USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 ALA N :NH3+ -176:sc= 0 (180deg=-0.00941) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 5:sc= 0.321 USER MOD Single : A 20 THR OG1 : rot -7:sc= 1.05 USER MOD Single : A 22 HIS : no HD1:sc= -7.7! C(o=-7.7!,f=-14!) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -0.0534 (180deg=-0.863) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -159:sc= -1.75 (180deg=-2.84!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 65 THR OG1 : rot 18:sc= 0.00805 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 89:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.813 8.500 0.877 1.00 0.00 N ATOM 2 CA ALA A 1 -9.675 9.357 0.438 1.00 0.00 C ATOM 3 C ALA A 1 -8.361 8.763 0.949 1.00 0.00 C ATOM 4 O ALA A 1 -7.727 9.302 1.834 1.00 0.00 O ATOM 5 CB ALA A 1 -9.850 10.768 1.003 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.699 8.866 0.473 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.660 7.525 0.550 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.875 8.511 1.915 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.654 9.402 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.018 11.394 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.785 11.192 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.872 10.724 2.092 1.00 0.00 H new ATOM 13 N ILE A 2 -7.948 7.653 0.400 1.00 0.00 N ATOM 14 CA ILE A 2 -6.676 7.026 0.855 1.00 0.00 C ATOM 15 C ILE A 2 -5.655 7.058 -0.284 1.00 0.00 C ATOM 16 O ILE A 2 -5.782 6.352 -1.265 1.00 0.00 O ATOM 17 CB ILE A 2 -6.940 5.574 1.261 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.170 5.518 2.171 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.726 5.026 2.013 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.575 4.058 2.390 1.00 0.00 C ATOM 0 H ILE A 2 -8.437 7.154 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.285 7.578 1.710 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.117 4.972 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.951 5.993 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.994 6.072 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.914 3.992 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.849 5.069 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.550 5.626 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.451 4.017 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.811 3.598 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.752 3.518 2.858 1.00 0.00 H new ATOM 32 N ASP A 3 -4.643 7.873 -0.163 1.00 0.00 N ATOM 33 CA ASP A 3 -3.614 7.949 -1.239 1.00 0.00 C ATOM 34 C ASP A 3 -2.674 6.747 -1.131 1.00 0.00 C ATOM 35 O ASP A 3 -2.070 6.510 -0.104 1.00 0.00 O ATOM 36 CB ASP A 3 -2.811 9.241 -1.086 1.00 0.00 C ATOM 37 CG ASP A 3 -1.995 9.488 -2.356 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.679 8.522 -3.031 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.700 10.640 -2.633 1.00 0.00 O ATOM 0 H ASP A 3 -4.484 8.489 0.634 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.104 7.940 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.483 10.080 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.148 9.170 -0.223 1.00 0.00 H new ATOM 44 N ILE A 4 -2.543 5.987 -2.184 1.00 0.00 N ATOM 45 CA ILE A 4 -1.642 4.803 -2.141 1.00 0.00 C ATOM 46 C ILE A 4 -0.313 5.148 -2.819 1.00 0.00 C ATOM 47 O ILE A 4 -0.237 5.284 -4.023 1.00 0.00 O ATOM 48 CB ILE A 4 -2.300 3.633 -2.876 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.546 3.186 -2.107 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.314 2.468 -2.967 1.00 0.00 C ATOM 51 CD1 ILE A 4 -3.162 2.848 -0.666 1.00 0.00 C ATOM 0 H ILE A 4 -3.022 6.136 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.460 4.524 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.584 3.948 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.297 3.976 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.992 2.316 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.783 1.635 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.425 2.785 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.030 2.152 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.049 2.530 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.427 2.044 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.736 3.730 -0.187 1.00 0.00 H new ATOM 63 N LYS A 5 0.734 5.290 -2.054 1.00 0.00 N ATOM 64 CA LYS A 5 2.055 5.627 -2.654 1.00 0.00 C ATOM 65 C LYS A 5 3.092 4.590 -2.220 1.00 0.00 C ATOM 66 O LYS A 5 2.871 3.823 -1.304 1.00 0.00 O ATOM 67 CB LYS A 5 2.492 7.015 -2.181 1.00 0.00 C ATOM 68 CG LYS A 5 1.498 8.063 -2.687 1.00 0.00 C ATOM 69 CD LYS A 5 2.241 9.365 -2.995 1.00 0.00 C ATOM 70 CE LYS A 5 1.728 10.475 -2.075 1.00 0.00 C ATOM 71 NZ LYS A 5 2.883 11.131 -1.399 1.00 0.00 N ATOM 0 H LYS A 5 0.732 5.187 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 5 1.971 5.624 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.542 7.041 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.493 7.239 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.994 7.699 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.727 8.240 -1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.313 9.227 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.091 9.644 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.165 11.209 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.045 10.061 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.536 11.886 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.402 10.427 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.518 11.539 -2.114 1.00 0.00 H new ATOM 85 N ALA A 6 4.224 4.560 -2.869 1.00 0.00 N ATOM 86 CA ALA A 6 5.273 3.573 -2.492 1.00 0.00 C ATOM 87 C ALA A 6 5.962 4.026 -1.201 1.00 0.00 C ATOM 88 O ALA A 6 5.852 5.172 -0.812 1.00 0.00 O ATOM 89 CB ALA A 6 6.308 3.474 -3.615 1.00 0.00 C ATOM 0 H ALA A 6 4.467 5.177 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 6 4.813 2.597 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.076 2.751 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.818 3.150 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.768 4.450 -3.773 1.00 0.00 H new ATOM 95 N PRO A 7 6.655 3.108 -0.577 1.00 0.00 N ATOM 96 CA PRO A 7 7.379 3.375 0.677 1.00 0.00 C ATOM 97 C PRO A 7 8.689 4.114 0.391 1.00 0.00 C ATOM 98 O PRO A 7 9.429 3.762 -0.506 1.00 0.00 O ATOM 99 CB PRO A 7 7.652 1.976 1.238 1.00 0.00 C ATOM 100 CG PRO A 7 7.585 1.004 0.036 1.00 0.00 C ATOM 101 CD PRO A 7 6.779 1.718 -1.064 1.00 0.00 C ATOM 0 HA PRO A 7 6.821 4.005 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.630 1.934 1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.914 1.710 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.586 0.755 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.106 0.068 0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.293 1.677 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.802 1.257 -1.205 1.00 0.00 H new ATOM 109 N THR A 8 8.982 5.137 1.147 1.00 0.00 N ATOM 110 CA THR A 8 10.243 5.896 0.918 1.00 0.00 C ATOM 111 C THR A 8 11.437 4.947 1.027 1.00 0.00 C ATOM 112 O THR A 8 11.522 4.141 1.933 1.00 0.00 O ATOM 113 CB THR A 8 10.371 7.001 1.969 1.00 0.00 C ATOM 114 OG1 THR A 8 9.393 8.002 1.724 1.00 0.00 O ATOM 115 CG2 THR A 8 11.768 7.621 1.894 1.00 0.00 C ATOM 0 H THR A 8 8.402 5.479 1.913 1.00 0.00 H new ATOM 0 HA THR A 8 10.223 6.341 -0.077 1.00 0.00 H new ATOM 0 HB THR A 8 10.217 6.577 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.473 8.709 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.858 8.408 2.643 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.518 6.853 2.083 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.925 8.045 0.902 1.00 0.00 H new ATOM 123 N PHE A 9 12.363 5.035 0.111 1.00 0.00 N ATOM 124 CA PHE A 9 13.551 4.135 0.164 1.00 0.00 C ATOM 125 C PHE A 9 14.702 4.852 0.879 1.00 0.00 C ATOM 126 O PHE A 9 14.815 6.059 0.811 1.00 0.00 O ATOM 127 CB PHE A 9 13.981 3.774 -1.259 1.00 0.00 C ATOM 128 CG PHE A 9 12.757 3.613 -2.128 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.753 2.705 -1.763 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.624 4.369 -3.300 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.618 2.556 -2.570 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.489 4.220 -4.107 1.00 0.00 C ATOM 133 CZ PHE A 9 10.485 3.312 -3.741 1.00 0.00 C ATOM 0 H PHE A 9 12.349 5.690 -0.671 1.00 0.00 H new ATOM 0 HA PHE A 9 13.295 3.226 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.628 4.553 -1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.560 2.850 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.855 2.121 -0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.398 5.068 -3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.844 1.857 -2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.387 4.804 -5.010 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.609 3.196 -4.362 1.00 0.00 H new ATOM 143 N PRO A 10 15.522 4.079 1.543 1.00 0.00 N ATOM 144 CA PRO A 10 16.681 4.603 2.286 1.00 0.00 C ATOM 145 C PRO A 10 17.829 4.930 1.326 1.00 0.00 C ATOM 146 O PRO A 10 17.644 5.009 0.128 1.00 0.00 O ATOM 147 CB PRO A 10 17.061 3.450 3.219 1.00 0.00 C ATOM 148 CG PRO A 10 16.488 2.163 2.577 1.00 0.00 C ATOM 149 CD PRO A 10 15.370 2.611 1.615 1.00 0.00 C ATOM 0 HA PRO A 10 16.464 5.526 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.143 3.380 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.648 3.604 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.265 1.618 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.096 1.491 3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.481 2.150 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.386 2.330 1.990 1.00 0.00 H new ATOM 157 N GLU A 11 19.012 5.120 1.842 1.00 0.00 N ATOM 158 CA GLU A 11 20.168 5.441 0.959 1.00 0.00 C ATOM 159 C GLU A 11 20.574 4.190 0.178 1.00 0.00 C ATOM 160 O GLU A 11 20.744 4.227 -1.025 1.00 0.00 O ATOM 161 CB GLU A 11 21.346 5.914 1.813 1.00 0.00 C ATOM 162 CG GLU A 11 21.630 7.389 1.518 1.00 0.00 C ATOM 163 CD GLU A 11 21.868 8.135 2.833 1.00 0.00 C ATOM 164 OE1 GLU A 11 20.893 8.522 3.456 1.00 0.00 O ATOM 165 OE2 GLU A 11 23.020 8.308 3.193 1.00 0.00 O ATOM 0 H GLU A 11 19.228 5.067 2.837 1.00 0.00 H new ATOM 0 HA GLU A 11 19.886 6.230 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.119 5.781 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.229 5.312 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.503 7.480 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.790 7.832 0.983 1.00 0.00 H new ATOM 172 N SER A 12 20.735 3.084 0.852 1.00 0.00 N ATOM 173 CA SER A 12 21.132 1.831 0.152 1.00 0.00 C ATOM 174 C SER A 12 20.340 1.696 -1.148 1.00 0.00 C ATOM 175 O SER A 12 20.898 1.499 -2.209 1.00 0.00 O ATOM 176 CB SER A 12 20.842 0.631 1.054 1.00 0.00 C ATOM 177 OG SER A 12 21.322 -0.552 0.429 1.00 0.00 O ATOM 0 H SER A 12 20.608 2.995 1.860 1.00 0.00 H new ATOM 0 HA SER A 12 22.197 1.866 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.323 0.765 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.771 0.550 1.238 1.00 0.00 H new ATOM 0 HG SER A 12 21.139 -1.324 1.005 1.00 0.00 H new ATOM 183 N ILE A 13 19.040 1.799 -1.076 1.00 0.00 N ATOM 184 CA ILE A 13 18.213 1.675 -2.310 1.00 0.00 C ATOM 185 C ILE A 13 17.970 3.065 -2.902 1.00 0.00 C ATOM 186 O ILE A 13 17.929 4.052 -2.196 1.00 0.00 O ATOM 187 CB ILE A 13 16.872 1.027 -1.960 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.112 -0.395 -1.449 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.989 0.976 -3.208 1.00 0.00 C ATOM 190 CD1 ILE A 13 16.513 -0.543 -0.049 1.00 0.00 C ATOM 0 H ILE A 13 18.516 1.963 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 13 18.736 1.057 -3.039 1.00 0.00 H new ATOM 0 HB ILE A 13 16.376 1.614 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.659 -1.118 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.181 -0.608 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.033 0.514 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.818 1.988 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.485 0.389 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.684 -1.556 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.986 0.170 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.441 -0.348 -0.089 1.00 0.00 H new ATOM 202 N ALA A 14 17.808 3.148 -4.195 1.00 0.00 N ATOM 203 CA ALA A 14 17.568 4.474 -4.831 1.00 0.00 C ATOM 204 C ALA A 14 16.245 4.440 -5.599 1.00 0.00 C ATOM 205 O ALA A 14 15.949 5.321 -6.382 1.00 0.00 O ATOM 206 CB ALA A 14 18.711 4.790 -5.797 1.00 0.00 C ATOM 0 H ALA A 14 17.832 2.356 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 14 17.520 5.243 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.536 5.760 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.653 4.815 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.759 4.021 -6.568 1.00 0.00 H new ATOM 212 N ASP A 15 15.447 3.431 -5.382 1.00 0.00 N ATOM 213 CA ASP A 15 14.145 3.342 -6.100 1.00 0.00 C ATOM 214 C ASP A 15 13.515 1.971 -5.847 1.00 0.00 C ATOM 215 O ASP A 15 13.978 1.206 -5.024 1.00 0.00 O ATOM 216 CB ASP A 15 14.376 3.529 -7.601 1.00 0.00 C ATOM 217 CG ASP A 15 15.719 2.911 -7.992 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.807 1.693 -8.005 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.637 3.664 -8.270 1.00 0.00 O ATOM 0 H ASP A 15 15.641 2.664 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 15 13.476 4.121 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.570 3.060 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.365 4.590 -7.852 1.00 0.00 H new ATOM 224 N GLY A 16 12.461 1.653 -6.548 1.00 0.00 N ATOM 225 CA GLY A 16 11.803 0.331 -6.347 1.00 0.00 C ATOM 226 C GLY A 16 11.111 -0.098 -7.642 1.00 0.00 C ATOM 227 O GLY A 16 11.293 0.502 -8.683 1.00 0.00 O ATOM 0 H GLY A 16 12.027 2.251 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.542 -0.414 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.076 0.394 -5.538 1.00 0.00 H new ATOM 231 N THR A 17 10.318 -1.133 -7.586 1.00 0.00 N ATOM 232 CA THR A 17 9.615 -1.600 -8.814 1.00 0.00 C ATOM 233 C THR A 17 8.281 -2.243 -8.425 1.00 0.00 C ATOM 234 O THR A 17 8.224 -3.107 -7.574 1.00 0.00 O ATOM 235 CB THR A 17 10.485 -2.628 -9.540 1.00 0.00 C ATOM 236 OG1 THR A 17 11.597 -1.971 -10.132 1.00 0.00 O ATOM 237 CG2 THR A 17 9.661 -3.320 -10.626 1.00 0.00 C ATOM 0 H THR A 17 10.127 -1.675 -6.743 1.00 0.00 H new ATOM 0 HA THR A 17 9.431 -0.751 -9.472 1.00 0.00 H new ATOM 0 HB THR A 17 10.840 -3.373 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.594 -1.026 -9.873 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.282 -4.052 -11.143 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.809 -3.824 -10.170 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.304 -2.578 -11.340 1.00 0.00 H new ATOM 245 N VAL A 18 7.209 -1.827 -9.043 1.00 0.00 N ATOM 246 CA VAL A 18 5.883 -2.416 -8.707 1.00 0.00 C ATOM 247 C VAL A 18 5.964 -3.940 -8.798 1.00 0.00 C ATOM 248 O VAL A 18 6.851 -4.488 -9.423 1.00 0.00 O ATOM 249 CB VAL A 18 4.833 -1.901 -9.693 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.445 -2.370 -9.252 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.867 -0.371 -9.721 1.00 0.00 C ATOM 0 H VAL A 18 7.195 -1.106 -9.765 1.00 0.00 H new ATOM 0 HA VAL A 18 5.603 -2.128 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 18 5.049 -2.289 -10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.697 -2.003 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.419 -3.459 -9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.229 -1.982 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.119 -0.003 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.651 0.016 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.855 -0.035 -10.034 1.00 0.00 H new ATOM 261 N ALA A 19 5.045 -4.631 -8.180 1.00 0.00 N ATOM 262 CA ALA A 19 5.071 -6.120 -8.232 1.00 0.00 C ATOM 263 C ALA A 19 4.058 -6.612 -9.268 1.00 0.00 C ATOM 264 O ALA A 19 4.416 -7.021 -10.355 1.00 0.00 O ATOM 265 CB ALA A 19 4.710 -6.686 -6.858 1.00 0.00 C ATOM 0 H ALA A 19 4.278 -4.229 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 19 6.070 -6.456 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.729 -7.775 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.431 -6.336 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.712 -6.350 -6.577 1.00 0.00 H new ATOM 271 N THR A 20 2.796 -6.576 -8.942 1.00 0.00 N ATOM 272 CA THR A 20 1.763 -7.042 -9.909 1.00 0.00 C ATOM 273 C THR A 20 0.401 -6.460 -9.524 1.00 0.00 C ATOM 274 O THR A 20 0.027 -6.443 -8.368 1.00 0.00 O ATOM 275 CB THR A 20 1.690 -8.571 -9.878 1.00 0.00 C ATOM 276 OG1 THR A 20 2.872 -9.111 -10.452 1.00 0.00 O ATOM 277 CG2 THR A 20 0.473 -9.042 -10.674 1.00 0.00 C ATOM 0 H THR A 20 2.435 -6.244 -8.048 1.00 0.00 H new ATOM 0 HA THR A 20 2.029 -6.709 -10.912 1.00 0.00 H new ATOM 0 HB THR A 20 1.599 -8.910 -8.846 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.410 -8.387 -10.835 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.422 -10.131 -10.651 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.433 -8.627 -10.233 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.561 -8.705 -11.707 1.00 0.00 H new ATOM 285 N TRP A 21 -0.342 -5.980 -10.483 1.00 0.00 N ATOM 286 CA TRP A 21 -1.672 -5.400 -10.182 1.00 0.00 C ATOM 287 C TRP A 21 -2.738 -6.495 -10.251 1.00 0.00 C ATOM 288 O TRP A 21 -3.410 -6.657 -11.251 1.00 0.00 O ATOM 289 CB TRP A 21 -1.978 -4.321 -11.216 1.00 0.00 C ATOM 290 CG TRP A 21 -1.490 -2.998 -10.719 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.307 -2.428 -11.049 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.149 -2.070 -9.810 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.202 -1.211 -10.399 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.308 -0.949 -9.628 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.384 -2.091 -9.133 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.671 0.112 -8.807 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.757 -1.021 -8.301 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.900 0.080 -8.139 1.00 0.00 C ATOM 0 H TRP A 21 -0.079 -5.967 -11.468 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.672 -4.968 -9.181 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.498 -4.565 -12.164 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.051 -4.277 -11.404 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.433 -2.853 -11.711 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.599 -0.585 -10.482 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.048 -2.934 -9.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.008 0.956 -8.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.705 -1.046 -7.785 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.189 0.901 -7.500 1.00 0.00 H new ATOM 309 N HIS A 22 -2.896 -7.251 -9.198 1.00 0.00 N ATOM 310 CA HIS A 22 -3.924 -8.343 -9.212 1.00 0.00 C ATOM 311 C HIS A 22 -5.215 -7.816 -9.840 1.00 0.00 C ATOM 312 O HIS A 22 -5.575 -8.182 -10.942 1.00 0.00 O ATOM 313 CB HIS A 22 -4.223 -8.825 -7.784 1.00 0.00 C ATOM 314 CG HIS A 22 -2.992 -8.690 -6.939 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.637 -7.488 -6.356 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.999 -9.577 -6.610 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.472 -7.674 -5.724 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.035 -8.931 -5.841 1.00 0.00 N ATOM 0 H HIS A 22 -2.364 -7.164 -8.332 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.535 -9.179 -9.793 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.037 -8.240 -7.355 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.552 -9.864 -7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.969 -10.616 -6.902 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.947 -6.900 -5.184 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.181 -9.330 -5.452 1.00 0.00 H new ATOM 326 N LYS A 23 -5.917 -6.962 -9.148 1.00 0.00 N ATOM 327 CA LYS A 23 -7.186 -6.414 -9.704 1.00 0.00 C ATOM 328 C LYS A 23 -6.934 -5.017 -10.276 1.00 0.00 C ATOM 329 O LYS A 23 -5.810 -4.568 -10.370 1.00 0.00 O ATOM 330 CB LYS A 23 -8.235 -6.330 -8.594 1.00 0.00 C ATOM 331 CG LYS A 23 -9.070 -7.611 -8.580 1.00 0.00 C ATOM 332 CD LYS A 23 -10.232 -7.455 -7.598 1.00 0.00 C ATOM 333 CE LYS A 23 -9.687 -7.093 -6.214 1.00 0.00 C ATOM 334 NZ LYS A 23 -10.822 -6.794 -5.296 1.00 0.00 N ATOM 0 H LYS A 23 -5.666 -6.620 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.547 -7.070 -10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.748 -6.191 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.879 -5.465 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.451 -7.820 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.449 -8.459 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.914 -6.679 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.803 -8.382 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.093 -7.917 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.026 -6.229 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.488 -6.193 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.571 -6.297 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.200 -7.683 -4.911 1.00 0.00 H new ATOM 348 N LYS A 24 -7.975 -4.327 -10.658 1.00 0.00 N ATOM 349 CA LYS A 24 -7.798 -2.960 -11.223 1.00 0.00 C ATOM 350 C LYS A 24 -8.718 -1.981 -10.488 1.00 0.00 C ATOM 351 O LYS A 24 -9.601 -2.390 -9.760 1.00 0.00 O ATOM 352 CB LYS A 24 -8.152 -2.975 -12.711 1.00 0.00 C ATOM 353 CG LYS A 24 -6.871 -2.899 -13.543 1.00 0.00 C ATOM 354 CD LYS A 24 -7.110 -2.020 -14.772 1.00 0.00 C ATOM 355 CE LYS A 24 -6.575 -2.727 -16.018 1.00 0.00 C ATOM 356 NZ LYS A 24 -7.716 -3.185 -16.859 1.00 0.00 N ATOM 0 H LYS A 24 -8.940 -4.652 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.762 -2.646 -11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.703 -3.883 -12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.803 -2.134 -12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.059 -2.489 -12.942 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.566 -3.899 -13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.175 -1.817 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.614 -1.058 -14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.938 -2.050 -16.588 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.958 -3.578 -15.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.352 -3.666 -17.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.306 -3.845 -16.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.288 -2.365 -17.145 1.00 0.00 H new ATOM 370 N PRO A 25 -8.480 -0.713 -10.705 1.00 0.00 N ATOM 371 CA PRO A 25 -9.271 0.363 -10.081 1.00 0.00 C ATOM 372 C PRO A 25 -10.622 0.511 -10.787 1.00 0.00 C ATOM 373 O PRO A 25 -10.762 0.195 -11.951 1.00 0.00 O ATOM 374 CB PRO A 25 -8.405 1.609 -10.284 1.00 0.00 C ATOM 375 CG PRO A 25 -7.470 1.301 -11.477 1.00 0.00 C ATOM 376 CD PRO A 25 -7.402 -0.234 -11.595 1.00 0.00 C ATOM 0 HA PRO A 25 -9.498 0.177 -9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.024 2.482 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.829 1.832 -9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.855 1.744 -12.396 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.478 1.722 -11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.559 -0.562 -12.623 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.429 -0.615 -11.284 1.00 0.00 H new ATOM 384 N GLY A 26 -11.616 0.991 -10.090 1.00 0.00 N ATOM 385 CA GLY A 26 -12.956 1.158 -10.721 1.00 0.00 C ATOM 386 C GLY A 26 -13.766 -0.127 -10.549 1.00 0.00 C ATOM 387 O GLY A 26 -14.822 -0.290 -11.127 1.00 0.00 O ATOM 0 H GLY A 26 -11.558 1.274 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.483 1.996 -10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.844 1.391 -11.780 1.00 0.00 H new ATOM 391 N GLU A 27 -13.280 -1.045 -9.757 1.00 0.00 N ATOM 392 CA GLU A 27 -14.023 -2.320 -9.549 1.00 0.00 C ATOM 393 C GLU A 27 -14.509 -2.395 -8.100 1.00 0.00 C ATOM 394 O GLU A 27 -14.382 -1.453 -7.343 1.00 0.00 O ATOM 395 CB GLU A 27 -13.096 -3.503 -9.839 1.00 0.00 C ATOM 396 CG GLU A 27 -12.567 -3.398 -11.270 1.00 0.00 C ATOM 397 CD GLU A 27 -13.648 -3.858 -12.249 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.205 -4.922 -12.029 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.902 -3.140 -13.202 1.00 0.00 O ATOM 0 H GLU A 27 -12.401 -0.966 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.880 -2.357 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.266 -3.510 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.634 -4.441 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.278 -2.370 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.673 -4.011 -11.384 1.00 0.00 H new ATOM 406 N ALA A 28 -15.065 -3.509 -7.708 1.00 0.00 N ATOM 407 CA ALA A 28 -15.558 -3.643 -6.308 1.00 0.00 C ATOM 408 C ALA A 28 -14.396 -4.036 -5.394 1.00 0.00 C ATOM 409 O ALA A 28 -13.636 -4.936 -5.692 1.00 0.00 O ATOM 410 CB ALA A 28 -16.641 -4.720 -6.250 1.00 0.00 C ATOM 0 H ALA A 28 -15.199 -4.331 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.975 -2.692 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.002 -4.818 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.469 -4.439 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.226 -5.672 -6.581 1.00 0.00 H new ATOM 416 N VAL A 29 -14.252 -3.370 -4.281 1.00 0.00 N ATOM 417 CA VAL A 29 -13.140 -3.707 -3.349 1.00 0.00 C ATOM 418 C VAL A 29 -13.714 -4.043 -1.971 1.00 0.00 C ATOM 419 O VAL A 29 -14.618 -3.391 -1.488 1.00 0.00 O ATOM 420 CB VAL A 29 -12.195 -2.511 -3.229 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.931 -2.932 -2.476 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.815 -2.021 -4.627 1.00 0.00 C ATOM 0 H VAL A 29 -14.857 -2.607 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.591 -4.567 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.692 -1.709 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.257 -2.079 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.201 -3.283 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.433 -3.734 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.141 -1.168 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.318 -2.824 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.715 -1.721 -5.164 1.00 0.00 H new ATOM 432 N LYS A 30 -13.196 -5.057 -1.333 1.00 0.00 N ATOM 433 CA LYS A 30 -13.713 -5.433 0.013 1.00 0.00 C ATOM 434 C LYS A 30 -12.587 -5.318 1.041 1.00 0.00 C ATOM 435 O LYS A 30 -11.486 -5.786 0.825 1.00 0.00 O ATOM 436 CB LYS A 30 -14.228 -6.872 -0.022 1.00 0.00 C ATOM 437 CG LYS A 30 -15.691 -6.880 -0.470 1.00 0.00 C ATOM 438 CD LYS A 30 -15.884 -7.934 -1.563 1.00 0.00 C ATOM 439 CE LYS A 30 -17.373 -8.256 -1.705 1.00 0.00 C ATOM 440 NZ LYS A 30 -17.586 -9.101 -2.913 1.00 0.00 N ATOM 0 H LYS A 30 -12.438 -5.641 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.527 -4.763 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.624 -7.469 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.136 -7.326 0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.341 -7.097 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.973 -5.896 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.488 -7.567 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.328 -8.838 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.730 -8.777 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.949 -7.334 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.598 -9.320 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.261 -8.588 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.048 -9.986 -2.817 1.00 0.00 H new ATOM 454 N ARG A 31 -12.852 -4.697 2.159 1.00 0.00 N ATOM 455 CA ARG A 31 -11.799 -4.549 3.201 1.00 0.00 C ATOM 456 C ARG A 31 -11.035 -5.866 3.349 1.00 0.00 C ATOM 457 O ARG A 31 -11.600 -6.937 3.253 1.00 0.00 O ATOM 458 CB ARG A 31 -12.451 -4.185 4.536 1.00 0.00 C ATOM 459 CG ARG A 31 -11.435 -3.457 5.419 1.00 0.00 C ATOM 460 CD ARG A 31 -10.442 -4.468 5.996 1.00 0.00 C ATOM 461 NE ARG A 31 -10.497 -4.422 7.484 1.00 0.00 N ATOM 462 CZ ARG A 31 -10.750 -5.508 8.161 1.00 0.00 C ATOM 463 NH1 ARG A 31 -11.985 -5.886 8.350 1.00 0.00 N ATOM 464 NH2 ARG A 31 -9.769 -6.218 8.649 1.00 0.00 N ATOM 0 H ARG A 31 -13.755 -4.285 2.395 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.107 -3.760 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.322 -3.551 4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.805 -5.086 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.905 -2.703 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.948 -2.934 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.681 -5.471 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.433 -4.241 5.651 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.337 -3.542 7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.752 -5.332 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.183 -6.735 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.804 -5.924 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.968 -7.067 9.178 1.00 0.00 H new ATOM 478 N ASP A 32 -9.753 -5.796 3.583 1.00 0.00 N ATOM 479 CA ASP A 32 -8.954 -7.045 3.738 1.00 0.00 C ATOM 480 C ASP A 32 -8.853 -7.757 2.387 1.00 0.00 C ATOM 481 O ASP A 32 -9.057 -8.950 2.287 1.00 0.00 O ATOM 482 CB ASP A 32 -9.638 -7.965 4.750 1.00 0.00 C ATOM 483 CG ASP A 32 -8.596 -8.879 5.396 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.418 -8.595 5.252 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.992 -9.846 6.025 1.00 0.00 O ATOM 0 H ASP A 32 -9.224 -4.928 3.674 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.954 -6.795 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.141 -7.372 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.404 -8.562 4.255 1.00 0.00 H new ATOM 490 N GLU A 33 -8.541 -7.035 1.347 1.00 0.00 N ATOM 491 CA GLU A 33 -8.428 -7.672 0.004 1.00 0.00 C ATOM 492 C GLU A 33 -7.240 -7.070 -0.748 1.00 0.00 C ATOM 493 O GLU A 33 -7.265 -5.924 -1.150 1.00 0.00 O ATOM 494 CB GLU A 33 -9.713 -7.422 -0.789 1.00 0.00 C ATOM 495 CG GLU A 33 -9.669 -8.218 -2.095 1.00 0.00 C ATOM 496 CD GLU A 33 -10.670 -9.372 -2.023 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.119 -9.674 -0.931 1.00 0.00 O ATOM 498 OE2 GLU A 33 -10.970 -9.936 -3.064 1.00 0.00 O ATOM 0 H GLU A 33 -8.359 -6.032 1.368 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.277 -8.745 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.580 -7.718 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.820 -6.358 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.907 -7.568 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.664 -8.604 -2.264 1.00 0.00 H new ATOM 505 N LEU A 34 -6.198 -7.833 -0.940 1.00 0.00 N ATOM 506 CA LEU A 34 -5.008 -7.308 -1.663 1.00 0.00 C ATOM 507 C LEU A 34 -5.462 -6.504 -2.883 1.00 0.00 C ATOM 508 O LEU A 34 -6.581 -6.630 -3.340 1.00 0.00 O ATOM 509 CB LEU A 34 -4.133 -8.476 -2.121 1.00 0.00 C ATOM 510 CG LEU A 34 -2.877 -7.936 -2.807 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.079 -7.086 -1.816 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.014 -9.106 -3.284 1.00 0.00 C ATOM 0 H LEU A 34 -6.121 -8.800 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.436 -6.663 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.856 -9.094 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.690 -9.113 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.165 -7.324 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.184 -6.701 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.693 -6.252 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.791 -7.698 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.119 -8.722 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.726 -9.718 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.581 -9.712 -3.990 1.00 0.00 H new ATOM 524 N ILE A 35 -4.604 -5.677 -3.414 1.00 0.00 N ATOM 525 CA ILE A 35 -4.989 -4.866 -4.603 1.00 0.00 C ATOM 526 C ILE A 35 -3.751 -4.592 -5.459 1.00 0.00 C ATOM 527 O ILE A 35 -3.801 -4.636 -6.672 1.00 0.00 O ATOM 528 CB ILE A 35 -5.593 -3.539 -4.142 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.944 -3.801 -3.471 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.794 -2.622 -5.349 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.962 -4.235 -4.527 1.00 0.00 C ATOM 0 H ILE A 35 -3.653 -5.528 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.723 -5.415 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.919 -3.061 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.840 -4.575 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.291 -2.901 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.225 -1.676 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.833 -2.436 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.468 -3.099 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.924 -4.422 -4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.073 -3.446 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.615 -5.147 -5.014 1.00 0.00 H new ATOM 543 N VAL A 36 -2.639 -4.311 -4.837 1.00 0.00 N ATOM 544 CA VAL A 36 -1.400 -4.036 -5.618 1.00 0.00 C ATOM 545 C VAL A 36 -0.176 -4.441 -4.795 1.00 0.00 C ATOM 546 O VAL A 36 -0.046 -4.085 -3.640 1.00 0.00 O ATOM 547 CB VAL A 36 -1.322 -2.543 -5.943 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.167 -1.745 -4.648 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.119 -2.281 -6.850 1.00 0.00 C ATOM 0 H VAL A 36 -2.535 -4.260 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.422 -4.610 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.235 -2.235 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.111 -0.682 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.024 -1.931 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.254 -2.053 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.063 -1.217 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.794 -2.590 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.230 -2.848 -7.774 1.00 0.00 H new ATOM 559 N ASP A 37 0.724 -5.184 -5.380 1.00 0.00 N ATOM 560 CA ASP A 37 1.940 -5.610 -4.630 1.00 0.00 C ATOM 561 C ASP A 37 3.104 -4.680 -4.975 1.00 0.00 C ATOM 562 O ASP A 37 3.007 -3.853 -5.860 1.00 0.00 O ATOM 563 CB ASP A 37 2.300 -7.046 -5.020 1.00 0.00 C ATOM 564 CG ASP A 37 1.584 -8.024 -4.085 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.700 -7.586 -3.367 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.932 -9.193 -4.104 1.00 0.00 O ATOM 0 H ASP A 37 0.670 -5.514 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 37 1.743 -5.562 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.011 -7.237 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.379 -7.191 -4.959 1.00 0.00 H new ATOM 571 N ILE A 38 4.204 -4.809 -4.286 1.00 0.00 N ATOM 572 CA ILE A 38 5.372 -3.931 -4.577 1.00 0.00 C ATOM 573 C ILE A 38 6.657 -4.759 -4.524 1.00 0.00 C ATOM 574 O ILE A 38 6.677 -5.860 -4.013 1.00 0.00 O ATOM 575 CB ILE A 38 5.442 -2.813 -3.535 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.023 -2.394 -3.142 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.183 -1.611 -4.124 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.088 -1.179 -2.215 1.00 0.00 C ATOM 0 H ILE A 38 4.345 -5.484 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 38 5.261 -3.495 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 38 5.974 -3.171 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.443 -2.154 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.514 -3.219 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.233 -0.815 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.193 -1.908 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.652 -1.252 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.078 -0.880 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.652 -1.435 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.580 -0.354 -2.730 1.00 0.00 H new ATOM 590 N GLU A 39 7.732 -4.237 -5.050 1.00 0.00 N ATOM 591 CA GLU A 39 9.014 -4.996 -5.030 1.00 0.00 C ATOM 592 C GLU A 39 10.143 -4.076 -4.557 1.00 0.00 C ATOM 593 O GLU A 39 10.191 -2.911 -4.896 1.00 0.00 O ATOM 594 CB GLU A 39 9.329 -5.505 -6.438 1.00 0.00 C ATOM 595 CG GLU A 39 8.120 -6.265 -6.987 1.00 0.00 C ATOM 596 CD GLU A 39 8.483 -6.901 -8.330 1.00 0.00 C ATOM 597 OE1 GLU A 39 8.761 -6.159 -9.258 1.00 0.00 O ATOM 598 OE2 GLU A 39 8.476 -8.119 -8.407 1.00 0.00 O ATOM 0 H GLU A 39 7.777 -3.319 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 39 8.924 -5.843 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.574 -4.669 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.202 -6.157 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.810 -7.035 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.276 -5.586 -7.110 1.00 0.00 H new ATOM 605 N THR A 40 11.053 -4.592 -3.776 1.00 0.00 N ATOM 606 CA THR A 40 12.177 -3.748 -3.282 1.00 0.00 C ATOM 607 C THR A 40 13.507 -4.425 -3.616 1.00 0.00 C ATOM 608 O THR A 40 13.581 -5.278 -4.478 1.00 0.00 O ATOM 609 CB THR A 40 12.057 -3.574 -1.767 1.00 0.00 C ATOM 610 OG1 THR A 40 10.821 -4.118 -1.326 1.00 0.00 O ATOM 611 CG2 THR A 40 12.118 -2.087 -1.415 1.00 0.00 C ATOM 0 H THR A 40 11.066 -5.561 -3.459 1.00 0.00 H new ATOM 0 HA THR A 40 12.137 -2.771 -3.763 1.00 0.00 H new ATOM 0 HB THR A 40 12.879 -4.094 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.873 -5.097 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.032 -1.965 -0.335 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.067 -1.672 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.298 -1.563 -1.906 1.00 0.00 H new ATOM 619 N ASP A 41 14.560 -4.051 -2.940 1.00 0.00 N ATOM 620 CA ASP A 41 15.886 -4.669 -3.215 1.00 0.00 C ATOM 621 C ASP A 41 15.721 -6.181 -3.387 1.00 0.00 C ATOM 622 O ASP A 41 15.982 -6.726 -4.441 1.00 0.00 O ATOM 623 CB ASP A 41 16.832 -4.389 -2.045 1.00 0.00 C ATOM 624 CG ASP A 41 18.278 -4.416 -2.542 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.830 -5.499 -2.640 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.810 -3.351 -2.813 1.00 0.00 O ATOM 0 H ASP A 41 14.557 -3.342 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 41 16.301 -4.244 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.606 -3.418 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.691 -5.135 -1.263 1.00 0.00 H new ATOM 631 N LYS A 42 15.290 -6.861 -2.361 1.00 0.00 N ATOM 632 CA LYS A 42 15.109 -8.336 -2.467 1.00 0.00 C ATOM 633 C LYS A 42 13.909 -8.764 -1.620 1.00 0.00 C ATOM 634 O LYS A 42 13.795 -9.905 -1.220 1.00 0.00 O ATOM 635 CB LYS A 42 16.369 -9.042 -1.961 1.00 0.00 C ATOM 636 CG LYS A 42 17.606 -8.382 -2.574 1.00 0.00 C ATOM 637 CD LYS A 42 18.791 -9.345 -2.497 1.00 0.00 C ATOM 638 CE LYS A 42 19.841 -8.948 -3.536 1.00 0.00 C ATOM 639 NZ LYS A 42 21.154 -8.743 -2.862 1.00 0.00 N ATOM 0 H LYS A 42 15.055 -6.459 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 42 14.934 -8.607 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.417 -8.988 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.338 -10.099 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.410 -8.112 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.839 -7.459 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.226 -9.323 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.455 -10.366 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.928 -9.724 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.536 -8.035 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.868 -8.473 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.066 -7.988 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.446 -9.625 -2.394 1.00 0.00 H new ATOM 653 N VAL A 43 13.013 -7.857 -1.342 1.00 0.00 N ATOM 654 CA VAL A 43 11.823 -8.213 -0.520 1.00 0.00 C ATOM 655 C VAL A 43 10.550 -7.786 -1.255 1.00 0.00 C ATOM 656 O VAL A 43 10.490 -6.727 -1.848 1.00 0.00 O ATOM 657 CB VAL A 43 11.899 -7.493 0.827 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.094 -8.272 1.869 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.360 -7.404 1.274 1.00 0.00 C ATOM 0 H VAL A 43 13.054 -6.885 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 43 11.804 -9.290 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 43 11.487 -6.489 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.148 -7.759 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.054 -8.337 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.506 -9.276 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.416 -6.891 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.772 -8.408 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.934 -6.849 0.532 1.00 0.00 H new ATOM 669 N VAL A 44 9.532 -8.602 -1.221 1.00 0.00 N ATOM 670 CA VAL A 44 8.266 -8.242 -1.918 1.00 0.00 C ATOM 671 C VAL A 44 7.212 -7.841 -0.883 1.00 0.00 C ATOM 672 O VAL A 44 7.031 -8.502 0.120 1.00 0.00 O ATOM 673 CB VAL A 44 7.763 -9.444 -2.717 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.312 -10.546 -1.756 1.00 0.00 C ATOM 675 CG2 VAL A 44 6.581 -9.017 -3.591 1.00 0.00 C ATOM 0 H VAL A 44 9.523 -9.502 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 44 8.449 -7.407 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 44 8.567 -9.820 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.954 -11.402 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.152 -10.851 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.508 -10.170 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.222 -9.874 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.778 -8.640 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.901 -8.233 -4.277 1.00 0.00 H new ATOM 685 N MET A 45 6.516 -6.762 -1.118 1.00 0.00 N ATOM 686 CA MET A 45 5.475 -6.321 -0.146 1.00 0.00 C ATOM 687 C MET A 45 4.093 -6.441 -0.790 1.00 0.00 C ATOM 688 O MET A 45 3.956 -6.901 -1.907 1.00 0.00 O ATOM 689 CB MET A 45 5.731 -4.865 0.247 1.00 0.00 C ATOM 690 CG MET A 45 6.907 -4.798 1.223 1.00 0.00 C ATOM 691 SD MET A 45 6.672 -3.407 2.357 1.00 0.00 S ATOM 692 CE MET A 45 6.096 -2.208 1.129 1.00 0.00 C ATOM 0 H MET A 45 6.623 -6.167 -1.940 1.00 0.00 H new ATOM 0 HA MET A 45 5.516 -6.950 0.743 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.947 -4.270 -0.641 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.839 -4.439 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.981 -5.730 1.784 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.842 -4.680 0.675 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.241 -1.198 1.511 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.663 -2.332 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.037 -2.372 0.929 1.00 0.00 H new ATOM 702 N GLU A 46 3.067 -6.033 -0.094 1.00 0.00 N ATOM 703 CA GLU A 46 1.694 -6.125 -0.668 1.00 0.00 C ATOM 704 C GLU A 46 0.872 -4.916 -0.216 1.00 0.00 C ATOM 705 O GLU A 46 1.210 -4.245 0.739 1.00 0.00 O ATOM 706 CB GLU A 46 1.023 -7.410 -0.181 1.00 0.00 C ATOM 707 CG GLU A 46 1.811 -8.621 -0.683 1.00 0.00 C ATOM 708 CD GLU A 46 1.424 -9.857 0.131 1.00 0.00 C ATOM 709 OE1 GLU A 46 1.781 -9.910 1.296 1.00 0.00 O ATOM 710 OE2 GLU A 46 0.777 -10.729 -0.425 1.00 0.00 O ATOM 0 H GLU A 46 3.120 -5.640 0.846 1.00 0.00 H new ATOM 0 HA GLU A 46 1.754 -6.138 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.978 -7.419 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.004 -7.456 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.604 -8.790 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.881 -8.434 -0.593 1.00 0.00 H new ATOM 717 N VAL A 47 -0.206 -4.633 -0.895 1.00 0.00 N ATOM 718 CA VAL A 47 -1.048 -3.467 -0.504 1.00 0.00 C ATOM 719 C VAL A 47 -2.525 -3.862 -0.562 1.00 0.00 C ATOM 720 O VAL A 47 -3.089 -4.036 -1.624 1.00 0.00 O ATOM 721 CB VAL A 47 -0.792 -2.307 -1.468 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.658 -1.110 -1.068 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.684 -1.910 -1.405 1.00 0.00 C ATOM 0 H VAL A 47 -0.540 -5.158 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.794 -3.159 0.510 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.044 -2.615 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.476 -0.283 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.710 -1.392 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.406 -0.801 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.868 -1.084 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.935 -1.602 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.302 -2.762 -1.689 1.00 0.00 H new ATOM 733 N LEU A 48 -3.156 -4.004 0.572 1.00 0.00 N ATOM 734 CA LEU A 48 -4.590 -4.386 0.585 1.00 0.00 C ATOM 735 C LEU A 48 -5.442 -3.150 0.880 1.00 0.00 C ATOM 736 O LEU A 48 -5.024 -2.248 1.578 1.00 0.00 O ATOM 737 CB LEU A 48 -4.839 -5.445 1.666 1.00 0.00 C ATOM 738 CG LEU A 48 -3.721 -5.429 2.714 1.00 0.00 C ATOM 739 CD1 LEU A 48 -4.167 -6.215 3.948 1.00 0.00 C ATOM 740 CD2 LEU A 48 -2.464 -6.076 2.127 1.00 0.00 C ATOM 0 H LEU A 48 -2.735 -3.871 1.492 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.860 -4.796 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.798 -5.259 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.899 -6.432 1.207 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.504 -4.399 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.372 -6.204 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.063 -5.757 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.384 -7.245 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.668 -6.065 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.683 -7.106 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.145 -5.518 1.247 1.00 0.00 H new ATOM 752 N ALA A 49 -6.635 -3.101 0.352 1.00 0.00 N ATOM 753 CA ALA A 49 -7.511 -1.922 0.602 1.00 0.00 C ATOM 754 C ALA A 49 -7.837 -1.837 2.095 1.00 0.00 C ATOM 755 O ALA A 49 -7.939 -2.838 2.777 1.00 0.00 O ATOM 756 CB ALA A 49 -8.809 -2.074 -0.194 1.00 0.00 C ATOM 0 H ALA A 49 -7.040 -3.826 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.996 -1.014 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.451 -1.212 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.578 -2.136 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.324 -2.982 0.119 1.00 0.00 H new ATOM 762 N GLU A 50 -8.000 -0.648 2.609 1.00 0.00 N ATOM 763 CA GLU A 50 -8.318 -0.500 4.057 1.00 0.00 C ATOM 764 C GLU A 50 -9.836 -0.435 4.242 1.00 0.00 C ATOM 765 O GLU A 50 -10.328 -0.129 5.310 1.00 0.00 O ATOM 766 CB GLU A 50 -7.685 0.786 4.590 1.00 0.00 C ATOM 767 CG GLU A 50 -6.696 0.444 5.706 1.00 0.00 C ATOM 768 CD GLU A 50 -6.346 1.714 6.485 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.131 2.647 6.443 1.00 0.00 O ATOM 770 OE2 GLU A 50 -5.298 1.731 7.110 1.00 0.00 O ATOM 0 H GLU A 50 -7.927 0.226 2.089 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.921 -1.355 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.173 1.313 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.458 1.455 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.130 -0.298 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.793 0.003 5.284 1.00 0.00 H new ATOM 777 N ALA A 51 -10.582 -0.722 3.210 1.00 0.00 N ATOM 778 CA ALA A 51 -12.066 -0.676 3.328 1.00 0.00 C ATOM 779 C ALA A 51 -12.689 -0.663 1.930 1.00 0.00 C ATOM 780 O ALA A 51 -12.058 -0.284 0.963 1.00 0.00 O ATOM 781 CB ALA A 51 -12.479 0.589 4.083 1.00 0.00 C ATOM 0 H ALA A 51 -10.227 -0.986 2.291 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.414 -1.554 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.565 0.623 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.036 0.579 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.131 1.467 3.539 1.00 0.00 H new ATOM 787 N ASP A 52 -13.922 -1.074 1.817 1.00 0.00 N ATOM 788 CA ASP A 52 -14.583 -1.085 0.481 1.00 0.00 C ATOM 789 C ASP A 52 -14.736 0.353 -0.021 1.00 0.00 C ATOM 790 O ASP A 52 -14.500 1.305 0.697 1.00 0.00 O ATOM 791 CB ASP A 52 -15.957 -1.771 0.603 1.00 0.00 C ATOM 792 CG ASP A 52 -16.955 -1.200 -0.413 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.579 -0.199 -0.103 1.00 0.00 O ATOM 794 OD2 ASP A 52 -17.076 -1.775 -1.483 1.00 0.00 O ATOM 0 H ASP A 52 -14.500 -1.402 2.591 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.977 -1.640 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.846 -2.844 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.345 -1.637 1.613 1.00 0.00 H new ATOM 799 N GLY A 53 -15.130 0.510 -1.251 1.00 0.00 N ATOM 800 CA GLY A 53 -15.303 1.880 -1.815 1.00 0.00 C ATOM 801 C GLY A 53 -15.061 1.845 -3.325 1.00 0.00 C ATOM 802 O GLY A 53 -15.408 0.893 -3.997 1.00 0.00 O ATOM 0 H GLY A 53 -15.341 -0.253 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.308 2.247 -1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.606 2.571 -1.340 1.00 0.00 H new ATOM 806 N VAL A 54 -14.469 2.875 -3.865 1.00 0.00 N ATOM 807 CA VAL A 54 -14.206 2.898 -5.331 1.00 0.00 C ATOM 808 C VAL A 54 -12.807 3.462 -5.590 1.00 0.00 C ATOM 809 O VAL A 54 -12.477 4.551 -5.163 1.00 0.00 O ATOM 810 CB VAL A 54 -15.246 3.781 -6.022 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.816 4.045 -7.466 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.600 3.067 -6.018 1.00 0.00 C ATOM 0 H VAL A 54 -14.156 3.701 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.269 1.884 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.329 4.728 -5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.558 4.674 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.850 4.551 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.733 3.098 -8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.343 3.694 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.514 2.120 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.908 2.877 -4.990 1.00 0.00 H new ATOM 822 N ILE A 55 -11.982 2.728 -6.285 1.00 0.00 N ATOM 823 CA ILE A 55 -10.606 3.221 -6.571 1.00 0.00 C ATOM 824 C ILE A 55 -10.664 4.298 -7.656 1.00 0.00 C ATOM 825 O ILE A 55 -11.694 4.532 -8.257 1.00 0.00 O ATOM 826 CB ILE A 55 -9.741 2.056 -7.054 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.921 0.864 -6.108 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.271 2.482 -7.071 1.00 0.00 C ATOM 829 CD1 ILE A 55 -9.181 1.130 -4.795 1.00 0.00 C ATOM 0 H ILE A 55 -12.202 1.808 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.175 3.644 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.044 1.770 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.981 0.700 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.538 -0.044 -6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.655 1.651 -7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.146 3.330 -7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.964 2.769 -6.065 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.312 0.280 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.120 1.272 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.584 2.027 -4.325 1.00 0.00 H new ATOM 841 N ALA A 56 -9.567 4.956 -7.913 1.00 0.00 N ATOM 842 CA ALA A 56 -9.562 6.016 -8.959 1.00 0.00 C ATOM 843 C ALA A 56 -8.901 5.477 -10.230 1.00 0.00 C ATOM 844 O ALA A 56 -9.519 5.384 -11.271 1.00 0.00 O ATOM 845 CB ALA A 56 -8.780 7.230 -8.453 1.00 0.00 C ATOM 0 H ALA A 56 -8.674 4.805 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.588 6.311 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.777 8.006 -9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.251 7.615 -7.549 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.754 6.935 -8.231 1.00 0.00 H new ATOM 851 N GLU A 57 -7.648 5.121 -10.153 1.00 0.00 N ATOM 852 CA GLU A 57 -6.950 4.588 -11.358 1.00 0.00 C ATOM 853 C GLU A 57 -5.463 4.406 -11.049 1.00 0.00 C ATOM 854 O GLU A 57 -4.939 4.979 -10.112 1.00 0.00 O ATOM 855 CB GLU A 57 -7.113 5.572 -12.518 1.00 0.00 C ATOM 856 CG GLU A 57 -6.908 7.001 -12.009 1.00 0.00 C ATOM 857 CD GLU A 57 -7.430 7.994 -13.048 1.00 0.00 C ATOM 858 OE1 GLU A 57 -8.509 7.764 -13.569 1.00 0.00 O ATOM 859 OE2 GLU A 57 -6.742 8.968 -13.306 1.00 0.00 O ATOM 0 H GLU A 57 -7.078 5.176 -9.309 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.383 3.626 -11.633 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.391 5.347 -13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.105 5.470 -12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.432 7.140 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.850 7.182 -11.817 1.00 0.00 H new ATOM 866 N ILE A 58 -4.778 3.615 -11.827 1.00 0.00 N ATOM 867 CA ILE A 58 -3.325 3.398 -11.577 1.00 0.00 C ATOM 868 C ILE A 58 -2.514 4.433 -12.358 1.00 0.00 C ATOM 869 O ILE A 58 -2.863 4.809 -13.458 1.00 0.00 O ATOM 870 CB ILE A 58 -2.933 1.993 -12.037 1.00 0.00 C ATOM 871 CG1 ILE A 58 -3.975 0.986 -11.543 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.563 1.629 -11.461 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.735 0.411 -12.740 1.00 0.00 C ATOM 0 H ILE A 58 -5.161 3.109 -12.625 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.120 3.503 -10.512 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.888 1.968 -13.126 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.487 0.184 -10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.669 1.471 -10.857 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.285 0.628 -11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.819 2.345 -11.810 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.608 1.654 -10.372 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.477 -0.306 -12.389 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.235 1.218 -13.275 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.035 -0.089 -13.409 1.00 0.00 H new ATOM 885 N VAL A 59 -1.431 4.898 -11.796 1.00 0.00 N ATOM 886 CA VAL A 59 -0.599 5.909 -12.506 1.00 0.00 C ATOM 887 C VAL A 59 0.595 5.215 -13.165 1.00 0.00 C ATOM 888 O VAL A 59 1.194 5.730 -14.088 1.00 0.00 O ATOM 889 CB VAL A 59 -0.095 6.949 -11.505 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.948 7.844 -12.177 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.270 7.808 -11.030 1.00 0.00 C ATOM 0 H VAL A 59 -1.087 4.621 -10.876 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.200 6.402 -13.270 1.00 0.00 H new ATOM 0 HB VAL A 59 0.357 6.442 -10.652 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.306 8.585 -11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.785 7.235 -12.518 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.497 8.351 -13.030 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.913 8.550 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.720 8.313 -11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.015 7.173 -10.551 1.00 0.00 H new ATOM 901 N LYS A 60 0.947 4.049 -12.696 1.00 0.00 N ATOM 902 CA LYS A 60 2.102 3.323 -13.295 1.00 0.00 C ATOM 903 C LYS A 60 1.634 1.968 -13.829 1.00 0.00 C ATOM 904 O LYS A 60 0.454 1.680 -13.869 1.00 0.00 O ATOM 905 CB LYS A 60 3.176 3.106 -12.226 1.00 0.00 C ATOM 906 CG LYS A 60 4.481 3.770 -12.671 1.00 0.00 C ATOM 907 CD LYS A 60 4.243 5.264 -12.898 1.00 0.00 C ATOM 908 CE LYS A 60 5.587 5.995 -12.942 1.00 0.00 C ATOM 909 NZ LYS A 60 5.376 7.394 -13.410 1.00 0.00 N ATOM 0 H LYS A 60 0.485 3.568 -11.924 1.00 0.00 H new ATOM 0 HA LYS A 60 2.516 3.912 -14.114 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.848 3.526 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.334 2.040 -12.066 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.252 3.625 -11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.843 3.305 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.702 5.419 -13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.622 5.670 -12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.045 5.996 -11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.274 5.476 -13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.289 7.891 -13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.957 7.382 -14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.735 7.886 -12.755 1.00 0.00 H new ATOM 923 N ASN A 61 2.549 1.134 -14.241 1.00 0.00 N ATOM 924 CA ASN A 61 2.155 -0.201 -14.774 1.00 0.00 C ATOM 925 C ASN A 61 2.857 -1.299 -13.971 1.00 0.00 C ATOM 926 O ASN A 61 3.762 -1.039 -13.204 1.00 0.00 O ATOM 927 CB ASN A 61 2.564 -0.304 -16.244 1.00 0.00 C ATOM 928 CG ASN A 61 1.966 0.869 -17.024 1.00 0.00 C ATOM 929 OD1 ASN A 61 2.633 1.471 -17.842 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.729 1.219 -16.805 1.00 0.00 N ATOM 0 H ASN A 61 3.552 1.319 -14.232 1.00 0.00 H new ATOM 0 HA ASN A 61 1.075 -0.322 -14.688 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.650 -0.296 -16.332 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.217 -1.248 -16.664 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.321 1.999 -17.321 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.170 0.713 -16.118 1.00 0.00 H new ATOM 937 N GLU A 62 2.444 -2.526 -14.141 1.00 0.00 N ATOM 938 CA GLU A 62 3.087 -3.639 -13.387 1.00 0.00 C ATOM 939 C GLU A 62 4.492 -3.886 -13.939 1.00 0.00 C ATOM 940 O GLU A 62 4.729 -3.792 -15.127 1.00 0.00 O ATOM 941 CB GLU A 62 2.251 -4.915 -13.539 1.00 0.00 C ATOM 942 CG GLU A 62 0.775 -4.552 -13.717 1.00 0.00 C ATOM 943 CD GLU A 62 0.370 -4.760 -15.178 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.238 -4.673 -16.030 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.801 -5.003 -15.418 1.00 0.00 O ATOM 0 H GLU A 62 1.690 -2.805 -14.769 1.00 0.00 H new ATOM 0 HA GLU A 62 3.151 -3.369 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.600 -5.489 -14.398 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.375 -5.549 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.157 -5.170 -13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.607 -3.515 -13.426 1.00 0.00 H new ATOM 952 N GLY A 63 5.427 -4.205 -13.085 1.00 0.00 N ATOM 953 CA GLY A 63 6.817 -4.461 -13.561 1.00 0.00 C ATOM 954 C GLY A 63 7.478 -3.140 -13.958 1.00 0.00 C ATOM 955 O GLY A 63 8.475 -3.119 -14.651 1.00 0.00 O ATOM 0 H GLY A 63 5.289 -4.299 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.397 -4.947 -12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.800 -5.141 -14.413 1.00 0.00 H new ATOM 959 N ASP A 64 6.931 -2.037 -13.526 1.00 0.00 N ATOM 960 CA ASP A 64 7.534 -0.721 -13.882 1.00 0.00 C ATOM 961 C ASP A 64 8.357 -0.204 -12.699 1.00 0.00 C ATOM 962 O ASP A 64 8.322 -0.750 -11.613 1.00 0.00 O ATOM 963 CB ASP A 64 6.411 0.270 -14.241 1.00 0.00 C ATOM 964 CG ASP A 64 6.809 1.709 -13.894 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.444 2.344 -14.720 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.473 2.149 -12.808 1.00 0.00 O ATOM 0 H ASP A 64 6.095 -1.990 -12.944 1.00 0.00 H new ATOM 0 HA ASP A 64 8.193 -0.830 -14.743 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.186 0.199 -15.305 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.501 0.002 -13.704 1.00 0.00 H new ATOM 971 N THR A 65 9.099 0.845 -12.909 1.00 0.00 N ATOM 972 CA THR A 65 9.930 1.408 -11.808 1.00 0.00 C ATOM 973 C THR A 65 9.128 2.471 -11.054 1.00 0.00 C ATOM 974 O THR A 65 8.233 3.089 -11.597 1.00 0.00 O ATOM 975 CB THR A 65 11.194 2.043 -12.396 1.00 0.00 C ATOM 976 OG1 THR A 65 12.112 2.322 -11.349 1.00 0.00 O ATOM 977 CG2 THR A 65 10.827 3.342 -13.116 1.00 0.00 C ATOM 0 H THR A 65 9.167 1.339 -13.799 1.00 0.00 H new ATOM 0 HA THR A 65 10.210 0.610 -11.120 1.00 0.00 H new ATOM 0 HB THR A 65 11.651 1.354 -13.106 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.868 1.804 -10.554 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.727 3.793 -13.534 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.123 3.126 -13.919 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.370 4.034 -12.408 1.00 0.00 H new ATOM 985 N VAL A 66 9.442 2.691 -9.807 1.00 0.00 N ATOM 986 CA VAL A 66 8.698 3.715 -9.020 1.00 0.00 C ATOM 987 C VAL A 66 9.691 4.597 -8.261 1.00 0.00 C ATOM 988 O VAL A 66 10.718 4.139 -7.802 1.00 0.00 O ATOM 989 CB VAL A 66 7.771 3.017 -8.024 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.868 2.031 -8.768 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.611 2.260 -6.993 1.00 0.00 C ATOM 0 H VAL A 66 10.182 2.206 -9.299 1.00 0.00 H new ATOM 0 HA VAL A 66 8.107 4.333 -9.696 1.00 0.00 H new ATOM 0 HB VAL A 66 7.155 3.761 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.208 1.534 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.270 2.569 -9.503 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.482 1.286 -9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.952 1.762 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.226 1.517 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.254 2.962 -6.462 1.00 0.00 H new ATOM 1001 N LEU A 67 9.391 5.860 -8.124 1.00 0.00 N ATOM 1002 CA LEU A 67 10.318 6.771 -7.395 1.00 0.00 C ATOM 1003 C LEU A 67 9.911 6.837 -5.922 1.00 0.00 C ATOM 1004 O LEU A 67 8.798 6.507 -5.559 1.00 0.00 O ATOM 1005 CB LEU A 67 10.245 8.171 -8.007 1.00 0.00 C ATOM 1006 CG LEU A 67 11.445 8.389 -8.929 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.734 8.354 -8.107 1.00 0.00 C ATOM 1008 CD2 LEU A 67 11.484 7.280 -9.983 1.00 0.00 C ATOM 0 H LEU A 67 8.545 6.300 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 67 11.337 6.393 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.317 8.286 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.237 8.924 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 67 11.354 9.358 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.589 8.509 -8.765 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.707 9.142 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.826 7.386 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.339 7.434 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.575 6.312 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.566 7.303 -10.570 1.00 0.00 H new ATOM 1020 N SER A 68 10.802 7.259 -5.067 1.00 0.00 N ATOM 1021 CA SER A 68 10.465 7.345 -3.619 1.00 0.00 C ATOM 1022 C SER A 68 9.181 8.158 -3.441 1.00 0.00 C ATOM 1023 O SER A 68 9.114 9.317 -3.801 1.00 0.00 O ATOM 1024 CB SER A 68 11.609 8.027 -2.869 1.00 0.00 C ATOM 1025 OG SER A 68 11.124 8.531 -1.631 1.00 0.00 O ATOM 0 H SER A 68 11.750 7.548 -5.310 1.00 0.00 H new ATOM 0 HA SER A 68 10.317 6.341 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.418 7.318 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.020 8.839 -3.469 1.00 0.00 H new ATOM 0 HG SER A 68 11.855 8.968 -1.147 1.00 0.00 H new ATOM 1031 N GLY A 69 8.162 7.561 -2.887 1.00 0.00 N ATOM 1032 CA GLY A 69 6.884 8.301 -2.685 1.00 0.00 C ATOM 1033 C GLY A 69 6.164 8.454 -4.027 1.00 0.00 C ATOM 1034 O GLY A 69 5.495 9.438 -4.275 1.00 0.00 O ATOM 0 H GLY A 69 8.159 6.593 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.249 7.766 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.084 9.282 -2.254 1.00 0.00 H new ATOM 1038 N GLU A 70 6.296 7.489 -4.894 1.00 0.00 N ATOM 1039 CA GLU A 70 5.619 7.580 -6.219 1.00 0.00 C ATOM 1040 C GLU A 70 4.131 7.269 -6.055 1.00 0.00 C ATOM 1041 O GLU A 70 3.752 6.359 -5.344 1.00 0.00 O ATOM 1042 CB GLU A 70 6.247 6.570 -7.182 1.00 0.00 C ATOM 1043 CG GLU A 70 5.717 6.817 -8.597 1.00 0.00 C ATOM 1044 CD GLU A 70 6.643 7.792 -9.327 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.554 8.978 -9.056 1.00 0.00 O ATOM 1046 OE2 GLU A 70 7.426 7.336 -10.144 1.00 0.00 O ATOM 0 H GLU A 70 6.843 6.641 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 70 5.737 8.587 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.333 6.664 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.011 5.554 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.658 5.876 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.706 7.223 -8.552 1.00 0.00 H new ATOM 1053 N LEU A 71 3.283 8.018 -6.705 1.00 0.00 N ATOM 1054 CA LEU A 71 1.820 7.765 -6.585 1.00 0.00 C ATOM 1055 C LEU A 71 1.436 6.570 -7.460 1.00 0.00 C ATOM 1056 O LEU A 71 1.751 6.521 -8.632 1.00 0.00 O ATOM 1057 CB LEU A 71 1.048 9.003 -7.044 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.453 8.762 -6.877 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.001 9.687 -5.789 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.166 9.053 -8.198 1.00 0.00 C ATOM 0 H LEU A 71 3.541 8.795 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 71 1.573 7.549 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.354 9.872 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.278 9.222 -8.087 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.624 7.724 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.071 9.515 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.493 9.481 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.830 10.725 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.236 8.881 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.994 10.091 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.777 8.394 -8.974 1.00 0.00 H new ATOM 1072 N LEU A 72 0.755 5.608 -6.900 1.00 0.00 N ATOM 1073 CA LEU A 72 0.351 4.418 -7.702 1.00 0.00 C ATOM 1074 C LEU A 72 -1.146 4.494 -8.008 1.00 0.00 C ATOM 1075 O LEU A 72 -1.626 3.905 -8.957 1.00 0.00 O ATOM 1076 CB LEU A 72 0.644 3.144 -6.907 1.00 0.00 C ATOM 1077 CG LEU A 72 1.953 3.314 -6.134 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.120 2.155 -5.149 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.127 3.319 -7.116 1.00 0.00 C ATOM 0 H LEU A 72 0.461 5.594 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 72 0.913 4.401 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.174 2.937 -6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.716 2.290 -7.581 1.00 0.00 H new ATOM 0 HG LEU A 72 1.931 4.256 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.053 2.277 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.284 2.149 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.142 1.213 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.061 3.440 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.148 2.377 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.010 4.144 -7.819 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.887 5.215 -7.213 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.353 5.329 -7.460 1.00 0.00 C ATOM 1093 C GLY A 73 -4.015 6.053 -6.286 1.00 0.00 C ATOM 1094 O GLY A 73 -3.397 6.299 -5.269 1.00 0.00 O ATOM 0 H GLY A 73 -1.542 5.730 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.535 5.874 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.790 4.338 -7.582 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.267 6.395 -6.417 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.966 7.101 -5.308 1.00 0.00 C ATOM 1100 C LYS A 74 -7.265 6.366 -4.973 1.00 0.00 C ATOM 1101 O LYS A 74 -7.998 5.951 -5.849 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.289 8.534 -5.739 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.992 9.335 -5.863 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.265 10.803 -5.531 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.197 11.639 -6.810 1.00 0.00 C ATOM 1106 NZ LYS A 74 -4.251 12.774 -6.614 1.00 0.00 N ATOM 0 H LYS A 74 -5.836 6.216 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.322 7.121 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.817 8.528 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.951 9.004 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.238 8.933 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.593 9.248 -6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.247 10.905 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.534 11.165 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.870 11.019 -7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.188 12.017 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.205 13.342 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.582 13.370 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.305 12.403 -6.393 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.556 6.199 -3.711 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.807 5.490 -3.323 1.00 0.00 C ATOM 1122 C LEU A 75 -9.896 6.515 -3.000 1.00 0.00 C ATOM 1123 O LEU A 75 -9.616 7.619 -2.573 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.540 4.624 -2.090 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.706 3.657 -1.883 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.164 2.253 -1.608 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.548 4.121 -0.691 1.00 0.00 C ATOM 0 H LEU A 75 -6.981 6.523 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.137 4.858 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.611 4.068 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.416 5.255 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.324 3.638 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.996 1.564 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.565 1.922 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.545 2.271 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.380 3.432 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.929 4.141 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.936 5.121 -0.887 1.00 0.00 H new ATOM 1139 N THR A 76 -11.135 6.161 -3.200 1.00 0.00 N ATOM 1140 CA THR A 76 -12.240 7.116 -2.903 1.00 0.00 C ATOM 1141 C THR A 76 -13.053 6.601 -1.714 1.00 0.00 C ATOM 1142 O THR A 76 -12.860 5.495 -1.250 1.00 0.00 O ATOM 1143 CB THR A 76 -13.150 7.237 -4.128 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.355 7.445 -5.287 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.103 8.419 -3.943 1.00 0.00 C ATOM 0 H THR A 76 -11.431 5.252 -3.556 1.00 0.00 H new ATOM 0 HA THR A 76 -11.822 8.093 -2.661 1.00 0.00 H new ATOM 0 HB THR A 76 -13.729 6.321 -4.243 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.102 6.579 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.750 8.504 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.712 8.259 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.526 9.337 -3.828 1.00 0.00 H new ATOM 1153 N GLU A 77 -13.962 7.394 -1.215 1.00 0.00 N ATOM 1154 CA GLU A 77 -14.785 6.949 -0.056 1.00 0.00 C ATOM 1155 C GLU A 77 -15.751 5.852 -0.508 1.00 0.00 C ATOM 1156 O GLU A 77 -15.620 4.704 -0.134 1.00 0.00 O ATOM 1157 CB GLU A 77 -15.581 8.137 0.489 1.00 0.00 C ATOM 1158 CG GLU A 77 -14.625 9.285 0.818 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.305 10.254 1.787 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -15.917 9.785 2.733 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -15.202 11.449 1.567 1.00 0.00 O ATOM 0 H GLU A 77 -14.170 8.331 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.133 6.559 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.318 8.462 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.131 7.841 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.709 8.894 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.340 9.808 -0.095 1.00 0.00 H new ATOM 1168 N GLY A 78 -16.720 6.196 -1.312 1.00 0.00 N ATOM 1169 CA GLY A 78 -17.692 5.171 -1.787 1.00 0.00 C ATOM 1170 C GLY A 78 -19.113 5.728 -1.684 1.00 0.00 C ATOM 1171 O GLY A 78 -19.314 6.898 -1.424 1.00 0.00 O ATOM 0 H GLY A 78 -16.880 7.141 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.472 4.896 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.601 4.264 -1.189 1.00 0.00 H new ATOM 1175 N GLY A 79 -20.101 4.900 -1.885 1.00 0.00 N ATOM 1176 CA GLY A 79 -21.508 5.383 -1.798 1.00 0.00 C ATOM 1177 C GLY A 79 -21.928 5.473 -0.330 1.00 0.00 C ATOM 1178 O GLY A 79 -21.265 4.864 0.494 1.00 0.00 O ATOM 0 H GLY A 79 -19.995 3.910 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -21.598 6.360 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.170 4.704 -2.336 1.00 0.00 H new TER 1182 GLY A 79