40 C ATOM 501 CD1 PHE A 35 -10.662 3.333 -8.819 1.00 63.44 C ATOM 502 CD2 PHE A 35 -8.655 3.906 -7.667 1.00 25.14 C ATOM 503 CE1 PHE A 35 -10.331 4.202 -9.840 1.00 12.14 C ATOM 504 CE2 PHE A 35 -8.318 4.779 -8.685 1.00 44.12 C ATOM 505 CZ PHE A 35 -9.155 4.926 -9.774 1.00 25.12 C ATOM 0 H PHE A 35 -10.062 0.008 -8.846 1.00 72.34 H new ATOM 0 HA PHE A 35 -8.773 0.721 -7.183 1.00 51.33 H new ATOM 0 HB2 PHE A 35 -11.267 2.294 -6.430 1.00 40.10 H new ATOM 0 HB3 PHE A 35 -9.695 2.545 -5.699 1.00 40.10 H new ATOM 0 HD1 PHE A 35 -11.581 2.769 -8.877 1.00 63.44 H new ATOM 0 HD2 PHE A 35 -7.995 3.793 -6.820 1.00 25.14 H new ATOM 0 HE1 PHE A 35 -10.990 4.316 -10.688 1.00 12.14 H new ATOM 0 HE2 PHE A 35 -7.400 5.346 -8.629 1.00 44.12 H new ATOM 0 HZ PHE A 35 -8.891 5.605 -10.572 1.00 25.12 H new ATOM 515 N LYS A 36 -9.489 -1.288 -5.675 1.00 11.23 N ATOM 516 CA LYS A 36 -9.619 -2.203 -4.547 1.00 23.33 C ATOM 517 C LYS A 36 -8.314 -2.952 -4.301 1.00 63.12 C ATOM 518 O LYS A 36 -7.578 -3.261 -5.239 1.00 65.24 O ATOM 519 CB LYS A 36 -10.752 -3.198 -4.801 1.00 60.25 C ATOM 520 CG LYS A 36 -11.260 -3.876 -3.540 1.00 73.14 C ATOM 521 CD LYS A 36 -11.963 -2.892 -2.621 1.00 23.35 C ATOM 522 CE LYS A 36 -13.192 -2.290 -3.285 1.00 41.40 C ATOM 523 NZ LYS A 36 -14.409 -2.443 -2.440 1.00 13.14 N ATOM 0 H LYS A 36 -8.945 -1.656 -6.455 1.00 11.23 H new ATOM 0 HA LYS A 36 -9.852 -1.616 -3.659 1.00 23.33 H new ATOM 0 HB2 LYS A 36 -11.580 -2.678 -5.283 1.00 60.25 H new ATOM 0 HB3 LYS A 36 -10.405 -3.960 -5.499 1.00 60.25 H new ATOM 0 HG2 LYS A 36 -11.947 -4.678 -3.809 1.00 73.14 H new ATOM 0 HG3 LYS A 36 -10.425 -4.336 -3.011 1.00 73.14 H new ATOM 0 HD2 LYS A 36 -12.256 -3.397 -1.701 1.00 23.35 H new ATOM 0 HD3 LYS A 36 -11.272 -2.096 -2.342 1.00 23.35 H new ATOM 0 HE2 LYS A 36 -13.017 -1.232 -3.482 1.00 41.40 H new ATOM 0 HE3 LYS A 36 -13.356 -2.771 -4.249 1.00 41.40 H new ATOM 0 HZ1 LYS A 36 -15.225 -2.020 -2.927 1.00 13.14 H new ATOM 0 HZ2 LYS A 36 -14.591 -3.453 -2.273 1.00 13.14 H new ATOM 0 HZ3 LYS A 36 -14.262 -1.962 -1.530 1.00 13.14 H new ATOM 537 N TRP A 37 -8.033 -3.242 -3.036 1.00 24.11 N ATOM 538 CA TRP A 37 -6.817 -3.958 -2.667 1.00 2.25 C ATOM 539 C TRP A 37 -6.902 -5.423 -3.079 1.00 12.04 C ATOM 540 O TRP A 37 -7.960 -6.043 -2.986 1.00 70.44 O ATOM 541 CB TRP A 37 -6.576 -3.852 -1.160 1.00 55.23 C ATOM 542 CG TRP A 37 -5.735 -2.673 -0.774 1.00 14.52 C ATOM 543 CD1 TRP A 37 -6.014 -1.747 0.189 1.00 64.11 C ATOM 544 CD2 TRP A 37 -4.478 -2.294 -1.345 1.00 52.11 C ATOM 545 NE1 TRP A 37 -5.007 -0.814 0.252 1.00 63.21 N ATOM 546 CE2 TRP A 37 -4.053 -1.128 -0.678 1.00 15.41 C ATOM 547 CE3 TRP A 37 -3.669 -2.827 -2.353 1.00 51.30 C ATOM 548 CZ2 TRP A 37 -2.856 -0.488 -0.989 1.00 75.52 C ATOM 549 CZ3 TRP A 37 -2.482 -2.190 -2.660 1.00 51.22 C ATOM 550 CH2 TRP A 37 -2.084 -1.031 -1.980 1.00 13.41 C ATOM 0 H TRP A 37 -8.631 -2.992 -2.248 1.00 24.11 H new ATOM 0 HA TRP A 37 -5.981 -3.500 -3.195 1.00 2.25 H new ATOM 0 HB2 TRP A 37 -7.537 -3.786 -0.649 1.00 55.23 H new ATOM 0 HB3 TRP A 37 -6.092 -4.764 -0.812 1.00 55.23 H new ATOM 0 HD1 TRP A 37 -6.897 -1.747 0.811 1.00 64.11 H new ATOM 0 HE1 TRP A 37 -4.976 -0.017 0.888 1.00 63.21 H new ATOM 0 HE3 TRP A 37 -3.966 -3.720 -2.882 1.00 51.30 H new ATOM 0 HZ2 TRP A 37 -2.548 0.405 -0.466 1.00 75.52 H new ATOM 0 HZ3 TRP A 37 -1.850 -2.592 -3.438 1.00 51.22 H new ATOM 0 HH2 TRP A 37 -1.150 -0.557 -2.243 1.00 13.41 H new ATOM 561 N ARG A 38 -5.779 -5.970 -3.536 1.00 4.12 N ATOM 562 CA ARG A 38 -5.728 -7.363 -3.963 1.00 13.03 C ATOM 563 C ARG A 38 -4.373 -7.983 -3.634 1.00 32.42 C ATOM 564 O ARG A 38 -3.330 -7.469 -4.037 1.00 12.55 O ATOM 565 CB ARG A 38 -5.997 -7.467 -5.466 1.00 51.53 C ATOM 566 CG ARG A 38 -6.815 -8.688 -5.855 1.00 43.31 C ATOM 567 CD ARG A 38 -8.272 -8.328 -6.097 1.00 1.31 C ATOM 568 NE ARG A 38 -9.153 -9.483 -5.952 1.00 71.01 N ATOM 569 CZ ARG A 38 -10.475 -9.420 -6.071 1.00 1.53 C ATOM 570 NH1 ARG A 38 -11.064 -8.262 -6.334 1.00 32.54 N ATOM 571 NH2 ARG A 38 -11.208 -10.515 -5.925 1.00 62.21 N ATOM 0 H ARG A 38 -4.894 -5.470 -3.620 1.00 4.12 H new ATOM 0 HA ARG A 38 -6.500 -7.912 -3.423 1.00 13.03 H new ATOM 0 HB2 ARG A 38 -6.520 -6.569 -5.796 1.00 51.53 H new ATOM 0 HB3 ARG A 38 -5.045 -7.494 -5.996 1.00 51.53 H new ATOM 0 HG2 ARG A 38 -6.395 -9.137 -6.756 1.00 43.31 H new ATOM 0 HG3 ARG A 38 -6.750 -9.437 -5.066 1.00 43.31 H new ATOM 0 HD2 ARG A 38 -8.575 -7.551 -5.395 1.00 1.31 H new ATOM 0 HD3 ARG A 38 -8.381 -7.913 -7.099 1.00 1.31 H new ATOM 0 HE ARG A 38 -8.730 -10.389 -5.748 1.00 71.01 H new ATOM 0 HH11 ARG A 38 -10.502 -7.418 -6.445 1.00 32.54 H new ATOM 0 HH12 ARG A 38 -12.079 -8.215 -6.425 1.00 32.54 H new ATOM 0 HH21 ARG A 38 -10.757 -11.407 -5.721 1.00 62.21 H new ATOM 0 HH22 ARG A 38 -12.223 -10.465 -6.017 1.00 62.21 H new ATOM 585 N ARG A 39 -4.398 -9.089 -2.898 1.00 55.22 N ATOM 586 CA ARG A 39 -3.172 -9.779 -2.514 1.00 13.22 C ATOM 587 C ARG A 39 -2.723 -10.742 -3.608 1.00 53.21 C ATOM 588 O ARG A 39 -3.480 -11.620 -4.025 1.00 1.45 O ATOM 589 CB ARG A 39 -3.379 -10.539 -1.203 1.00 41.12 C ATOM 590 CG ARG A 39 -2.083 -10.895 -0.493 1.00 41.10 C ATOM 591 CD ARG A 39 -2.187 -12.235 0.218 1.00 13.44 C ATOM 592 NE ARG A 39 -1.345 -12.289 1.410 1.00 62.10 N ATOM 593 CZ ARG A 39 -1.329 -13.315 2.253 1.00 55.31 C ATOM 594 NH1 ARG A 39 -2.104 -14.369 2.034 1.00 45.11 N ATOM 595 NH2 ARG A 39 -0.536 -13.290 3.316 1.00 54.01 N ATOM 0 H ARG A 39 -5.253 -9.527 -2.556 1.00 55.22 H new ATOM 0 HA ARG A 39 -2.393 -9.030 -2.373 1.00 13.22 H new ATOM 0 HB2 ARG A 39 -3.994 -9.935 -0.536 1.00 41.12 H new ATOM 0 HB3 ARG A 39 -3.934 -11.454 -1.408 1.00 41.12 H new ATOM 0 HG2 ARG A 39 -1.268 -10.928 -1.216 1.00 41.10 H new ATOM 0 HG3 ARG A 39 -1.837 -10.117 0.229 1.00 41.10 H new ATOM 0 HD2 ARG A 39 -3.224 -12.417 0.499 1.00 13.44 H new ATOM 0 HD3 ARG A 39 -1.897 -13.032 -0.467 1.00 13.44 H new ATOM 0 HE ARG A 39 -0.736 -11.495 1.606 1.00 62.10 H new ATOM 0 HH11 ARG A 39 -2.714 -14.393 1.217 1.00 45.11 H new ATOM 0 HH12 ARG A 39 -2.090 -15.156 2.683 1.00 45.11 H new ATOM 0 HH21 ARG A 39 0.063 -12.482 3.487 1.00 54.01 H new ATOM 0 HH22 ARG A 39 -0.525 -14.079 3.963 1.00 54.01 H new ATOM 609 N ILE A 40 -1.488 -10.572 -4.070 1.00 20.21 N ATOM 610 CA ILE A 40 -0.939 -11.427 -5.115 1.00 25.11 C ATOM 611 C ILE A 40 0.415 -11.994 -4.706 1.00 42.01 C ATOM 612 O ILE A 40 1.146 -11.409 -3.906 1.00 31.24 O ATOM 613 CB ILE A 40 -0.783 -10.663 -6.443 1.00 31.45 C ATOM 614 CG1 ILE A 40 0.398 -9.692 -6.362 1.00 71.41 C ATOM 615 CG2 ILE A 40 -2.066 -9.917 -6.779 1.00 30.53 C ATOM 616 CD1 ILE A 40 0.540 -8.810 -7.582 1.00 61.51 C ATOM 0 H ILE A 40 -0.849 -9.850 -3.737 1.00 20.21 H new ATOM 0 HA ILE A 40 -1.645 -12.245 -5.257 1.00 25.11 H new ATOM 0 HB ILE A 40 -0.585 -11.382 -7.238 1.00 31.45 H new ATOM 0 HG12 ILE A 40 0.280 -9.062 -5.480 1.00 71.41 H new ATOM 0 HG13 ILE A 40 1.317 -10.262 -6.226 1.00 71.41 H new ATOM 0 HG21 ILE A 40 -1.940 -9.382 -7.720 1.00 30.53 H new ATOM 0 HG22 ILE A 40 -2.887 -10.628 -6.873 1.00 30.53 H new ATOM 0 HG23 ILE A 40 -2.292 -9.206 -5.985 1.00 30.53 H new ATOM 0 HD11 ILE A 40 1.397 -8.148 -7.455 1.00 61.51 H new ATOM 0 HD12 ILE A 40 0.690 -9.432 -8.465 1.00 61.51 H new ATOM 0 HD13 ILE A 40 -0.364 -8.214 -7.707 1.00 61.51 H new ATOM 628 N PRO A 41 0.761 -13.163 -5.267 1.00 42.21 N ATOM 629 CA PRO A 41 2.031 -13.835 -4.977 1.00 44.40 C ATOM 630 C PRO A 41 3.227 -13.090 -5.558 1.00 35.53 C ATOM 631 O PRO A 41 3.095 -12.348 -6.531 1.00 25.12 O ATOM 632 CB PRO A 41 1.872 -15.200 -5.651 1.00 3.21 C ATOM 633 CG PRO A 41 0.880 -14.972 -6.739 1.00 15.14 C ATOM 634 CD PRO A 41 -0.061 -13.917 -6.227 1.00 73.22 C ATOM 0 HA PRO A 41 2.226 -13.893 -3.906 1.00 44.40 H new ATOM 0 HB2 PRO A 41 2.821 -15.558 -6.049 1.00 3.21 H new ATOM 0 HB3 PRO A 41 1.519 -15.952 -4.945 1.00 3.21 H new ATOM 0 HG2 PRO A 41 1.373 -14.644 -7.654 1.00 15.14 H new ATOM 0 HG3 PRO A 41 0.344 -15.891 -6.977 1.00 15.14 H new ATOM 0 HD2 PRO A 41 -0.425 -13.279 -7.032 1.00 73.22 H new ATOM 0 HD3 PRO A 41 -0.936 -14.357 -5.748 1.00 73.22 H new ATOM 642 N ALA A 42 4.395 -13.293 -4.956 1.00 33.41 N ATOM 643 CA ALA A 42 5.614 -12.642 -5.417 1.00 12.52 C ATOM 644 C ALA A 42 6.019 -13.146 -6.797 1.00 75.55 C ATOM 645 O ALA A 42 6.881 -12.563 -7.455 1.00 74.30 O ATOM 646 CB ALA A 42 6.741 -12.867 -4.420 1.00 10.44 C ATOM 0 H ALA A 42 4.522 -13.903 -4.148 1.00 33.41 H new ATOM 0 HA ALA A 42 5.418 -11.573 -5.494 1.00 12.52 H new ATOM 0 HB1 ALA A 42 7.646 -12.375 -4.777 1.00 10.44 H new ATOM 0 HB2 ALA A 42 6.459 -12.451 -3.453 1.00 10.44 H new ATOM 0 HB3 ALA A 42 6.926 -13.936 -4.315 1.00 10.44 H new ATOM 652 N SER A 43 5.392 -14.236 -7.232 1.00 3.15 N ATOM 653 CA SER A 43 5.690 -14.822 -8.533 1.00 41.31 C ATOM 654 C SER A 43 5.036 -14.020 -9.654 1.00 42.43 C ATOM 655 O SER A 43 5.608 -13.855 -10.731 1.00 2.22 O ATOM 656 CB SER A 43 5.211 -16.275 -8.583 1.00 1.24 C ATOM 657 OG SER A 43 6.304 -17.168 -8.702 1.00 54.20 O ATOM 0 H SER A 43 4.675 -14.730 -6.702 1.00 3.15 H new ATOM 0 HA SER A 43 6.770 -14.797 -8.676 1.00 41.31 H new ATOM 0 HB2 SER A 43 4.645 -16.506 -7.680 1.00 1.24 H new ATOM 0 HB3 SER A 43 4.534 -16.409 -9.427 1.00 1.24 H new ATOM 0 HG SER A 43 5.972 -18.090 -8.730 1.00 54.20 H new ATOM 663 N VAL A 44 3.832 -13.522 -9.391 1.00 71.15 N ATOM 664 CA VAL A 44 3.098 -12.736 -10.376 1.00 11.32 C ATOM 665 C VAL A 44 3.379 -11.247 -10.209 1.00 63.54 C ATOM 666 O VAL A 44 3.350 -10.487 -11.177 1.00 21.42 O ATOM 667 CB VAL A 44 1.580 -12.977 -10.269 1.00 3.41 C ATOM 668 CG1 VAL A 44 1.024 -12.327 -9.010 1.00 74.41 C ATOM 669 CG2 VAL A 44 0.869 -12.453 -11.507 1.00 50.31 C ATOM 0 H VAL A 44 3.344 -13.649 -8.504 1.00 71.15 H new ATOM 0 HA VAL A 44 3.440 -13.060 -11.359 1.00 11.32 H new ATOM 0 HB VAL A 44 1.404 -14.051 -10.204 1.00 3.41 H new ATOM 0 HG11 VAL A 44 -0.049 -12.507 -8.951 1.00 74.41 H new ATOM 0 HG12 VAL A 44 1.512 -12.754 -8.134 1.00 74.41 H new ATOM 0 HG13 VAL A 44 1.210 -11.254 -9.042 1.00 74.41 H new ATOM 0 HG21 VAL A 44 -0.202 -12.632 -11.414 1.00 50.31 H new ATOM 0 HG22 VAL A 44 1.051 -11.383 -11.606 1.00 50.31 H new ATOM 0 HG23 VAL A 44 1.248 -12.968 -12.390 1.00 50.31 H new ATOM 679 N VAL A 45 3.651 -10.837 -8.975 1.00 24.14 N ATOM 680 CA VAL A 45 3.939 -9.437 -8.680 1.00 72.34 C ATOM 681 C VAL A 45 5.096 -8.924 -9.530 1.00 33.21 C ATOM 682 O VAL A 45 5.205 -7.726 -9.790 1.00 53.12 O ATOM 683 CB VAL A 45 4.280 -9.236 -7.192 1.00 63.12 C ATOM 684 CG1 VAL A 45 5.756 -9.505 -6.941 1.00 63.05 C ATOM 685 CG2 VAL A 45 3.902 -7.831 -6.744 1.00 75.21 C ATOM 0 H VAL A 45 3.678 -11.453 -8.163 1.00 24.14 H new ATOM 0 HA VAL A 45 3.038 -8.871 -8.918 1.00 72.34 H new ATOM 0 HB VAL A 45 3.701 -9.949 -6.605 1.00 63.12 H new ATOM 0 HG11 VAL A 45 5.978 -9.358 -5.884 1.00 63.05 H new ATOM 0 HG12 VAL A 45 5.992 -10.531 -7.222 1.00 63.05 H new ATOM 0 HG13 VAL A 45 6.357 -8.819 -7.537 1.00 63.05 H new ATOM 0 HG21 VAL A 45 4.150 -7.706 -5.690 1.00 75.21 H new ATOM 0 HG22 VAL A 45 4.453 -7.100 -7.335 1.00 75.21 H new ATOM 0 HG23 VAL A 45 2.832 -7.680 -6.885 1.00 75.21 H new ATOM 695 N GLY A 46 5.958 -9.840 -9.960 1.00 74.20 N ATOM 696 CA GLY A 46 7.097 -9.460 -10.777 1.00 45.21 C ATOM 697 C GLY A 46 6.870 -9.735 -12.250 1.00 15.33 C ATOM 698 O GLY A 46 7.823 -9.857 -13.020 1.00 1.03 O ATOM 0 H GLY A 46 5.889 -10.837 -9.758 1.00 74.20 H new ATOM 0 HA2 GLY A 46 7.304 -8.399 -10.636 1.00 45.21 H new ATOM 0 HA3 GLY A 46 7.979 -10.004 -10.441 1.00 45.21 H new ATOM 702 N SER A 47 5.605 -9.834 -12.645 1.00 70.32 N ATOM 703 CA SER A 47 5.256 -10.101 -14.035 1.00 22.11 C ATOM 704 C SER A 47 4.135 -9.177 -14.501 1.00 33.12 C ATOM 705 O SER A 47 4.157 -8.676 -15.627 1.00 64.12 O ATOM 706 CB SER A 47 4.832 -11.561 -14.205 1.00 71.11 C ATOM 707 OG SER A 47 5.911 -12.355 -14.670 1.00 62.50 O ATOM 0 H SER A 47 4.804 -9.733 -12.021 1.00 70.32 H new ATOM 0 HA SER A 47 6.138 -9.912 -14.648 1.00 22.11 H new ATOM 0 HB2 SER A 47 4.473 -11.952 -13.253 1.00 71.11 H new ATOM 0 HB3 SER A 47 4.002 -11.622 -14.909 1.00 71.11 H new ATOM 0 HG SER A 47 5.615 -13.284 -14.769 1.00 62.50 H new ATOM 713 N ILE A 48 3.157 -8.956 -13.630 1.00 44.52 N ATOM 714 CA ILE A 48 2.029 -8.092 -13.951 1.00 24.23 C ATOM 715 C ILE A 48 2.478 -6.645 -14.132 1.00 44.34 C ATOM 716 O ILE A 48 1.783 -5.842 -14.754 1.00 70.43 O ATOM 717 CB ILE A 48 0.946 -8.149 -12.856 1.00 12.44 C ATOM 718 CG1 ILE A 48 1.528 -7.707 -11.511 1.00 61.33 C ATOM 719 CG2 ILE A 48 0.369 -9.553 -12.754 1.00 12.23 C ATOM 720 CD1 ILE A 48 1.301 -6.242 -11.207 1.00 55.45 C ATOM 0 H ILE A 48 3.123 -9.364 -12.696 1.00 44.52 H new ATOM 0 HA ILE A 48 1.607 -8.459 -14.887 1.00 24.23 H new ATOM 0 HB ILE A 48 0.141 -7.466 -13.125 1.00 12.44 H new ATOM 0 HG12 ILE A 48 1.084 -8.308 -10.717 1.00 61.33 H new ATOM 0 HG13 ILE A 48 2.599 -7.910 -11.503 1.00 61.33 H new ATOM 0 HG21 ILE A 48 -0.394 -9.577 -11.976 1.00 12.23 H new ATOM 0 HG22 ILE A 48 -0.076 -9.834 -13.709 1.00 12.23 H new ATOM 0 HG23 ILE A 48 1.164 -10.256 -12.504 1.00 12.23 H new ATOM 0 HD11 ILE A 48 1.740 -5.999 -10.239 1.00 55.45 H new ATOM 0 HD12 ILE A 48 1.769 -5.633 -11.981 1.00 55.45 H new ATOM 0 HD13 ILE A 48 0.231 -6.037 -11.182 1.00 55.45 H new ATOM 732 N ASP A 49 3.644 -6.321 -13.584 1.00 63.21 N ATOM 733 CA ASP A 49 4.188 -4.973 -13.688 1.00 5.54 C ATOM 734 C ASP A 49 4.790 -4.733 -15.068 1.00 71.22 C ATOM 735 O ASP A 49 5.983 -4.463 -15.197 1.00 30.23 O ATOM 736 CB ASP A 49 5.248 -4.743 -12.609 1.00 44.22 C ATOM 737 CG ASP A 49 4.641 -4.384 -11.267 1.00 50.30 C ATOM 738 OD1 ASP A 49 3.700 -3.562 -11.242 1.00 33.32 O ATOM 739 OD2 ASP A 49 5.105 -4.925 -10.242 1.00 11.31 O ATOM 0 H ASP A 49 4.230 -6.974 -13.063 1.00 63.21 H new ATOM 0 HA ASP A 49 3.371 -4.267 -13.541 1.00 5.54 H new ATOM 0 HB2 ASP A 49 5.854 -5.643 -12.501 1.00 44.22 H new ATOM 0 HB3 ASP A 49 5.918 -3.944 -12.927 1.00 44.22 H new ATOM 744 N GLU A 50 3.954 -4.836 -16.098 1.00 53.41 N ATOM 745 CA GLU A 50 4.406 -4.632 -17.469 1.00 74.11 C ATOM 746 C GLU A 50 4.682 -3.156 -17.738 1.00 53.24 C ATOM 747 O GLU A 50 5.584 -2.811 -18.503 1.00 45.35 O ATOM 748 CB GLU A 50 3.360 -5.154 -18.457 1.00 53.11 C ATOM 749 CG GLU A 50 2.081 -4.334 -18.479 1.00 12.14 C ATOM 750 CD GLU A 50 0.877 -5.142 -18.918 1.00 31.42 C ATOM 751 OE1 GLU A 50 0.557 -6.144 -18.243 1.00 20.53 O ATOM 752 OE2 GLU A 50 0.254 -4.775 -19.936 1.00 60.51 O ATOM 0 H GLU A 50 2.963 -5.059 -16.008 1.00 53.41 H new ATOM 0 HA GLU A 50 5.334 -5.188 -17.604 1.00 74.11 H new ATOM 0 HB2 GLU A 50 3.792 -5.165 -19.458 1.00 53.11 H new ATOM 0 HB3 GLU A 50 3.116 -6.186 -18.203 1.00 53.11 H new ATOM 0 HG2 GLU A 50 1.898 -3.927 -17.484 1.00 12.14 H new ATOM 0 HG3 GLU A 50 2.209 -3.486 -19.152 1.00 12.14 H new ATOM 759 N SER A 51 3.901 -2.289 -17.103 1.00 61.31 N ATOM 760 CA SER A 51 4.057 -0.849 -17.276 1.00 33.13 C ATOM 761 C SER A 51 3.986 -0.130 -15.933 1.00 25.20 C ATOM 762 O SER A 51 5.002 0.312 -15.397 1.00 52.22 O ATOM 763 CB SER A 51 2.979 -0.306 -18.217 1.00 42.54 C ATOM 764 OG SER A 51 3.512 -0.041 -19.503 1.00 61.32 O ATOM 0 H SER A 51 3.153 -2.558 -16.464 1.00 61.31 H new ATOM 0 HA SER A 51 5.037 -0.665 -17.715 1.00 33.13 H new ATOM 0 HB2 SER A 51 2.166 -1.027 -18.298 1.00 42.54 H new ATOM 0 HB3 SER A 51 2.554 0.607 -17.800 1.00 42.54 H new ATOM 0 HG SER A 51 2.804 0.303 -20.086 1.00 61.32 H new ATOM 770 N SER A 52 2.776 -0.016 -15.394 1.00 21.03 N ATOM 771 CA SER A 52 2.568 0.654 -14.115 1.00 52.43 C ATOM 772 C SER A 52 1.093 0.641 -13.729 1.00 24.34 C ATOM 773 O SER A 52 0.539 1.662 -13.315 1.00 53.34 O ATOM 774 CB SER A 52 3.078 2.095 -14.181 1.00 12.42 C ATOM 775 OG SER A 52 2.767 2.689 -15.428 1.00 35.12 O ATOM 0 H SER A 52 1.925 -0.379 -15.823 1.00 21.03 H new ATOM 0 HA SER A 52 3.129 0.113 -13.353 1.00 52.43 H new ATOM 0 HB2 SER A 52 2.633 2.679 -13.375 1.00 12.42 H new ATOM 0 HB3 SER A 52 4.157 2.110 -14.027 1.00 12.42 H new ATOM 0 HG SER A 52 3.102 3.610 -15.444 1.00 35.12 H new ATOM 781 N ARG A 53 0.461 -0.520 -13.865 1.00 33.32 N ATOM 782 CA ARG A 53 -0.951 -0.665 -13.532 1.00 35.34 C ATOM 783 C ARG A 53 -1.303 -2.130 -13.287 1.00 21.21 C ATOM 784 O ARG A 53 -0.493 -3.022 -13.535 1.00 72.35 O ATOM 785 CB ARG A 53 -1.823 -0.101 -14.656 1.00 74.14 C ATOM 786 CG ARG A 53 -1.902 -1.004 -15.876 1.00 30.05 C ATOM 787 CD ARG A 53 -1.666 -0.224 -17.161 1.00 63.02 C ATOM 788 NE ARG A 53 -2.910 0.299 -17.720 1.00 51.10 N ATOM 789 CZ ARG A 53 -3.857 -0.467 -18.249 1.00 72.02 C ATOM 790 NH1 ARG A 53 -3.705 -1.783 -18.289 1.00 41.04 N ATOM 791 NH2 ARG A 53 -4.961 0.083 -18.737 1.00 35.43 N ATOM 0 H ARG A 53 0.904 -1.374 -14.203 1.00 33.32 H new ATOM 0 HA ARG A 53 -1.143 -0.104 -12.617 1.00 35.34 H new ATOM 0 HB2 ARG A 53 -2.830 0.068 -14.274 1.00 74.14 H new ATOM 0 HB3 ARG A 53 -1.429 0.870 -14.958 1.00 74.14 H new ATOM 0 HG2 ARG A 53 -1.162 -1.799 -15.790 1.00 30.05 H new ATOM 0 HG3 ARG A 53 -2.881 -1.482 -15.914 1.00 30.05 H new ATOM 0 HD2 ARG A 53 -0.982 0.601 -16.964 1.00 63.02 H new ATOM 0 HD3 ARG A 53 -1.183 -0.870 -17.894 1.00 63.02 H new ATOM 0 HE ARG A 53 -3.059 1.308 -17.703 1.00 51.10 H new ATOM 0 HH11 ARG A 53 -2.859 -2.210 -17.913 1.00 41.04 H new ATOM 0 HH12 ARG A 53 -4.434 -2.368 -18.696 1.00 41.04 H new ATOM 0 HH21 ARG A 53 -5.083 1.095 -18.706 1.00 35.43 H new ATOM 0 HH22 ARG A 53 -5.688 -0.506 -19.143 1.00 35.43 H new ATOM 805 N TRP A 54 -2.515 -2.366 -12.798 1.00 45.33 N ATOM 806 CA TRP A 54 -2.974 -3.723 -12.518 1.00 11.54 C ATOM 807 C TRP A 54 -4.479 -3.749 -12.280 1.00 4.21 C ATOM 808 O TRP A 54 -5.044 -2.815 -11.709 1.00 13.24 O ATOM 809 CB TRP A 54 -2.243 -4.289 -11.300 1.00 50.52 C ATOM 810 CG TRP A 54 -2.712 -5.658 -10.909 1.00 40.20 C ATOM 811 CD1 TRP A 54 -2.103 -6.846 -11.195 1.00 45.35 C ATOM 812 CD2 TRP A 54 -3.891 -5.979 -10.162 1.00 34.12 C ATOM 813 NE1 TRP A 54 -2.832 -7.886 -10.671 1.00 40.10 N ATOM 814 CE2 TRP A 54 -3.934 -7.381 -10.032 1.00 12.42 C ATOM 815 CE3 TRP A 54 -4.914 -5.218 -9.589 1.00 35.14 C ATOM 816 CZ2 TRP A 54 -4.958 -8.034 -9.354 1.00 64.22 C ATOM 817 CZ3 TRP A 54 -5.931 -5.868 -8.917 1.00 51.22 C ATOM 818 CH2 TRP A 54 -5.947 -7.265 -8.803 1.00 21.42 C ATOM 0 H TRP A 54 -3.197 -1.637 -12.587 1.00 45.33 H new ATOM 0 HA TRP A 54 -2.751 -4.342 -13.387 1.00 11.54 H new ATOM 0 HB2 TRP A 54 -1.174 -4.325 -11.511 1.00 50.52 H new ATOM 0 HB3 TRP A 54 -2.378 -3.612 -10.457 1.00 50.52 H new ATOM 0 HD1 TRP A 54 -1.183 -6.953 -11.751 1.00 45.35 H new ATOM 0 HE1 TRP A 54 -2.592 -8.874 -10.746 1.00 40.10 H new ATOM 0 HE3 TRP A 54 -4.909 -4.141 -9.670 1.00 35.14 H new ATOM 0 HZ2 TRP A 54 -4.972 -9.110 -9.265 1.00 64.22 H new ATOM 0 HZ3 TRP A 54 -6.727 -5.290 -8.472 1.00 51.22 H new ATOM 0 HH2 TRP A 54 -6.755 -7.744 -8.270 1.00 21.42 H new ATOM 829 N ILE A 55 -5.124 -4.824 -12.720 1.00 61.23 N ATOM 830 CA ILE A 55 -6.565 -4.972 -12.553 1.00 41.53 C ATOM 831 C ILE A 55 -6.917 -6.353 -12.009 1.00 32.25 C ATOM 832 O ILE A 55 -6.077 -7.252 -11.979 1.00 51.44 O ATOM 833 CB ILE A 55 -7.311 -4.750 -13.881 1.00 21.51 C ATOM 834 CG1 ILE A 55 -6.583 -5.459 -15.025 1.00 63.41 C ATOM 835 CG2 ILE A 55 -7.445 -3.263 -14.172 1.00 12.23 C ATOM 836 CD1 ILE A 55 -7.206 -5.213 -16.382 1.00 54.21 C ATOM 0 H ILE A 55 -4.672 -5.605 -13.195 1.00 61.23 H new ATOM 0 HA ILE A 55 -6.879 -4.212 -11.838 1.00 41.53 H new ATOM 0 HB ILE A 55 -8.311 -5.174 -13.794 1.00 21.51 H new ATOM 0 HG12 ILE A 55 -5.545 -5.127 -15.045 1.00 63.41 H new ATOM 0 HG13 ILE A 55 -6.571 -6.531 -14.828 1.00 63.41 H new ATOM 0 HG21 ILE A 55 -7.975 -3.123 -15.114 1.00 12.23 H new ATOM 0 HG22 ILE A 55 -8.003 -2.784 -13.367 1.00 12.23 H new ATOM 0 HG23 ILE A 55 -6.454 -2.815 -14.243 1.00 12.23 H new ATOM 0 HD11 ILE A 55 -6.638 -5.746 -17.145 1.00 54.21 H new ATOM 0 HD12 ILE A 55 -8.236 -5.571 -16.380 1.00 54.21 H new ATOM 0 HD13 ILE A 55 -7.193 -4.145 -16.600 1.00 54.21 H new ATOM 848 N CYS A 56 -8.165 -6.514 -11.583 1.00 53.33 N ATOM 849 CA CYS A 56 -8.631 -7.786 -11.042 1.00 13.12 C ATOM 850 C CYS A 56 -8.474 -8.903 -12.069 1.00 60.23 C ATOM 851 O CYS A 56 -7.906 -9.955 -11.775 1.00 32.43 O ATOM 852 CB CYS A 56 -10.094 -7.675 -10.611 1.00 42.11 C ATOM 853 SG CYS A 56 -10.413 -6.360 -9.391 1.00 34.21 S ATOM 0 H CYS A 56 -8.872 -5.779 -11.602 1.00 53.33 H new ATOM 0 HA CYS A 56 -8.021 -8.028 -10.172 1.00 13.12 H new ATOM 0 HB2 CYS A 56 -10.709 -7.494 -11.493 1.00 42.11 H new ATOM 0 HB3 CYS A 56 -10.411 -8.630 -10.191 1.00 42.11 H new ATOM 858 N MET A 57 -8.983 -8.667 -13.275 1.00 42.23 N ATOM 859 CA MET A 57 -8.899 -9.654 -14.345 1.00 34.41 C ATOM 860 C MET A 57 -7.445 -10.001 -14.651 1.00 31.52 C ATOM 861 O MET A 57 -7.156 -11.049 -15.227 1.00 14.24 O ATOM 862 CB MET A 57 -9.586 -9.128 -15.607 1.00 32.14 C ATOM 863 CG MET A 57 -9.060 -7.778 -16.068 1.00 70.23 C ATOM 864 SD MET A 57 -10.382 -6.614 -16.454 1.00 33.23 S ATOM 865 CE MET A 57 -10.890 -6.119 -14.809 1.00 53.42 C ATOM 0 H MET A 57 -9.457 -7.802 -13.535 1.00 42.23 H new ATOM 0 HA MET A 57 -9.408 -10.559 -14.013 1.00 34.41 H new ATOM 0 HB2 MET A 57 -9.456 -9.853 -16.410 1.00 32.14 H new ATOM 0 HB3 MET A 57 -10.657 -9.047 -15.421 1.00 32.14 H new ATOM 0 HG2 MET A 57 -8.424 -7.355 -15.290 1.00 70.23 H new ATOM 0 HG3 MET A 57 -8.435 -7.918 -16.950 1.00 70.23 H new ATOM 0 HE1 MET A 57 -11.284 -5.103 -14.840 1.00 53.42 H new ATOM 0 HE2 MET A 57 -11.663 -6.797 -14.447 1.00 53.42 H new ATOM 0 HE3 MET A 57 -10.032 -6.155 -14.137 1.00 53.42 H new ATOM 875 N ASN A 58 -6.535 -9.114 -14.262 1.00 31.44 N ATOM 876 CA ASN A 58 -5.112 -9.327 -14.496 1.00 15.04 C ATOM 877 C ASN A 58 -4.502 -10.193 -13.398 1.00 64.53 C ATOM 878 O ASN A 58 -3.359 -10.632 -13.502 1.00 51.41 O ATOM 879 CB ASN A 58 -4.379 -7.986 -14.569 1.00 42.44 C ATOM 880 CG ASN A 58 -4.224 -7.487 -15.993 1.00 61.24 C ATOM 881 OD1 ASN A 58 -3.156 -7.016 -16.385 1.00 65.13 O ATOM 882 ND2 ASN A 58 -5.293 -7.588 -16.774 1.00 62.21 N ATOM 0 H ASN A 58 -6.758 -8.241 -13.783 1.00 31.44 H new ATOM 0 HA ASN A 58 -5.001 -9.847 -15.447 1.00 15.04 H new ATOM 0 HB2 ASN A 58 -4.925 -7.245 -13.985 1.00 42.44 H new ATOM 0 HB3 ASN A 58 -3.394 -8.089 -14.114 1.00 42.44 H new ATOM 0 HD21 ASN A 58 -5.250 -7.268 -17.742 1.00 62.21 H new ATOM 0 HD22 ASN A 58 -6.158 -7.985 -16.406 1.00 62.21 H new ATOM 889 N ASN A 59 -5.278 -10.436 -12.346 1.00 24.10 N ATOM 890 CA ASN A 59 -4.816 -11.249 -11.227 1.00 72.43 C ATOM 891 C ASN A 59 -4.406 -12.641 -11.700 1.00 62.43 C ATOM 892 O ASN A 59 -4.980 -13.182 -12.645 1.00 25.31 O ATOM 893 CB ASN A 59 -5.912 -11.362 -10.165 1.00 13.20 C ATOM 894 CG ASN A 59 -5.374 -11.835 -8.828 1.00 12.41 C ATOM 895 OD1 ASN A 59 -4.162 -11.937 -8.635 1.00 71.11 O ATOM 896 ND2 ASN A 59 -6.275 -12.127 -7.898 1.00 3.34 N ATOM 0 H ASN A 59 -6.229 -10.082 -12.245 1.00 24.10 H new ATOM 0 HA ASN A 59 -3.945 -10.761 -10.790 1.00 72.43 H new ATOM 0 HB2 ASN A 59 -6.392 -10.392 -10.038 1.00 13.20 H new ATOM 0 HB3 ASN A 59 -6.679 -12.055 -10.511 1.00 13.20 H new ATOM 0 HD21 ASN A 59 -5.973 -12.451 -6.979 1.00 3.34 H new ATOM 0 HD22 ASN A 59 -7.269 -12.028 -8.102 1.00 3.34 H new ATOM 903 N SER A 60 -3.409 -13.216 -11.036 1.00 4.54 N ATOM 904 CA SER A 60 -2.919 -14.542 -11.389 1.00 42.25 C ATOM 905 C SER A 60 -3.958 -15.611 -11.062 1.00 33.23 C ATOM 906 O SER A 60 -3.993 -16.671 -11.686 1.00 15.40 O ATOM 907 CB SER A 60 -1.614 -14.842 -10.649 1.00 32.23 C ATOM 908 OG SER A 60 -0.707 -15.546 -11.479 1.00 55.35 O ATOM 0 H SER A 60 -2.924 -12.783 -10.250 1.00 4.54 H new ATOM 0 HA SER A 60 -2.732 -14.557 -12.463 1.00 42.25 H new ATOM 0 HB2 SER A 60 -1.158 -13.909 -10.316 1.00 32.23 H new ATOM 0 HB3 SER A 60 -1.826 -15.430 -9.756 1.00 32.23 H new ATOM 0 HG SER A 60 0.119 -15.724 -10.983 1.00 55.35 H new ATOM 914 N ASP A 61 -4.804 -15.322 -10.079 1.00 45.23 N ATOM 915 CA ASP A 61 -5.846 -16.256 -9.668 1.00 12.13 C ATOM 916 C ASP A 61 -6.915 -16.386 -10.749 1.00 43.21 C ATOM 917 O ASP A 61 -6.745 -15.902 -11.868 1.00 43.23 O ATOM 918 CB ASP A 61 -6.483 -15.798 -8.355 1.00 21.22 C ATOM 919 CG ASP A 61 -6.698 -16.943 -7.385 1.00 31.15 C ATOM 920 OD1 ASP A 61 -5.709 -17.390 -6.767 1.00 52.34 O ATOM 921 OD2 ASP A 61 -7.854 -17.389 -7.243 1.00 73.24 O ATOM 0 H ASP A 61 -4.789 -14.449 -9.552 1.00 45.23 H new ATOM 0 HA ASP A 61 -5.386 -17.233 -9.517 1.00 12.13 H new ATOM 0 HB2 ASP A 61 -5.847 -15.046 -7.889 1.00 21.22 H new ATOM 0 HB3 ASP A 61 -7.440 -15.320 -8.566 1.00 21.22 H new ATOM 926 N LYS A 62 -8.018 -17.044 -10.405 1.00 15.41 N ATOM 927 CA LYS A 62 -9.116 -17.239 -11.345 1.00 5.43 C ATOM 928 C LYS A 62 -10.447 -16.842 -10.715 1.00 41.25 C ATOM 929 O LYS A 62 -11.205 -16.058 -11.286 1.00 63.22 O ATOM 930 CB LYS A 62 -9.170 -18.699 -11.801 1.00 60.41 C ATOM 931 CG LYS A 62 -7.810 -19.278 -12.150 1.00 62.34 C ATOM 932 CD LYS A 62 -7.192 -20.001 -10.965 1.00 62.23 C ATOM 933 CE LYS A 62 -7.958 -21.270 -10.625 1.00 50.34 C ATOM 934 NZ LYS A 62 -7.044 -22.391 -10.268 1.00 10.22 N ATOM 0 H LYS A 62 -8.175 -17.451 -9.483 1.00 15.41 H new ATOM 0 HA LYS A 62 -8.939 -16.601 -12.211 1.00 5.43 H new ATOM 0 HB2 LYS A 62 -9.620 -19.301 -11.012 1.00 60.41 H new ATOM 0 HB3 LYS A 62 -9.822 -18.775 -12.671 1.00 60.41 H new ATOM 0 HG2 LYS A 62 -7.911 -19.969 -12.987 1.00 62.34 H new ATOM 0 HG3 LYS A 62 -7.146 -18.478 -12.476 1.00 62.34 H new ATOM 0 HD2 LYS A 62 -6.155 -20.250 -11.190 1.00 62.23 H new ATOM 0 HD3 LYS A 62 -7.180 -19.339 -10.099 1.00 62.23 H new ATOM 0 HE2 LYS A 62 -8.634 -21.074 -9.793 1.00 50.34 H new ATOM 0 HE3 LYS A 62 -8.575 -21.561 -11.475 1.00 50.34 H new ATOM 0 HZ1 LYS A 62 -7.604 -23.238 -10.043 1.00 10.22 H new ATOM 0 HZ2 LYS A 62 -6.415 -22.595 -11.071 1.00 10.22 H new ATOM 0 HZ3 LYS A 62 -6.473 -22.124 -9.441 1.00 10.22 H new ATOM 948 N ARG A 63 -10.724 -17.387 -9.535 1.00 20.42 N ATOM 949 CA ARG A 63 -11.964 -17.089 -8.828 1.00 60.41 C ATOM 950 C ARG A 63 -11.954 -15.661 -8.291 1.00 22.02 C ATOM 951 O ARG A 63 -13.006 -15.078 -8.029 1.00 42.41 O ATOM 952 CB ARG A 63 -12.170 -18.077 -7.677 1.00 12.05 C ATOM 953 CG ARG A 63 -13.198 -19.155 -7.977 1.00 21.41 C ATOM 954 CD ARG A 63 -12.577 -20.323 -8.727 1.00 50.33 C ATOM 955 NE ARG A 63 -13.135 -20.471 -10.069 1.00 13.54 N ATOM 956 CZ ARG A 63 -14.335 -20.984 -10.314 1.00 41.34 C ATOM 957 NH1 ARG A 63 -15.100 -21.397 -9.313 1.00 2.42 N ATOM 958 NH2 ARG A 63 -14.772 -21.085 -11.562 1.00 75.13 N ATOM 0 H ARG A 63 -10.107 -18.037 -9.048 1.00 20.42 H new ATOM 0 HA ARG A 63 -12.788 -17.187 -9.534 1.00 60.41 H new ATOM 0 HB2 ARG A 63 -11.217 -18.551 -7.441 1.00 12.05 H new ATOM 0 HB3 ARG A 63 -12.481 -17.527 -6.789 1.00 12.05 H new ATOM 0 HG2 ARG A 63 -13.636 -19.511 -7.045 1.00 21.41 H new ATOM 0 HG3 ARG A 63 -14.009 -18.731 -8.569 1.00 21.41 H new ATOM 0 HD2 ARG A 63 -11.499 -20.177 -8.797 1.00 50.33 H new ATOM 0 HD3 ARG A 63 -12.738 -21.242 -8.164 1.00 50.33 H new ATOM 0 HE ARG A 63 -12.572 -20.163 -10.862 1.00 13.54 H new ATOM 0 HH11 ARG A 63 -14.767 -21.321 -8.352 1.00 2.42 H new ATOM 0 HH12 ARG A 63 -16.021 -21.791 -9.504 1.00 2.42 H new ATOM 0 HH21 ARG A 63 -14.186 -20.769 -12.335 1.00 75.13 H new ATOM 0 HH22 ARG A 63 -15.694 -21.479 -11.749 1.00 75.13 H new ATOM 972 N PHE A 64 -10.758 -15.103 -8.130 1.00 21.43 N ATOM 973 CA PHE A 64 -10.611 -13.744 -7.624 1.00 23.03 C ATOM 974 C PHE A 64 -9.930 -12.849 -8.655 1.00 52.13 C ATOM 975 O PHE A 64 -9.344 -11.823 -8.312 1.00 13.31 O ATOM 976 CB PHE A 64 -9.806 -13.746 -6.322 1.00 54.02 C ATOM 977 CG PHE A 64 -10.604 -14.173 -5.123 1.00 33.40 C ATOM 978 CD1 PHE A 64 -11.184 -15.430 -5.073 1.00 64.24 C ATOM 979 CD2 PHE A 64 -10.775 -13.317 -4.048 1.00 23.14 C ATOM 980 CE1 PHE A 64 -11.920 -15.826 -3.971 1.00 51.12 C ATOM 981 CE2 PHE A 64 -11.509 -13.707 -2.944 1.00 45.31 C ATOM 982 CZ PHE A 64 -12.083 -14.962 -2.906 1.00 73.12 C ATOM 0 H PHE A 64 -9.877 -15.571 -8.343 1.00 21.43 H new ATOM 0 HA PHE A 64 -11.607 -13.347 -7.427 1.00 23.03 H new ATOM 0 HB2 PHE A 64 -8.950 -14.412 -6.435 1.00 54.02 H new ATOM 0 HB3 PHE A 64 -9.411 -12.745 -6.147 1.00 54.02 H new ATOM 0 HD1 PHE A 64 -11.060 -16.109 -5.904 1.00 64.24 H new ATOM 0 HD2 PHE A 64 -10.330 -12.333 -4.073 1.00 23.14 H new ATOM 0 HE1 PHE A 64 -12.366 -16.809 -3.943 1.00 51.12 H new ATOM 0 HE2 PHE A 64 -11.634 -13.030 -2.111 1.00 45.31 H new ATOM 0 HZ PHE A 64 -12.659 -15.268 -2.045 1.00 73.12 H new ATOM 992 N ALA A 65 -10.012 -13.248 -9.920 1.00 0.53 N ATOM 993 CA ALA A 65 -9.404 -12.483 -11.003 1.00 24.12 C ATOM 994 C ALA A 65 -10.468 -11.827 -11.875 1.00 25.22 C ATOM 995 O ALA A 65 -10.653 -12.202 -13.034 1.00 65.11 O ATOM 996 CB ALA A 65 -8.508 -13.378 -11.844 1.00 43.24 C ATOM 0 H ALA A 65 -10.493 -14.096 -10.220 1.00 0.53 H new ATOM 0 HA ALA A 65 -8.796 -11.694 -10.560 1.00 24.12 H new ATOM 0 HB1 ALA A 65 -8.061 -12.793 -12.648 1.00 43.24 H new ATOM 0 HB2 ALA A 65 -7.720 -13.795 -11.218 1.00 43.24 H new ATOM 0 HB3 ALA A 65 -9.100 -14.188 -12.270 1.00 43.24 H new ATOM 1002 N ASP A 66 -11.167 -10.847 -11.312 1.00 23.54 N ATOM 1003 CA ASP A 66 -12.214 -10.137 -12.040 1.00 51.44 C ATOM 1004 C ASP A 66 -12.818 -9.031 -11.182 1.00 23.41 C ATOM 1005 O ASP A 66 -12.987 -9.191 -9.973 1.00 23.53 O ATOM 1006 CB ASP A 66 -13.306 -11.112 -12.482 1.00 63.23 C ATOM 1007 CG ASP A 66 -13.195 -11.482 -13.948 1.00 2.34 C ATOM 1008 OD1 ASP A 66 -13.031 -10.565 -14.781 1.00 2.21 O ATOM 1009 OD2 ASP A 66 -13.271 -12.688 -14.263 1.00 23.22 O ATOM 0 H ASP A 66 -11.028 -10.526 -10.354 1.00 23.54 H new ATOM 0 HA ASP A 66 -11.765 -9.682 -12.923 1.00 51.44 H new ATOM 0 HB2 ASP A 66 -13.248 -12.017 -11.877 1.00 63.23 H new ATOM 0 HB3 ASP A 66 -14.283 -10.667 -12.296 1.00 63.23 H new ATOM 1014 N CYS A 67 -13.141 -7.907 -11.815 1.00 51.34 N ATOM 1015 CA CYS A 67 -13.725 -6.773 -11.110 1.00 51.23 C ATOM 1016 C CYS A 67 -15.085 -7.139 -10.525 1.00 24.41 C ATOM 1017 O CYS A 67 -15.537 -6.532 -9.553 1.00 61.34 O ATOM 1018 CB CYS A 67 -13.867 -5.578 -12.055 1.00 61.15 C ATOM 1019 SG CYS A 67 -12.505 -4.374 -11.941 1.00 35.53 S ATOM 0 H CYS A 67 -13.008 -7.758 -12.815 1.00 51.34 H new ATOM 0 HA CYS A 67 -13.059 -6.502 -10.291 1.00 51.23 H new ATOM 0 HB2 CYS A 67 -13.929 -5.944 -13.080 1.00 61.15 H new ATOM 0 HB3 CYS A 67 -14.807 -5.069 -11.841 1.00 61.15 H new ATOM 1024 N SER A 68 -15.733 -8.133 -11.123 1.00 24.22 N ATOM 1025 CA SER A 68 -17.043 -8.577 -10.664 1.00 25.41 C ATOM 1026 C SER A 68 -16.962 -9.137 -9.247 1.00 22.21 C ATOM 1027 O SER A 68 -17.910 -9.031 -8.470 1.00 43.25 O ATOM 1028 CB SER A 68 -17.608 -9.638 -11.612 1.00 34.04 C ATOM 1029 OG SER A 68 -18.576 -10.441 -10.961 1.00 0.00 O ATOM 0 H SER A 68 -15.372 -8.646 -11.927 1.00 24.22 H new ATOM 0 HA SER A 68 -17.709 -7.714 -10.658 1.00 25.41 H new ATOM 0 HB2 SER A 68 -18.057 -9.153 -12.479 1.00 34.04 H new ATOM 0 HB3 SER A 68 -16.799 -10.267 -11.982 1.00 34.04 H new ATOM 0 HG SER A 68 -18.922 -11.109 -11.589 1.00 0.00 H new ATOM 1035 N LYS A 69 -15.821 -9.734 -8.919 1.00 64.33 N ATOM 1036 CA LYS A 69 -15.612 -10.311 -7.596 1.00 61.10 C ATOM 1037 C LYS A 69 -15.450 -9.217 -6.545 1.00 1.32 C ATOM 1038 O LYS A 69 -15.157 -8.067 -6.872 1.00 50.03 O ATOM 1039 CB LYS A 69 -14.378 -11.216 -7.601 1.00 4.35 C ATOM 1040 CG LYS A 69 -14.310 -12.145 -8.800 1.00 61.12 C ATOM 1041 CD LYS A 69 -15.530 -13.047 -8.877 1.00 41.04 C ATOM 1042 CE LYS A 69 -16.537 -12.538 -9.895 1.00 31.33 C ATOM 1043 NZ LYS A 69 -17.272 -13.652 -10.556 1.00 50.20 N ATOM 0 H LYS A 69 -15.027 -9.831 -9.551 1.00 64.33 H new ATOM 0 HA LYS A 69 -16.490 -10.906 -7.343 1.00 61.10 H new ATOM 0 HB2 LYS A 69 -13.482 -10.595 -7.582 1.00 4.35 H new ATOM 0 HB3 LYS A 69 -14.372 -11.813 -6.689 1.00 4.35 H new ATOM 0 HG2 LYS A 69 -14.234 -11.556 -9.714 1.00 61.12 H new ATOM 0 HG3 LYS A 69 -13.409 -12.755 -8.738 1.00 61.12 H new ATOM 0 HD2 LYS A 69 -15.220 -14.057 -9.144 1.00 41.04 H new ATOM 0 HD3 LYS A 69 -16.002 -13.107 -7.896 1.00 41.04 H new ATOM 0 HE2 LYS A 69 -17.249 -11.876 -9.402 1.00 31.33 H new ATOM 0 HE3 LYS A 69 -16.021 -11.945 -10.650 1.00 31.33 H new ATOM 0 HZ1 LYS A 69 -17.949 -13.262 -11.243 1.00 50.20 H new ATOM 0 HZ2 LYS A 69 -16.596 -14.270 -11.049 1.00 50.20 H new ATOM 0 HZ3 LYS A 69 -17.785 -14.203 -9.839 1.00 50.20 H new ATOM 1057 N SER A 70 -15.641 -9.583 -5.282 1.00 73.13 N ATOM 1058 CA SER A 70 -15.518 -8.633 -4.183 1.00 34.13 C ATOM 1059 C SER A 70 -14.101 -8.637 -3.617 1.00 1.23 C ATOM 1060 O SER A 70 -13.281 -9.481 -3.977 1.00 61.23 O ATOM 1061 CB SER A 70 -16.522 -8.965 -3.078 1.00 42.23 C ATOM 1062 OG SER A 70 -16.864 -10.341 -3.096 1.00 33.15 O ATOM 0 H SER A 70 -15.882 -10.531 -4.994 1.00 73.13 H new ATOM 0 HA SER A 70 -15.733 -7.637 -4.571 1.00 34.13 H new ATOM 0 HB2 SER A 70 -16.099 -8.705 -2.108 1.00 42.23 H new ATOM 0 HB3 SER A 70 -17.421 -8.362 -3.206 1.00 42.23 H new ATOM 0 HG SER A 70 -17.506 -10.528 -2.379 1.00 33.15 H new ATOM 1068 N GLN A 71 -13.822 -7.688 -2.730 1.00 24.24 N ATOM 1069 CA GLN A 71 -12.505 -7.581 -2.114 1.00 74.32 C ATOM 1070 C GLN A 71 -12.110 -8.892 -1.442 1.00 43.11 C ATOM 1071 O GLN A 71 -12.958 -9.743 -1.177 1.00 71.21 O ATOM 1072 CB GLN A 71 -12.487 -6.444 -1.091 1.00 13.00 C ATOM 1073 CG GLN A 71 -11.089 -6.055 -0.638 1.00 41.41 C ATOM 1074 CD GLN A 71 -11.064 -4.740 0.115 1.00 64.03 C ATOM 1075 OE1 GLN A 71 -12.110 -4.174 0.434 1.00 31.43 O ATOM 1076 NE2 GLN A 71 -9.866 -4.246 0.405 1.00 71.30 N ATOM 0 H GLN A 71 -14.490 -6.982 -2.422 1.00 24.24 H new ATOM 0 HA GLN A 71 -11.781 -7.364 -2.900 1.00 74.32 H new ATOM 0 HB2 GLN A 71 -12.976 -5.571 -1.522 1.00 13.00 H new ATOM 0 HB3 GLN A 71 -13.073 -6.740 -0.221 1.00 13.00 H new ATOM 0 HG2 GLN A 71 -10.686 -6.842 -0.001 1.00 41.41 H new ATOM 0 HG3 GLN A 71 -10.436 -5.984 -1.508 1.00 41.41 H new ATOM 0 HE21 GLN A 71 -9.025 -4.748 0.121 1.00 71.30 H new ATOM 0 HE22 GLN A 71 -9.787 -3.364 0.911 1.00 71.30 H new ATOM 1085 N GLU A 72 -10.819 -9.045 -1.169 1.00 42.34 N ATOM 1086 CA GLU A 72 -10.312 -10.254 -0.528 1.00 63.43 C ATOM 1087 C GLU A 72 -10.260 -10.085 0.987 1.00 42.22 C ATOM 1088 O GLU A 72 -10.599 -11.001 1.737 1.00 14.14 O ATOM 1089 CB GLU A 72 -8.921 -10.597 -1.063 1.00 75.55 C ATOM 1090 CG GLU A 72 -8.813 -10.514 -2.577 1.00 2.43 C ATOM 1091 CD GLU A 72 -8.044 -11.678 -3.171 1.00 61.21 C ATOM 1092 OE1 GLU A 72 -8.191 -12.808 -2.662 1.00 65.05 O ATOM 1093 OE2 GLU A 72 -7.295 -11.458 -4.146 1.00 15.44 O ATOM 0 H GLU A 72 -10.105 -8.348 -1.381 1.00 42.34 H new ATOM 0 HA GLU A 72 -10.994 -11.072 -0.762 1.00 63.43 H new ATOM 0 HB2 GLU A 72 -8.192 -9.919 -0.618 1.00 75.55 H new ATOM 0 HB3 GLU A 72 -8.656 -11.605 -0.743 1.00 75.55 H new ATOM 0 HG2 GLU A 72 -9.814 -10.487 -3.008 1.00 2.43 H new ATOM 0 HG3 GLU A 72 -8.322 -9.581 -2.852 1.00 2.43 H new ATOM 1100 N MET A 73 -9.831 -8.907 1.431 1.00 62.42 N ATOM 1101 CA MET A 73 -9.735 -8.617 2.857 1.00 32.12 C ATOM 1102 C MET A 73 -10.320 -7.245 3.174 1.00 62.31 C ATOM 1103 O MET A 73 -10.568 -6.443 2.273 1.00 24.21 O ATOM 1104 CB MET A 73 -8.276 -8.679 3.313 1.00 71.02 C ATOM 1105 CG MET A 73 -7.825 -10.074 3.718 1.00 1.41 C ATOM 1106 SD MET A 73 -6.627 -10.052 5.065 1.00 24.14 S ATOM 1107 CE MET A 73 -5.556 -8.714 4.544 1.00 5.12 C ATOM 0 H MET A 73 -9.545 -8.139 0.824 1.00 62.42 H new ATOM 0 HA MET A 73 -10.310 -9.370 3.395 1.00 32.12 H new ATOM 0 HB2 MET A 73 -7.636 -8.319 2.507 1.00 71.02 H new ATOM 0 HB3 MET A 73 -8.138 -8.002 4.156 1.00 71.02 H new ATOM 0 HG2 MET A 73 -8.694 -10.660 4.019 1.00 1.41 H new ATOM 0 HG3 MET A 73 -7.386 -10.575 2.855 1.00 1.41 H new ATOM 0 HE1 MET A 73 -4.578 -8.828 5.011 1.00 5.12 H new ATOM 0 HE2 MET A 73 -5.446 -8.737 3.460 1.00 5.12 H new ATOM 0 HE3 MET A 73 -5.992 -7.761 4.844 1.00 5.12 H new ATOM 1117 N SER A 74 -10.541 -6.982 4.458 1.00 51.53 N ATOM 1118 CA SER A 74 -11.101 -5.708 4.893 1.00 72.50 C ATOM 1119 C SER A 74 -10.016 -4.639 4.982 1.00 40.43 C ATOM 1120 O SER A 74 -8.833 -4.951 5.119 1.00 21.52 O ATOM 1121 CB SER A 74 -11.790 -5.867 6.249 1.00 20.24 C ATOM 1122 OG SER A 74 -11.202 -6.914 7.001 1.00 41.51 O ATOM 0 H SER A 74 -10.341 -7.635 5.216 1.00 51.53 H new ATOM 0 HA SER A 74 -11.837 -5.391 4.154 1.00 72.50 H new ATOM 0 HB2 SER A 74 -11.722 -4.933 6.806 1.00 20.24 H new ATOM 0 HB3 SER A 74 -12.850 -6.073 6.100 1.00 20.24 H new ATOM 0 HG SER A 74 -11.660 -6.994 7.864 1.00 41.51 H new ATOM 1128 N ASN A 75 -10.428 -3.379 4.905 1.00 2.03 N ATOM 1129 CA ASN A 75 -9.493 -2.263 4.977 1.00 0.53 C ATOM 1130 C ASN A 75 -8.628 -2.358 6.231 1.00 15.43 C ATOM 1131 O ASN A 75 -7.411 -2.188 6.170 1.00 12.44 O ATOM 1132 CB ASN A 75 -10.249 -0.933 4.966 1.00 65.42 C ATOM 1133 CG ASN A 75 -10.800 -0.593 3.594 1.00 2.54 C ATOM 1134 OD1 ASN A 75 -11.985 -0.299 3.444 1.00 21.31 O ATOM 1135 ND2 ASN A 75 -9.937 -0.631 2.585 1.00 4.35 N ATOM 0 H ASN A 75 -11.404 -3.105 4.793 1.00 2.03 H new ATOM 0 HA ASN A 75 -8.843 -2.310 4.103 1.00 0.53 H new ATOM 0 HB2 ASN A 75 -11.069 -0.978 5.683 1.00 65.42 H new ATOM 0 HB3 ASN A 75 -9.582 -0.136 5.294 1.00 65.42 H new ATOM 0 HD21 ASN A 75 -10.248 -0.411 1.639 1.00 4.35 H new ATOM 0 HD22 ASN A 75 -8.963 -0.880 2.756 1.00 4.35 H new ATOM 1142 N GLU A 76 -9.267 -2.631 7.364 1.00 74.01 N ATOM 1143 CA GLU A 76 -8.555 -2.749 8.632 1.00 33.41 C ATOM 1144 C GLU A 76 -7.418 -3.761 8.526 1.00 72.20 C ATOM 1145 O GLU A 76 -6.291 -3.490 8.939 1.00 24.35 O ATOM 1146 CB GLU A 76 -9.519 -3.161 9.746 1.00 42.01 C ATOM 1147 CG GLU A 76 -10.343 -4.394 9.413 1.00 30.51 C ATOM 1148 CD GLU A 76 -11.446 -4.648 10.421 1.00 50.04 C ATOM 1149 OE1 GLU A 76 -11.175 -5.313 11.443 1.00 11.14 O ATOM 1150 OE2 GLU A 76 -12.581 -4.182 10.188 1.00 24.01 O ATOM 0 H GLU A 76 -10.275 -2.774 7.430 1.00 74.01 H new ATOM 0 HA GLU A 76 -8.128 -1.775 8.872 1.00 33.41 H new ATOM 0 HB2 GLU A 76 -8.950 -3.350 10.656 1.00 42.01 H new ATOM 0 HB3 GLU A 76 -10.193 -2.331 9.958 1.00 42.01 H new ATOM 0 HG2 GLU A 76 -10.782 -4.277 8.422 1.00 30.51 H new ATOM 0 HG3 GLU A 76 -9.687 -5.264 9.370 1.00 30.51 H new ATOM 1157 N GLU A 77 -7.724 -4.930 7.969 1.00 23.14 N ATOM 1158 CA GLU A 77 -6.729 -5.983 7.810 1.00 2.22 C ATOM 1159 C GLU A 77 -5.546 -5.494 6.979 1.00 21.42 C ATOM 1160 O GLU A 77 -4.397 -5.568 7.411 1.00 52.55 O ATOM 1161 CB GLU A 77 -7.356 -7.213 7.152 1.00 33.20 C ATOM 1162 CG GLU A 77 -8.407 -7.895 8.011 1.00 23.44 C ATOM 1163 CD GLU A 77 -8.928 -9.176 7.390 1.00 22.42 C ATOM 1164 OE1 GLU A 77 -9.834 -9.094 6.533 1.00 50.31 O ATOM 1165 OE2 GLU A 77 -8.430 -10.259 7.760 1.00 71.40 O ATOM 0 H GLU A 77 -8.652 -5.170 7.621 1.00 23.14 H new ATOM 0 HA GLU A 77 -6.366 -6.256 8.801 1.00 2.22 H new ATOM 0 HB2 GLU A 77 -7.809 -6.917 6.206 1.00 33.20 H new ATOM 0 HB3 GLU A 77 -6.569 -7.930 6.918 1.00 33.20 H new ATOM 0 HG2 GLU A 77 -7.982 -8.117 8.990 1.00 23.44 H new ATOM 0 HG3 GLU A 77 -9.239 -7.210 8.173 1.00 23.44 H new ATOM 1172 N ILE A 78 -5.839 -4.993 5.783 1.00 73.04 N ATOM 1173 CA ILE A 78 -4.802 -4.492 4.891 1.00 35.23 C ATOM 1174 C ILE A 78 -4.012 -3.364 5.546 1.00 15.54 C ATOM 1175 O ILE A 78 -2.804 -3.239 5.343 1.00 63.05 O ATOM 1176 CB ILE A 78 -5.397 -3.984 3.564 1.00 24.32 C ATOM 1177 CG1 ILE A 78 -6.199 -5.093 2.882 1.00 73.11 C ATOM 1178 CG2 ILE A 78 -4.293 -3.479 2.647 1.00 35.11 C ATOM 1179 CD1 ILE A 78 -7.265 -4.578 1.940 1.00 11.15 C ATOM 0 H ILE A 78 -6.786 -4.924 5.410 1.00 73.04 H new ATOM 0 HA ILE A 78 -4.134 -5.328 4.683 1.00 35.23 H new ATOM 0 HB ILE A 78 -6.071 -3.155 3.779 1.00 24.32 H new ATOM 0 HG12 ILE A 78 -5.515 -5.736 2.327 1.00 73.11 H new ATOM 0 HG13 ILE A 78 -6.669 -5.712 3.646 1.00 73.11 H new ATOM 0 HG21 ILE A 78 -4.729 -3.124 1.714 1.00 35.11 H new ATOM 0 HG22 ILE A 78 -3.761 -2.661 3.134 1.00 35.11 H new ATOM 0 HG23 ILE A 78 -3.596 -4.290 2.436 1.00 35.11 H new ATOM 0 HD11 ILE A 78 -7.793 -5.420 1.493 1.00 11.15 H new ATOM 0 HD12 ILE A 78 -7.971 -3.959 2.493 1.00 11.15 H new ATOM 0 HD13 ILE A 78 -6.800 -3.983 1.154 1.00 11.15 H new ATOM 1191 N ASN A 79 -4.702 -2.545 6.332 1.00 4.43 N ATOM 1192 CA ASN A 79 -4.065 -1.427 7.019 1.00 14.04 C ATOM 1193 C ASN A 79 -3.027 -1.924 8.020 1.00 4.14 C ATOM 1194 O ASN A 79 -1.909 -1.412 8.076 1.00 74.22 O ATOM 1195 CB ASN A 79 -5.115 -0.576 7.736 1.00 34.13 C ATOM 1196 CG ASN A 79 -4.788 -0.367 9.201 1.00 2.14 C ATOM 1197 OD1 ASN A 79 -3.822 0.316 9.542 1.00 3.02 O ATOM 1198 ND2 ASN A 79 -5.593 -0.957 10.077 1.00 51.02 N ATOM 0 H ASN A 79 -5.702 -2.634 6.509 1.00 4.43 H new ATOM 0 HA ASN A 79 -3.560 -0.815 6.272 1.00 14.04 H new ATOM 0 HB2 ASN A 79 -5.192 0.393 7.242 1.00 34.13 H new ATOM 0 HB3 ASN A 79 -6.089 -1.057 7.649 1.00 34.13 H new ATOM 0 HD21 ASN A 79 -5.422 -0.853 11.077 1.00 51.02 H new ATOM 0 HD22 ASN A 79 -6.382 -1.514 9.750 1.00 51.02 H new ATOM 1205 N GLU A 80 -3.405 -2.924 8.810 1.00 71.42 N ATOM 1206 CA GLU A 80 -2.507 -3.489 9.809 1.00 42.14 C ATOM 1207 C GLU A 80 -1.408 -4.317 9.147 1.00 12.23 C ATOM 1208 O GLU A 80 -0.316 -4.466 9.694 1.00 20.10 O ATOM 1209 CB GLU A 80 -3.288 -4.358 10.797 1.00 31.41 C ATOM 1210 CG GLU A 80 -3.324 -5.830 10.418 1.00 1.12 C ATOM 1211 CD GLU A 80 -2.138 -6.601 10.963 1.00 61.23 C ATOM 1212 OE1 GLU A 80 -1.916 -6.558 12.192 1.00 74.11 O ATOM 1213 OE2 GLU A 80 -1.433 -7.248 10.162 1.00 55.02 O ATOM 0 H GLU A 80 -4.327 -3.359 8.777 1.00 71.42 H new ATOM 0 HA GLU A 80 -2.042 -2.664 10.349 1.00 42.14 H new ATOM 0 HB2 GLU A 80 -2.843 -4.257 11.787 1.00 31.41 H new ATOM 0 HB3 GLU A 80 -4.310 -3.985 10.867 1.00 31.41 H new ATOM 0 HG2 GLU A 80 -4.246 -6.275 10.793 1.00 1.12 H new ATOM 0 HG3 GLU A 80 -3.344 -5.921 9.332 1.00 1.12 H new ATOM 1220 N GLU A 81 -1.707 -4.850 7.967 1.00 73.14 N ATOM 1221 CA GLU A 81 -0.745 -5.663 7.232 1.00 52.22 C ATOM 1222 C GLU A 81 0.410 -4.808 6.720 1.00 33.32 C ATOM 1223 O GLU A 81 1.579 -5.114 6.961 1.00 72.23 O ATOM 1224 CB GLU A 81 -1.431 -6.369 6.060 1.00 20.11 C ATOM 1225 CG GLU A 81 -0.503 -7.274 5.268 1.00 55.14 C ATOM 1226 CD GLU A 81 0.302 -8.206 6.155 1.00 22.52 C ATOM 1227 OE1 GLU A 81 -0.314 -8.958 6.939 1.00 21.33 O ATOM 1228 OE2 GLU A 81 1.546 -8.181 6.065 1.00 55.31 O ATOM 0 H GLU A 81 -2.606 -4.734 7.500 1.00 73.14 H new ATOM 0 HA GLU A 81 -0.344 -6.413 7.914 1.00 52.22 H new ATOM 0 HB2 GLU A 81 -2.264 -6.960 6.440 1.00 20.11 H new ATOM 0 HB3 GLU A 81 -1.852 -5.619 5.391 1.00 20.11 H new ATOM 0 HG2 GLU A 81 -1.091 -7.865 4.565 1.00 55.14 H new ATOM 0 HG3 GLU A 81 0.179 -6.662 4.678 1.00 55.14 H new ATOM 1235 N LEU A 82 0.076 -3.736 6.010 1.00 62.02 N ATOM 1236 CA LEU A 82 1.084 -2.835 5.463 1.00 31.00 C ATOM 1237 C LEU A 82 1.611 -1.889 6.537 1.00 23.21 C ATOM 1238 O LEU A 82 2.761 -1.454 6.487 1.00 62.53 O ATOM 1239 CB LEU A 82 0.501 -2.030 4.300 1.00 51.14 C ATOM 1240 CG LEU A 82 -0.158 -2.844 3.185 1.00 44.30 C ATOM 1241 CD1 LEU A 82 -1.425 -2.156 2.701 1.00 70.53 C ATOM 1242 CD2 LEU A 82 0.812 -3.051 2.032 1.00 11.41 C ATOM 0 H LEU A 82 -0.886 -3.470 5.800 1.00 62.02 H new ATOM 0 HA LEU A 82 1.915 -3.439 5.098 1.00 31.00 H new ATOM 0 HB2 LEU A 82 -0.237 -1.334 4.700 1.00 51.14 H new ATOM 0 HB3 LEU A 82 1.300 -1.431 3.862 1.00 51.14 H new ATOM 0 HG LEU A 82 -0.429 -3.821 3.585 1.00 44.30 H new ATOM 0 HD11 LEU A 82 -1.881 -2.749 1.908 1.00 70.53 H new ATOM 0 HD12 LEU A 82 -2.126 -2.059 3.530 1.00 70.53 H new ATOM 0 HD13 LEU A 82 -1.178 -1.166 2.318 1.00 70.53 H new ATOM 0 HD21 LEU A 82 0.326 -3.632 1.248 1.00 11.41 H new ATOM 0 HD22 LEU A 82 1.114 -2.083 1.632 1.00 11.41 H new ATOM 0 HD23 LEU A 82 1.692 -3.587 2.388 1.00 11.41 H new ATOM 1254 N GLY A 83 0.761 -1.577 7.512 1.00 35.43 N ATOM 1255 CA GLY A 83 1.160 -0.686 8.586 1.00 33.45 C ATOM 1256 C GLY A 83 0.903 0.772 8.255 1.00 51.14 C ATOM 1257 O GLY A 83 1.637 1.654 8.702 1.00 44.25 O ATOM 0 H GLY A 83 -0.196 -1.925 7.577 1.00 35.43 H new ATOM 0 HA2 GLY A 83 0.618 -0.950 9.494 1.00 33.45 H new ATOM 0 HA3 GLY A 83 2.220 -0.826 8.796 1.00 33.45 H new ATOM 1261 N ILE A 84 -0.139 1.024 7.470 1.00 13.22 N ATOM 1262 CA ILE A 84 -0.488 2.385 7.080 1.00 43.34 C ATOM 1263 C ILE A 84 -1.717 2.874 7.839 1.00 5.43 C ATOM 1264 O ILE A 84 -2.228 2.188 8.722 1.00 63.21 O ATOM 1265 CB ILE A 84 -0.759 2.485 5.568 1.00 34.33 C ATOM 1266 CG1 ILE A 84 -1.949 1.605 5.181 1.00 62.24 C ATOM 1267 CG2 ILE A 84 0.480 2.086 4.781 1.00 34.51 C ATOM 1268 CD1 ILE A 84 -2.289 1.662 3.708 1.00 62.43 C ATOM 0 H ILE A 84 -0.756 0.305 7.092 1.00 13.22 H new ATOM 0 HA ILE A 84 0.366 3.015 7.330 1.00 43.34 H new ATOM 0 HB ILE A 84 -1.003 3.519 5.325 1.00 34.33 H new ATOM 0 HG12 ILE A 84 -1.732 0.573 5.456 1.00 62.24 H new ATOM 0 HG13 ILE A 84 -2.821 1.912 5.759 1.00 62.24 H new ATOM 0 HG21 ILE A 84 0.273 2.162 3.714 1.00 34.51 H new ATOM 0 HG22 ILE A 84 1.304 2.751 5.039 1.00 34.51 H new ATOM 0 HG23 ILE A 84 0.752 1.059 5.026 1.00 34.51 H new ATOM 0 HD11 ILE A 84 -3.142 1.014 3.506 1.00 62.43 H new ATOM 0 HD12 ILE A 84 -2.538 2.687 3.431 1.00 62.43 H new ATOM 0 HD13 ILE A 84 -1.432 1.327 3.124 1.00 62.43 H new ATOM 1280 N GLY A 85 -2.186 4.067 7.486 1.00 4.15 N ATOM 1281 CA GLY A 85 -3.352 4.629 8.142 1.00 64.42 C ATOM 1282 C GLY A 85 -4.523 4.805 7.194 1.00 44.21 C ATOM 1283 O GLY A 85 -5.001 5.920 6.991 1.00 70.25 O ATOM 0 H GLY A 85 -1.779 4.654 6.758 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -3.650 3.980 8.966 1.00 64.42 H new ATOM 0 HA3 GLY A 85 -3.091 5.595 8.575 1.00 64.42 H new ATOM 1287 N GLN A 86 -4.982 3.701 6.614 1.00 72.14 N ATOM 1288 CA GLN A 86 -6.102 3.739 5.680 1.00 42.13 C ATOM 1289 C GLN A 86 -7.292 4.474 6.288 1.00 23.24 C ATOM 1290 O GLN A 86 -7.389 4.619 7.507 1.00 71.42 O ATOM 1291 CB GLN A 86 -6.512 2.320 5.285 1.00 31.20 C ATOM 1292 CG GLN A 86 -6.251 1.996 3.823 1.00 62.41 C ATOM 1293 CD GLN A 86 -6.305 0.508 3.536 1.00 2.12 C ATOM 1294 OE1 GLN A 86 -7.325 -0.143 3.762 1.00 72.43 O ATOM 1295 NE2 GLN A 86 -5.203 -0.038 3.035 1.00 31.13 N ATOM 0 H GLN A 86 -4.597 2.770 6.774 1.00 72.14 H new ATOM 0 HA GLN A 86 -5.781 4.278 4.789 1.00 42.13 H new ATOM 0 HB2 GLN A 86 -5.971 1.608 5.908 1.00 31.20 H new ATOM 0 HB3 GLN A 86 -7.573 2.186 5.494 1.00 31.20 H new ATOM 0 HG2 GLN A 86 -6.988 2.508 3.204 1.00 62.41 H new ATOM 0 HG3 GLN A 86 -5.272 2.382 3.539 1.00 62.41 H new ATOM 0 HE21 GLN A 86 -4.380 0.540 2.863 1.00 31.13 H new ATOM 0 HE22 GLN A 86 -5.179 -1.035 2.822 1.00 31.13 H new ATOM 1304 N ASP A 87 -8.195 4.937 5.431 1.00 24.53 N ATOM 1305 CA ASP A 87 -9.380 5.658 5.883 1.00 51.52 C ATOM 1306 C ASP A 87 -10.519 4.690 6.189 1.00 25.54 C ATOM 1307 O ASP A 87 -11.635 4.856 5.696 1.00 41.34 O ATOM 1308 CB ASP A 87 -9.823 6.669 4.824 1.00 4.51 C ATOM 1309 CG ASP A 87 -10.500 7.882 5.431 1.00 62.01 C ATOM 1310 OD1 ASP A 87 -9.844 8.597 6.217 1.00 64.33 O ATOM 1311 OD2 ASP A 87 -11.687 8.117 5.120 1.00 31.14 O ATOM 0 H ASP A 87 -8.129 4.826 4.419 1.00 24.53 H new ATOM 0 HA ASP A 87 -9.124 6.192 6.798 1.00 51.52 H new ATOM 0 HB2 ASP A 87 -8.956 6.991 4.247 1.00 4.51 H new ATOM 0 HB3 ASP A 87 -10.507 6.185 4.127 1.00 4.51 H new ATOM 1316 N GLU A 88 -10.230 3.682 7.005 1.00 4.13 N ATOM 1317 CA GLU A 88 -11.231 2.688 7.375 1.00 3.15 C ATOM 1318 C GLU A 88 -12.413 3.345 8.082 1.00 43.12 C ATOM 1319 O GLU A 88 -13.563 2.950 7.888 1.00 22.12 O ATOM 1320 CB GLU A 88 -10.611 1.620 8.278 1.00 41.20 C ATOM 1321 CG GLU A 88 -9.808 2.191 9.435 1.00 4.40 C ATOM 1322 CD GLU A 88 -10.342 1.757 10.787 1.00 35.31 C ATOM 1323 OE1 GLU A 88 -10.465 0.534 11.012 1.00 13.35 O ATOM 1324 OE2 GLU A 88 -10.637 2.640 11.619 1.00 53.22 O ATOM 0 H GLU A 88 -9.312 3.532 7.422 1.00 4.13 H new ATOM 0 HA GLU A 88 -11.593 2.215 6.462 1.00 3.15 H new ATOM 0 HB2 GLU A 88 -11.405 0.987 8.675 1.00 41.20 H new ATOM 0 HB3 GLU A 88 -9.963 0.981 7.678 1.00 41.20 H new ATOM 0 HG2 GLU A 88 -8.769 1.876 9.341 1.00 4.40 H new ATOM 0 HG3 GLU A 88 -9.818 3.279 9.377 1.00 4.40 H new ATOM 1331 N ALA A 89 -12.122 4.347 8.904 1.00 43.32 N ATOM 1332 CA ALA A 89 -13.159 5.059 9.640 1.00 22.42 C ATOM 1333 C ALA A 89 -14.062 4.089 10.394 1.00 53.44 C ATOM 1334 O ALA A 89 -15.244 4.361 10.606 1.00 54.32 O ATOM 1335 CB ALA A 89 -13.983 5.919 8.693 1.00 35.03 C ATOM 0 H ALA A 89 -11.175 4.685 9.077 1.00 43.32 H new ATOM 0 HA ALA A 89 -12.672 5.705 10.370 1.00 22.42 H new ATOM 0 HB1 ALA A 89 -14.754 6.445 9.257 1.00 35.03 H new ATOM 0 HB2 ALA A 89 -13.334 6.644 8.202 1.00 35.03 H new ATOM 0 HB3 ALA A 89 -14.453 5.285 7.941 1.00 35.03 H new ATOM 1341 N ASP A 90 -13.498 2.955 10.798 1.00 11.40 N ATOM 1342 CA ASP A 90 -14.251 1.944 11.530 1.00 33.50 C ATOM 1343 C ASP A 90 -13.986 2.047 13.029 1.00 33.20 C ATOM 1344 O ASP A 90 -14.829 1.675 13.845 1.00 34.54 O ATOM 1345 CB ASP A 90 -13.886 0.545 11.029 1.00 3.42 C ATOM 1346 CG ASP A 90 -14.882 -0.508 11.477 1.00 1.13 C ATOM 1347 OD1 ASP A 90 -15.020 -0.711 12.701 1.00 31.22 O ATOM 1348 OD2 ASP A 90 -15.522 -1.128 10.602 1.00 65.44 O ATOM 0 H ASP A 90 -12.521 2.714 10.630 1.00 11.40 H new ATOM 0 HA ASP A 90 -15.313 2.119 11.355 1.00 33.50 H new ATOM 0 HB2 ASP A 90 -13.836 0.554 9.940 1.00 3.42 H new ATOM 0 HB3 ASP A 90 -12.893 0.280 11.392 1.00 3.42 H new ATOM 1353 N ALA A 91 -12.810 2.553 13.383 1.00 13.43 N ATOM 1354 CA ALA A 91 -12.434 2.706 14.782 1.00 64.01 C ATOM 1355 C ALA A 91 -12.344 1.352 15.478 1.00 21.30 C ATOM 1356 O ALA A 91 -12.334 1.273 16.707 1.00 31.04 O ATOM 1357 CB ALA A 91 -13.430 3.605 15.501 1.00 54.10 C ATOM 0 H ALA A 91 -12.101 2.864 12.719 1.00 13.43 H new ATOM 0 HA ALA A 91 -11.449 3.170 14.819 1.00 64.01 H new ATOM 0 HB1 ALA A 91 -13.137 3.711 16.545 1.00 54.10 H new ATOM 0 HB2 ALA A 91 -13.443 4.586 15.027 1.00 54.10 H new ATOM 0 HB3 ALA A 91 -14.425 3.163 15.446 1.00 54.10 H new ATOM 1363 N TYR A 92 -12.279 0.288 14.685 1.00 64.42 N ATOM 1364 CA TYR A 92 -12.194 -1.064 15.225 1.00 14.54 C ATOM 1365 C TYR A 92 -13.348 -1.342 16.183 1.00 34.42 C ATOM 1366 O TYR A 92 -14.254 -0.522 16.337 1.00 13.21 O ATOM 1367 CB TYR A 92 -10.860 -1.263 15.946 1.00 15.41 C ATOM 1368 CG TYR A 92 -10.184 -2.575 15.617 1.00 34.31 C ATOM 1369 CD1 TYR A 92 -9.932 -2.939 14.300 1.00 33.52 C ATOM 1370 CD2 TYR A 92 -9.796 -3.452 16.624 1.00 22.51 C ATOM 1371 CE1 TYR A 92 -9.317 -4.137 13.995 1.00 12.41 C ATOM 1372 CE2 TYR A 92 -9.178 -4.651 16.328 1.00 65.40 C ATOM 1373 CZ TYR A 92 -8.941 -4.989 15.012 1.00 41.54 C ATOM 1374 OH TYR A 92 -8.326 -6.183 14.712 1.00 50.21 O ATOM 0 H TYR A 92 -12.284 0.336 13.666 1.00 64.42 H new ATOM 0 HA TYR A 92 -12.260 -1.765 14.393 1.00 14.54 H new ATOM 0 HB2 TYR A 92 -10.190 -0.443 15.686 1.00 15.41 H new ATOM 0 HB3 TYR A 92 -11.026 -1.209 17.022 1.00 15.41 H new ATOM 0 HD1 TYR A 92 -10.222 -2.273 13.501 1.00 33.52 H new ATOM 0 HD2 TYR A 92 -9.981 -3.191 17.655 1.00 22.51 H new ATOM 0 HE1 TYR A 92 -9.131 -4.405 12.965 1.00 12.41 H new ATOM 0 HE2 TYR A 92 -8.882 -5.320 17.122 1.00 65.40 H new ATOM 0 HH TYR A 92 -8.125 -6.665 15.541 1.00 50.21 H new ATOM 1384 N ASP A 93 -13.309 -2.505 16.824 1.00 34.33 N ATOM 1385 CA ASP A 93 -14.349 -2.893 17.769 1.00 30.32 C ATOM 1386 C ASP A 93 -14.044 -4.255 18.384 1.00 24.40 C ATOM 1387 O ASP A 93 -13.730 -5.212 17.675 1.00 64.14 O ATOM 1388 CB ASP A 93 -15.712 -2.927 17.073 1.00 14.55 C ATOM 1389 CG ASP A 93 -16.736 -2.048 17.763 1.00 22.13 C ATOM 1390 OD1 ASP A 93 -16.505 -0.823 17.848 1.00 55.02 O ATOM 1391 OD2 ASP A 93 -17.768 -2.583 18.219 1.00 75.34 O ATOM 0 H ASP A 93 -12.568 -3.196 16.706 1.00 34.33 H new ATOM 0 HA ASP A 93 -14.375 -2.152 18.568 1.00 30.32 H new ATOM 0 HB2 ASP A 93 -15.597 -2.603 16.039 1.00 14.55 H new ATOM 0 HB3 ASP A 93 -16.078 -3.954 17.046 1.00 14.55 H new ATOM 1396 N CYS A 94 -14.139 -4.335 19.706 1.00 45.14 N ATOM 1397 CA CYS A 94 -13.872 -5.580 20.419 1.00 11.43 C ATOM 1398 C CYS A 94 -14.302 -5.473 21.879 1.00 73.32 C ATOM 1399 O CYS A 94 -14.694 -4.403 22.345 1.00 71.12 O ATOM 1400 CB CYS A 94 -12.385 -5.929 20.337 1.00 5.34 C ATOM 1401 SG CYS A 94 -11.294 -4.734 21.175 1.00 13.53 S ATOM 0 H CYS A 94 -14.399 -3.553 20.307 1.00 45.14 H new ATOM 0 HA CYS A 94 -14.451 -6.373 19.946 1.00 11.43 H new ATOM 0 HB2 CYS A 94 -12.230 -6.915 20.774 1.00 5.34 H new ATOM 0 HB3 CYS A 94 -12.096 -5.996 19.288 1.00 5.34 H new ATOM 0 HG CYS A 94 -10.057 -5.116 21.053 1.00 13.53 H new ATOM 1406 N ASP A 95 -14.225 -6.589 22.595 1.00 43.21 N ATOM 1407 CA ASP A 95 -14.604 -6.623 24.003 1.00 10.42 C ATOM 1408 C ASP A 95 -13.398 -6.351 24.897 1.00 23.43 C ATOM 1409 O ASP A 95 -13.534 -5.795 25.986 1.00 22.15 O ATOM 1410 CB ASP A 95 -15.220 -7.977 24.355 1.00 31.11 C ATOM 1411 CG ASP A 95 -16.734 -7.923 24.431 1.00 13.13 C ATOM 1412 OD1 ASP A 95 -17.384 -8.022 23.370 1.00 52.13 O ATOM 1413 OD2 ASP A 95 -17.267 -7.778 25.552 1.00 74.41 O ATOM 0 H ASP A 95 -13.903 -7.483 22.224 1.00 43.21 H new ATOM 0 HA ASP A 95 -15.344 -5.841 24.173 1.00 10.42 H new ATOM 0 HB2 ASP A 95 -14.923 -8.713 23.608 1.00 31.11 H new ATOM 0 HB3 ASP A 95 -14.823 -8.316 25.312 1.00 31.11 H new ATOM 1418 N ALA A 96 -12.220 -6.747 24.429 1.00 2.23 N ATOM 1419 CA ALA A 96 -10.990 -6.545 25.186 1.00 24.24 C ATOM 1420 C ALA A 96 -10.795 -5.073 25.532 1.00 2.42 C ATOM 1421 O ALA A 96 -10.119 -4.739 26.505 1.00 5.33 O ATOM 1422 CB ALA A 96 -9.796 -7.067 24.402 1.00 14.50 C ATOM 0 H ALA A 96 -12.090 -7.210 23.529 1.00 2.23 H new ATOM 0 HA ALA A 96 -11.070 -7.104 26.119 1.00 24.24 H new ATOM 0 HB1 ALA A 96 -8.885 -6.910 24.979 1.00 14.50 H new ATOM 0 HB2 ALA A 96 -9.924 -8.132 24.210 1.00 14.50 H new ATOM 0 HB3 ALA A 96 -9.722 -6.534 23.454 1.00 14.50 H new ATOM 1428 N ALA A 97 -11.390 -4.197 24.730 1.00 15.03 N ATOM 1429 CA ALA A 97 -11.282 -2.760 24.953 1.00 3.21 C ATOM 1430 C ALA A 97 -11.665 -2.397 26.383 1.00 24.14 C ATOM 1431 O ALA A 97 -11.171 -1.416 26.940 1.00 14.32 O ATOM 1432 CB ALA A 97 -12.155 -2.005 23.962 1.00 30.52 C ATOM 0 H ALA A 97 -11.952 -4.457 23.920 1.00 15.03 H new ATOM 0 HA ALA A 97 -10.243 -2.470 24.798 1.00 3.21 H new ATOM 0 HB1 ALA A 97 -12.065 -0.933 24.140 1.00 30.52 H new ATOM 0 HB2 ALA A 97 -11.832 -2.232 22.946 1.00 30.52 H new ATOM 0 HB3 ALA A 97 -13.195 -2.307 24.089 1.00 30.52 H new ATOM 1438 N LYS A 98 -12.551 -3.192 26.974 1.00 44.41 N ATOM 1439 CA LYS A 98 -13.001 -2.954 28.340 1.00 50.55 C ATOM 1440 C LYS A 98 -13.216 -4.272 29.079 1.00 0.15 C ATOM 1441 O LYS A 98 -13.060 -5.349 28.504 1.00 71.33 O ATOM 1442 CB LYS A 98 -14.297 -2.141 28.338 1.00 65.45 C ATOM 1443 CG LYS A 98 -15.467 -2.863 27.689 1.00 51.31 C ATOM 1444 CD LYS A 98 -15.453 -2.699 26.178 1.00 22.21 C ATOM 1445 CE LYS A 98 -16.852 -2.820 25.593 1.00 32.02 C ATOM 1446 NZ LYS A 98 -16.888 -2.427 24.157 1.00 55.24 N ATOM 0 H LYS A 98 -12.972 -4.007 26.528 1.00 44.41 H new ATOM 0 HA LYS A 98 -12.226 -2.389 28.858 1.00 50.55 H new ATOM 0 HB2 LYS A 98 -14.560 -1.890 29.366 1.00 65.45 H new ATOM 0 HB3 LYS A 98 -14.125 -1.201 27.814 1.00 65.45 H new ATOM 0 HG2 LYS A 98 -15.427 -3.923 27.942 1.00 51.31 H new ATOM 0 HG3 LYS A 98 -16.403 -2.475 28.090 1.00 51.31 H new ATOM 0 HD2 LYS A 98 -15.032 -1.727 25.920 1.00 22.21 H new ATOM 0 HD3 LYS A 98 -14.805 -3.455 25.735 1.00 22.21 H new ATOM 0 HE2 LYS A 98 -17.202 -3.847 25.697 1.00 32.02 H new ATOM 0 HE3 LYS A 98 -17.538 -2.190 26.159 1.00 32.02 H new ATOM 0 HZ1 LYS A 98 -17.858 -2.523 23.795 1.00 55.24 H new ATOM 0 HZ2 LYS A 98 -16.578 -1.439 24.060 1.00 55.24 H new ATOM 0 HZ3 LYS A 98 -16.253 -3.044 23.612 1.00 55.24 H new ATOM 1460 N ARG A 99 -13.576 -4.178 30.354 1.00 23.11 N ATOM 1461 CA ARG A 99 -13.813 -5.362 31.171 1.00 54.22 C ATOM 1462 C ARG A 99 -15.142 -6.018 30.805 1.00 0.45 C ATOM 1463 O ARG A 99 -15.220 -7.235 30.639 1.00 0.32 O ATOM 1464 CB ARG A 99 -13.804 -4.995 32.655 1.00 2.21 C ATOM 1465 CG ARG A 99 -12.521 -5.383 33.372 1.00 70.23 C ATOM 1466 CD ARG A 99 -12.785 -6.387 34.484 1.00 24.21 C ATOM 1467 NE ARG A 99 -11.632 -6.543 35.366 1.00 3.45 N ATOM 1468 CZ ARG A 99 -11.708 -7.047 36.592 1.00 53.34 C ATOM 1469 NH1 ARG A 99 -12.876 -7.445 37.078 1.00 15.50 N ATOM 1470 NH2 ARG A 99 -10.614 -7.157 37.335 1.00 54.25 N ATOM 0 H ARG A 99 -13.710 -3.294 30.844 1.00 23.11 H new ATOM 0 HA ARG A 99 -13.011 -6.073 30.976 1.00 54.22 H new ATOM 0 HB2 ARG A 99 -13.955 -3.920 32.755 1.00 2.21 H new ATOM 0 HB3 ARG A 99 -14.646 -5.483 33.146 1.00 2.21 H new ATOM 0 HG2 ARG A 99 -11.817 -5.808 32.656 1.00 70.23 H new ATOM 0 HG3 ARG A 99 -12.052 -4.492 33.789 1.00 70.23 H new ATOM 0 HD2 ARG A 99 -13.647 -6.063 35.068 1.00 24.21 H new ATOM 0 HD3 ARG A 99 -13.041 -7.352 34.047 1.00 24.21 H new ATOM 0 HE ARG A 99 -10.718 -6.249 35.022 1.00 3.45 H new ATOM 0 HH11 ARG A 99 -13.719 -7.364 36.510 1.00 15.50 H new ATOM 0 HH12 ARG A 99 -12.931 -7.832 38.020 1.00 15.50 H new ATOM 0 HH21 ARG A 99 -9.713 -6.854 36.964 1.00 54.25 H new ATOM 0 HH22 ARG A 99 -10.674 -7.544 38.277 1.00 54.25 H new ATOM 1484 N GLY A 100 -16.184 -5.202 30.683 1.00 62.42 N ATOM 1485 CA GLY A 100 -17.495 -5.721 30.340 1.00 30.42 C ATOM 1486 C GLY A 100 -18.046 -6.653 31.400 1.00 51.23 C ATOM 1487 O GLY A 100 -17.912 -7.868 31.258 1.00 30.43 O ATOM 0 H GLY A 100 -16.144 -4.191 30.815 1.00 62.42 H new ATOM 0 HA2 GLY A 100 -18.185 -4.890 30.197 1.00 30.42 H new ATOM 0 HA3 GLY A 100 -17.435 -6.252 29.390 1.00 30.42 H new TER 1491 GLY A 100 HETATM 1492 ZN ZN A 201 -11.187 -4.360 -10.119 1.00 61.32 ZN