USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 150:sc= 0.869 USER MOD Set 1.2: A 70 SER OG : rot 144:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -1.63 (180deg=-1.74) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 154:sc= -0.15 (180deg=-0.956) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.81) USER MOD Single : A 39 MET CE :methyl -175:sc= 0 (180deg=-0.0142) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.977! USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0216 (180deg=-0.303) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0191 (180deg=-0.363) USER MOD Single : A 49 SER OG : rot -83:sc= -0.175! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= -0.175 (180deg=-0.793) USER MOD Single : A 64 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.82) USER MOD Single : A 71 THR OG1 : rot -79:sc= -0.319 USER MOD Single : A 74 GLN : amide:sc= -2.58 K(o=-2.6,f=-4.1!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.703 0.631 -9.828 1.00 0.00 N ATOM 2 CA MET A 1 70.427 -0.068 -10.151 1.00 0.00 C ATOM 3 C MET A 1 70.561 -1.550 -9.835 1.00 0.00 C ATOM 4 O MET A 1 70.062 -2.397 -10.576 1.00 0.00 O ATOM 5 CB MET A 1 70.113 0.114 -11.635 1.00 0.00 C ATOM 6 CG MET A 1 69.788 1.579 -11.916 1.00 0.00 C ATOM 7 SD MET A 1 69.398 1.776 -13.672 1.00 0.00 S ATOM 8 CE MET A 1 69.292 3.583 -13.678 1.00 0.00 C ATOM 0 H1 MET A 1 71.563 1.659 -9.899 1.00 0.00 H new ATOM 0 H2 MET A 1 71.997 0.387 -8.861 1.00 0.00 H new ATOM 0 H3 MET A 1 72.440 0.335 -10.499 1.00 0.00 H new ATOM 0 HA MET A 1 69.619 0.354 -9.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.964 -0.202 -12.238 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.270 -0.516 -11.918 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.944 1.900 -11.306 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.635 2.210 -11.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 69.055 3.930 -14.684 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.510 3.904 -12.990 1.00 0.00 H new ATOM 0 HE3 MET A 1 70.247 4.005 -13.364 1.00 0.00 H new ATOM 20 N TYR A 2 71.234 -1.854 -8.732 1.00 0.00 N ATOM 21 CA TYR A 2 71.426 -3.242 -8.324 1.00 0.00 C ATOM 22 C TYR A 2 70.149 -3.778 -7.691 1.00 0.00 C ATOM 23 O TYR A 2 69.530 -3.118 -6.858 1.00 0.00 O ATOM 24 CB TYR A 2 72.581 -3.341 -7.322 1.00 0.00 C ATOM 25 CG TYR A 2 73.078 -4.779 -7.230 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.400 -5.715 -6.436 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.227 -5.179 -7.939 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.859 -7.032 -6.342 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.686 -6.501 -7.841 1.00 0.00 C ATOM 30 CZ TYR A 2 74.003 -7.425 -7.043 1.00 0.00 C ATOM 31 OH TYR A 2 74.453 -8.726 -6.953 1.00 0.00 O ATOM 0 H TYR A 2 71.653 -1.165 -8.108 1.00 0.00 H new ATOM 0 HA TYR A 2 71.667 -3.838 -9.204 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.396 -2.686 -7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.251 -2.999 -6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.516 -5.416 -5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.755 -4.468 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.330 -7.746 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.569 -6.806 -8.383 1.00 0.00 H new ATOM 0 HH TYR A 2 75.258 -8.832 -7.502 1.00 0.00 H new ATOM 41 N GLU A 3 69.759 -4.980 -8.102 1.00 0.00 N ATOM 42 CA GLU A 3 68.546 -5.615 -7.587 1.00 0.00 C ATOM 43 C GLU A 3 68.908 -6.798 -6.699 1.00 0.00 C ATOM 44 O GLU A 3 69.671 -7.675 -7.101 1.00 0.00 O ATOM 45 CB GLU A 3 67.680 -6.097 -8.759 1.00 0.00 C ATOM 46 CG GLU A 3 67.283 -4.900 -9.636 1.00 0.00 C ATOM 47 CD GLU A 3 68.423 -4.535 -10.585 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.475 -5.142 -10.479 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.222 -3.660 -11.410 1.00 0.00 O ATOM 0 H GLU A 3 70.265 -5.537 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 3 67.989 -4.887 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.229 -6.829 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.787 -6.596 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.388 -5.142 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.038 -4.045 -9.006 1.00 0.00 H new ATOM 56 N PHE A 4 68.344 -6.824 -5.492 1.00 0.00 N ATOM 57 CA PHE A 4 68.610 -7.922 -4.556 1.00 0.00 C ATOM 58 C PHE A 4 67.543 -8.999 -4.729 1.00 0.00 C ATOM 59 O PHE A 4 66.355 -8.751 -4.518 1.00 0.00 O ATOM 60 CB PHE A 4 68.642 -7.382 -3.101 1.00 0.00 C ATOM 61 CG PHE A 4 68.296 -8.458 -2.070 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.822 -9.758 -2.165 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.431 -8.138 -1.004 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.484 -10.721 -1.206 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.098 -9.105 -0.054 1.00 0.00 C ATOM 66 CZ PHE A 4 67.622 -10.396 -0.155 1.00 0.00 C ATOM 0 H PHE A 4 67.708 -6.109 -5.140 1.00 0.00 H new ATOM 0 HA PHE A 4 69.584 -8.364 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.633 -6.983 -2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.939 -6.555 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.486 -10.014 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 4 67.024 -7.141 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.891 -11.719 -1.279 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.434 -8.855 0.760 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.361 -11.143 0.580 1.00 0.00 H new ATOM 76 N LYS A 5 67.978 -10.191 -5.136 1.00 0.00 N ATOM 77 CA LYS A 5 67.065 -11.313 -5.364 1.00 0.00 C ATOM 78 C LYS A 5 67.427 -12.473 -4.449 1.00 0.00 C ATOM 79 O LYS A 5 68.599 -12.681 -4.139 1.00 0.00 O ATOM 80 CB LYS A 5 67.159 -11.763 -6.824 1.00 0.00 C ATOM 81 CG LYS A 5 66.662 -10.639 -7.735 1.00 0.00 C ATOM 82 CD LYS A 5 66.797 -11.059 -9.200 1.00 0.00 C ATOM 83 CE LYS A 5 66.293 -9.918 -10.086 1.00 0.00 C ATOM 84 NZ LYS A 5 66.409 -10.301 -11.521 1.00 0.00 N ATOM 0 H LYS A 5 68.959 -10.406 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 5 66.046 -10.992 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.189 -12.018 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.562 -12.662 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.621 -10.408 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.237 -9.731 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.837 -11.287 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.222 -11.966 -9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.255 -9.690 -9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.871 -9.014 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.065 -9.521 -12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.405 -10.497 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.839 -11.152 -11.700 1.00 0.00 H new ATOM 98 N LEU A 6 66.419 -13.227 -4.028 1.00 0.00 N ATOM 99 CA LEU A 6 66.656 -14.376 -3.142 1.00 0.00 C ATOM 100 C LEU A 6 67.425 -15.474 -3.910 1.00 0.00 C ATOM 101 O LEU A 6 66.870 -16.065 -4.838 1.00 0.00 O ATOM 102 CB LEU A 6 65.310 -14.962 -2.602 1.00 0.00 C ATOM 103 CG LEU A 6 65.081 -14.539 -1.132 1.00 0.00 C ATOM 104 CD1 LEU A 6 63.596 -14.685 -0.771 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.917 -15.428 -0.197 1.00 0.00 C ATOM 0 H LEU A 6 65.442 -13.073 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 6 67.246 -14.034 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.482 -14.613 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.326 -16.049 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 6 65.384 -13.499 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.442 -14.385 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 6 62.998 -14.050 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.291 -15.724 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.752 -15.125 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.619 -16.469 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 6 66.974 -15.321 -0.442 1.00 0.00 H new ATOM 117 N PRO A 7 68.663 -15.790 -3.560 1.00 0.00 N ATOM 118 CA PRO A 7 69.417 -16.864 -4.280 1.00 0.00 C ATOM 119 C PRO A 7 68.674 -18.200 -4.263 1.00 0.00 C ATOM 120 O PRO A 7 67.995 -18.527 -3.293 1.00 0.00 O ATOM 121 CB PRO A 7 70.750 -16.972 -3.518 1.00 0.00 C ATOM 122 CG PRO A 7 70.900 -15.671 -2.800 1.00 0.00 C ATOM 123 CD PRO A 7 69.481 -15.195 -2.481 1.00 0.00 C ATOM 0 HA PRO A 7 69.549 -16.622 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.737 -17.808 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.581 -17.142 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.484 -15.795 -1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.425 -14.943 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.156 -15.535 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.414 -14.107 -2.481 1.00 0.00 H new ATOM 131 N ASP A 8 68.821 -18.949 -5.359 1.00 0.00 N ATOM 132 CA ASP A 8 68.185 -20.263 -5.529 1.00 0.00 C ATOM 133 C ASP A 8 66.845 -20.111 -6.242 1.00 0.00 C ATOM 134 O ASP A 8 65.918 -19.518 -5.700 1.00 0.00 O ATOM 135 CB ASP A 8 67.978 -20.972 -4.180 1.00 0.00 C ATOM 136 CG ASP A 8 67.794 -22.472 -4.394 1.00 0.00 C ATOM 137 OD1 ASP A 8 67.448 -22.858 -5.498 1.00 0.00 O ATOM 138 OD2 ASP A 8 68.013 -23.212 -3.449 1.00 0.00 O ATOM 0 H ASP A 8 69.386 -18.662 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 8 68.853 -20.876 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 8 68.836 -20.793 -3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 8 67.105 -20.560 -3.675 1.00 0.00 H new ATOM 143 N ILE A 9 66.751 -20.648 -7.464 1.00 0.00 N ATOM 144 CA ILE A 9 65.519 -20.566 -8.256 1.00 0.00 C ATOM 145 C ILE A 9 65.045 -21.960 -8.653 1.00 0.00 C ATOM 146 O ILE A 9 65.841 -22.895 -8.737 1.00 0.00 O ATOM 147 CB ILE A 9 65.765 -19.719 -9.514 1.00 0.00 C ATOM 148 CG1 ILE A 9 66.902 -20.333 -10.350 1.00 0.00 C ATOM 149 CG2 ILE A 9 66.144 -18.291 -9.105 1.00 0.00 C ATOM 150 CD1 ILE A 9 66.965 -19.639 -11.715 1.00 0.00 C ATOM 0 H ILE A 9 67.514 -21.144 -7.926 1.00 0.00 H new ATOM 0 HA ILE A 9 64.745 -20.096 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 9 64.854 -19.698 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 9 67.853 -20.220 -9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 9 66.735 -21.402 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 9 66.318 -17.691 -9.998 1.00 0.00 H new ATOM 0 HG22 ILE A 9 65.333 -17.851 -8.525 1.00 0.00 H new ATOM 0 HG23 ILE A 9 67.051 -18.314 -8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.770 -20.074 -12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 9 66.017 -19.774 -12.236 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.152 -18.575 -11.574 1.00 0.00 H new ATOM 162 N GLY A 10 63.747 -22.092 -8.901 1.00 0.00 N ATOM 163 CA GLY A 10 63.184 -23.378 -9.292 1.00 0.00 C ATOM 164 C GLY A 10 63.289 -24.388 -8.155 1.00 0.00 C ATOM 165 O GLY A 10 62.768 -24.167 -7.061 1.00 0.00 O ATOM 0 H GLY A 10 63.070 -21.331 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 10 62.139 -23.251 -9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 10 63.708 -23.757 -10.169 1.00 0.00 H new ATOM 169 N GLU A 11 63.962 -25.503 -8.424 1.00 0.00 N ATOM 170 CA GLU A 11 64.124 -26.544 -7.416 1.00 0.00 C ATOM 171 C GLU A 11 64.868 -26.001 -6.198 1.00 0.00 C ATOM 172 O GLU A 11 65.757 -25.160 -6.322 1.00 0.00 O ATOM 173 CB GLU A 11 64.901 -27.728 -8.005 1.00 0.00 C ATOM 174 CG GLU A 11 64.886 -28.906 -7.022 1.00 0.00 C ATOM 175 CD GLU A 11 63.485 -29.504 -6.951 1.00 0.00 C ATOM 176 OE1 GLU A 11 62.650 -29.097 -7.740 1.00 0.00 O ATOM 177 OE2 GLU A 11 63.273 -30.367 -6.115 1.00 0.00 O ATOM 0 H GLU A 11 64.400 -25.707 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 11 63.134 -26.878 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 11 64.457 -28.029 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 11 65.929 -27.431 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 11 65.600 -29.666 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 11 65.198 -28.570 -6.033 1.00 0.00 H new ATOM 184 N GLY A 12 64.499 -26.497 -5.018 1.00 0.00 N ATOM 185 CA GLY A 12 65.134 -26.065 -3.772 1.00 0.00 C ATOM 186 C GLY A 12 64.336 -24.953 -3.103 1.00 0.00 C ATOM 187 O GLY A 12 63.986 -25.054 -1.928 1.00 0.00 O ATOM 0 H GLY A 12 63.766 -27.196 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 12 65.221 -26.913 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 12 66.146 -25.716 -3.978 1.00 0.00 H new ATOM 191 N VAL A 13 64.040 -23.896 -3.859 1.00 0.00 N ATOM 192 CA VAL A 13 63.272 -22.764 -3.330 1.00 0.00 C ATOM 193 C VAL A 13 62.091 -22.464 -4.254 1.00 0.00 C ATOM 194 O VAL A 13 62.259 -22.334 -5.467 1.00 0.00 O ATOM 195 CB VAL A 13 64.193 -21.533 -3.217 1.00 0.00 C ATOM 196 CG1 VAL A 13 63.371 -20.270 -2.928 1.00 0.00 C ATOM 197 CG2 VAL A 13 65.208 -21.746 -2.084 1.00 0.00 C ATOM 0 H VAL A 13 64.318 -23.798 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 13 62.885 -23.011 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 13 64.718 -21.406 -4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 13 64.038 -19.411 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 13 62.659 -20.106 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 13 62.831 -20.394 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 13 65.857 -20.873 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 13 64.678 -21.887 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 13 65.811 -22.629 -2.297 1.00 0.00 H new ATOM 207 N THR A 14 60.894 -22.362 -3.675 1.00 0.00 N ATOM 208 CA THR A 14 59.685 -22.084 -4.460 1.00 0.00 C ATOM 209 C THR A 14 58.858 -20.965 -3.834 1.00 0.00 C ATOM 210 O THR A 14 57.921 -20.461 -4.453 1.00 0.00 O ATOM 211 CB THR A 14 58.825 -23.346 -4.548 1.00 0.00 C ATOM 212 OG1 THR A 14 58.504 -23.793 -3.239 1.00 0.00 O ATOM 213 CG2 THR A 14 59.589 -24.440 -5.297 1.00 0.00 C ATOM 0 H THR A 14 60.733 -22.466 -2.673 1.00 0.00 H new ATOM 0 HA THR A 14 60.000 -21.769 -5.455 1.00 0.00 H new ATOM 0 HB THR A 14 57.905 -23.121 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 14 57.952 -24.601 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 14 58.973 -25.337 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 14 59.827 -24.094 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 14 60.512 -24.669 -4.765 1.00 0.00 H new ATOM 221 N GLU A 15 59.192 -20.580 -2.606 1.00 0.00 N ATOM 222 CA GLU A 15 58.435 -19.528 -1.933 1.00 0.00 C ATOM 223 C GLU A 15 59.186 -18.986 -0.724 1.00 0.00 C ATOM 224 O GLU A 15 59.856 -19.735 -0.015 1.00 0.00 O ATOM 225 CB GLU A 15 57.082 -20.092 -1.492 1.00 0.00 C ATOM 226 CG GLU A 15 56.227 -18.992 -0.870 1.00 0.00 C ATOM 227 CD GLU A 15 54.865 -19.562 -0.489 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.835 -20.603 0.148 1.00 0.00 O ATOM 229 OE2 GLU A 15 53.868 -18.962 -0.856 1.00 0.00 O ATOM 0 H GLU A 15 59.964 -20.970 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 15 58.291 -18.704 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.564 -20.524 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.233 -20.896 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.723 -18.586 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.105 -18.169 -1.574 1.00 0.00 H new ATOM 236 N GLY A 16 59.057 -17.675 -0.482 1.00 0.00 N ATOM 237 CA GLY A 16 59.718 -17.044 0.662 1.00 0.00 C ATOM 238 C GLY A 16 58.761 -16.089 1.377 1.00 0.00 C ATOM 239 O GLY A 16 57.838 -15.554 0.764 1.00 0.00 O ATOM 0 H GLY A 16 58.506 -17.038 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.063 -17.809 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.600 -16.499 0.324 1.00 0.00 H new ATOM 243 N GLU A 17 58.987 -15.878 2.676 1.00 0.00 N ATOM 244 CA GLU A 17 58.137 -14.986 3.468 1.00 0.00 C ATOM 245 C GLU A 17 58.996 -14.134 4.400 1.00 0.00 C ATOM 246 O GLU A 17 60.006 -14.601 4.929 1.00 0.00 O ATOM 247 CB GLU A 17 57.138 -15.812 4.283 1.00 0.00 C ATOM 248 CG GLU A 17 56.213 -14.878 5.068 1.00 0.00 C ATOM 249 CD GLU A 17 55.178 -15.686 5.841 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.028 -16.862 5.548 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.544 -15.115 6.714 1.00 0.00 O ATOM 0 H GLU A 17 59.748 -16.311 3.200 1.00 0.00 H new ATOM 0 HA GLU A 17 57.589 -14.326 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.551 -16.448 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 17 57.671 -16.472 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.799 -14.270 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.712 -14.192 4.385 1.00 0.00 H new ATOM 258 N ILE A 18 58.599 -12.875 4.586 1.00 0.00 N ATOM 259 CA ILE A 18 59.347 -11.946 5.439 1.00 0.00 C ATOM 260 C ILE A 18 58.679 -11.755 6.801 1.00 0.00 C ATOM 261 O ILE A 18 57.530 -11.319 6.886 1.00 0.00 O ATOM 262 CB ILE A 18 59.463 -10.593 4.717 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.387 -10.737 3.489 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.006 -9.520 5.664 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.870 -10.634 3.889 1.00 0.00 C ATOM 0 H ILE A 18 57.764 -12.473 4.159 1.00 0.00 H new ATOM 0 HA ILE A 18 60.336 -12.367 5.621 1.00 0.00 H new ATOM 0 HB ILE A 18 58.471 -10.286 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.205 -11.696 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.150 -9.962 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.080 -8.571 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.332 -9.409 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.993 -9.815 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.494 -10.739 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.056 -9.664 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.111 -11.425 4.599 1.00 0.00 H new ATOM 277 N VAL A 19 59.420 -12.069 7.867 1.00 0.00 N ATOM 278 CA VAL A 19 58.908 -11.915 9.229 1.00 0.00 C ATOM 279 C VAL A 19 59.309 -10.564 9.830 1.00 0.00 C ATOM 280 O VAL A 19 58.512 -9.940 10.529 1.00 0.00 O ATOM 281 CB VAL A 19 59.430 -13.042 10.119 1.00 0.00 C ATOM 282 CG1 VAL A 19 58.907 -14.382 9.603 1.00 0.00 C ATOM 283 CG2 VAL A 19 60.959 -13.053 10.100 1.00 0.00 C ATOM 0 H VAL A 19 60.372 -12.430 7.813 1.00 0.00 H new ATOM 0 HA VAL A 19 57.820 -11.960 9.179 1.00 0.00 H new ATOM 0 HB VAL A 19 59.084 -12.882 11.140 1.00 0.00 H new ATOM 0 HG11 VAL A 19 59.279 -15.186 10.237 1.00 0.00 H new ATOM 0 HG12 VAL A 19 57.817 -14.379 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 19 59.251 -14.538 8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 19 61.325 -13.859 10.736 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.309 -13.209 9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.334 -12.099 10.470 1.00 0.00 H new ATOM 293 N ARG A 20 60.554 -10.125 9.594 1.00 0.00 N ATOM 294 CA ARG A 20 61.025 -8.850 10.166 1.00 0.00 C ATOM 295 C ARG A 20 61.873 -8.043 9.180 1.00 0.00 C ATOM 296 O ARG A 20 62.606 -8.607 8.365 1.00 0.00 O ATOM 297 CB ARG A 20 61.844 -9.131 11.427 1.00 0.00 C ATOM 298 CG ARG A 20 60.919 -9.641 12.534 1.00 0.00 C ATOM 299 CD ARG A 20 61.737 -9.925 13.794 1.00 0.00 C ATOM 300 NE ARG A 20 60.872 -10.422 14.858 1.00 0.00 N ATOM 301 CZ ARG A 20 60.202 -9.591 15.649 1.00 0.00 C ATOM 302 NH1 ARG A 20 60.279 -8.303 15.462 1.00 0.00 N ATOM 303 NH2 ARG A 20 59.451 -10.065 16.606 1.00 0.00 N ATOM 0 H ARG A 20 61.241 -10.619 9.025 1.00 0.00 H new ATOM 0 HA ARG A 20 60.144 -8.254 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.616 -9.870 11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.352 -8.224 11.753 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.148 -8.901 12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.409 -10.547 12.207 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.513 -10.658 13.574 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.241 -9.016 14.121 1.00 0.00 H new ATOM 0 HE ARG A 20 60.780 -11.428 14.998 1.00 0.00 H new ATOM 0 HH11 ARG A 20 60.855 -7.931 14.707 1.00 0.00 H new ATOM 0 HH12 ARG A 20 59.763 -7.668 16.071 1.00 0.00 H new ATOM 0 HH21 ARG A 20 59.379 -11.073 16.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 58.936 -9.428 17.214 1.00 0.00 H new ATOM 317 N TRP A 21 61.768 -6.710 9.276 1.00 0.00 N ATOM 318 CA TRP A 21 62.532 -5.791 8.413 1.00 0.00 C ATOM 319 C TRP A 21 63.435 -4.900 9.280 1.00 0.00 C ATOM 320 O TRP A 21 63.023 -4.448 10.346 1.00 0.00 O ATOM 321 CB TRP A 21 61.577 -4.883 7.594 1.00 0.00 C ATOM 322 CG TRP A 21 61.185 -5.511 6.287 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.911 -5.786 5.915 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.031 -5.902 5.154 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.923 -6.336 4.646 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.202 -6.426 4.135 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.423 -5.863 4.916 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.729 -6.891 2.922 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.953 -6.325 3.699 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.108 -6.838 2.705 1.00 0.00 C ATOM 0 H TRP A 21 61.159 -6.240 9.946 1.00 0.00 H new ATOM 0 HA TRP A 21 63.134 -6.388 7.728 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.681 -4.677 8.180 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.061 -3.925 7.405 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.030 -5.605 6.512 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.086 -6.639 4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.085 -5.475 5.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.074 -7.287 2.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.019 -6.285 3.528 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.523 -7.192 1.773 1.00 0.00 H new ATOM 341 N ASP A 22 64.660 -4.639 8.806 1.00 0.00 N ATOM 342 CA ASP A 22 65.608 -3.786 9.541 1.00 0.00 C ATOM 343 C ASP A 22 65.925 -2.495 8.785 1.00 0.00 C ATOM 344 O ASP A 22 66.785 -1.723 9.211 1.00 0.00 O ATOM 345 CB ASP A 22 66.907 -4.548 9.814 1.00 0.00 C ATOM 346 CG ASP A 22 67.361 -5.298 8.565 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.639 -5.269 7.583 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.427 -5.888 8.611 1.00 0.00 O ATOM 0 H ASP A 22 65.018 -5.003 7.923 1.00 0.00 H new ATOM 0 HA ASP A 22 65.132 -3.516 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.684 -3.852 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.757 -5.251 10.633 1.00 0.00 H new ATOM 353 N VAL A 23 65.246 -2.257 7.662 1.00 0.00 N ATOM 354 CA VAL A 23 65.491 -1.042 6.871 1.00 0.00 C ATOM 355 C VAL A 23 64.169 -0.406 6.443 1.00 0.00 C ATOM 356 O VAL A 23 63.143 -1.082 6.373 1.00 0.00 O ATOM 357 CB VAL A 23 66.333 -1.392 5.634 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.477 -2.328 6.048 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.454 -2.086 4.568 1.00 0.00 C ATOM 0 H VAL A 23 64.531 -2.877 7.281 1.00 0.00 H new ATOM 0 HA VAL A 23 66.035 -0.325 7.486 1.00 0.00 H new ATOM 0 HB VAL A 23 66.742 -0.476 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.077 -2.579 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.104 -1.831 6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.063 -3.240 6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.062 -2.329 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.033 -3.002 4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.646 -1.417 4.271 1.00 0.00 H new ATOM 369 N LYS A 24 64.205 0.898 6.157 1.00 0.00 N ATOM 370 CA LYS A 24 63.006 1.621 5.734 1.00 0.00 C ATOM 371 C LYS A 24 63.328 2.662 4.663 1.00 0.00 C ATOM 372 O LYS A 24 64.419 3.231 4.629 1.00 0.00 O ATOM 373 CB LYS A 24 62.357 2.304 6.939 1.00 0.00 C ATOM 374 CG LYS A 24 63.326 3.320 7.546 1.00 0.00 C ATOM 375 CD LYS A 24 62.702 3.914 8.811 1.00 0.00 C ATOM 376 CE LYS A 24 63.678 4.903 9.449 1.00 0.00 C ATOM 377 NZ LYS A 24 63.082 5.454 10.699 1.00 0.00 N ATOM 0 H LYS A 24 65.047 1.471 6.211 1.00 0.00 H new ATOM 0 HA LYS A 24 62.313 0.897 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 24 61.437 2.803 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 24 62.082 1.559 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 24 64.274 2.839 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 24 63.542 4.110 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.767 4.418 8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 24 62.460 3.119 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 24 64.622 4.406 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 63.900 5.711 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 63.746 6.127 11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 62.192 5.943 10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 62.892 4.678 11.364 1.00 0.00 H new ATOM 391 N GLU A 25 62.358 2.902 3.787 1.00 0.00 N ATOM 392 CA GLU A 25 62.520 3.873 2.704 1.00 0.00 C ATOM 393 C GLU A 25 62.883 5.256 3.242 1.00 0.00 C ATOM 394 O GLU A 25 62.338 5.698 4.253 1.00 0.00 O ATOM 395 CB GLU A 25 61.216 3.975 1.915 1.00 0.00 C ATOM 396 CG GLU A 25 60.850 2.606 1.355 1.00 0.00 C ATOM 397 CD GLU A 25 61.932 2.107 0.403 1.00 0.00 C ATOM 398 OE1 GLU A 25 62.551 2.933 -0.248 1.00 0.00 O ATOM 399 OE2 GLU A 25 62.120 0.903 0.335 1.00 0.00 O ATOM 0 H GLU A 25 61.450 2.438 3.804 1.00 0.00 H new ATOM 0 HA GLU A 25 63.331 3.529 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.417 4.341 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.326 4.694 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 25 60.721 1.896 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.896 2.665 0.831 1.00 0.00 H new ATOM 406 N GLY A 26 63.793 5.943 2.545 1.00 0.00 N ATOM 407 CA GLY A 26 64.202 7.288 2.942 1.00 0.00 C ATOM 408 C GLY A 26 65.327 7.281 3.977 1.00 0.00 C ATOM 409 O GLY A 26 65.652 8.324 4.545 1.00 0.00 O ATOM 0 H GLY A 26 64.257 5.590 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.529 7.839 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.342 7.819 3.350 1.00 0.00 H new ATOM 413 N ASP A 27 65.909 6.107 4.238 1.00 0.00 N ATOM 414 CA ASP A 27 66.988 5.991 5.233 1.00 0.00 C ATOM 415 C ASP A 27 68.266 5.425 4.617 1.00 0.00 C ATOM 416 O ASP A 27 68.228 4.450 3.864 1.00 0.00 O ATOM 417 CB ASP A 27 66.534 5.076 6.370 1.00 0.00 C ATOM 418 CG ASP A 27 67.620 4.978 7.437 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.694 5.513 7.217 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.359 4.368 8.461 1.00 0.00 O ATOM 0 H ASP A 27 65.657 5.230 3.782 1.00 0.00 H new ATOM 0 HA ASP A 27 67.205 6.991 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.615 5.462 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.308 4.084 5.979 1.00 0.00 H new ATOM 425 N MET A 28 69.396 6.040 4.964 1.00 0.00 N ATOM 426 CA MET A 28 70.707 5.603 4.474 1.00 0.00 C ATOM 427 C MET A 28 71.339 4.651 5.490 1.00 0.00 C ATOM 428 O MET A 28 71.427 4.976 6.674 1.00 0.00 O ATOM 429 CB MET A 28 71.620 6.824 4.276 1.00 0.00 C ATOM 430 CG MET A 28 72.958 6.384 3.675 1.00 0.00 C ATOM 431 SD MET A 28 73.978 7.836 3.315 1.00 0.00 S ATOM 432 CE MET A 28 74.251 8.367 5.025 1.00 0.00 C ATOM 0 H MET A 28 69.432 6.847 5.586 1.00 0.00 H new ATOM 0 HA MET A 28 70.583 5.089 3.521 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.137 7.547 3.619 1.00 0.00 H new ATOM 0 HB3 MET A 28 71.787 7.323 5.231 1.00 0.00 H new ATOM 0 HG2 MET A 28 73.480 5.725 4.369 1.00 0.00 H new ATOM 0 HG3 MET A 28 72.787 5.814 2.762 1.00 0.00 H new ATOM 0 HE1 MET A 28 75.183 8.929 5.087 1.00 0.00 H new ATOM 0 HE2 MET A 28 73.423 8.999 5.346 1.00 0.00 H new ATOM 0 HE3 MET A 28 74.312 7.492 5.672 1.00 0.00 H new ATOM 442 N VAL A 29 71.768 3.466 5.036 1.00 0.00 N ATOM 443 CA VAL A 29 72.377 2.478 5.945 1.00 0.00 C ATOM 444 C VAL A 29 73.709 1.953 5.409 1.00 0.00 C ATOM 445 O VAL A 29 73.840 1.635 4.227 1.00 0.00 O ATOM 446 CB VAL A 29 71.409 1.299 6.178 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.386 0.349 4.971 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.855 0.518 7.421 1.00 0.00 C ATOM 0 H VAL A 29 71.708 3.169 4.062 1.00 0.00 H new ATOM 0 HA VAL A 29 72.573 2.984 6.890 1.00 0.00 H new ATOM 0 HB VAL A 29 70.406 1.703 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.695 -0.471 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.061 0.894 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.386 -0.051 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.174 -0.316 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.865 0.137 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.843 1.178 8.289 1.00 0.00 H new ATOM 458 N GLU A 30 74.685 1.849 6.310 1.00 0.00 N ATOM 459 CA GLU A 30 76.011 1.348 5.958 1.00 0.00 C ATOM 460 C GLU A 30 76.033 -0.180 5.986 1.00 0.00 C ATOM 461 O GLU A 30 75.207 -0.807 6.651 1.00 0.00 O ATOM 462 CB GLU A 30 77.048 1.883 6.952 1.00 0.00 C ATOM 463 CG GLU A 30 77.143 3.412 6.850 1.00 0.00 C ATOM 464 CD GLU A 30 76.023 4.067 7.657 1.00 0.00 C ATOM 465 OE1 GLU A 30 75.187 3.339 8.167 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.017 5.283 7.751 1.00 0.00 O ATOM 0 H GLU A 30 74.581 2.106 7.292 1.00 0.00 H new ATOM 0 HA GLU A 30 76.252 1.689 4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.772 1.596 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 30 78.021 1.437 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 30 78.112 3.749 7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 30 77.076 3.719 5.806 1.00 0.00 H new ATOM 473 N LYS A 31 76.980 -0.769 5.260 1.00 0.00 N ATOM 474 CA LYS A 31 77.108 -2.220 5.198 1.00 0.00 C ATOM 475 C LYS A 31 77.859 -2.748 6.416 1.00 0.00 C ATOM 476 O LYS A 31 78.923 -2.230 6.739 1.00 0.00 O ATOM 477 CB LYS A 31 77.874 -2.611 3.930 1.00 0.00 C ATOM 478 CG LYS A 31 77.854 -4.131 3.758 1.00 0.00 C ATOM 479 CD LYS A 31 78.537 -4.514 2.437 1.00 0.00 C ATOM 480 CE LYS A 31 80.061 -4.399 2.570 1.00 0.00 C ATOM 481 NZ LYS A 31 80.710 -5.098 1.424 1.00 0.00 N ATOM 0 H LYS A 31 77.670 -0.262 4.706 1.00 0.00 H new ATOM 0 HA LYS A 31 76.109 -2.655 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.424 -2.132 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 31 78.903 -2.257 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.366 -4.608 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 31 76.826 -4.493 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.265 -5.533 2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 31 78.185 -3.863 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.358 -3.350 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.390 -4.838 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 81.744 -5.022 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 80.435 -6.101 1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.405 -4.659 0.532 1.00 0.00 H new ATOM 495 N ASP A 32 77.283 -3.777 7.069 1.00 0.00 N ATOM 496 CA ASP A 32 77.863 -4.426 8.264 1.00 0.00 C ATOM 497 C ASP A 32 76.813 -4.535 9.366 1.00 0.00 C ATOM 498 O ASP A 32 76.263 -3.530 9.818 1.00 0.00 O ATOM 499 CB ASP A 32 79.100 -3.691 8.816 1.00 0.00 C ATOM 500 CG ASP A 32 79.585 -4.356 10.106 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.984 -5.339 10.511 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.551 -3.872 10.671 1.00 0.00 O ATOM 0 H ASP A 32 76.394 -4.185 6.780 1.00 0.00 H new ATOM 0 HA ASP A 32 78.189 -5.416 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.897 -3.700 8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.855 -2.647 9.008 1.00 0.00 H new ATOM 507 N GLN A 33 76.565 -5.763 9.800 1.00 0.00 N ATOM 508 CA GLN A 33 75.608 -6.024 10.865 1.00 0.00 C ATOM 509 C GLN A 33 74.212 -5.502 10.505 1.00 0.00 C ATOM 510 O GLN A 33 73.953 -4.305 10.604 1.00 0.00 O ATOM 511 CB GLN A 33 76.070 -5.349 12.156 1.00 0.00 C ATOM 512 CG GLN A 33 75.247 -5.886 13.326 1.00 0.00 C ATOM 513 CD GLN A 33 75.642 -7.328 13.623 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.830 -7.655 13.639 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.718 -8.215 13.867 1.00 0.00 N ATOM 0 H GLN A 33 77.017 -6.598 9.428 1.00 0.00 H new ATOM 0 HA GLN A 33 75.553 -7.104 11.002 1.00 0.00 H new ATOM 0 HB2 GLN A 33 77.130 -5.542 12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.951 -4.268 12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 33 75.408 -5.267 14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.184 -5.833 13.089 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.735 -7.944 13.854 1.00 0.00 H new ATOM 0 HE22 GLN A 33 74.978 -9.180 14.071 1.00 0.00 H new ATOM 524 N ASP A 34 73.309 -6.411 10.123 1.00 0.00 N ATOM 525 CA ASP A 34 71.935 -6.046 9.787 1.00 0.00 C ATOM 526 C ASP A 34 71.009 -7.151 10.282 1.00 0.00 C ATOM 527 O ASP A 34 71.355 -8.330 10.206 1.00 0.00 O ATOM 528 CB ASP A 34 71.780 -5.870 8.273 1.00 0.00 C ATOM 529 CG ASP A 34 72.493 -4.599 7.820 1.00 0.00 C ATOM 530 OD1 ASP A 34 72.746 -3.755 8.662 1.00 0.00 O ATOM 531 OD2 ASP A 34 72.776 -4.489 6.637 1.00 0.00 O ATOM 0 H ASP A 34 73.509 -7.408 10.040 1.00 0.00 H new ATOM 0 HA ASP A 34 71.680 -5.100 10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.194 -6.734 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.723 -5.817 8.011 1.00 0.00 H new ATOM 536 N LEU A 35 69.845 -6.776 10.808 1.00 0.00 N ATOM 537 CA LEU A 35 68.898 -7.771 11.337 1.00 0.00 C ATOM 538 C LEU A 35 67.761 -8.033 10.358 1.00 0.00 C ATOM 539 O LEU A 35 66.644 -7.552 10.536 1.00 0.00 O ATOM 540 CB LEU A 35 68.322 -7.305 12.685 1.00 0.00 C ATOM 541 CG LEU A 35 67.440 -8.402 13.304 1.00 0.00 C ATOM 542 CD1 LEU A 35 68.274 -9.667 13.603 1.00 0.00 C ATOM 543 CD2 LEU A 35 66.831 -7.873 14.610 1.00 0.00 C ATOM 0 H LEU A 35 69.533 -5.808 10.882 1.00 0.00 H new ATOM 0 HA LEU A 35 69.448 -8.701 11.482 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.135 -7.056 13.367 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.736 -6.397 12.542 1.00 0.00 H new ATOM 0 HG LEU A 35 66.652 -8.665 12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 35 67.632 -10.431 14.041 1.00 0.00 H new ATOM 0 HD12 LEU A 35 68.708 -10.044 12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.072 -9.420 14.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 66.203 -8.644 15.057 1.00 0.00 H new ATOM 0 HD22 LEU A 35 67.630 -7.608 15.303 1.00 0.00 H new ATOM 0 HD23 LEU A 35 66.227 -6.991 14.399 1.00 0.00 H new ATOM 555 N VAL A 36 68.047 -8.849 9.351 1.00 0.00 N ATOM 556 CA VAL A 36 67.047 -9.233 8.360 1.00 0.00 C ATOM 557 C VAL A 36 66.851 -10.741 8.446 1.00 0.00 C ATOM 558 O VAL A 36 67.809 -11.510 8.368 1.00 0.00 O ATOM 559 CB VAL A 36 67.491 -8.790 6.937 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.024 -8.701 6.877 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.994 -9.794 5.876 1.00 0.00 C ATOM 0 H VAL A 36 68.968 -9.260 9.198 1.00 0.00 H new ATOM 0 HA VAL A 36 66.099 -8.735 8.562 1.00 0.00 H new ATOM 0 HB VAL A 36 67.057 -7.813 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.332 -8.390 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.375 -7.973 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.454 -9.677 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.315 -9.467 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.410 -10.780 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.906 -9.846 5.906 1.00 0.00 H new ATOM 571 N GLU A 37 65.602 -11.152 8.618 1.00 0.00 N ATOM 572 CA GLU A 37 65.270 -12.573 8.730 1.00 0.00 C ATOM 573 C GLU A 37 64.345 -12.976 7.591 1.00 0.00 C ATOM 574 O GLU A 37 63.241 -12.443 7.462 1.00 0.00 O ATOM 575 CB GLU A 37 64.581 -12.824 10.076 1.00 0.00 C ATOM 576 CG GLU A 37 64.269 -14.312 10.235 1.00 0.00 C ATOM 577 CD GLU A 37 63.642 -14.561 11.605 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.768 -13.697 12.457 1.00 0.00 O ATOM 579 OE2 GLU A 37 63.039 -15.608 11.780 1.00 0.00 O ATOM 0 H GLU A 37 64.800 -10.525 8.683 1.00 0.00 H new ATOM 0 HA GLU A 37 66.181 -13.168 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.224 -12.490 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 37 63.661 -12.243 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 37 63.589 -14.637 9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.182 -14.898 10.130 1.00 0.00 H new ATOM 586 N VAL A 38 64.804 -13.908 6.758 1.00 0.00 N ATOM 587 CA VAL A 38 64.018 -14.370 5.619 1.00 0.00 C ATOM 588 C VAL A 38 63.870 -15.891 5.660 1.00 0.00 C ATOM 589 O VAL A 38 64.844 -16.617 5.871 1.00 0.00 O ATOM 590 CB VAL A 38 64.713 -13.944 4.325 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.992 -12.437 4.364 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.037 -14.697 4.165 1.00 0.00 C ATOM 0 H VAL A 38 65.715 -14.357 6.851 1.00 0.00 H new ATOM 0 HA VAL A 38 63.023 -13.926 5.662 1.00 0.00 H new ATOM 0 HB VAL A 38 64.063 -14.178 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.487 -12.135 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.052 -11.895 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.636 -12.208 5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.523 -14.386 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.688 -14.473 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.844 -15.769 4.130 1.00 0.00 H new ATOM 602 N MET A 39 62.639 -16.365 5.464 1.00 0.00 N ATOM 603 CA MET A 39 62.356 -17.803 5.478 1.00 0.00 C ATOM 604 C MET A 39 62.348 -18.353 4.057 1.00 0.00 C ATOM 605 O MET A 39 61.613 -17.864 3.199 1.00 0.00 O ATOM 606 CB MET A 39 60.996 -18.063 6.134 1.00 0.00 C ATOM 607 CG MET A 39 60.723 -19.572 6.171 1.00 0.00 C ATOM 608 SD MET A 39 59.179 -19.893 7.062 1.00 0.00 S ATOM 609 CE MET A 39 58.057 -19.706 5.653 1.00 0.00 C ATOM 0 H MET A 39 61.823 -15.777 5.294 1.00 0.00 H new ATOM 0 HA MET A 39 63.136 -18.305 6.051 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.985 -17.656 7.145 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.209 -17.554 5.577 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.656 -19.964 5.156 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.550 -20.089 6.659 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.025 -19.777 5.997 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.217 -18.734 5.187 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.252 -20.494 4.926 1.00 0.00 H new ATOM 619 N THR A 40 63.180 -19.360 3.806 1.00 0.00 N ATOM 620 CA THR A 40 63.260 -19.957 2.473 1.00 0.00 C ATOM 621 C THR A 40 62.260 -21.103 2.333 1.00 0.00 C ATOM 622 O THR A 40 61.325 -21.033 1.536 1.00 0.00 O ATOM 623 CB THR A 40 64.686 -20.477 2.215 1.00 0.00 C ATOM 624 OG1 THR A 40 64.782 -21.830 2.636 1.00 0.00 O ATOM 625 CG2 THR A 40 65.695 -19.637 3.002 1.00 0.00 C ATOM 0 H THR A 40 63.802 -19.777 4.498 1.00 0.00 H new ATOM 0 HA THR A 40 63.016 -19.190 1.738 1.00 0.00 H new ATOM 0 HB THR A 40 64.903 -20.405 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 40 65.689 -22.161 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 40 66.702 -20.009 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.628 -18.596 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 40 65.474 -19.706 4.067 1.00 0.00 H new ATOM 633 N ASP A 41 62.466 -22.156 3.117 1.00 0.00 N ATOM 634 CA ASP A 41 61.586 -23.331 3.087 1.00 0.00 C ATOM 635 C ASP A 41 61.301 -23.815 4.509 1.00 0.00 C ATOM 636 O ASP A 41 61.635 -24.948 4.853 1.00 0.00 O ATOM 637 CB ASP A 41 62.271 -24.463 2.318 1.00 0.00 C ATOM 638 CG ASP A 41 61.335 -25.664 2.227 1.00 0.00 C ATOM 639 OD1 ASP A 41 60.288 -25.618 2.854 1.00 0.00 O ATOM 640 OD2 ASP A 41 61.674 -26.608 1.534 1.00 0.00 O ATOM 0 H ASP A 41 63.235 -22.225 3.784 1.00 0.00 H new ATOM 0 HA ASP A 41 60.651 -23.053 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 41 62.542 -24.124 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 41 63.196 -24.748 2.819 1.00 0.00 H new ATOM 645 N LYS A 42 60.700 -22.958 5.339 1.00 0.00 N ATOM 646 CA LYS A 42 60.407 -23.335 6.719 1.00 0.00 C ATOM 647 C LYS A 42 61.694 -23.327 7.549 1.00 0.00 C ATOM 648 O LYS A 42 61.773 -23.976 8.591 1.00 0.00 O ATOM 649 CB LYS A 42 59.759 -24.737 6.769 1.00 0.00 C ATOM 650 CG LYS A 42 58.827 -24.851 7.983 1.00 0.00 C ATOM 651 CD LYS A 42 58.104 -26.198 7.947 1.00 0.00 C ATOM 652 CE LYS A 42 57.214 -26.322 9.185 1.00 0.00 C ATOM 653 NZ LYS A 42 56.094 -25.345 9.090 1.00 0.00 N ATOM 0 H LYS A 42 60.412 -22.014 5.083 1.00 0.00 H new ATOM 0 HA LYS A 42 59.707 -22.611 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.197 -24.918 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.534 -25.501 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.401 -24.759 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.102 -24.037 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.502 -26.278 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.828 -27.013 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.821 -27.336 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 42 57.798 -26.136 10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 55.351 -25.601 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 56.447 -24.391 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.701 -25.360 8.127 1.00 0.00 H new ATOM 667 N VAL A 43 62.700 -22.588 7.075 1.00 0.00 N ATOM 668 CA VAL A 43 63.985 -22.491 7.767 1.00 0.00 C ATOM 669 C VAL A 43 64.349 -21.027 7.971 1.00 0.00 C ATOM 670 O VAL A 43 64.130 -20.198 7.088 1.00 0.00 O ATOM 671 CB VAL A 43 65.081 -23.179 6.954 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.398 -23.125 7.729 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.693 -24.637 6.703 1.00 0.00 C ATOM 0 H VAL A 43 62.648 -22.047 6.212 1.00 0.00 H new ATOM 0 HA VAL A 43 63.899 -22.985 8.735 1.00 0.00 H new ATOM 0 HB VAL A 43 65.201 -22.668 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 67.181 -23.615 7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.674 -22.085 7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.279 -23.636 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.475 -25.127 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.573 -25.151 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.754 -24.674 6.150 1.00 0.00 H new ATOM 683 N THR A 44 64.892 -20.709 9.139 1.00 0.00 N ATOM 684 CA THR A 44 65.271 -19.325 9.441 1.00 0.00 C ATOM 685 C THR A 44 66.742 -19.098 9.117 1.00 0.00 C ATOM 686 O THR A 44 67.623 -19.697 9.734 1.00 0.00 O ATOM 687 CB THR A 44 65.037 -19.026 10.929 1.00 0.00 C ATOM 688 OG1 THR A 44 63.779 -19.554 11.325 1.00 0.00 O ATOM 689 CG2 THR A 44 65.050 -17.513 11.163 1.00 0.00 C ATOM 0 H THR A 44 65.080 -21.377 9.887 1.00 0.00 H new ATOM 0 HA THR A 44 64.657 -18.661 8.832 1.00 0.00 H new ATOM 0 HB THR A 44 65.830 -19.488 11.517 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.629 -19.365 12.275 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.883 -17.307 12.220 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.015 -17.107 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.260 -17.047 10.574 1.00 0.00 H new ATOM 697 N VAL A 45 66.994 -18.226 8.146 1.00 0.00 N ATOM 698 CA VAL A 45 68.364 -17.910 7.730 1.00 0.00 C ATOM 699 C VAL A 45 68.617 -16.404 7.786 1.00 0.00 C ATOM 700 O VAL A 45 67.833 -15.610 7.261 1.00 0.00 O ATOM 701 CB VAL A 45 68.605 -18.423 6.303 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.671 -19.953 6.318 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.457 -17.974 5.394 1.00 0.00 C ATOM 0 H VAL A 45 66.271 -17.724 7.630 1.00 0.00 H new ATOM 0 HA VAL A 45 69.054 -18.401 8.416 1.00 0.00 H new ATOM 0 HB VAL A 45 69.545 -18.018 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.842 -20.320 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.488 -20.276 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.730 -20.354 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.630 -18.339 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.517 -18.377 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.406 -16.885 5.383 1.00 0.00 H new ATOM 713 N LYS A 46 69.727 -16.012 8.412 1.00 0.00 N ATOM 714 CA LYS A 46 70.088 -14.596 8.518 1.00 0.00 C ATOM 715 C LYS A 46 71.133 -14.249 7.461 1.00 0.00 C ATOM 716 O LYS A 46 72.087 -14.997 7.252 1.00 0.00 O ATOM 717 CB LYS A 46 70.638 -14.302 9.917 1.00 0.00 C ATOM 718 CG LYS A 46 69.508 -14.429 10.942 1.00 0.00 C ATOM 719 CD LYS A 46 70.053 -14.147 12.342 1.00 0.00 C ATOM 720 CE LYS A 46 68.907 -14.191 13.353 1.00 0.00 C ATOM 721 NZ LYS A 46 68.331 -15.565 13.396 1.00 0.00 N ATOM 0 H LYS A 46 70.390 -16.651 8.852 1.00 0.00 H new ATOM 0 HA LYS A 46 69.200 -13.986 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.442 -14.997 10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.063 -13.299 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.707 -13.729 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.078 -15.430 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.812 -14.884 12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.536 -13.170 12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.269 -13.906 14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.137 -13.471 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 67.765 -15.677 14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 67.725 -15.713 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.101 -16.264 13.393 1.00 0.00 H new ATOM 735 N ILE A 47 70.935 -13.117 6.783 1.00 0.00 N ATOM 736 CA ILE A 47 71.860 -12.680 5.726 1.00 0.00 C ATOM 737 C ILE A 47 72.243 -11.208 5.911 1.00 0.00 C ATOM 738 O ILE A 47 71.620 -10.326 5.319 1.00 0.00 O ATOM 739 CB ILE A 47 71.187 -12.844 4.359 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.734 -14.294 4.171 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.185 -12.484 3.255 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.789 -14.386 2.971 1.00 0.00 C ATOM 0 H ILE A 47 70.149 -12.487 6.943 1.00 0.00 H new ATOM 0 HA ILE A 47 72.760 -13.292 5.784 1.00 0.00 H new ATOM 0 HB ILE A 47 70.321 -12.185 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.599 -14.938 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.231 -14.648 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.708 -12.600 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.508 -11.451 3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.050 -13.145 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.468 -15.419 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.918 -13.755 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.307 -14.050 2.073 1.00 0.00 H new ATOM 754 N PRO A 48 73.239 -10.918 6.717 1.00 0.00 N ATOM 755 CA PRO A 48 73.686 -9.513 6.972 1.00 0.00 C ATOM 756 C PRO A 48 74.590 -8.955 5.863 1.00 0.00 C ATOM 757 O PRO A 48 75.315 -9.703 5.210 1.00 0.00 O ATOM 758 CB PRO A 48 74.434 -9.633 8.309 1.00 0.00 C ATOM 759 CG PRO A 48 75.012 -11.013 8.305 1.00 0.00 C ATOM 760 CD PRO A 48 74.052 -11.890 7.485 1.00 0.00 C ATOM 0 HA PRO A 48 72.852 -8.811 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.215 -8.878 8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 48 73.760 -9.490 9.153 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.009 -11.014 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 48 75.112 -11.394 9.321 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.595 -12.565 6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.429 -12.509 8.130 1.00 0.00 H new ATOM 768 N SER A 49 74.550 -7.627 5.676 1.00 0.00 N ATOM 769 CA SER A 49 75.377 -6.952 4.669 1.00 0.00 C ATOM 770 C SER A 49 74.779 -7.047 3.261 1.00 0.00 C ATOM 771 O SER A 49 75.343 -7.691 2.377 1.00 0.00 O ATOM 772 CB SER A 49 76.800 -7.532 4.677 1.00 0.00 C ATOM 773 OG SER A 49 76.869 -8.676 3.833 1.00 0.00 O ATOM 0 H SER A 49 73.951 -6.999 6.212 1.00 0.00 H new ATOM 0 HA SER A 49 75.410 -5.896 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 49 77.510 -6.778 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 49 77.084 -7.803 5.694 1.00 0.00 H new ATOM 0 HG SER A 49 76.553 -9.464 4.323 1.00 0.00 H new ATOM 779 N PRO A 50 73.660 -6.403 3.033 1.00 0.00 N ATOM 780 CA PRO A 50 72.989 -6.395 1.704 1.00 0.00 C ATOM 781 C PRO A 50 73.458 -5.237 0.808 1.00 0.00 C ATOM 782 O PRO A 50 72.657 -4.649 0.083 1.00 0.00 O ATOM 783 CB PRO A 50 71.525 -6.223 2.087 1.00 0.00 C ATOM 784 CG PRO A 50 71.559 -5.336 3.299 1.00 0.00 C ATOM 785 CD PRO A 50 72.899 -5.619 4.017 1.00 0.00 C ATOM 0 HA PRO A 50 73.203 -7.290 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.953 -5.769 1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 50 71.057 -7.182 2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 50 71.487 -4.287 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 50 70.715 -5.546 3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 50 73.416 -4.696 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 50 72.748 -6.175 4.942 1.00 0.00 H new ATOM 793 N VAL A 51 74.752 -4.911 0.863 1.00 0.00 N ATOM 794 CA VAL A 51 75.295 -3.818 0.039 1.00 0.00 C ATOM 795 C VAL A 51 74.664 -2.467 0.419 1.00 0.00 C ATOM 796 O VAL A 51 73.467 -2.256 0.227 1.00 0.00 O ATOM 797 CB VAL A 51 75.028 -4.110 -1.446 1.00 0.00 C ATOM 798 CG1 VAL A 51 75.900 -3.199 -2.318 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.357 -5.580 -1.742 1.00 0.00 C ATOM 0 H VAL A 51 75.437 -5.377 1.458 1.00 0.00 H new ATOM 0 HA VAL A 51 76.368 -3.757 0.219 1.00 0.00 H new ATOM 0 HB VAL A 51 73.978 -3.920 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.708 -3.409 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.662 -2.157 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 51 76.952 -3.383 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.169 -5.790 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.406 -5.771 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.730 -6.224 -1.126 1.00 0.00 H new ATOM 809 N ARG A 52 75.483 -1.549 0.950 1.00 0.00 N ATOM 810 CA ARG A 52 75.006 -0.222 1.346 1.00 0.00 C ATOM 811 C ARG A 52 74.821 0.690 0.135 1.00 0.00 C ATOM 812 O ARG A 52 75.499 0.530 -0.879 1.00 0.00 O ATOM 813 CB ARG A 52 76.020 0.421 2.300 1.00 0.00 C ATOM 814 CG ARG A 52 77.372 0.569 1.591 1.00 0.00 C ATOM 815 CD ARG A 52 78.399 1.209 2.527 1.00 0.00 C ATOM 816 NE ARG A 52 79.668 1.351 1.824 1.00 0.00 N ATOM 817 CZ ARG A 52 80.816 1.521 2.472 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.845 1.544 3.776 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.923 1.657 1.797 1.00 0.00 N ATOM 0 H ARG A 52 76.478 -1.703 1.114 1.00 0.00 H new ATOM 0 HA ARG A 52 74.041 -0.345 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 52 75.660 1.397 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.132 -0.192 3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.727 -0.408 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.255 1.181 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.045 2.184 2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.530 0.594 3.417 1.00 0.00 H new ATOM 0 HE ARG A 52 79.675 1.319 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 52 79.982 1.431 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.731 1.675 4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.905 1.633 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.807 1.788 2.288 1.00 0.00 H new ATOM 833 N GLY A 53 73.911 1.657 0.257 1.00 0.00 N ATOM 834 CA GLY A 53 73.661 2.604 -0.822 1.00 0.00 C ATOM 835 C GLY A 53 72.412 3.433 -0.525 1.00 0.00 C ATOM 836 O GLY A 53 72.191 3.830 0.619 1.00 0.00 O ATOM 0 H GLY A 53 73.339 1.802 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.521 3.262 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.534 2.068 -1.763 1.00 0.00 H new ATOM 840 N LYS A 54 71.593 3.700 -1.549 1.00 0.00 N ATOM 841 CA LYS A 54 70.371 4.492 -1.366 1.00 0.00 C ATOM 842 C LYS A 54 69.134 3.620 -1.570 1.00 0.00 C ATOM 843 O LYS A 54 69.015 2.913 -2.571 1.00 0.00 O ATOM 844 CB LYS A 54 70.353 5.652 -2.371 1.00 0.00 C ATOM 845 CG LYS A 54 69.125 6.532 -2.121 1.00 0.00 C ATOM 846 CD LYS A 54 69.137 7.725 -3.080 1.00 0.00 C ATOM 847 CE LYS A 54 67.903 8.591 -2.823 1.00 0.00 C ATOM 848 NZ LYS A 54 67.917 9.761 -3.747 1.00 0.00 N ATOM 0 H LYS A 54 71.752 3.382 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 54 70.359 4.887 -0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.263 6.244 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.333 5.264 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.214 5.950 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.122 6.883 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.044 8.312 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.142 7.376 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 54 66.996 8.005 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 54 67.893 8.932 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.078 10.351 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 68.776 10.324 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 67.907 9.426 -4.732 1.00 0.00 H new ATOM 862 N ILE A 55 68.206 3.679 -0.612 1.00 0.00 N ATOM 863 CA ILE A 55 66.971 2.897 -0.690 1.00 0.00 C ATOM 864 C ILE A 55 65.882 3.768 -1.325 1.00 0.00 C ATOM 865 O ILE A 55 65.571 4.846 -0.818 1.00 0.00 O ATOM 866 CB ILE A 55 66.565 2.468 0.732 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.818 2.086 1.540 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.626 1.261 0.668 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.676 1.087 0.755 1.00 0.00 C ATOM 0 H ILE A 55 68.286 4.258 0.224 1.00 0.00 H new ATOM 0 HA ILE A 55 67.113 2.004 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 55 66.055 3.301 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.401 2.980 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.524 1.651 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.344 0.965 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.731 1.526 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.133 0.431 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.558 0.827 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.095 0.187 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.986 1.536 -0.189 1.00 0.00 H new ATOM 881 N VAL A 56 65.341 3.322 -2.463 1.00 0.00 N ATOM 882 CA VAL A 56 64.327 4.100 -3.190 1.00 0.00 C ATOM 883 C VAL A 56 62.885 3.727 -2.816 1.00 0.00 C ATOM 884 O VAL A 56 62.082 4.609 -2.508 1.00 0.00 O ATOM 885 CB VAL A 56 64.532 3.907 -4.704 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.368 4.539 -5.479 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.838 4.586 -5.138 1.00 0.00 C ATOM 0 H VAL A 56 65.584 2.433 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 56 64.462 5.143 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 56 64.576 2.839 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.523 4.397 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.433 4.065 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.320 5.605 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.981 4.448 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.787 5.651 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.675 4.142 -4.600 1.00 0.00 H new ATOM 897 N LYS A 57 62.538 2.442 -2.884 1.00 0.00 N ATOM 898 CA LYS A 57 61.160 2.026 -2.588 1.00 0.00 C ATOM 899 C LYS A 57 61.099 0.598 -2.052 1.00 0.00 C ATOM 900 O LYS A 57 62.013 -0.198 -2.268 1.00 0.00 O ATOM 901 CB LYS A 57 60.315 2.133 -3.864 1.00 0.00 C ATOM 902 CG LYS A 57 58.836 1.900 -3.540 1.00 0.00 C ATOM 903 CD LYS A 57 57.997 2.168 -4.790 1.00 0.00 C ATOM 904 CE LYS A 57 56.515 1.974 -4.461 1.00 0.00 C ATOM 905 NZ LYS A 57 56.281 0.567 -4.030 1.00 0.00 N ATOM 0 H LYS A 57 63.172 1.684 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 57 60.767 2.686 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.446 3.117 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.654 1.400 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.684 0.876 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.522 2.557 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.171 3.183 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.294 1.492 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.214 2.662 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 57 55.905 2.204 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.421 0.202 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 57.095 -0.020 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.164 0.535 -2.997 1.00 0.00 H new ATOM 919 N ILE A 58 60.003 0.277 -1.351 1.00 0.00 N ATOM 920 CA ILE A 58 59.803 -1.054 -0.780 1.00 0.00 C ATOM 921 C ILE A 58 58.648 -1.763 -1.494 1.00 0.00 C ATOM 922 O ILE A 58 57.524 -1.263 -1.527 1.00 0.00 O ATOM 923 CB ILE A 58 59.506 -0.915 0.726 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.780 -2.248 1.436 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.050 -0.476 0.946 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.113 -2.277 2.821 1.00 0.00 C ATOM 0 H ILE A 58 59.240 0.928 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 58 60.704 -1.652 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 58 60.160 -0.152 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.404 -3.072 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.855 -2.394 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.856 -0.382 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.883 0.486 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.377 -1.220 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.321 -3.231 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.509 -1.466 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.036 -2.154 2.709 1.00 0.00 H new ATOM 938 N LEU A 59 58.936 -2.928 -2.076 1.00 0.00 N ATOM 939 CA LEU A 59 57.917 -3.698 -2.798 1.00 0.00 C ATOM 940 C LEU A 59 57.359 -4.824 -1.931 1.00 0.00 C ATOM 941 O LEU A 59 56.298 -5.375 -2.224 1.00 0.00 O ATOM 942 CB LEU A 59 58.515 -4.282 -4.084 1.00 0.00 C ATOM 943 CG LEU A 59 58.893 -3.148 -5.052 1.00 0.00 C ATOM 944 CD1 LEU A 59 59.696 -3.738 -6.218 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.624 -2.455 -5.594 1.00 0.00 C ATOM 0 H LEU A 59 59.860 -3.359 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 59 57.099 -3.023 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.397 -4.878 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.796 -4.951 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 59 59.492 -2.407 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.969 -2.942 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 59 60.600 -4.212 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.090 -4.480 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.910 -1.655 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 59 57.010 -3.183 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.055 -2.037 -4.764 1.00 0.00 H new ATOM 957 N TYR A 60 58.077 -5.166 -0.860 1.00 0.00 N ATOM 958 CA TYR A 60 57.643 -6.238 0.049 1.00 0.00 C ATOM 959 C TYR A 60 57.190 -5.668 1.390 1.00 0.00 C ATOM 960 O TYR A 60 57.760 -4.699 1.894 1.00 0.00 O ATOM 961 CB TYR A 60 58.797 -7.236 0.254 1.00 0.00 C ATOM 962 CG TYR A 60 58.830 -8.213 -0.914 1.00 0.00 C ATOM 963 CD1 TYR A 60 59.076 -7.734 -2.211 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.613 -9.588 -0.712 1.00 0.00 C ATOM 965 CE1 TYR A 60 59.102 -8.619 -3.295 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.641 -10.469 -1.799 1.00 0.00 C ATOM 967 CZ TYR A 60 58.885 -9.985 -3.090 1.00 0.00 C ATOM 968 OH TYR A 60 58.911 -10.859 -4.158 1.00 0.00 O ATOM 0 H TYR A 60 58.957 -4.722 -0.598 1.00 0.00 H new ATOM 0 HA TYR A 60 56.793 -6.754 -0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.745 -6.704 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.664 -7.776 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.246 -6.680 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.425 -9.964 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.290 -8.246 -4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.474 -11.524 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 60 59.219 -11.738 -3.854 1.00 0.00 H new ATOM 978 N ARG A 61 56.153 -6.282 1.965 1.00 0.00 N ATOM 979 CA ARG A 61 55.606 -5.842 3.254 1.00 0.00 C ATOM 980 C ARG A 61 55.688 -6.975 4.272 1.00 0.00 C ATOM 981 O ARG A 61 55.902 -8.133 3.911 1.00 0.00 O ATOM 982 CB ARG A 61 54.147 -5.415 3.085 1.00 0.00 C ATOM 983 CG ARG A 61 54.076 -4.192 2.168 1.00 0.00 C ATOM 984 CD ARG A 61 52.618 -3.772 1.975 1.00 0.00 C ATOM 985 NE ARG A 61 51.895 -4.796 1.229 1.00 0.00 N ATOM 986 CZ ARG A 61 51.975 -4.862 -0.097 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.756 -4.034 -0.736 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.297 -5.764 -0.752 1.00 0.00 N ATOM 0 H ARG A 61 55.674 -7.086 1.559 1.00 0.00 H new ATOM 0 HA ARG A 61 56.191 -4.995 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.564 -6.234 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.711 -5.181 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.647 -3.369 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.528 -4.423 1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.145 -3.616 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.573 -2.823 1.442 1.00 0.00 H new ATOM 0 HE ARG A 61 51.319 -5.472 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 61 53.299 -3.343 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 61 52.823 -4.078 -1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.703 -6.422 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.361 -5.811 -1.769 1.00 0.00 H new ATOM 1002 N GLU A 62 55.532 -6.631 5.543 1.00 0.00 N ATOM 1003 CA GLU A 62 55.603 -7.626 6.609 1.00 0.00 C ATOM 1004 C GLU A 62 54.559 -8.725 6.409 1.00 0.00 C ATOM 1005 O GLU A 62 53.369 -8.446 6.267 1.00 0.00 O ATOM 1006 CB GLU A 62 55.364 -6.969 7.971 1.00 0.00 C ATOM 1007 CG GLU A 62 56.520 -6.028 8.319 1.00 0.00 C ATOM 1008 CD GLU A 62 56.230 -5.317 9.636 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.216 -5.626 10.243 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.026 -4.477 10.023 1.00 0.00 O ATOM 0 H GLU A 62 55.357 -5.678 5.862 1.00 0.00 H new ATOM 0 HA GLU A 62 56.600 -8.066 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.427 -6.413 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.267 -7.736 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.449 -6.592 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.657 -5.296 7.523 1.00 0.00 H new ATOM 1017 N GLY A 63 55.017 -9.976 6.422 1.00 0.00 N ATOM 1018 CA GLY A 63 54.110 -11.119 6.263 1.00 0.00 C ATOM 1019 C GLY A 63 53.810 -11.403 4.794 1.00 0.00 C ATOM 1020 O GLY A 63 52.984 -12.256 4.475 1.00 0.00 O ATOM 0 H GLY A 63 55.999 -10.226 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.555 -12.003 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.178 -10.920 6.793 1.00 0.00 H new ATOM 1024 N GLN A 64 54.475 -10.679 3.900 1.00 0.00 N ATOM 1025 CA GLN A 64 54.251 -10.870 2.471 1.00 0.00 C ATOM 1026 C GLN A 64 54.953 -12.135 1.980 1.00 0.00 C ATOM 1027 O GLN A 64 56.099 -12.402 2.336 1.00 0.00 O ATOM 1028 CB GLN A 64 54.768 -9.654 1.695 1.00 0.00 C ATOM 1029 CG GLN A 64 54.364 -9.760 0.222 1.00 0.00 C ATOM 1030 CD GLN A 64 52.848 -9.672 0.079 1.00 0.00 C ATOM 1031 OE1 GLN A 64 52.197 -8.892 0.774 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.243 -10.443 -0.785 1.00 0.00 N ATOM 0 H GLN A 64 55.164 -9.964 4.134 1.00 0.00 H new ATOM 0 HA GLN A 64 53.180 -10.979 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.363 -8.738 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.853 -9.593 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.837 -8.961 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.721 -10.703 -0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.785 -11.088 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 64 51.229 -10.399 -0.885 1.00 0.00 H new ATOM 1041 N VAL A 65 54.252 -12.912 1.151 1.00 0.00 N ATOM 1042 CA VAL A 65 54.804 -14.154 0.598 1.00 0.00 C ATOM 1043 C VAL A 65 54.702 -14.129 -0.928 1.00 0.00 C ATOM 1044 O VAL A 65 53.662 -13.771 -1.481 1.00 0.00 O ATOM 1045 CB VAL A 65 54.037 -15.361 1.156 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.532 -15.131 1.002 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.442 -16.625 0.392 1.00 0.00 C ATOM 0 H VAL A 65 53.301 -12.704 0.847 1.00 0.00 H new ATOM 0 HA VAL A 65 55.852 -14.239 0.884 1.00 0.00 H new ATOM 0 HB VAL A 65 54.278 -15.483 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.990 -15.989 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.243 -14.234 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.289 -15.005 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.897 -17.481 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.205 -16.503 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.513 -16.792 0.507 1.00 0.00 H new ATOM 1057 N VAL A 66 55.796 -14.483 -1.610 1.00 0.00 N ATOM 1058 CA VAL A 66 55.815 -14.459 -3.080 1.00 0.00 C ATOM 1059 C VAL A 66 56.745 -15.542 -3.657 1.00 0.00 C ATOM 1060 O VAL A 66 57.843 -15.734 -3.131 1.00 0.00 O ATOM 1061 CB VAL A 66 56.347 -13.101 -3.533 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.196 -12.945 -5.046 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.568 -11.981 -2.842 1.00 0.00 C ATOM 0 H VAL A 66 56.669 -14.786 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 66 54.801 -14.642 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 66 57.402 -13.041 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.580 -11.972 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.757 -13.731 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.143 -13.021 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.952 -11.015 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.512 -12.058 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.684 -12.070 -1.762 1.00 0.00 H new ATOM 1073 N PRO A 67 56.386 -16.215 -4.748 1.00 0.00 N ATOM 1074 CA PRO A 67 57.299 -17.223 -5.375 1.00 0.00 C ATOM 1075 C PRO A 67 58.641 -16.581 -5.740 1.00 0.00 C ATOM 1076 O PRO A 67 58.693 -15.400 -6.079 1.00 0.00 O ATOM 1077 CB PRO A 67 56.549 -17.691 -6.639 1.00 0.00 C ATOM 1078 CG PRO A 67 55.114 -17.345 -6.405 1.00 0.00 C ATOM 1079 CD PRO A 67 55.103 -16.122 -5.484 1.00 0.00 C ATOM 0 HA PRO A 67 57.530 -18.051 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.932 -17.193 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.674 -18.763 -6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.610 -17.126 -7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.584 -18.180 -5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.036 -15.195 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.251 -16.142 -4.805 1.00 0.00 H new ATOM 1087 N VAL A 68 59.723 -17.350 -5.661 1.00 0.00 N ATOM 1088 CA VAL A 68 61.040 -16.807 -5.979 1.00 0.00 C ATOM 1089 C VAL A 68 61.137 -16.437 -7.458 1.00 0.00 C ATOM 1090 O VAL A 68 60.862 -17.251 -8.339 1.00 0.00 O ATOM 1091 CB VAL A 68 62.141 -17.817 -5.599 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.750 -19.226 -6.072 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.475 -17.415 -6.251 1.00 0.00 C ATOM 0 H VAL A 68 59.717 -18.332 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 68 61.184 -15.898 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 68 62.253 -17.817 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.534 -19.932 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.814 -19.522 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.624 -19.224 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.246 -18.135 -5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.361 -17.402 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.765 -16.423 -5.905 1.00 0.00 H new ATOM 1103 N GLY A 69 61.533 -15.189 -7.708 1.00 0.00 N ATOM 1104 CA GLY A 69 61.679 -14.679 -9.073 1.00 0.00 C ATOM 1105 C GLY A 69 61.316 -13.194 -9.156 1.00 0.00 C ATOM 1106 O GLY A 69 60.554 -12.785 -10.033 1.00 0.00 O ATOM 0 H GLY A 69 61.759 -14.510 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.706 -14.824 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.040 -15.250 -9.747 1.00 0.00 H new ATOM 1110 N SER A 70 61.863 -12.383 -8.245 1.00 0.00 N ATOM 1111 CA SER A 70 61.571 -10.953 -8.257 1.00 0.00 C ATOM 1112 C SER A 70 62.561 -10.179 -7.393 1.00 0.00 C ATOM 1113 O SER A 70 63.289 -10.762 -6.590 1.00 0.00 O ATOM 1114 CB SER A 70 60.154 -10.704 -7.739 1.00 0.00 C ATOM 1115 OG SER A 70 60.022 -11.283 -6.450 1.00 0.00 O ATOM 0 H SER A 70 62.497 -12.687 -7.506 1.00 0.00 H new ATOM 0 HA SER A 70 61.658 -10.604 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.953 -9.634 -7.693 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.423 -11.136 -8.422 1.00 0.00 H new ATOM 0 HG SER A 70 59.453 -10.713 -5.892 1.00 0.00 H new ATOM 1121 N THR A 71 62.566 -8.854 -7.551 1.00 0.00 N ATOM 1122 CA THR A 71 63.455 -8.000 -6.762 1.00 0.00 C ATOM 1123 C THR A 71 62.763 -7.595 -5.462 1.00 0.00 C ATOM 1124 O THR A 71 61.722 -6.939 -5.476 1.00 0.00 O ATOM 1125 CB THR A 71 63.841 -6.753 -7.570 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.949 -6.120 -6.945 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.663 -5.774 -7.644 1.00 0.00 C ATOM 0 H THR A 71 61.971 -8.353 -8.211 1.00 0.00 H new ATOM 0 HA THR A 71 64.362 -8.554 -6.522 1.00 0.00 H new ATOM 0 HB THR A 71 64.106 -7.053 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.637 -5.602 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.955 -4.896 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.816 -6.260 -8.127 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.380 -5.469 -6.637 1.00 0.00 H new ATOM 1135 N LEU A 72 63.337 -8.006 -4.341 1.00 0.00 N ATOM 1136 CA LEU A 72 62.755 -7.691 -3.039 1.00 0.00 C ATOM 1137 C LEU A 72 62.752 -6.184 -2.808 1.00 0.00 C ATOM 1138 O LEU A 72 61.773 -5.613 -2.327 1.00 0.00 O ATOM 1139 CB LEU A 72 63.565 -8.379 -1.938 1.00 0.00 C ATOM 1140 CG LEU A 72 63.420 -9.907 -2.051 1.00 0.00 C ATOM 1141 CD1 LEU A 72 64.394 -10.586 -1.076 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.972 -10.336 -1.740 1.00 0.00 C ATOM 0 H LEU A 72 64.197 -8.553 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 72 61.726 -8.050 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.615 -8.099 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 72 63.221 -8.045 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 72 63.656 -10.212 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.292 -11.668 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.416 -10.298 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 72 64.166 -10.274 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.887 -11.419 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.711 -10.030 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 72 61.292 -9.863 -2.448 1.00 0.00 H new ATOM 1154 N LEU A 73 63.865 -5.548 -3.155 1.00 0.00 N ATOM 1155 CA LEU A 73 64.016 -4.104 -2.989 1.00 0.00 C ATOM 1156 C LEU A 73 64.879 -3.576 -4.138 1.00 0.00 C ATOM 1157 O LEU A 73 65.786 -4.270 -4.600 1.00 0.00 O ATOM 1158 CB LEU A 73 64.687 -3.840 -1.617 1.00 0.00 C ATOM 1159 CG LEU A 73 64.378 -2.426 -1.061 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.498 -2.450 0.471 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.379 -1.401 -1.609 1.00 0.00 C ATOM 0 H LEU A 73 64.681 -6.011 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 73 63.053 -3.594 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.348 -4.589 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.766 -3.959 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 73 63.370 -2.145 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.282 -1.458 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.787 -3.168 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.510 -2.741 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.146 -0.415 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.389 -1.684 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.314 -1.375 -2.697 1.00 0.00 H new ATOM 1173 N GLN A 74 64.608 -2.354 -4.596 1.00 0.00 N ATOM 1174 CA GLN A 74 65.387 -1.764 -5.689 1.00 0.00 C ATOM 1175 C GLN A 74 66.383 -0.768 -5.113 1.00 0.00 C ATOM 1176 O GLN A 74 66.015 0.139 -4.366 1.00 0.00 O ATOM 1177 CB GLN A 74 64.460 -1.051 -6.673 1.00 0.00 C ATOM 1178 CG GLN A 74 65.238 -0.678 -7.940 1.00 0.00 C ATOM 1179 CD GLN A 74 65.537 -1.928 -8.756 1.00 0.00 C ATOM 1180 OE1 GLN A 74 64.921 -2.972 -8.544 1.00 0.00 O ATOM 1181 NE2 GLN A 74 66.449 -1.877 -9.690 1.00 0.00 N ATOM 0 H GLN A 74 63.864 -1.758 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 74 65.919 -2.555 -6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.619 -1.696 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.045 -0.154 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.659 0.026 -8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.169 -0.178 -7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.956 -1.009 -9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 74 66.654 -2.706 -10.248 1.00 0.00 H new ATOM 1190 N ILE A 75 67.661 -0.969 -5.437 1.00 0.00 N ATOM 1191 CA ILE A 75 68.730 -0.108 -4.922 1.00 0.00 C ATOM 1192 C ILE A 75 69.591 0.434 -6.050 1.00 0.00 C ATOM 1193 O ILE A 75 70.117 -0.320 -6.869 1.00 0.00 O ATOM 1194 CB ILE A 75 69.591 -0.922 -3.948 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.743 -1.333 -2.732 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.773 -0.088 -3.457 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.430 -2.472 -1.976 1.00 0.00 C ATOM 0 H ILE A 75 67.982 -1.717 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 75 68.284 0.744 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 75 69.961 -1.805 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.603 -0.478 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.752 -1.648 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.374 -0.680 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.386 0.211 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.404 0.801 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.823 -2.757 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.547 -3.330 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.411 -2.142 -1.634 1.00 0.00 H new ATOM 1209 N ASP A 76 69.747 1.752 -6.063 1.00 0.00 N ATOM 1210 CA ASP A 76 70.572 2.416 -7.072 1.00 0.00 C ATOM 1211 C ASP A 76 72.018 2.464 -6.594 1.00 0.00 C ATOM 1212 O ASP A 76 72.277 2.655 -5.406 1.00 0.00 O ATOM 1213 CB ASP A 76 70.067 3.840 -7.313 1.00 0.00 C ATOM 1214 CG ASP A 76 68.668 3.804 -7.919 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.299 2.768 -8.446 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.985 4.813 -7.843 1.00 0.00 O ATOM 0 H ASP A 76 69.315 2.384 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 76 70.511 1.856 -8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.051 4.392 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.748 4.367 -7.981 1.00 0.00 H new ATOM 1221 N THR A 77 72.963 2.289 -7.517 1.00 0.00 N ATOM 1222 CA THR A 77 74.383 2.314 -7.165 1.00 0.00 C ATOM 1223 C THR A 77 75.170 3.105 -8.205 1.00 0.00 C ATOM 1224 O THR A 77 75.333 4.298 -8.012 1.00 0.00 O ATOM 1225 CB THR A 77 74.929 0.885 -7.085 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.010 0.065 -6.377 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.275 0.886 -6.358 1.00 0.00 C ATOM 1228 OXT THR A 77 75.594 2.509 -9.181 1.00 0.00 O ATOM 0 H THR A 77 72.774 2.130 -8.507 1.00 0.00 H new ATOM 0 HA THR A 77 74.493 2.796 -6.193 1.00 0.00 H new ATOM 0 HB THR A 77 75.064 0.495 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.359 -0.850 -6.327 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.660 -0.132 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A 77 76.982 1.512 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.144 1.279 -5.350 1.00 0.00 H new TER 1236 THR A 77