USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 87 GLN : amide:sc=-0.00464 X(o=-0.0046,f=0) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 2.1: A 63 GLN : amide:sc= -5.68 K(o=-6.9,f=-14!) USER MOD Set 2.2: A 70 TYR OH : rot -69:sc= -1.2! USER MOD Set 3.1: A 9 THR OG1 : rot 170:sc= -0.0306 USER MOD Set 3.2: A 41 SER OG : rot -100:sc= -0.361 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -110:sc= -0.301 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -110:sc= -0.128 USER MOD Single : A 14 SER OG : rot -170:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.6! C(o=-1.6!,f=-2.8!) USER MOD Single : A 21 GLN : amide:sc= 0.0314 X(o=0.031,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 83:sc= 1.04 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= -0.162 (180deg=-0.921) USER MOD Single : A 34 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.68) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0675 USER MOD Single : A 36 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.2!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 44 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 50 MET CE :methyl 177:sc= -4.04! (180deg=-4.19!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot -95:sc= -0.223 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.998 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0877 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.902 6.414 -2.518 1.00 0.00 N ATOM 2 CA MET A 1 16.465 5.208 -1.768 1.00 0.00 C ATOM 3 C MET A 1 15.622 4.289 -2.646 1.00 0.00 C ATOM 4 O MET A 1 14.999 4.734 -3.610 1.00 0.00 O ATOM 5 CB MET A 1 15.659 5.658 -0.548 1.00 0.00 C ATOM 6 CG MET A 1 15.926 4.828 0.697 1.00 0.00 C ATOM 7 SD MET A 1 14.901 3.346 0.776 1.00 0.00 S ATOM 8 CE MET A 1 15.822 2.361 1.954 1.00 0.00 C ATOM 0 H1 MET A 1 17.474 7.021 -1.896 1.00 0.00 H new ATOM 0 H2 MET A 1 17.472 6.125 -3.339 1.00 0.00 H new ATOM 0 H3 MET A 1 16.067 6.941 -2.844 1.00 0.00 H new ATOM 0 HA MET A 1 17.343 4.645 -1.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.890 6.702 -0.335 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.597 5.609 -0.786 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.977 4.540 0.718 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.745 5.438 1.582 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.313 1.410 2.109 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.825 2.177 1.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.889 2.896 2.902 1.00 0.00 H new ATOM 20 N SER A 2 15.607 3.004 -2.306 1.00 0.00 N ATOM 21 CA SER A 2 14.840 2.022 -3.064 1.00 0.00 C ATOM 22 C SER A 2 14.024 1.132 -2.133 1.00 0.00 C ATOM 23 O SER A 2 14.543 0.175 -1.560 1.00 0.00 O ATOM 24 CB SER A 2 15.774 1.165 -3.920 1.00 0.00 C ATOM 25 OG SER A 2 15.186 0.866 -5.174 1.00 0.00 O ATOM 0 H SER A 2 16.117 2.619 -1.511 1.00 0.00 H new ATOM 0 HA SER A 2 14.152 2.560 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.717 1.691 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.007 0.239 -3.394 1.00 0.00 H new ATOM 0 HG SER A 2 15.804 0.319 -5.703 1.00 0.00 H new ATOM 31 N GLY A 3 12.743 1.454 -1.987 1.00 0.00 N ATOM 32 CA GLY A 3 11.876 0.674 -1.124 1.00 0.00 C ATOM 33 C GLY A 3 10.408 0.867 -1.449 1.00 0.00 C ATOM 34 O GLY A 3 10.050 1.735 -2.245 1.00 0.00 O ATOM 0 H GLY A 3 12.290 2.241 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.130 -0.382 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.055 0.954 -0.086 1.00 0.00 H new ATOM 38 N LEU A 4 9.555 0.055 -0.832 1.00 0.00 N ATOM 39 CA LEU A 4 8.118 0.141 -1.060 1.00 0.00 C ATOM 40 C LEU A 4 7.457 1.052 -0.030 1.00 0.00 C ATOM 41 O LEU A 4 7.683 0.912 1.173 1.00 0.00 O ATOM 42 CB LEU A 4 7.486 -1.251 -1.006 1.00 0.00 C ATOM 43 CG LEU A 4 7.554 -2.044 -2.312 1.00 0.00 C ATOM 44 CD1 LEU A 4 8.786 -2.934 -2.332 1.00 0.00 C ATOM 45 CD2 LEU A 4 6.292 -2.873 -2.498 1.00 0.00 C ATOM 0 H LEU A 4 9.835 -0.669 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 4 7.958 0.566 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.979 -1.827 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.441 -1.148 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 4 7.627 -1.339 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.818 -3.491 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.681 -2.318 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.744 -3.632 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.357 -3.431 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.188 -3.570 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.425 -2.213 -2.529 1.00 0.00 H new ATOM 57 N ARG A 5 6.641 1.984 -0.509 1.00 0.00 N ATOM 58 CA ARG A 5 5.948 2.918 0.370 1.00 0.00 C ATOM 59 C ARG A 5 4.454 2.614 0.416 1.00 0.00 C ATOM 60 O ARG A 5 3.709 2.968 -0.498 1.00 0.00 O ATOM 61 CB ARG A 5 6.172 4.357 -0.101 1.00 0.00 C ATOM 62 CG ARG A 5 7.627 4.682 -0.393 1.00 0.00 C ATOM 63 CD ARG A 5 7.801 6.134 -0.808 1.00 0.00 C ATOM 64 NE ARG A 5 9.139 6.397 -1.332 1.00 0.00 N ATOM 65 CZ ARG A 5 10.217 6.554 -0.567 1.00 0.00 C ATOM 66 NH1 ARG A 5 10.119 6.475 0.755 1.00 0.00 N ATOM 67 NH2 ARG A 5 11.397 6.791 -1.124 1.00 0.00 N ATOM 0 H ARG A 5 6.443 2.113 -1.501 1.00 0.00 H new ATOM 0 HA ARG A 5 6.356 2.804 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.582 4.532 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.801 5.042 0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.231 4.481 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.995 4.030 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.059 6.386 -1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.614 6.781 0.049 1.00 0.00 H new ATOM 0 HE ARG A 5 9.254 6.464 -2.343 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.214 6.293 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.949 6.596 1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.479 6.853 -2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.223 6.911 -0.538 1.00 0.00 H new ATOM 81 N VAL A 6 4.022 1.956 1.487 1.00 0.00 N ATOM 82 CA VAL A 6 2.617 1.605 1.653 1.00 0.00 C ATOM 83 C VAL A 6 1.859 2.706 2.388 1.00 0.00 C ATOM 84 O VAL A 6 2.173 3.030 3.533 1.00 0.00 O ATOM 85 CB VAL A 6 2.455 0.282 2.424 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.997 -0.152 2.446 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.331 -0.801 1.814 1.00 0.00 C ATOM 0 H VAL A 6 4.625 1.655 2.253 1.00 0.00 H new ATOM 0 HA VAL A 6 2.200 1.486 0.653 1.00 0.00 H new ATOM 0 HB VAL A 6 2.776 0.442 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.904 -1.089 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.396 0.616 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.644 -0.294 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.204 -1.729 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.043 -0.960 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.375 -0.492 1.858 1.00 0.00 H new ATOM 97 N TYR A 7 0.860 3.275 1.722 1.00 0.00 N ATOM 98 CA TYR A 7 0.056 4.339 2.312 1.00 0.00 C ATOM 99 C TYR A 7 -0.996 3.765 3.254 1.00 0.00 C ATOM 100 O TYR A 7 -1.489 2.657 3.048 1.00 0.00 O ATOM 101 CB TYR A 7 -0.625 5.162 1.217 1.00 0.00 C ATOM 102 CG TYR A 7 0.267 6.213 0.593 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.385 7.476 1.158 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.988 5.942 -0.564 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.196 8.440 0.589 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.800 6.901 -1.139 1.00 0.00 C ATOM 107 CZ TYR A 7 1.901 8.147 -0.559 1.00 0.00 C ATOM 108 OH TYR A 7 2.708 9.105 -1.129 1.00 0.00 O ATOM 0 H TYR A 7 0.588 3.017 0.773 1.00 0.00 H new ATOM 0 HA TYR A 7 0.721 4.986 2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.977 4.488 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.505 5.650 1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.166 7.709 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.912 4.966 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.277 9.417 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.353 6.675 -2.039 1.00 0.00 H new ATOM 0 HH TYR A 7 3.135 8.738 -1.931 1.00 0.00 H new ATOM 118 N SER A 8 -1.336 4.529 4.285 1.00 0.00 N ATOM 119 CA SER A 8 -2.333 4.097 5.257 1.00 0.00 C ATOM 120 C SER A 8 -3.015 5.295 5.909 1.00 0.00 C ATOM 121 O SER A 8 -2.699 6.444 5.603 1.00 0.00 O ATOM 122 CB SER A 8 -1.684 3.218 6.328 1.00 0.00 C ATOM 123 OG SER A 8 -0.502 2.607 5.840 1.00 0.00 O ATOM 0 H SER A 8 -0.937 5.449 4.470 1.00 0.00 H new ATOM 0 HA SER A 8 -3.090 3.516 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.450 3.821 7.205 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.388 2.450 6.648 1.00 0.00 H new ATOM 0 HG SER A 8 -0.652 1.645 5.732 1.00 0.00 H new ATOM 129 N THR A 9 -3.952 5.017 6.810 1.00 0.00 N ATOM 130 CA THR A 9 -4.680 6.072 7.506 1.00 0.00 C ATOM 131 C THR A 9 -4.629 5.865 9.016 1.00 0.00 C ATOM 132 O THR A 9 -5.336 5.018 9.561 1.00 0.00 O ATOM 133 CB THR A 9 -6.135 6.114 7.034 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.906 6.964 7.863 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.800 4.754 7.026 1.00 0.00 C ATOM 0 H THR A 9 -4.225 4.071 7.075 1.00 0.00 H new ATOM 0 HA THR A 9 -4.202 7.023 7.272 1.00 0.00 H new ATOM 0 HB THR A 9 -6.097 6.489 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.787 7.106 7.457 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.829 4.854 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.257 4.087 6.357 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.794 4.340 8.034 1.00 0.00 H new ATOM 143 N SER A 10 -3.788 6.645 9.687 1.00 0.00 N ATOM 144 CA SER A 10 -3.646 6.547 11.135 1.00 0.00 C ATOM 145 C SER A 10 -4.975 6.821 11.831 1.00 0.00 C ATOM 146 O SER A 10 -5.261 6.260 12.889 1.00 0.00 O ATOM 147 CB SER A 10 -2.583 7.529 11.632 1.00 0.00 C ATOM 148 OG SER A 10 -2.033 7.103 12.867 1.00 0.00 O ATOM 0 H SER A 10 -3.195 7.351 9.252 1.00 0.00 H new ATOM 0 HA SER A 10 -3.333 5.531 11.377 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.791 7.619 10.889 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.024 8.519 11.749 1.00 0.00 H new ATOM 0 HG SER A 10 -1.355 7.746 13.163 1.00 0.00 H new ATOM 154 N VAL A 11 -5.785 7.687 11.230 1.00 0.00 N ATOM 155 CA VAL A 11 -7.084 8.035 11.792 1.00 0.00 C ATOM 156 C VAL A 11 -8.184 7.925 10.741 1.00 0.00 C ATOM 157 O VAL A 11 -8.402 8.849 9.958 1.00 0.00 O ATOM 158 CB VAL A 11 -7.084 9.463 12.370 1.00 0.00 C ATOM 159 CG1 VAL A 11 -8.372 9.732 13.133 1.00 0.00 C ATOM 160 CG2 VAL A 11 -5.871 9.678 13.263 1.00 0.00 C ATOM 0 H VAL A 11 -5.564 8.160 10.354 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.280 7.326 12.597 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.026 10.170 11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.353 10.746 13.534 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.223 9.624 12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.465 9.020 13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.888 10.692 13.662 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.894 8.964 14.086 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.961 9.532 12.681 1.00 0.00 H new ATOM 170 N THR A 12 -8.874 6.790 10.730 1.00 0.00 N ATOM 171 CA THR A 12 -9.952 6.559 9.775 1.00 0.00 C ATOM 172 C THR A 12 -11.303 6.501 10.481 1.00 0.00 C ATOM 173 O THR A 12 -11.371 6.357 11.702 1.00 0.00 O ATOM 174 CB THR A 12 -9.709 5.259 9.006 1.00 0.00 C ATOM 175 OG1 THR A 12 -10.715 5.060 8.028 1.00 0.00 O ATOM 176 CG2 THR A 12 -9.683 4.034 9.894 1.00 0.00 C ATOM 0 H THR A 12 -8.706 6.015 11.372 1.00 0.00 H new ATOM 0 HA THR A 12 -9.966 7.392 9.073 1.00 0.00 H new ATOM 0 HB THR A 12 -8.728 5.374 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.286 4.310 8.295 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.507 3.147 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.884 4.134 10.629 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.639 3.937 10.408 1.00 0.00 H new ATOM 184 N GLY A 13 -12.375 6.613 9.704 1.00 0.00 N ATOM 185 CA GLY A 13 -13.710 6.570 10.272 1.00 0.00 C ATOM 186 C GLY A 13 -14.470 5.321 9.871 1.00 0.00 C ATOM 187 O GLY A 13 -15.316 4.833 10.622 1.00 0.00 O ATOM 0 H GLY A 13 -12.343 6.733 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.641 6.616 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -14.267 7.450 9.950 1.00 0.00 H new ATOM 191 N SER A 14 -14.169 4.802 8.685 1.00 0.00 N ATOM 192 CA SER A 14 -14.830 3.602 8.185 1.00 0.00 C ATOM 193 C SER A 14 -14.613 2.426 9.132 1.00 0.00 C ATOM 194 O SER A 14 -13.906 2.545 10.134 1.00 0.00 O ATOM 195 CB SER A 14 -14.307 3.251 6.791 1.00 0.00 C ATOM 196 OG SER A 14 -14.814 4.147 5.816 1.00 0.00 O ATOM 0 H SER A 14 -13.471 5.194 8.052 1.00 0.00 H new ATOM 0 HA SER A 14 -15.899 3.805 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.218 3.284 6.789 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.595 2.231 6.537 1.00 0.00 H new ATOM 0 HG SER A 14 -14.597 3.813 4.921 1.00 0.00 H new ATOM 202 N ARG A 15 -15.227 1.292 8.810 1.00 0.00 N ATOM 203 CA ARG A 15 -15.102 0.093 9.636 1.00 0.00 C ATOM 204 C ARG A 15 -14.354 -1.011 8.910 1.00 0.00 C ATOM 205 O ARG A 15 -13.928 -1.999 9.509 1.00 0.00 O ATOM 206 CB ARG A 15 -16.481 -0.406 10.052 1.00 0.00 C ATOM 207 CG ARG A 15 -16.450 -1.402 11.200 1.00 0.00 C ATOM 208 CD ARG A 15 -17.643 -1.225 12.127 1.00 0.00 C ATOM 209 NE ARG A 15 -17.232 -1.028 13.515 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.065 -1.094 14.552 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.352 -1.356 14.362 1.00 0.00 N ATOM 212 NH2 ARG A 15 -17.609 -0.899 15.782 1.00 0.00 N ATOM 0 H ARG A 15 -15.815 1.177 7.985 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.529 0.362 10.523 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.095 0.448 10.340 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.964 -0.871 9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.445 -2.417 10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.527 -1.277 11.766 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.234 -0.370 11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.287 -2.102 12.060 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.249 -0.828 13.701 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.708 -1.508 13.418 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.986 -1.405 15.160 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.620 -0.698 15.934 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.247 -0.949 16.576 1.00 0.00 H new ATOM 226 N GLU A 16 -14.202 -0.822 7.624 1.00 0.00 N ATOM 227 CA GLU A 16 -13.504 -1.779 6.773 1.00 0.00 C ATOM 228 C GLU A 16 -12.078 -1.316 6.502 1.00 0.00 C ATOM 229 O GLU A 16 -11.161 -2.128 6.384 1.00 0.00 O ATOM 230 CB GLU A 16 -14.253 -1.964 5.451 1.00 0.00 C ATOM 231 CG GLU A 16 -14.736 -0.660 4.836 1.00 0.00 C ATOM 232 CD GLU A 16 -16.220 -0.431 5.046 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.703 -0.666 6.174 1.00 0.00 O ATOM 234 OE2 GLU A 16 -16.898 -0.017 4.083 1.00 0.00 O ATOM 0 H GLU A 16 -14.555 -0.004 7.128 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.468 -2.735 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.599 -2.471 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.110 -2.617 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.179 0.170 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.520 -0.665 3.768 1.00 0.00 H new ATOM 241 N ILE A 17 -11.900 -0.002 6.407 1.00 0.00 N ATOM 242 CA ILE A 17 -10.588 0.579 6.153 1.00 0.00 C ATOM 243 C ILE A 17 -9.588 0.169 7.231 1.00 0.00 C ATOM 244 O ILE A 17 -8.389 0.068 6.973 1.00 0.00 O ATOM 245 CB ILE A 17 -10.665 2.118 6.087 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.656 2.552 5.006 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.289 2.713 5.821 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.793 4.054 4.879 1.00 0.00 C ATOM 0 H ILE A 17 -12.651 0.682 6.503 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.248 0.199 5.190 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.016 2.489 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.338 2.142 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.633 2.124 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.365 3.800 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.608 2.428 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.908 2.338 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.512 4.289 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.141 4.469 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.825 4.488 4.627 1.00 0.00 H new ATOM 260 N LYS A 18 -10.090 -0.067 8.439 1.00 0.00 N ATOM 261 CA LYS A 18 -9.240 -0.466 9.555 1.00 0.00 C ATOM 262 C LYS A 18 -8.685 -1.871 9.341 1.00 0.00 C ATOM 263 O LYS A 18 -7.592 -2.195 9.806 1.00 0.00 O ATOM 264 CB LYS A 18 -10.025 -0.410 10.867 1.00 0.00 C ATOM 265 CG LYS A 18 -10.184 0.997 11.421 1.00 0.00 C ATOM 266 CD LYS A 18 -11.465 1.136 12.227 1.00 0.00 C ATOM 267 CE LYS A 18 -11.220 0.893 13.708 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.715 2.114 14.395 1.00 0.00 N ATOM 0 H LYS A 18 -11.080 0.011 8.670 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.404 0.231 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.013 -0.843 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.521 -1.029 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.328 1.240 12.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.190 1.714 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.879 2.134 12.085 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.207 0.427 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.147 0.568 14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.499 0.084 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.561 1.907 15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.818 2.410 13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.414 2.879 14.302 1.00 0.00 H new ATOM 282 N SER A 19 -9.446 -2.703 8.636 1.00 0.00 N ATOM 283 CA SER A 19 -9.030 -4.073 8.362 1.00 0.00 C ATOM 284 C SER A 19 -8.016 -4.120 7.223 1.00 0.00 C ATOM 285 O SER A 19 -7.157 -5.000 7.179 1.00 0.00 O ATOM 286 CB SER A 19 -10.244 -4.936 8.014 1.00 0.00 C ATOM 287 OG SER A 19 -11.344 -4.633 8.854 1.00 0.00 O ATOM 0 H SER A 19 -10.354 -2.452 8.245 1.00 0.00 H new ATOM 0 HA SER A 19 -8.556 -4.467 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.522 -4.774 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.985 -5.990 8.115 1.00 0.00 H new ATOM 0 HG SER A 19 -12.107 -5.197 8.610 1.00 0.00 H new ATOM 293 N GLN A 20 -8.121 -3.166 6.302 1.00 0.00 N ATOM 294 CA GLN A 20 -7.213 -3.101 5.163 1.00 0.00 C ATOM 295 C GLN A 20 -5.777 -2.870 5.623 1.00 0.00 C ATOM 296 O GLN A 20 -4.888 -3.675 5.345 1.00 0.00 O ATOM 297 CB GLN A 20 -7.639 -1.986 4.205 1.00 0.00 C ATOM 298 CG GLN A 20 -9.132 -1.961 3.917 1.00 0.00 C ATOM 299 CD GLN A 20 -9.669 -3.315 3.493 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.321 -3.828 2.430 1.00 0.00 O ATOM 301 NE2 GLN A 20 -10.522 -3.900 4.325 1.00 0.00 N ATOM 0 H GLN A 20 -8.825 -2.429 6.323 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.259 -4.057 4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.344 -1.025 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.099 -2.101 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.664 -1.626 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.334 -1.232 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.783 -3.438 5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.917 -4.812 4.093 1.00 0.00 H new ATOM 310 N GLN A 21 -5.558 -1.765 6.328 1.00 0.00 N ATOM 311 CA GLN A 21 -4.230 -1.425 6.826 1.00 0.00 C ATOM 312 C GLN A 21 -3.695 -2.518 7.746 1.00 0.00 C ATOM 313 O GLN A 21 -2.496 -2.796 7.764 1.00 0.00 O ATOM 314 CB GLN A 21 -4.269 -0.090 7.571 1.00 0.00 C ATOM 315 CG GLN A 21 -5.349 -0.020 8.638 1.00 0.00 C ATOM 316 CD GLN A 21 -5.072 1.046 9.679 1.00 0.00 C ATOM 317 OE1 GLN A 21 -4.175 0.900 10.510 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.842 2.127 9.640 1.00 0.00 N ATOM 0 H GLN A 21 -6.284 -1.089 6.568 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.561 -1.337 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.299 0.086 8.036 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.428 0.713 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.310 0.181 8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.432 -0.989 9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.574 2.207 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.702 2.878 10.316 1.00 0.00 H new ATOM 327 N SER A 22 -4.592 -3.135 8.508 1.00 0.00 N ATOM 328 CA SER A 22 -4.209 -4.197 9.432 1.00 0.00 C ATOM 329 C SER A 22 -3.862 -5.476 8.677 1.00 0.00 C ATOM 330 O SER A 22 -2.981 -6.232 9.089 1.00 0.00 O ATOM 331 CB SER A 22 -5.340 -4.468 10.426 1.00 0.00 C ATOM 332 OG SER A 22 -4.837 -5.006 11.636 1.00 0.00 O ATOM 0 H SER A 22 -5.589 -2.918 8.504 1.00 0.00 H new ATOM 0 HA SER A 22 -3.325 -3.868 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.877 -3.542 10.632 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.057 -5.162 9.986 1.00 0.00 H new ATOM 0 HG SER A 22 -5.579 -5.169 12.255 1.00 0.00 H new ATOM 338 N GLU A 23 -4.560 -5.714 7.572 1.00 0.00 N ATOM 339 CA GLU A 23 -4.326 -6.904 6.761 1.00 0.00 C ATOM 340 C GLU A 23 -3.026 -6.780 5.972 1.00 0.00 C ATOM 341 O GLU A 23 -2.259 -7.738 5.866 1.00 0.00 O ATOM 342 CB GLU A 23 -5.497 -7.133 5.804 1.00 0.00 C ATOM 343 CG GLU A 23 -5.346 -8.378 4.946 1.00 0.00 C ATOM 344 CD GLU A 23 -5.665 -9.651 5.704 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.826 -9.809 6.138 1.00 0.00 O ATOM 346 OE2 GLU A 23 -4.754 -10.491 5.865 1.00 0.00 O ATOM 0 H GLU A 23 -5.292 -5.099 7.217 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.241 -7.759 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.418 -7.209 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.600 -6.264 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.004 -8.300 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.326 -8.432 4.567 1.00 0.00 H new ATOM 353 N VAL A 24 -2.784 -5.595 5.420 1.00 0.00 N ATOM 354 CA VAL A 24 -1.576 -5.348 4.640 1.00 0.00 C ATOM 355 C VAL A 24 -0.323 -5.589 5.476 1.00 0.00 C ATOM 356 O VAL A 24 0.549 -6.370 5.094 1.00 0.00 O ATOM 357 CB VAL A 24 -1.545 -3.909 4.092 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.355 -3.713 3.165 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.848 -3.581 3.376 1.00 0.00 C ATOM 0 H VAL A 24 -3.408 -4.792 5.498 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.592 -6.047 3.803 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.436 -3.224 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.352 -2.690 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.568 -3.901 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.428 -4.407 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.807 -2.560 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.991 -4.272 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.680 -3.675 4.074 1.00 0.00 H new ATOM 369 N THR A 25 -0.240 -4.914 6.617 1.00 0.00 N ATOM 370 CA THR A 25 0.907 -5.056 7.506 1.00 0.00 C ATOM 371 C THR A 25 1.042 -6.494 7.997 1.00 0.00 C ATOM 372 O THR A 25 2.148 -6.975 8.242 1.00 0.00 O ATOM 373 CB THR A 25 0.775 -4.107 8.699 1.00 0.00 C ATOM 374 OG1 THR A 25 0.161 -2.892 8.307 1.00 0.00 O ATOM 375 CG2 THR A 25 2.102 -3.765 9.341 1.00 0.00 C ATOM 0 H THR A 25 -0.953 -4.264 6.948 1.00 0.00 H new ATOM 0 HA THR A 25 1.804 -4.799 6.943 1.00 0.00 H new ATOM 0 HB THR A 25 0.165 -4.641 9.427 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.813 -3.003 8.306 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.937 -3.089 10.180 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.579 -4.677 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.747 -3.282 8.607 1.00 0.00 H new ATOM 383 N ARG A 26 -0.091 -7.175 8.137 1.00 0.00 N ATOM 384 CA ARG A 26 -0.098 -8.558 8.598 1.00 0.00 C ATOM 385 C ARG A 26 0.705 -9.450 7.656 1.00 0.00 C ATOM 386 O ARG A 26 1.468 -10.309 8.098 1.00 0.00 O ATOM 387 CB ARG A 26 -1.534 -9.075 8.707 1.00 0.00 C ATOM 388 CG ARG A 26 -1.662 -10.347 9.529 1.00 0.00 C ATOM 389 CD ARG A 26 -3.079 -10.899 9.489 1.00 0.00 C ATOM 390 NE ARG A 26 -3.747 -10.786 10.783 1.00 0.00 N ATOM 391 CZ ARG A 26 -5.058 -10.940 10.957 1.00 0.00 C ATOM 392 NH1 ARG A 26 -5.844 -11.211 9.923 1.00 0.00 N ATOM 393 NH2 ARG A 26 -5.584 -10.822 12.168 1.00 0.00 N ATOM 0 H ARG A 26 -1.015 -6.792 7.938 1.00 0.00 H new ATOM 0 HA ARG A 26 0.367 -8.588 9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.157 -8.300 9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.922 -9.259 7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.968 -11.097 9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.379 -10.144 10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.656 -10.363 8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.052 -11.945 9.185 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.175 -10.577 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.445 -11.302 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.848 -11.328 10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.984 -10.613 12.966 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.588 -10.940 12.301 1.00 0.00 H new ATOM 407 N ILE A 27 0.528 -9.239 6.356 1.00 0.00 N ATOM 408 CA ILE A 27 1.236 -10.023 5.351 1.00 0.00 C ATOM 409 C ILE A 27 2.702 -9.613 5.268 1.00 0.00 C ATOM 410 O ILE A 27 3.598 -10.453 5.353 1.00 0.00 O ATOM 411 CB ILE A 27 0.591 -9.869 3.960 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.917 -10.109 4.042 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.232 -10.829 2.969 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.653 -9.777 2.762 1.00 0.00 C ATOM 0 H ILE A 27 -0.100 -8.532 5.974 1.00 0.00 H new ATOM 0 HA ILE A 27 1.170 -11.066 5.659 1.00 0.00 H new ATOM 0 HB ILE A 27 0.759 -8.850 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.097 -11.154 4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.328 -9.509 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.765 -10.708 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.298 -10.614 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.093 -11.854 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.717 -9.971 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.504 -8.725 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.269 -10.395 1.951 1.00 0.00 H new ATOM 426 N LEU A 28 2.940 -8.316 5.101 1.00 0.00 N ATOM 427 CA LEU A 28 4.299 -7.794 5.007 1.00 0.00 C ATOM 428 C LEU A 28 5.096 -8.124 6.264 1.00 0.00 C ATOM 429 O LEU A 28 6.241 -8.572 6.186 1.00 0.00 O ATOM 430 CB LEU A 28 4.271 -6.281 4.790 1.00 0.00 C ATOM 431 CG LEU A 28 3.647 -5.827 3.469 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.895 -4.518 3.655 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.717 -5.681 2.398 1.00 0.00 C ATOM 0 H LEU A 28 2.210 -7.607 5.028 1.00 0.00 H new ATOM 0 HA LEU A 28 4.786 -8.268 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.720 -5.822 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.292 -5.903 4.841 1.00 0.00 H new ATOM 0 HG LEU A 28 2.936 -6.587 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.458 -4.211 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.103 -4.655 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.584 -3.749 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.256 -5.357 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.451 -4.941 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.212 -6.640 2.245 1.00 0.00 H new ATOM 445 N ASP A 29 4.483 -7.901 7.422 1.00 0.00 N ATOM 446 CA ASP A 29 5.133 -8.176 8.699 1.00 0.00 C ATOM 447 C ASP A 29 5.562 -9.637 8.784 1.00 0.00 C ATOM 448 O ASP A 29 6.718 -9.939 9.083 1.00 0.00 O ATOM 449 CB ASP A 29 4.192 -7.840 9.858 1.00 0.00 C ATOM 450 CG ASP A 29 4.880 -7.934 11.206 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.031 -7.464 11.320 1.00 0.00 O ATOM 452 OD2 ASP A 29 4.266 -8.476 12.149 1.00 0.00 O ATOM 0 H ASP A 29 3.536 -7.530 7.503 1.00 0.00 H new ATOM 0 HA ASP A 29 6.022 -7.549 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.799 -6.832 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.340 -8.520 9.840 1.00 0.00 H new ATOM 457 N GLY A 30 4.625 -10.540 8.513 1.00 0.00 N ATOM 458 CA GLY A 30 4.928 -11.958 8.559 1.00 0.00 C ATOM 459 C GLY A 30 6.037 -12.339 7.599 1.00 0.00 C ATOM 460 O GLY A 30 6.782 -13.288 7.843 1.00 0.00 O ATOM 0 H GLY A 30 3.662 -10.315 8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.218 -12.233 9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.030 -12.527 8.318 1.00 0.00 H new ATOM 464 N LYS A 31 6.148 -11.592 6.505 1.00 0.00 N ATOM 465 CA LYS A 31 7.176 -11.848 5.503 1.00 0.00 C ATOM 466 C LYS A 31 8.530 -11.293 5.946 1.00 0.00 C ATOM 467 O LYS A 31 9.549 -11.537 5.299 1.00 0.00 O ATOM 468 CB LYS A 31 6.774 -11.231 4.162 1.00 0.00 C ATOM 469 CG LYS A 31 5.576 -11.907 3.516 1.00 0.00 C ATOM 470 CD LYS A 31 4.992 -11.057 2.399 1.00 0.00 C ATOM 471 CE LYS A 31 5.502 -11.499 1.037 1.00 0.00 C ATOM 472 NZ LYS A 31 5.165 -12.921 0.753 1.00 0.00 N ATOM 0 H LYS A 31 5.538 -10.804 6.290 1.00 0.00 H new ATOM 0 HA LYS A 31 7.270 -12.928 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.548 -10.175 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.622 -11.283 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.875 -12.877 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.812 -12.094 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.904 -11.124 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.250 -10.011 2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.071 -10.862 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.583 -11.366 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.048 -13.052 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.932 -13.535 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.279 -13.171 1.237 1.00 0.00 H new ATOM 486 N ARG A 32 8.535 -10.546 7.048 1.00 0.00 N ATOM 487 CA ARG A 32 9.766 -9.960 7.568 1.00 0.00 C ATOM 488 C ARG A 32 10.362 -8.975 6.568 1.00 0.00 C ATOM 489 O ARG A 32 11.567 -8.983 6.313 1.00 0.00 O ATOM 490 CB ARG A 32 10.782 -11.058 7.896 1.00 0.00 C ATOM 491 CG ARG A 32 10.666 -11.591 9.314 1.00 0.00 C ATOM 492 CD ARG A 32 11.613 -10.869 10.259 1.00 0.00 C ATOM 493 NE ARG A 32 12.922 -11.515 10.322 1.00 0.00 N ATOM 494 CZ ARG A 32 13.993 -10.968 10.893 1.00 0.00 C ATOM 495 NH1 ARG A 32 13.914 -9.766 11.451 1.00 0.00 N ATOM 496 NH2 ARG A 32 15.145 -11.623 10.906 1.00 0.00 N ATOM 0 H ARG A 32 7.702 -10.333 7.596 1.00 0.00 H new ATOM 0 HA ARG A 32 9.525 -9.418 8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.652 -11.883 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.788 -10.667 7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.641 -11.474 9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.886 -12.659 9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.734 -9.836 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.176 -10.838 11.257 1.00 0.00 H new ATOM 0 HE ARG A 32 13.021 -12.440 9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.030 -9.257 11.443 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.737 -9.351 11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.211 -12.547 10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.965 -11.203 11.344 1.00 0.00 H new ATOM 510 N ILE A 33 9.510 -8.124 6.006 1.00 0.00 N ATOM 511 CA ILE A 33 9.949 -7.132 5.039 1.00 0.00 C ATOM 512 C ILE A 33 10.416 -5.861 5.736 1.00 0.00 C ATOM 513 O ILE A 33 10.054 -5.596 6.882 1.00 0.00 O ATOM 514 CB ILE A 33 8.826 -6.778 4.045 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.232 -8.050 3.438 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.353 -5.859 2.952 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.144 -7.785 2.420 1.00 0.00 C ATOM 0 H ILE A 33 8.510 -8.104 6.206 1.00 0.00 H new ATOM 0 HA ILE A 33 10.782 -7.571 4.489 1.00 0.00 H new ATOM 0 HB ILE A 33 8.038 -6.253 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.029 -8.623 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.826 -8.669 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.547 -5.619 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.732 -4.940 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.158 -6.359 2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.770 -8.733 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.328 -7.239 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.549 -7.192 1.600 1.00 0.00 H new ATOM 529 N GLN A 34 11.222 -5.082 5.031 1.00 0.00 N ATOM 530 CA GLN A 34 11.748 -3.833 5.570 1.00 0.00 C ATOM 531 C GLN A 34 11.194 -2.637 4.801 1.00 0.00 C ATOM 532 O GLN A 34 11.944 -1.771 4.351 1.00 0.00 O ATOM 533 CB GLN A 34 13.277 -3.832 5.510 1.00 0.00 C ATOM 534 CG GLN A 34 13.831 -3.938 4.098 1.00 0.00 C ATOM 535 CD GLN A 34 13.931 -5.373 3.617 1.00 0.00 C ATOM 536 OE1 GLN A 34 14.666 -6.180 4.185 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.190 -5.697 2.564 1.00 0.00 N ATOM 0 H GLN A 34 11.528 -5.292 4.081 1.00 0.00 H new ATOM 0 HA GLN A 34 11.434 -3.751 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.650 -2.917 5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.656 -4.664 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.192 -3.374 3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.818 -3.477 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.595 -4.995 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.216 -6.648 2.195 1.00 0.00 H new ATOM 546 N TYR A 35 9.874 -2.600 4.653 1.00 0.00 N ATOM 547 CA TYR A 35 9.215 -1.515 3.936 1.00 0.00 C ATOM 548 C TYR A 35 8.743 -0.427 4.898 1.00 0.00 C ATOM 549 O TYR A 35 8.575 -0.670 6.093 1.00 0.00 O ATOM 550 CB TYR A 35 8.030 -2.059 3.127 1.00 0.00 C ATOM 551 CG TYR A 35 6.777 -2.290 3.947 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.685 -3.361 4.827 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.690 -1.432 3.842 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.544 -3.571 5.577 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.546 -1.635 4.591 1.00 0.00 C ATOM 556 CZ TYR A 35 4.478 -2.705 5.456 1.00 0.00 C ATOM 557 OH TYR A 35 3.341 -2.910 6.203 1.00 0.00 O ATOM 0 H TYR A 35 9.239 -3.309 5.020 1.00 0.00 H new ATOM 0 HA TYR A 35 9.939 -1.071 3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.801 -1.360 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.324 -2.999 2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.519 -4.040 4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.739 -0.593 3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.487 -4.410 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.710 -0.958 4.498 1.00 0.00 H new ATOM 0 HH TYR A 35 2.686 -2.210 6.000 1.00 0.00 H new ATOM 567 N GLN A 36 8.523 0.770 4.364 1.00 0.00 N ATOM 568 CA GLN A 36 8.062 1.895 5.168 1.00 0.00 C ATOM 569 C GLN A 36 6.545 2.027 5.081 1.00 0.00 C ATOM 570 O GLN A 36 5.886 1.245 4.398 1.00 0.00 O ATOM 571 CB GLN A 36 8.727 3.191 4.701 1.00 0.00 C ATOM 572 CG GLN A 36 8.684 3.388 3.195 1.00 0.00 C ATOM 573 CD GLN A 36 10.015 3.098 2.530 1.00 0.00 C ATOM 574 OE1 GLN A 36 11.067 3.167 3.166 1.00 0.00 O ATOM 575 NE2 GLN A 36 9.976 2.772 1.244 1.00 0.00 N ATOM 0 H GLN A 36 8.657 0.986 3.376 1.00 0.00 H new ATOM 0 HA GLN A 36 8.339 1.711 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.236 4.036 5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.766 3.196 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.920 2.738 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.388 4.414 2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.081 2.727 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.841 2.567 0.744 1.00 0.00 H new ATOM 584 N LEU A 37 5.994 3.020 5.770 1.00 0.00 N ATOM 585 CA LEU A 37 4.559 3.245 5.757 1.00 0.00 C ATOM 586 C LEU A 37 4.258 4.721 5.568 1.00 0.00 C ATOM 587 O LEU A 37 4.329 5.508 6.512 1.00 0.00 O ATOM 588 CB LEU A 37 3.925 2.741 7.052 1.00 0.00 C ATOM 589 CG LEU A 37 2.433 2.415 6.959 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.223 0.920 6.769 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.701 2.903 8.201 1.00 0.00 C ATOM 0 H LEU A 37 6.521 3.679 6.343 1.00 0.00 H new ATOM 0 HA LEU A 37 4.132 2.689 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.457 1.846 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.069 3.495 7.826 1.00 0.00 H new ATOM 0 HG LEU A 37 2.022 2.932 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.156 0.708 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.713 0.598 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.650 0.382 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.641 2.662 8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.115 2.414 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.822 3.982 8.294 1.00 0.00 H new ATOM 603 N VAL A 38 3.923 5.088 4.342 1.00 0.00 N ATOM 604 CA VAL A 38 3.614 6.476 4.029 1.00 0.00 C ATOM 605 C VAL A 38 2.194 6.817 4.455 1.00 0.00 C ATOM 606 O VAL A 38 1.273 6.851 3.640 1.00 0.00 O ATOM 607 CB VAL A 38 3.786 6.789 2.526 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.230 7.156 2.221 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.337 5.617 1.663 1.00 0.00 C ATOM 0 H VAL A 38 3.858 4.449 3.550 1.00 0.00 H new ATOM 0 HA VAL A 38 4.324 7.089 4.585 1.00 0.00 H new ATOM 0 HB VAL A 38 3.152 7.642 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.333 7.373 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.512 8.035 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.881 6.323 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.470 5.868 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.934 4.738 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.285 5.406 1.855 1.00 0.00 H new ATOM 619 N ASP A 39 2.028 7.071 5.746 1.00 0.00 N ATOM 620 CA ASP A 39 0.720 7.411 6.295 1.00 0.00 C ATOM 621 C ASP A 39 0.387 8.873 6.019 1.00 0.00 C ATOM 622 O ASP A 39 1.034 9.780 6.543 1.00 0.00 O ATOM 623 CB ASP A 39 0.690 7.137 7.801 1.00 0.00 C ATOM 624 CG ASP A 39 -0.356 6.107 8.181 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.557 6.374 7.970 1.00 0.00 O ATOM 626 OD2 ASP A 39 0.028 5.032 8.690 1.00 0.00 O ATOM 0 H ASP A 39 2.781 7.048 6.433 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.031 6.788 5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.672 6.790 8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.490 8.067 8.333 1.00 0.00 H new ATOM 631 N ILE A 40 -0.624 9.091 5.184 1.00 0.00 N ATOM 632 CA ILE A 40 -1.046 10.439 4.823 1.00 0.00 C ATOM 633 C ILE A 40 -1.786 11.131 5.967 1.00 0.00 C ATOM 634 O ILE A 40 -2.091 12.320 5.886 1.00 0.00 O ATOM 635 CB ILE A 40 -1.951 10.424 3.576 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.156 9.509 3.802 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.163 9.977 2.352 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.267 9.714 2.796 1.00 0.00 C ATOM 0 H ILE A 40 -1.167 8.349 4.744 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.136 10.999 4.606 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.315 11.436 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.826 8.471 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.548 9.679 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.817 9.972 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.335 10.665 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.772 8.973 2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.088 9.032 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.624 10.742 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.891 9.515 1.793 1.00 0.00 H new ATOM 650 N SER A 41 -2.071 10.386 7.032 1.00 0.00 N ATOM 651 CA SER A 41 -2.773 10.942 8.183 1.00 0.00 C ATOM 652 C SER A 41 -1.862 11.871 8.980 1.00 0.00 C ATOM 653 O SER A 41 -2.329 12.807 9.629 1.00 0.00 O ATOM 654 CB SER A 41 -3.287 9.818 9.084 1.00 0.00 C ATOM 655 OG SER A 41 -4.356 9.119 8.470 1.00 0.00 O ATOM 0 H SER A 41 -1.827 9.400 7.121 1.00 0.00 H new ATOM 0 HA SER A 41 -3.620 11.521 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.475 9.125 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.619 10.234 10.035 1.00 0.00 H new ATOM 0 HG SER A 41 -5.208 9.436 8.837 1.00 0.00 H new ATOM 661 N GLN A 42 -0.561 11.606 8.927 1.00 0.00 N ATOM 662 CA GLN A 42 0.415 12.417 9.645 1.00 0.00 C ATOM 663 C GLN A 42 0.438 13.846 9.111 1.00 0.00 C ATOM 664 O GLN A 42 0.192 14.799 9.850 1.00 0.00 O ATOM 665 CB GLN A 42 1.808 11.795 9.530 1.00 0.00 C ATOM 666 CG GLN A 42 2.787 12.297 10.579 1.00 0.00 C ATOM 667 CD GLN A 42 3.783 13.292 10.019 1.00 0.00 C ATOM 668 OE1 GLN A 42 4.505 12.996 9.066 1.00 0.00 O ATOM 669 NE2 GLN A 42 3.828 14.481 10.609 1.00 0.00 N ATOM 0 H GLN A 42 -0.158 10.835 8.394 1.00 0.00 H new ATOM 0 HA GLN A 42 0.122 12.447 10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.721 10.712 9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.210 12.006 8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.233 12.763 11.394 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.325 11.449 11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.211 14.684 11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.479 15.192 10.275 1.00 0.00 H new ATOM 678 N ASP A 43 0.738 13.989 7.823 1.00 0.00 N ATOM 679 CA ASP A 43 0.794 15.302 7.193 1.00 0.00 C ATOM 680 C ASP A 43 -0.383 15.503 6.244 1.00 0.00 C ATOM 681 O ASP A 43 -0.716 14.618 5.456 1.00 0.00 O ATOM 682 CB ASP A 43 2.111 15.469 6.432 1.00 0.00 C ATOM 683 CG ASP A 43 2.658 16.880 6.523 1.00 0.00 C ATOM 684 OD1 ASP A 43 2.117 17.772 5.836 1.00 0.00 O ATOM 685 OD2 ASP A 43 3.626 17.093 7.282 1.00 0.00 O ATOM 0 H ASP A 43 0.946 13.211 7.197 1.00 0.00 H new ATOM 0 HA ASP A 43 0.736 16.056 7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.848 14.771 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.957 15.209 5.385 1.00 0.00 H new ATOM 690 N ASN A 44 -1.007 16.673 6.325 1.00 0.00 N ATOM 691 CA ASN A 44 -2.147 16.993 5.473 1.00 0.00 C ATOM 692 C ASN A 44 -1.725 17.121 4.010 1.00 0.00 C ATOM 693 O ASN A 44 -2.561 17.071 3.109 1.00 0.00 O ATOM 694 CB ASN A 44 -2.808 18.291 5.939 1.00 0.00 C ATOM 695 CG ASN A 44 -3.602 18.109 7.218 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.826 17.980 7.189 1.00 0.00 O ATOM 697 ND2 ASN A 44 -2.907 18.098 8.349 1.00 0.00 N ATOM 0 H ASN A 44 -0.743 17.416 6.972 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.864 16.176 5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.041 19.050 6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.468 18.661 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.387 17.979 9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.893 18.208 8.326 1.00 0.00 H new ATOM 704 N ALA A 45 -0.425 17.286 3.780 1.00 0.00 N ATOM 705 CA ALA A 45 0.098 17.420 2.425 1.00 0.00 C ATOM 706 C ALA A 45 0.132 16.073 1.714 1.00 0.00 C ATOM 707 O ALA A 45 -0.047 15.998 0.499 1.00 0.00 O ATOM 708 CB ALA A 45 1.488 18.040 2.454 1.00 0.00 C ATOM 0 H ALA A 45 0.283 17.330 4.513 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.569 18.078 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.866 18.134 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.437 19.027 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.158 17.404 3.032 1.00 0.00 H new ATOM 714 N LEU A 46 0.357 15.011 2.479 1.00 0.00 N ATOM 715 CA LEU A 46 0.407 13.668 1.917 1.00 0.00 C ATOM 716 C LEU A 46 -0.944 13.288 1.322 1.00 0.00 C ATOM 717 O LEU A 46 -1.015 12.576 0.320 1.00 0.00 O ATOM 718 CB LEU A 46 0.813 12.657 2.990 1.00 0.00 C ATOM 719 CG LEU A 46 2.278 12.725 3.424 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.410 12.437 4.912 1.00 0.00 C ATOM 721 CD2 LEU A 46 3.118 11.749 2.615 1.00 0.00 C ATOM 0 H LEU A 46 0.507 15.054 3.487 1.00 0.00 H new ATOM 0 HA LEU A 46 1.153 13.655 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.183 12.808 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.606 11.653 2.618 1.00 0.00 H new ATOM 0 HG LEU A 46 2.645 13.734 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.460 12.490 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.840 13.174 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.025 11.440 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.158 11.810 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.749 10.735 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.050 12.001 1.557 1.00 0.00 H new ATOM 733 N ARG A 47 -2.013 13.776 1.943 1.00 0.00 N ATOM 734 CA ARG A 47 -3.364 13.495 1.475 1.00 0.00 C ATOM 735 C ARG A 47 -3.583 14.079 0.083 1.00 0.00 C ATOM 736 O ARG A 47 -4.045 13.388 -0.826 1.00 0.00 O ATOM 737 CB ARG A 47 -4.395 14.067 2.450 1.00 0.00 C ATOM 738 CG ARG A 47 -5.715 13.313 2.451 1.00 0.00 C ATOM 739 CD ARG A 47 -6.827 14.140 3.077 1.00 0.00 C ATOM 740 NE ARG A 47 -8.085 13.402 3.145 1.00 0.00 N ATOM 741 CZ ARG A 47 -8.837 13.119 2.083 1.00 0.00 C ATOM 742 NH1 ARG A 47 -8.462 13.512 0.872 1.00 0.00 N ATOM 743 NH2 ARG A 47 -9.968 12.442 2.233 1.00 0.00 N ATOM 0 H ARG A 47 -1.969 14.368 2.772 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.489 12.413 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.977 14.053 3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.582 15.111 2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.986 13.051 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.601 12.378 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.531 14.445 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.972 15.051 2.497 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.407 13.085 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.594 14.034 0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.042 13.292 0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.261 12.138 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.544 12.225 1.420 1.00 0.00 H new ATOM 757 N ASP A 48 -3.243 15.356 -0.078 1.00 0.00 N ATOM 758 CA ASP A 48 -3.399 16.027 -1.364 1.00 0.00 C ATOM 759 C ASP A 48 -2.219 15.744 -2.285 1.00 0.00 C ATOM 760 O ASP A 48 -2.170 16.217 -3.420 1.00 0.00 O ATOM 761 CB ASP A 48 -3.571 17.535 -1.167 1.00 0.00 C ATOM 762 CG ASP A 48 -5.017 17.974 -1.292 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.788 17.284 -1.991 1.00 0.00 O ATOM 764 OD2 ASP A 48 -5.377 19.008 -0.691 1.00 0.00 O ATOM 0 H ASP A 48 -2.860 15.943 0.663 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.297 15.630 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.193 17.816 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.968 18.066 -1.904 1.00 0.00 H new ATOM 769 N GLU A 49 -1.284 14.960 -1.785 1.00 0.00 N ATOM 770 CA GLU A 49 -0.101 14.583 -2.547 1.00 0.00 C ATOM 771 C GLU A 49 -0.265 13.180 -3.123 1.00 0.00 C ATOM 772 O GLU A 49 0.280 12.862 -4.180 1.00 0.00 O ATOM 773 CB GLU A 49 1.146 14.644 -1.662 1.00 0.00 C ATOM 774 CG GLU A 49 2.426 14.262 -2.387 1.00 0.00 C ATOM 775 CD GLU A 49 3.667 14.529 -1.558 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.606 15.394 -0.659 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.700 13.872 -1.807 1.00 0.00 O ATOM 0 H GLU A 49 -1.319 14.566 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 49 0.018 15.289 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.251 15.654 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.009 13.979 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.389 13.205 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.491 14.820 -3.321 1.00 0.00 H new ATOM 784 N MET A 50 -1.025 12.348 -2.417 1.00 0.00 N ATOM 785 CA MET A 50 -1.271 10.978 -2.850 1.00 0.00 C ATOM 786 C MET A 50 -2.408 10.928 -3.865 1.00 0.00 C ATOM 787 O MET A 50 -2.352 10.176 -4.838 1.00 0.00 O ATOM 788 CB MET A 50 -1.609 10.095 -1.646 1.00 0.00 C ATOM 789 CG MET A 50 -1.324 8.618 -1.872 1.00 0.00 C ATOM 790 SD MET A 50 -2.787 7.583 -1.669 1.00 0.00 S ATOM 791 CE MET A 50 -3.949 8.425 -2.741 1.00 0.00 C ATOM 0 H MET A 50 -1.482 12.600 -1.541 1.00 0.00 H new ATOM 0 HA MET A 50 -0.365 10.603 -3.325 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.038 10.438 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.664 10.219 -1.400 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.924 8.480 -2.876 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.554 8.291 -1.174 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.889 7.873 -2.764 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.129 9.432 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.538 8.484 -3.749 1.00 0.00 H new ATOM 801 N ARG A 51 -3.438 11.735 -3.631 1.00 0.00 N ATOM 802 CA ARG A 51 -4.589 11.785 -4.526 1.00 0.00 C ATOM 803 C ARG A 51 -4.163 12.172 -5.939 1.00 0.00 C ATOM 804 O ARG A 51 -4.642 11.603 -6.920 1.00 0.00 O ATOM 805 CB ARG A 51 -5.628 12.779 -4.001 1.00 0.00 C ATOM 806 CG ARG A 51 -6.796 12.118 -3.288 1.00 0.00 C ATOM 807 CD ARG A 51 -6.406 11.652 -1.895 1.00 0.00 C ATOM 808 NE ARG A 51 -7.521 11.010 -1.201 1.00 0.00 N ATOM 809 CZ ARG A 51 -7.375 10.198 -0.157 1.00 0.00 C ATOM 810 NH1 ARG A 51 -6.166 9.926 0.319 1.00 0.00 N ATOM 811 NH2 ARG A 51 -8.442 9.656 0.414 1.00 0.00 N ATOM 0 H ARG A 51 -3.499 12.363 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.035 10.791 -4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.141 13.473 -3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.009 13.368 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.626 12.821 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.146 11.267 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.573 10.953 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.058 12.504 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.466 11.195 -1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.342 10.340 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.061 9.303 1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.374 9.862 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.331 9.033 1.214 1.00 0.00 H new ATOM 825 N ALA A 52 -3.260 13.142 -6.035 1.00 0.00 N ATOM 826 CA ALA A 52 -2.769 13.604 -7.327 1.00 0.00 C ATOM 827 C ALA A 52 -1.719 12.651 -7.886 1.00 0.00 C ATOM 828 O ALA A 52 -1.763 12.283 -9.060 1.00 0.00 O ATOM 829 CB ALA A 52 -2.197 15.008 -7.202 1.00 0.00 C ATOM 0 H ALA A 52 -2.853 13.623 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.609 13.626 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.834 15.341 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.974 15.688 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.372 15.003 -6.489 1.00 0.00 H new ATOM 835 N LEU A 53 -0.777 12.253 -7.038 1.00 0.00 N ATOM 836 CA LEU A 53 0.284 11.339 -7.446 1.00 0.00 C ATOM 837 C LEU A 53 -0.293 9.984 -7.843 1.00 0.00 C ATOM 838 O LEU A 53 0.217 9.320 -8.745 1.00 0.00 O ATOM 839 CB LEU A 53 1.299 11.165 -6.314 1.00 0.00 C ATOM 840 CG LEU A 53 2.418 10.161 -6.595 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.301 10.649 -7.733 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.244 9.921 -5.341 1.00 0.00 C ATOM 0 H LEU A 53 -0.726 12.549 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 53 0.789 11.767 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.748 12.134 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.768 10.851 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 53 1.966 9.216 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.091 9.921 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.700 10.769 -8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.746 11.607 -7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.036 9.204 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.686 10.861 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.603 9.525 -4.553 1.00 0.00 H new ATOM 854 N ALA A 54 -1.359 9.581 -7.161 1.00 0.00 N ATOM 855 CA ALA A 54 -2.009 8.305 -7.438 1.00 0.00 C ATOM 856 C ALA A 54 -2.930 8.396 -8.653 1.00 0.00 C ATOM 857 O ALA A 54 -3.486 7.390 -9.094 1.00 0.00 O ATOM 858 CB ALA A 54 -2.790 7.840 -6.218 1.00 0.00 C ATOM 0 H ALA A 54 -1.792 10.120 -6.411 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.231 7.576 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.271 6.887 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.110 7.719 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.549 8.581 -5.968 1.00 0.00 H new ATOM 864 N GLY A 55 -3.093 9.603 -9.192 1.00 0.00 N ATOM 865 CA GLY A 55 -3.951 9.786 -10.348 1.00 0.00 C ATOM 866 C GLY A 55 -5.369 9.315 -10.093 1.00 0.00 C ATOM 867 O GLY A 55 -5.955 8.610 -10.914 1.00 0.00 O ATOM 0 H GLY A 55 -2.647 10.454 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.965 10.840 -10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.536 9.240 -11.195 1.00 0.00 H new ATOM 871 N ASN A 56 -5.921 9.708 -8.949 1.00 0.00 N ATOM 872 CA ASN A 56 -7.277 9.326 -8.578 1.00 0.00 C ATOM 873 C ASN A 56 -7.652 9.932 -7.247 1.00 0.00 C ATOM 874 O ASN A 56 -7.089 9.591 -6.207 1.00 0.00 O ATOM 875 CB ASN A 56 -7.420 7.804 -8.522 1.00 0.00 C ATOM 876 CG ASN A 56 -8.845 7.368 -8.243 1.00 0.00 C ATOM 877 OD1 ASN A 56 -9.800 7.986 -8.714 1.00 0.00 O ATOM 878 ND2 ASN A 56 -8.995 6.297 -7.472 1.00 0.00 N ATOM 0 H ASN A 56 -5.447 10.293 -8.261 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.955 9.707 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.090 7.376 -9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.763 7.408 -7.747 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.930 5.956 -7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.175 5.815 -7.103 1.00 0.00 H new ATOM 885 N PRO A 57 -8.614 10.858 -7.270 1.00 0.00 N ATOM 886 CA PRO A 57 -9.081 11.542 -6.084 1.00 0.00 C ATOM 887 C PRO A 57 -10.191 10.782 -5.366 1.00 0.00 C ATOM 888 O PRO A 57 -10.985 11.368 -4.630 1.00 0.00 O ATOM 889 CB PRO A 57 -9.600 12.871 -6.640 1.00 0.00 C ATOM 890 CG PRO A 57 -9.536 12.778 -8.132 1.00 0.00 C ATOM 891 CD PRO A 57 -9.324 11.336 -8.458 1.00 0.00 C ATOM 0 HA PRO A 57 -8.297 11.651 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.622 13.054 -6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.994 13.702 -6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.457 13.146 -8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.722 13.388 -8.524 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.266 10.809 -8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.735 11.205 -9.366 1.00 0.00 H new ATOM 899 N LYS A 58 -10.232 9.475 -5.580 1.00 0.00 N ATOM 900 CA LYS A 58 -11.233 8.621 -4.952 1.00 0.00 C ATOM 901 C LYS A 58 -10.588 7.367 -4.364 1.00 0.00 C ATOM 902 O LYS A 58 -11.282 6.463 -3.898 1.00 0.00 O ATOM 903 CB LYS A 58 -12.307 8.228 -5.967 1.00 0.00 C ATOM 904 CG LYS A 58 -12.909 9.411 -6.706 1.00 0.00 C ATOM 905 CD LYS A 58 -14.381 9.188 -7.010 1.00 0.00 C ATOM 906 CE LYS A 58 -14.570 8.340 -8.258 1.00 0.00 C ATOM 907 NZ LYS A 58 -14.611 9.170 -9.493 1.00 0.00 N ATOM 0 H LYS A 58 -9.580 8.979 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.697 9.183 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.874 7.539 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.102 7.690 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.793 10.313 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.365 9.575 -7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.859 8.699 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.876 10.150 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.757 7.618 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.495 7.770 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.741 8.554 -10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.403 9.842 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.718 9.695 -9.589 1.00 0.00 H new ATOM 921 N ALA A 59 -9.257 7.316 -4.388 1.00 0.00 N ATOM 922 CA ALA A 59 -8.524 6.173 -3.858 1.00 0.00 C ATOM 923 C ALA A 59 -8.795 5.989 -2.367 1.00 0.00 C ATOM 924 O ALA A 59 -9.761 6.532 -1.831 1.00 0.00 O ATOM 925 CB ALA A 59 -7.033 6.343 -4.113 1.00 0.00 C ATOM 0 H ALA A 59 -8.666 8.055 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.870 5.277 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.495 5.483 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.853 6.416 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.681 7.251 -3.623 1.00 0.00 H new ATOM 931 N THR A 60 -7.937 5.220 -1.704 1.00 0.00 N ATOM 932 CA THR A 60 -8.082 4.963 -0.277 1.00 0.00 C ATOM 933 C THR A 60 -6.715 4.768 0.375 1.00 0.00 C ATOM 934 O THR A 60 -5.727 4.511 -0.311 1.00 0.00 O ATOM 935 CB THR A 60 -8.954 3.728 -0.047 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.666 2.725 -1.004 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.437 4.021 -0.122 1.00 0.00 C ATOM 0 H THR A 60 -7.133 4.763 -2.134 1.00 0.00 H new ATOM 0 HA THR A 60 -8.565 5.827 0.180 1.00 0.00 H new ATOM 0 HB THR A 60 -8.716 3.391 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.233 1.943 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.998 3.103 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.702 4.756 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.680 4.416 -1.108 1.00 0.00 H new ATOM 945 N PRO A 61 -6.639 4.898 1.712 1.00 0.00 N ATOM 946 CA PRO A 61 -5.395 4.748 2.463 1.00 0.00 C ATOM 947 C PRO A 61 -4.480 3.648 1.911 1.00 0.00 C ATOM 948 O PRO A 61 -3.281 3.866 1.740 1.00 0.00 O ATOM 949 CB PRO A 61 -5.865 4.396 3.883 1.00 0.00 C ATOM 950 CG PRO A 61 -7.356 4.576 3.903 1.00 0.00 C ATOM 951 CD PRO A 61 -7.756 5.219 2.602 1.00 0.00 C ATOM 0 HA PRO A 61 -4.792 5.655 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.596 3.371 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.388 5.042 4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.856 3.615 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.655 5.199 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.697 4.817 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.889 6.296 2.709 1.00 0.00 H new ATOM 959 N PRO A 62 -5.026 2.449 1.626 1.00 0.00 N ATOM 960 CA PRO A 62 -4.235 1.330 1.099 1.00 0.00 C ATOM 961 C PRO A 62 -3.690 1.607 -0.300 1.00 0.00 C ATOM 962 O PRO A 62 -4.411 1.494 -1.291 1.00 0.00 O ATOM 963 CB PRO A 62 -5.226 0.159 1.058 1.00 0.00 C ATOM 964 CG PRO A 62 -6.379 0.585 1.902 1.00 0.00 C ATOM 965 CD PRO A 62 -6.439 2.080 1.797 1.00 0.00 C ATOM 0 HA PRO A 62 -3.358 1.139 1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.543 -0.051 0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.772 -0.753 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.307 0.132 1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.242 0.272 2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.047 2.402 0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.870 2.532 2.690 1.00 0.00 H new ATOM 973 N GLN A 63 -2.412 1.963 -0.372 1.00 0.00 N ATOM 974 CA GLN A 63 -1.765 2.249 -1.648 1.00 0.00 C ATOM 975 C GLN A 63 -0.257 2.044 -1.546 1.00 0.00 C ATOM 976 O GLN A 63 0.433 2.786 -0.848 1.00 0.00 O ATOM 977 CB GLN A 63 -2.067 3.681 -2.096 1.00 0.00 C ATOM 978 CG GLN A 63 -3.537 3.931 -2.387 1.00 0.00 C ATOM 979 CD GLN A 63 -4.060 3.083 -3.530 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.287 2.481 -4.275 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.379 3.031 -3.673 1.00 0.00 N ATOM 0 H GLN A 63 -1.802 2.061 0.440 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.163 1.557 -2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.736 4.372 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.485 3.903 -2.991 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.121 3.724 -1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.682 4.985 -2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.982 3.546 -3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.789 2.476 -4.424 1.00 0.00 H new ATOM 990 N ILE A 64 0.247 1.031 -2.241 1.00 0.00 N ATOM 991 CA ILE A 64 1.673 0.728 -2.223 1.00 0.00 C ATOM 992 C ILE A 64 2.388 1.356 -3.415 1.00 0.00 C ATOM 993 O ILE A 64 1.927 1.258 -4.552 1.00 0.00 O ATOM 994 CB ILE A 64 1.925 -0.791 -2.231 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.071 -1.478 -1.163 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.401 -1.085 -2.007 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.311 -1.858 -1.648 1.00 0.00 C ATOM 0 H ILE A 64 -0.310 0.406 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 64 2.072 1.151 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 64 1.640 -1.186 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.586 -2.375 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.976 -0.815 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.563 -2.163 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.988 -0.624 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.711 -0.679 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.861 -2.340 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.844 -0.962 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.225 -2.546 -2.489 1.00 0.00 H new ATOM 1009 N VAL A 65 3.519 2.000 -3.145 1.00 0.00 N ATOM 1010 CA VAL A 65 4.304 2.643 -4.190 1.00 0.00 C ATOM 1011 C VAL A 65 5.663 1.967 -4.341 1.00 0.00 C ATOM 1012 O VAL A 65 6.308 1.617 -3.352 1.00 0.00 O ATOM 1013 CB VAL A 65 4.508 4.143 -3.894 1.00 0.00 C ATOM 1014 CG1 VAL A 65 5.336 4.811 -4.984 1.00 0.00 C ATOM 1015 CG2 VAL A 65 3.164 4.839 -3.736 1.00 0.00 C ATOM 0 H VAL A 65 3.912 2.090 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 65 3.747 2.542 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 65 5.058 4.232 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.463 5.868 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.313 4.332 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.825 4.712 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.324 5.897 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.589 4.734 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.614 4.386 -2.911 1.00 0.00 H new ATOM 1025 N ASN A 66 6.092 1.787 -5.585 1.00 0.00 N ATOM 1026 CA ASN A 66 7.373 1.153 -5.869 1.00 0.00 C ATOM 1027 C ASN A 66 8.457 2.200 -6.107 1.00 0.00 C ATOM 1028 O ASN A 66 9.056 2.258 -7.181 1.00 0.00 O ATOM 1029 CB ASN A 66 7.252 0.236 -7.089 1.00 0.00 C ATOM 1030 CG ASN A 66 8.158 -0.976 -6.993 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.170 -1.066 -7.688 1.00 0.00 O ATOM 1032 ND2 ASN A 66 7.797 -1.917 -6.129 1.00 0.00 N ATOM 0 H ASN A 66 5.570 2.072 -6.414 1.00 0.00 H new ATOM 0 HA ASN A 66 7.656 0.556 -5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.218 -0.094 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.497 0.799 -7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.367 -2.756 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.950 -1.801 -5.573 1.00 0.00 H new ATOM 1039 N GLY A 67 8.702 3.027 -5.096 1.00 0.00 N ATOM 1040 CA GLY A 67 9.712 4.062 -5.213 1.00 0.00 C ATOM 1041 C GLY A 67 9.112 5.449 -5.315 1.00 0.00 C ATOM 1042 O GLY A 67 9.224 6.251 -4.388 1.00 0.00 O ATOM 0 H GLY A 67 8.219 2.999 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.374 4.019 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.325 3.869 -6.093 1.00 0.00 H new ATOM 1046 N ASP A 68 8.472 5.732 -6.444 1.00 0.00 N ATOM 1047 CA ASP A 68 7.850 7.032 -6.663 1.00 0.00 C ATOM 1048 C ASP A 68 6.777 6.947 -7.743 1.00 0.00 C ATOM 1049 O ASP A 68 6.508 7.923 -8.442 1.00 0.00 O ATOM 1050 CB ASP A 68 8.907 8.065 -7.059 1.00 0.00 C ATOM 1051 CG ASP A 68 9.813 7.570 -8.169 1.00 0.00 C ATOM 1052 OD1 ASP A 68 10.425 6.494 -8.000 1.00 0.00 O ATOM 1053 OD2 ASP A 68 9.911 8.258 -9.206 1.00 0.00 O ATOM 0 H ASP A 68 8.370 5.079 -7.221 1.00 0.00 H new ATOM 0 HA ASP A 68 7.378 7.343 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.412 8.982 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.510 8.316 -6.187 1.00 0.00 H new ATOM 1058 N GLN A 69 6.164 5.774 -7.874 1.00 0.00 N ATOM 1059 CA GLN A 69 5.120 5.568 -8.868 1.00 0.00 C ATOM 1060 C GLN A 69 3.948 4.799 -8.272 1.00 0.00 C ATOM 1061 O GLN A 69 4.088 4.121 -7.255 1.00 0.00 O ATOM 1062 CB GLN A 69 5.677 4.816 -10.077 1.00 0.00 C ATOM 1063 CG GLN A 69 5.880 5.694 -11.301 1.00 0.00 C ATOM 1064 CD GLN A 69 4.601 5.904 -12.087 1.00 0.00 C ATOM 1065 OE1 GLN A 69 4.238 5.088 -12.934 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.909 7.003 -11.809 1.00 0.00 N ATOM 0 H GLN A 69 6.373 4.954 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 69 4.763 6.546 -9.192 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.630 4.362 -9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.998 4.003 -10.333 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.273 6.661 -10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.630 5.240 -11.949 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.247 7.653 -11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.040 7.197 -12.306 1.00 0.00 H new ATOM 1075 N TYR A 70 2.794 4.907 -8.914 1.00 0.00 N ATOM 1076 CA TYR A 70 1.597 4.221 -8.448 1.00 0.00 C ATOM 1077 C TYR A 70 1.615 2.756 -8.870 1.00 0.00 C ATOM 1078 O TYR A 70 1.284 2.423 -10.008 1.00 0.00 O ATOM 1079 CB TYR A 70 0.347 4.909 -8.996 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.920 4.554 -8.251 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.951 4.536 -6.862 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.085 4.238 -8.938 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.108 4.212 -6.179 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.246 3.914 -8.262 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.252 3.903 -6.883 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.407 3.580 -6.207 1.00 0.00 O ATOM 0 H TYR A 70 2.661 5.463 -9.759 1.00 0.00 H new ATOM 0 HA TYR A 70 1.579 4.266 -7.359 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.491 5.989 -8.956 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.227 4.642 -10.046 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.057 4.779 -6.307 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.084 4.246 -10.018 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.116 4.201 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.144 3.671 -8.811 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.295 2.714 -5.763 1.00 0.00 H new ATOM 1096 N CYS A 71 2.009 1.885 -7.947 1.00 0.00 N ATOM 1097 CA CYS A 71 2.077 0.455 -8.226 1.00 0.00 C ATOM 1098 C CYS A 71 0.694 -0.185 -8.140 1.00 0.00 C ATOM 1099 O CYS A 71 0.182 -0.709 -9.129 1.00 0.00 O ATOM 1100 CB CYS A 71 3.030 -0.231 -7.246 1.00 0.00 C ATOM 1101 SG CYS A 71 4.018 -1.555 -7.982 1.00 0.00 S ATOM 0 H CYS A 71 2.286 2.144 -7.000 1.00 0.00 H new ATOM 0 HA CYS A 71 2.454 0.326 -9.241 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.701 0.517 -6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.450 -0.641 -6.419 1.00 0.00 H new ATOM 0 HG CYS A 71 3.430 -2.697 -7.783 1.00 0.00 H new ATOM 1107 N GLY A 72 0.095 -0.140 -6.955 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.222 -0.722 -6.770 1.00 0.00 C ATOM 1109 C GLY A 72 -1.822 -0.393 -5.418 1.00 0.00 C ATOM 1110 O GLY A 72 -1.290 0.435 -4.679 1.00 0.00 O ATOM 0 H GLY A 72 0.497 0.288 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.887 -0.363 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.155 -1.804 -6.880 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.935 -1.043 -5.095 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.614 -0.818 -3.824 1.00 0.00 C ATOM 1116 C ASP A 73 -3.852 -2.138 -3.094 1.00 0.00 C ATOM 1117 O ASP A 73 -3.288 -3.169 -3.458 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.943 -0.094 -4.058 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.951 -0.953 -4.798 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -5.531 -1.929 -5.454 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -7.160 -0.649 -4.721 1.00 0.00 O ATOM 0 H ASP A 73 -3.387 -1.731 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.976 -0.194 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.363 0.207 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.761 0.818 -4.627 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.691 -2.098 -2.062 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.003 -3.291 -1.282 1.00 0.00 C ATOM 1128 C TYR A 74 -5.543 -4.404 -2.175 1.00 0.00 C ATOM 1129 O TYR A 74 -5.085 -5.545 -2.108 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.023 -2.958 -0.190 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.461 -4.158 0.621 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -5.661 -4.663 1.637 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -7.675 -4.784 0.368 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -6.057 -5.760 2.379 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -8.079 -5.880 1.106 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.267 -6.364 2.110 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.666 -7.456 2.847 1.00 0.00 O ATOM 0 H TYR A 74 -5.167 -1.252 -1.747 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.081 -3.640 -0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.593 -2.214 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.900 -2.503 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.714 -4.191 1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.313 -4.408 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.422 -6.142 3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.026 -6.355 0.898 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.542 -7.761 2.532 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.523 -4.065 -3.005 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.135 -5.026 -3.906 1.00 0.00 C ATOM 1149 C GLU A 75 -6.105 -5.632 -4.856 1.00 0.00 C ATOM 1150 O GLU A 75 -6.101 -6.840 -5.092 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.244 -4.342 -4.700 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.521 -5.156 -4.783 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.827 -5.625 -6.193 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -9.758 -4.795 -7.123 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.135 -6.823 -6.366 1.00 0.00 O ATOM 0 H GLU A 75 -6.911 -3.124 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.555 -5.837 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.466 -3.378 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.885 -4.140 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.438 -6.022 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.354 -4.556 -4.415 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.236 -4.787 -5.403 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.211 -5.234 -6.327 1.00 0.00 C ATOM 1164 C LEU A 76 -3.219 -6.169 -5.640 1.00 0.00 C ATOM 1165 O LEU A 76 -3.042 -7.315 -6.055 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.489 -4.020 -6.897 1.00 0.00 C ATOM 1167 CG LEU A 76 -2.591 -4.304 -8.093 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -2.274 -3.012 -8.826 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.321 -4.997 -7.633 1.00 0.00 C ATOM 0 H LEU A 76 -5.226 -3.784 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.684 -5.792 -7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.233 -3.279 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.885 -3.572 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.111 -4.967 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.631 -3.226 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.200 -2.555 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.763 -2.326 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.683 -5.197 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.790 -4.355 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.576 -5.937 -7.144 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.576 -5.675 -4.585 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.602 -6.468 -3.839 1.00 0.00 C ATOM 1183 C PHE A 77 -2.183 -7.832 -3.466 1.00 0.00 C ATOM 1184 O PHE A 77 -1.581 -8.873 -3.738 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.168 -5.719 -2.577 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.212 -6.492 -1.711 1.00 0.00 C ATOM 1187 CD1 PHE A 77 1.153 -6.447 -1.948 1.00 0.00 C ATOM 1188 CD2 PHE A 77 -0.681 -7.263 -0.659 1.00 0.00 C ATOM 1189 CE1 PHE A 77 2.032 -7.156 -1.152 1.00 0.00 C ATOM 1190 CE2 PHE A 77 0.194 -7.974 0.140 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.552 -7.921 -0.107 1.00 0.00 C ATOM 0 H PHE A 77 -2.712 -4.729 -4.227 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.732 -6.628 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.701 -4.778 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.053 -5.469 -1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.534 -5.851 -2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.742 -7.309 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.093 -7.112 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.184 -8.571 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.237 -8.477 0.516 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.359 -7.816 -2.845 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.025 -9.047 -2.437 1.00 0.00 C ATOM 1203 C VAL A 78 -4.418 -9.881 -3.651 1.00 0.00 C ATOM 1204 O VAL A 78 -4.378 -11.111 -3.611 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.284 -8.755 -1.598 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.873 -10.047 -1.050 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.963 -7.787 -0.469 1.00 0.00 C ATOM 0 H VAL A 78 -3.870 -6.964 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.316 -9.606 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.027 -8.289 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.761 -9.821 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.144 -10.703 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.136 -10.544 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.865 -7.593 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.201 -8.222 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.593 -6.851 -0.887 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.794 -9.204 -4.732 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.190 -9.884 -5.960 1.00 0.00 C ATOM 1219 C GLU A 79 -4.003 -10.603 -6.600 1.00 0.00 C ATOM 1220 O GLU A 79 -4.177 -11.422 -7.502 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.787 -8.886 -6.954 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.173 -9.513 -8.285 1.00 0.00 C ATOM 1223 CD GLU A 79 -6.785 -8.512 -9.245 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -7.699 -7.771 -8.827 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -6.350 -8.469 -10.415 1.00 0.00 O ATOM 0 H GLU A 79 -4.833 -8.186 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.944 -10.627 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.669 -8.425 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.066 -8.088 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.289 -9.957 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.882 -10.322 -8.109 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.796 -10.288 -6.138 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.590 -10.901 -6.677 1.00 0.00 C ATOM 1234 C ALA A 80 -1.209 -12.166 -5.911 1.00 0.00 C ATOM 1235 O ALA A 80 -1.137 -13.251 -6.486 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.444 -9.901 -6.655 1.00 0.00 C ATOM 0 H ALA A 80 -2.629 -9.612 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.793 -11.192 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.454 -10.368 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.706 -9.033 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.257 -9.584 -5.629 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.961 -12.021 -4.611 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.579 -13.157 -3.770 1.00 0.00 C ATOM 1244 C VAL A 81 -1.538 -14.333 -3.949 1.00 0.00 C ATOM 1245 O VAL A 81 -1.140 -15.494 -3.861 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.542 -12.769 -2.277 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.015 -13.922 -1.435 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.300 -11.520 -2.062 1.00 0.00 C ATOM 0 H VAL A 81 -1.017 -11.131 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 81 0.420 -13.455 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.561 -12.550 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.003 -13.628 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.665 -14.789 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.994 -14.177 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.311 -11.267 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.319 -11.705 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.126 -10.692 -2.629 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.803 -14.016 -4.187 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.838 -15.031 -4.367 1.00 0.00 C ATOM 1260 C GLU A 82 -3.505 -15.998 -5.501 1.00 0.00 C ATOM 1261 O GLU A 82 -3.623 -17.214 -5.344 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.177 -14.356 -4.652 1.00 0.00 C ATOM 1263 CG GLU A 82 -5.074 -13.217 -5.653 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.889 -13.465 -6.908 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.908 -14.619 -7.385 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -6.509 -12.505 -7.413 1.00 0.00 O ATOM 0 H GLU A 82 -3.142 -13.057 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.895 -15.608 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.878 -15.100 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.590 -13.974 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.411 -12.294 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.029 -13.072 -5.926 1.00 0.00 H new ATOM 1273 N GLN A 83 -3.099 -15.457 -6.646 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.762 -16.280 -7.802 1.00 0.00 C ATOM 1275 C GLN A 83 -1.254 -16.453 -7.927 1.00 0.00 C ATOM 1276 O GLN A 83 -0.756 -16.956 -8.934 1.00 0.00 O ATOM 1277 CB GLN A 83 -3.321 -15.645 -9.077 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.977 -16.644 -10.017 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.630 -16.391 -11.472 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -2.998 -17.222 -12.124 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -4.041 -15.238 -11.987 1.00 0.00 N ATOM 0 H GLN A 83 -2.996 -14.454 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.210 -17.264 -7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.051 -14.883 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.513 -15.138 -9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.667 -17.652 -9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.059 -16.598 -9.892 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.562 -14.578 -11.409 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.835 -15.012 -12.960 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.532 -16.020 -6.900 1.00 0.00 N ATOM 1291 CA ASN A 84 0.918 -16.106 -6.886 1.00 0.00 C ATOM 1292 C ASN A 84 1.518 -15.038 -7.788 1.00 0.00 C ATOM 1293 O ASN A 84 2.673 -15.134 -8.205 1.00 0.00 O ATOM 1294 CB ASN A 84 1.392 -17.497 -7.319 1.00 0.00 C ATOM 1295 CG ASN A 84 2.525 -18.016 -6.456 1.00 0.00 C ATOM 1296 OD1 ASN A 84 2.362 -18.218 -5.252 1.00 0.00 O ATOM 1297 ND2 ASN A 84 3.683 -18.234 -7.068 1.00 0.00 N ATOM 0 H ASN A 84 -0.934 -15.603 -6.061 1.00 0.00 H new ATOM 0 HA ASN A 84 1.258 -15.937 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.555 -18.194 -7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.718 -17.459 -8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.482 -18.583 -6.538 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.774 -18.053 -8.068 1.00 0.00 H new ATOM 1304 N THR A 85 0.724 -14.012 -8.077 1.00 0.00 N ATOM 1305 CA THR A 85 1.170 -12.916 -8.919 1.00 0.00 C ATOM 1306 C THR A 85 1.965 -11.903 -8.102 1.00 0.00 C ATOM 1307 O THR A 85 2.703 -11.090 -8.659 1.00 0.00 O ATOM 1308 CB THR A 85 -0.025 -12.232 -9.585 1.00 0.00 C ATOM 1309 OG1 THR A 85 -1.147 -13.097 -9.615 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.253 -11.792 -11.006 1.00 0.00 C ATOM 0 H THR A 85 -0.234 -13.920 -7.738 1.00 0.00 H new ATOM 0 HA THR A 85 1.817 -13.323 -9.695 1.00 0.00 H new ATOM 0 HB THR A 85 -0.225 -11.348 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.901 -12.640 -10.043 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.635 -11.315 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.082 -11.084 -11.012 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.513 -12.660 -11.611 1.00 0.00 H new ATOM 1318 N LEU A 86 1.799 -11.960 -6.776 1.00 0.00 N ATOM 1319 CA LEU A 86 2.489 -11.056 -5.854 1.00 0.00 C ATOM 1320 C LEU A 86 3.867 -10.644 -6.373 1.00 0.00 C ATOM 1321 O LEU A 86 4.273 -9.491 -6.224 1.00 0.00 O ATOM 1322 CB LEU A 86 2.633 -11.719 -4.484 1.00 0.00 C ATOM 1323 CG LEU A 86 3.380 -10.890 -3.440 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.529 -9.716 -2.977 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.783 -11.761 -2.258 1.00 0.00 C ATOM 0 H LEU A 86 1.185 -12.632 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 86 1.884 -10.153 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.638 -11.947 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.151 -12.670 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 86 4.285 -10.493 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.079 -9.139 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.293 -9.079 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.605 -10.088 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.314 -11.155 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.891 -12.188 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.433 -12.565 -2.603 1.00 0.00 H new ATOM 1337 N GLN A 87 4.581 -11.585 -6.987 1.00 0.00 N ATOM 1338 CA GLN A 87 5.908 -11.298 -7.527 1.00 0.00 C ATOM 1339 C GLN A 87 5.875 -10.040 -8.385 1.00 0.00 C ATOM 1340 O GLN A 87 6.612 -9.089 -8.136 1.00 0.00 O ATOM 1341 CB GLN A 87 6.424 -12.476 -8.359 1.00 0.00 C ATOM 1342 CG GLN A 87 7.531 -12.091 -9.332 1.00 0.00 C ATOM 1343 CD GLN A 87 8.233 -13.295 -9.928 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.126 -13.562 -11.125 1.00 0.00 O ATOM 1345 NE2 GLN A 87 8.957 -14.031 -9.092 1.00 0.00 N ATOM 0 H GLN A 87 4.266 -12.546 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 87 6.584 -11.139 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.794 -13.251 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.594 -12.908 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.109 -11.488 -10.136 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.262 -11.468 -8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.018 -13.773 -8.107 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.452 -14.854 -9.435 1.00 0.00 H new ATOM 1354 N GLU A 88 5.009 -10.046 -9.396 1.00 0.00 N ATOM 1355 CA GLU A 88 4.867 -8.907 -10.300 1.00 0.00 C ATOM 1356 C GLU A 88 4.833 -7.589 -9.529 1.00 0.00 C ATOM 1357 O GLU A 88 5.174 -6.536 -10.066 1.00 0.00 O ATOM 1358 CB GLU A 88 3.596 -9.055 -11.140 1.00 0.00 C ATOM 1359 CG GLU A 88 3.866 -9.233 -12.626 1.00 0.00 C ATOM 1360 CD GLU A 88 3.523 -7.996 -13.433 1.00 0.00 C ATOM 1361 OE1 GLU A 88 2.319 -7.735 -13.637 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.459 -7.288 -13.861 1.00 0.00 O ATOM 0 H GLU A 88 4.393 -10.830 -9.610 1.00 0.00 H new ATOM 0 HA GLU A 88 5.734 -8.892 -10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.028 -9.912 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.970 -8.174 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.918 -9.479 -12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.286 -10.078 -12.998 1.00 0.00 H new ATOM 1369 N PHE A 89 4.413 -7.654 -8.270 1.00 0.00 N ATOM 1370 CA PHE A 89 4.330 -6.470 -7.430 1.00 0.00 C ATOM 1371 C PHE A 89 5.564 -6.326 -6.545 1.00 0.00 C ATOM 1372 O PHE A 89 5.952 -5.216 -6.183 1.00 0.00 O ATOM 1373 CB PHE A 89 3.071 -6.537 -6.564 1.00 0.00 C ATOM 1374 CG PHE A 89 2.550 -5.196 -6.139 1.00 0.00 C ATOM 1375 CD1 PHE A 89 1.730 -4.461 -6.978 1.00 0.00 C ATOM 1376 CD2 PHE A 89 2.873 -4.675 -4.897 1.00 0.00 C ATOM 1377 CE1 PHE A 89 1.241 -3.230 -6.587 1.00 0.00 C ATOM 1378 CE2 PHE A 89 2.387 -3.445 -4.500 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.570 -2.721 -5.346 1.00 0.00 C ATOM 0 H PHE A 89 4.125 -8.518 -7.810 1.00 0.00 H new ATOM 0 HA PHE A 89 4.281 -5.597 -8.080 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.290 -7.060 -7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.285 -7.130 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.470 -4.855 -7.949 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.512 -5.237 -4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.602 -2.666 -7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.646 -3.050 -3.529 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.189 -1.759 -5.038 1.00 0.00 H new ATOM 1389 N LEU A 90 6.174 -7.452 -6.195 1.00 0.00 N ATOM 1390 CA LEU A 90 7.359 -7.441 -5.347 1.00 0.00 C ATOM 1391 C LEU A 90 8.635 -7.486 -6.183 1.00 0.00 C ATOM 1392 O LEU A 90 9.341 -6.485 -6.306 1.00 0.00 O ATOM 1393 CB LEU A 90 7.327 -8.623 -4.376 1.00 0.00 C ATOM 1394 CG LEU A 90 6.718 -8.318 -3.006 1.00 0.00 C ATOM 1395 CD1 LEU A 90 7.634 -7.404 -2.207 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.341 -7.690 -3.162 1.00 0.00 C ATOM 0 H LEU A 90 5.869 -8.381 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 90 7.357 -6.511 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.763 -9.435 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.346 -8.983 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 90 6.608 -9.256 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.185 -7.198 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.599 -7.890 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.775 -6.468 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.923 -7.480 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.427 -6.761 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.685 -8.379 -3.695 1.00 0.00 H new ATOM 1408 N LYS A 91 8.928 -8.651 -6.750 1.00 0.00 N ATOM 1409 CA LYS A 91 10.125 -8.820 -7.568 1.00 0.00 C ATOM 1410 C LYS A 91 9.887 -8.370 -9.007 1.00 0.00 C ATOM 1411 O LYS A 91 10.837 -8.183 -9.766 1.00 0.00 O ATOM 1412 CB LYS A 91 10.585 -10.280 -7.555 1.00 0.00 C ATOM 1413 CG LYS A 91 10.446 -10.958 -6.201 1.00 0.00 C ATOM 1414 CD LYS A 91 10.924 -12.399 -6.254 1.00 0.00 C ATOM 1415 CE LYS A 91 10.028 -13.314 -5.433 1.00 0.00 C ATOM 1416 NZ LYS A 91 10.163 -14.739 -5.843 1.00 0.00 N ATOM 0 H LYS A 91 8.356 -9.490 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 91 10.905 -8.193 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.008 -10.839 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.628 -10.325 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.022 -10.409 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.404 -10.930 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.943 -12.739 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.946 -12.458 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.279 -13.215 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.990 -13.001 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.337 -15.276 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.218 -14.798 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.028 -15.140 -5.427 1.00 0.00 H new ATOM 1430 N LEU A 92 8.619 -8.190 -9.379 1.00 0.00 N ATOM 1431 CA LEU A 92 8.273 -7.756 -10.727 1.00 0.00 C ATOM 1432 C LEU A 92 8.748 -8.757 -11.776 1.00 0.00 C ATOM 1433 O LEU A 92 7.959 -9.544 -12.298 1.00 0.00 O ATOM 1434 CB LEU A 92 8.870 -6.374 -10.999 1.00 0.00 C ATOM 1435 CG LEU A 92 8.145 -5.211 -10.314 1.00 0.00 C ATOM 1436 CD1 LEU A 92 6.944 -4.777 -11.139 1.00 0.00 C ATOM 1437 CD2 LEU A 92 7.713 -5.600 -8.904 1.00 0.00 C ATOM 0 H LEU A 92 7.818 -8.338 -8.765 1.00 0.00 H new ATOM 0 HA LEU A 92 7.187 -7.698 -10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.911 -6.374 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.870 -6.200 -12.075 1.00 0.00 H new ATOM 0 HG LEU A 92 8.836 -4.372 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.439 -3.950 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.277 -4.456 -12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.253 -5.614 -11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.200 -4.760 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.039 -6.455 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.591 -5.864 -8.314 1.00 0.00 H new ATOM 1449 N ALA A 93 10.039 -8.722 -12.080 1.00 0.00 N ATOM 1450 CA ALA A 93 10.617 -9.625 -13.067 1.00 0.00 C ATOM 1451 C ALA A 93 11.918 -10.238 -12.558 1.00 0.00 C ATOM 1452 O ALA A 93 12.030 -11.456 -12.422 1.00 0.00 O ATOM 1453 CB ALA A 93 10.855 -8.892 -14.378 1.00 0.00 C ATOM 0 H ALA A 93 10.706 -8.077 -11.657 1.00 0.00 H new ATOM 0 HA ALA A 93 9.908 -10.435 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.287 -9.579 -15.106 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.908 -8.509 -14.758 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.541 -8.062 -14.211 1.00 0.00 H new ATOM 1459 N LEU A 94 12.899 -9.386 -12.281 1.00 0.00 N ATOM 1460 CA LEU A 94 14.193 -9.845 -11.789 1.00 0.00 C ATOM 1461 C LEU A 94 14.869 -10.757 -12.808 1.00 0.00 C ATOM 1462 O LEU A 94 14.788 -11.981 -12.710 1.00 0.00 O ATOM 1463 CB LEU A 94 14.024 -10.583 -10.458 1.00 0.00 C ATOM 1464 CG LEU A 94 14.237 -9.724 -9.210 1.00 0.00 C ATOM 1465 CD1 LEU A 94 14.110 -10.570 -7.953 1.00 0.00 C ATOM 1466 CD2 LEU A 94 15.594 -9.040 -9.261 1.00 0.00 C ATOM 0 H LEU A 94 12.823 -8.375 -12.389 1.00 0.00 H new ATOM 0 HA LEU A 94 14.826 -8.971 -11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.021 -11.009 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.725 -11.417 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 94 13.465 -8.954 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 94 14.264 -9.943 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.115 -11.013 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.859 -11.361 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 15.729 -8.433 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.380 -9.794 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.647 -8.402 -10.143 1.00 0.00 H new ATOM 1478 N GLU A 95 15.535 -10.151 -13.786 1.00 0.00 N ATOM 1479 CA GLU A 95 16.226 -10.909 -14.823 1.00 0.00 C ATOM 1480 C GLU A 95 17.715 -11.024 -14.512 1.00 0.00 C ATOM 1481 O GLU A 95 18.224 -10.184 -13.740 1.00 0.00 O ATOM 1482 CB GLU A 95 16.024 -10.245 -16.187 1.00 0.00 C ATOM 1483 CG GLU A 95 14.941 -10.900 -17.029 1.00 0.00 C ATOM 1484 CD GLU A 95 15.507 -11.758 -18.143 1.00 0.00 C ATOM 1485 OE1 GLU A 95 16.453 -12.529 -17.877 1.00 0.00 O ATOM 1486 OE2 GLU A 95 15.006 -11.657 -19.283 1.00 0.00 O ATOM 0 H GLU A 95 15.611 -9.138 -13.882 1.00 0.00 H new ATOM 0 HA GLU A 95 15.803 -11.913 -14.850 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.771 -9.196 -16.037 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.965 -10.270 -16.737 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.309 -11.514 -16.388 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.303 -10.128 -17.459 1.00 0.00 H new TER 1493 GLU A 95