USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 SER N :NH3+ -170:sc= 0 (180deg=-0.127) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 75:sc= 0.566 USER MOD Single : A 8 CYS SG : rot -25:sc= -0.0548 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0.916 (180deg=0.9) USER MOD Single : A 17 ASN : amide:sc= 0.608 K(o=0.61,f=-6.8!) USER MOD Single : A 32 THR OG1 : rot -80:sc= 1.05 USER MOD Single : A 35 GLN : amide:sc= 0.14 X(o=0.14,f=-0.044) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.447 USER MOD Single : A 48 SER OG : rot -23:sc= 0.815 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0.902 (180deg=0.81) USER MOD Single : A 53 ASN : amide:sc= 0.535 K(o=0.53,f=-6.6!) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.909 (180deg=0.908) USER MOD Single : A 64 MET CE :methyl 140:sc= -0.544 (180deg=-1.31) USER MOD Single : A 65 MET CE :methyl -167:sc=-0.00824 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.823 1.589 8.133 1.00 0.00 N ATOM 2 CA SER A 1 -15.794 1.020 7.271 1.00 0.00 C ATOM 3 C SER A 1 -14.499 1.816 7.360 1.00 0.00 C ATOM 4 O SER A 1 -13.408 1.247 7.375 1.00 0.00 O ATOM 5 CB SER A 1 -16.285 0.968 5.837 1.00 0.00 C ATOM 6 OG SER A 1 -17.436 0.180 5.702 1.00 0.00 O ATOM 0 H1 SER A 1 -17.632 0.938 8.184 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.435 1.735 9.087 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.137 2.501 7.744 1.00 0.00 H new ATOM 0 HA SER A 1 -15.587 0.006 7.612 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.496 1.979 5.490 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.497 0.570 5.199 1.00 0.00 H new ATOM 0 HG SER A 1 -17.720 0.174 4.764 1.00 0.00 H new ATOM 14 N GLU A 2 -14.626 3.138 7.418 1.00 0.00 N ATOM 15 CA GLU A 2 -13.465 4.020 7.409 1.00 0.00 C ATOM 16 C GLU A 2 -12.601 3.807 8.646 1.00 0.00 C ATOM 17 O GLU A 2 -11.380 3.954 8.594 1.00 0.00 O ATOM 18 CB GLU A 2 -13.904 5.483 7.320 1.00 0.00 C ATOM 19 CG GLU A 2 -14.488 5.884 5.973 1.00 0.00 C ATOM 20 CD GLU A 2 -14.990 7.300 5.994 1.00 0.00 C ATOM 21 OE1 GLU A 2 -14.944 7.912 7.035 1.00 0.00 O ATOM 22 OE2 GLU A 2 -15.315 7.811 4.948 1.00 0.00 O ATOM 0 H GLU A 2 -15.522 3.622 7.472 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.868 3.775 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.646 5.675 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.046 6.121 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.728 5.777 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.305 5.210 5.714 1.00 0.00 H new ATOM 29 N GLU A 3 -13.242 3.461 9.756 1.00 0.00 N ATOM 30 CA GLU A 3 -12.528 3.172 10.994 1.00 0.00 C ATOM 31 C GLU A 3 -11.697 1.902 10.868 1.00 0.00 C ATOM 32 O GLU A 3 -10.561 1.843 11.339 1.00 0.00 O ATOM 33 CB GLU A 3 -13.511 3.044 12.161 1.00 0.00 C ATOM 34 CG GLU A 3 -14.165 4.353 12.579 1.00 0.00 C ATOM 35 CD GLU A 3 -15.202 4.130 13.645 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.444 2.996 13.982 1.00 0.00 O ATOM 37 OE2 GLU A 3 -15.671 5.095 14.200 1.00 0.00 O ATOM 0 H GLU A 3 -14.256 3.374 9.824 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.851 4.003 11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.291 2.334 11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.985 2.625 13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.404 5.041 12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.627 4.824 11.712 1.00 0.00 H new ATOM 44 N GLU A 4 -12.269 0.888 10.229 1.00 0.00 N ATOM 45 CA GLU A 4 -11.560 -0.362 9.985 1.00 0.00 C ATOM 46 C GLU A 4 -10.458 -0.178 8.950 1.00 0.00 C ATOM 47 O GLU A 4 -9.421 -0.838 9.009 1.00 0.00 O ATOM 48 CB GLU A 4 -12.534 -1.450 9.528 1.00 0.00 C ATOM 49 CG GLU A 4 -13.492 -1.932 10.607 1.00 0.00 C ATOM 50 CD GLU A 4 -14.462 -2.945 10.066 1.00 0.00 C ATOM 51 OE1 GLU A 4 -14.410 -3.219 8.891 1.00 0.00 O ATOM 52 OE2 GLU A 4 -15.178 -3.528 10.846 1.00 0.00 O ATOM 0 H GLU A 4 -13.224 0.907 9.870 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.098 -0.671 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.115 -1.070 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.961 -2.302 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.926 -2.371 11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.040 -1.083 11.015 1.00 0.00 H new ATOM 59 N LEU A 5 -10.689 0.725 8.003 1.00 0.00 N ATOM 60 CA LEU A 5 -9.686 1.053 6.996 1.00 0.00 C ATOM 61 C LEU A 5 -8.516 1.811 7.610 1.00 0.00 C ATOM 62 O LEU A 5 -7.369 1.644 7.196 1.00 0.00 O ATOM 63 CB LEU A 5 -10.318 1.873 5.865 1.00 0.00 C ATOM 64 CG LEU A 5 -11.281 1.099 4.956 1.00 0.00 C ATOM 65 CD1 LEU A 5 -12.022 2.061 4.038 1.00 0.00 C ATOM 66 CD2 LEU A 5 -10.503 0.073 4.147 1.00 0.00 C ATOM 0 H LEU A 5 -11.563 1.243 7.912 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.302 0.119 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.855 2.714 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.520 2.290 5.251 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.017 0.578 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.703 1.501 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.591 2.771 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.304 2.601 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.188 -0.477 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.757 0.581 3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.005 -0.622 4.823 1.00 0.00 H new ATOM 78 N SER A 6 -8.813 2.646 8.601 1.00 0.00 N ATOM 79 CA SER A 6 -7.777 3.356 9.340 1.00 0.00 C ATOM 80 C SER A 6 -6.933 2.395 10.168 1.00 0.00 C ATOM 81 O SER A 6 -5.713 2.538 10.251 1.00 0.00 O ATOM 82 CB SER A 6 -8.402 4.411 10.232 1.00 0.00 C ATOM 83 OG SER A 6 -9.004 5.437 9.491 1.00 0.00 O ATOM 0 H SER A 6 -9.764 2.847 8.910 1.00 0.00 H new ATOM 0 HA SER A 6 -7.120 3.843 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.147 3.945 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.637 4.835 10.883 1.00 0.00 H new ATOM 0 HG SER A 6 -9.849 5.115 9.114 1.00 0.00 H new ATOM 89 N GLU A 7 -7.590 1.415 10.778 1.00 0.00 N ATOM 90 CA GLU A 7 -6.893 0.377 11.529 1.00 0.00 C ATOM 91 C GLU A 7 -6.025 -0.477 10.615 1.00 0.00 C ATOM 92 O GLU A 7 -4.879 -0.788 10.942 1.00 0.00 O ATOM 93 CB GLU A 7 -7.894 -0.506 12.278 1.00 0.00 C ATOM 94 CG GLU A 7 -8.571 0.174 13.460 1.00 0.00 C ATOM 95 CD GLU A 7 -9.642 -0.699 14.052 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.889 -1.752 13.514 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.135 -0.369 15.105 1.00 0.00 O ATOM 0 H GLU A 7 -8.605 1.317 10.767 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.244 0.870 12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.661 -0.839 11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.378 -1.398 12.634 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.828 0.409 14.222 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.007 1.120 13.138 1.00 0.00 H new ATOM 104 N CYS A 8 -6.576 -0.851 9.465 1.00 0.00 N ATOM 105 CA CYS A 8 -5.821 -1.588 8.458 1.00 0.00 C ATOM 106 C CYS A 8 -4.596 -0.805 8.006 1.00 0.00 C ATOM 107 O CYS A 8 -3.499 -1.355 7.902 1.00 0.00 O ATOM 108 CB CYS A 8 -6.827 -1.723 7.314 1.00 0.00 C ATOM 109 SG CYS A 8 -6.219 -2.654 5.888 1.00 0.00 S ATOM 0 H CYS A 8 -7.543 -0.656 9.207 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.441 -2.543 8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.726 -2.209 7.693 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.119 -0.726 6.984 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.922 -2.585 5.846 1.00 0.00 H new ATOM 115 N PHE A 9 -4.788 0.482 7.738 1.00 0.00 N ATOM 116 CA PHE A 9 -3.685 1.361 7.370 1.00 0.00 C ATOM 117 C PHE A 9 -2.580 1.326 8.418 1.00 0.00 C ATOM 118 O PHE A 9 -1.399 1.219 8.085 1.00 0.00 O ATOM 119 CB PHE A 9 -4.184 2.795 7.180 1.00 0.00 C ATOM 120 CG PHE A 9 -3.121 3.751 6.721 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.794 3.855 5.377 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.445 4.550 7.632 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.815 4.735 4.954 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.467 5.431 7.212 1.00 0.00 C ATOM 125 CZ PHE A 9 -1.153 5.523 5.871 1.00 0.00 C ATOM 0 H PHE A 9 -5.699 0.940 7.769 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.272 1.002 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.997 2.794 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.599 3.153 8.122 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.310 3.242 4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.686 4.482 8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.569 4.805 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.949 6.047 7.932 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.389 6.212 5.541 1.00 0.00 H new ATOM 135 N ARG A 10 -2.969 1.417 9.684 1.00 0.00 N ATOM 136 CA ARG A 10 -2.010 1.426 10.782 1.00 0.00 C ATOM 137 C ARG A 10 -1.265 0.101 10.874 1.00 0.00 C ATOM 138 O ARG A 10 -0.088 0.063 11.232 1.00 0.00 O ATOM 139 CB ARG A 10 -2.659 1.794 12.109 1.00 0.00 C ATOM 140 CG ARG A 10 -3.078 3.249 12.234 1.00 0.00 C ATOM 141 CD ARG A 10 -3.803 3.572 13.490 1.00 0.00 C ATOM 142 NE ARG A 10 -4.220 4.961 13.605 1.00 0.00 N ATOM 143 CZ ARG A 10 -4.968 5.453 14.612 1.00 0.00 C ATOM 144 NH1 ARG A 10 -5.415 4.671 15.569 1.00 0.00 N ATOM 145 NH2 ARG A 10 -5.262 6.742 14.598 1.00 0.00 N ATOM 0 H ARG A 10 -3.944 1.486 9.976 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.280 2.205 10.562 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.537 1.164 12.255 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.963 1.561 12.914 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.190 3.877 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.713 3.506 11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.684 2.934 13.560 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.163 3.326 14.338 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.926 5.607 12.873 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.197 3.675 15.557 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.980 5.060 16.324 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.924 7.334 13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.826 7.145 15.346 1.00 0.00 H new ATOM 159 N ILE A 11 -1.957 -0.986 10.549 1.00 0.00 N ATOM 160 CA ILE A 11 -1.355 -2.313 10.567 1.00 0.00 C ATOM 161 C ILE A 11 -0.221 -2.417 9.556 1.00 0.00 C ATOM 162 O ILE A 11 0.847 -2.949 9.858 1.00 0.00 O ATOM 163 CB ILE A 11 -2.395 -3.410 10.274 1.00 0.00 C ATOM 164 CG1 ILE A 11 -3.369 -3.548 11.446 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.704 -4.735 9.993 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.592 -4.378 11.128 1.00 0.00 C ATOM 0 H ILE A 11 -2.938 -0.973 10.269 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.957 -2.463 11.570 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.962 -3.124 9.388 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.846 -3.997 12.290 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.687 -2.554 11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.453 -5.500 9.788 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.049 -4.628 9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.114 -5.029 10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.235 -4.430 12.007 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.139 -3.919 10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.285 -5.384 10.843 1.00 0.00 H new ATOM 178 N PHE A 12 -0.459 -1.906 8.353 1.00 0.00 N ATOM 179 CA PHE A 12 0.528 -1.974 7.282 1.00 0.00 C ATOM 180 C PHE A 12 1.585 -0.888 7.437 1.00 0.00 C ATOM 181 O PHE A 12 2.705 -1.024 6.944 1.00 0.00 O ATOM 182 CB PHE A 12 -0.154 -1.854 5.918 1.00 0.00 C ATOM 183 CG PHE A 12 -0.928 -3.077 5.517 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.271 -4.241 5.147 1.00 0.00 C ATOM 185 CD2 PHE A 12 -2.315 -3.066 5.510 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.982 -5.366 4.777 1.00 0.00 C ATOM 187 CE2 PHE A 12 -3.028 -4.191 5.142 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.362 -5.341 4.775 1.00 0.00 C ATOM 0 H PHE A 12 -1.329 -1.439 8.095 1.00 0.00 H new ATOM 0 HA PHE A 12 1.024 -2.943 7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.828 -0.998 5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.603 -1.650 5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.809 -4.268 5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.843 -2.168 5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.458 -6.265 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.108 -4.169 5.142 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.919 -6.220 4.487 1.00 0.00 H new ATOM 198 N ASP A 13 1.223 0.189 8.124 1.00 0.00 N ATOM 199 CA ASP A 13 2.168 1.256 8.431 1.00 0.00 C ATOM 200 C ASP A 13 3.121 0.845 9.547 1.00 0.00 C ATOM 201 O ASP A 13 2.956 1.250 10.698 1.00 0.00 O ATOM 202 CB ASP A 13 1.425 2.536 8.821 1.00 0.00 C ATOM 203 CG ASP A 13 2.322 3.752 9.012 1.00 0.00 C ATOM 204 OD1 ASP A 13 3.496 3.648 8.739 1.00 0.00 O ATOM 205 OD2 ASP A 13 1.806 4.810 9.277 1.00 0.00 O ATOM 0 H ASP A 13 0.280 0.347 8.480 1.00 0.00 H new ATOM 0 HA ASP A 13 2.756 1.447 7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.687 2.762 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.877 2.356 9.746 1.00 0.00 H new ATOM 210 N LYS A 14 4.117 0.037 9.200 1.00 0.00 N ATOM 211 CA LYS A 14 5.072 -0.466 10.180 1.00 0.00 C ATOM 212 C LYS A 14 5.940 0.660 10.729 1.00 0.00 C ATOM 213 O LYS A 14 6.289 0.667 11.909 1.00 0.00 O ATOM 214 CB LYS A 14 5.952 -1.554 9.561 1.00 0.00 C ATOM 215 CG LYS A 14 5.222 -2.858 9.264 1.00 0.00 C ATOM 216 CD LYS A 14 6.146 -3.872 8.607 1.00 0.00 C ATOM 217 CE LYS A 14 5.416 -5.170 8.299 1.00 0.00 C ATOM 218 NZ LYS A 14 6.272 -6.124 7.542 1.00 0.00 N ATOM 0 H LYS A 14 4.284 -0.284 8.246 1.00 0.00 H new ATOM 0 HA LYS A 14 4.507 -0.896 11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.383 -1.173 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.782 -1.762 10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.823 -3.273 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.372 -2.661 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.552 -3.454 7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.991 -4.075 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.092 -5.634 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.517 -4.953 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.755 -7.014 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.519 -5.712 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.142 -6.313 8.080 1.00 0.00 H new ATOM 232 N ASP A 15 6.288 1.608 9.865 1.00 0.00 N ATOM 233 CA ASP A 15 7.097 2.752 10.268 1.00 0.00 C ATOM 234 C ASP A 15 6.353 3.628 11.267 1.00 0.00 C ATOM 235 O ASP A 15 6.942 4.132 12.224 1.00 0.00 O ATOM 236 CB ASP A 15 7.504 3.578 9.045 1.00 0.00 C ATOM 237 CG ASP A 15 8.581 2.934 8.181 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.187 1.989 8.628 1.00 0.00 O ATOM 239 OD2 ASP A 15 8.681 3.288 7.031 1.00 0.00 O ATOM 0 H ASP A 15 6.022 1.606 8.880 1.00 0.00 H new ATOM 0 HA ASP A 15 7.996 2.370 10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.621 3.755 8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.859 4.552 9.381 1.00 0.00 H new ATOM 244 N GLY A 16 5.057 3.807 11.039 1.00 0.00 N ATOM 245 CA GLY A 16 4.223 4.597 11.938 1.00 0.00 C ATOM 246 C GLY A 16 4.315 6.082 11.611 1.00 0.00 C ATOM 247 O GLY A 16 4.058 6.932 12.464 1.00 0.00 O ATOM 0 H GLY A 16 4.560 3.416 10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.187 4.268 11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.534 4.429 12.969 1.00 0.00 H new ATOM 251 N ASN A 17 4.683 6.388 10.372 1.00 0.00 N ATOM 252 CA ASN A 17 4.882 7.769 9.951 1.00 0.00 C ATOM 253 C ASN A 17 3.637 8.326 9.273 1.00 0.00 C ATOM 254 O ASN A 17 3.609 9.483 8.857 1.00 0.00 O ATOM 255 CB ASN A 17 6.083 7.902 9.032 1.00 0.00 C ATOM 256 CG ASN A 17 5.940 7.152 7.737 1.00 0.00 C ATOM 257 OD1 ASN A 17 4.948 6.449 7.510 1.00 0.00 O ATOM 258 ND2 ASN A 17 6.960 7.233 6.922 1.00 0.00 N ATOM 0 H ASN A 17 4.850 5.697 9.641 1.00 0.00 H new ATOM 0 HA ASN A 17 5.074 8.353 10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.247 8.957 8.814 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.970 7.542 9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.961 6.701 6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.754 7.828 7.157 1.00 0.00 H new ATOM 265 N GLY A 18 2.607 7.492 9.164 1.00 0.00 N ATOM 266 CA GLY A 18 1.337 7.915 8.588 1.00 0.00 C ATOM 267 C GLY A 18 1.347 7.778 7.071 1.00 0.00 C ATOM 268 O GLY A 18 0.442 8.258 6.388 1.00 0.00 O ATOM 0 H GLY A 18 2.628 6.518 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.528 7.315 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.138 8.951 8.861 1.00 0.00 H new ATOM 272 N PHE A 19 2.376 7.119 6.549 1.00 0.00 N ATOM 273 CA PHE A 19 2.473 6.861 5.117 1.00 0.00 C ATOM 274 C PHE A 19 2.897 5.424 4.844 1.00 0.00 C ATOM 275 O PHE A 19 3.538 4.786 5.679 1.00 0.00 O ATOM 276 CB PHE A 19 3.459 7.833 4.465 1.00 0.00 C ATOM 277 CG PHE A 19 3.049 9.275 4.570 1.00 0.00 C ATOM 278 CD1 PHE A 19 2.178 9.832 3.646 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.531 10.075 5.593 1.00 0.00 C ATOM 280 CE1 PHE A 19 1.799 11.157 3.738 1.00 0.00 C ATOM 281 CE2 PHE A 19 3.153 11.402 5.690 1.00 0.00 C ATOM 282 CZ PHE A 19 2.288 11.942 4.763 1.00 0.00 C ATOM 0 H PHE A 19 3.155 6.754 7.097 1.00 0.00 H new ATOM 0 HA PHE A 19 1.485 7.013 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.438 7.709 4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.570 7.572 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.791 9.222 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.209 9.658 6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.122 11.578 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.536 12.015 6.492 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.993 12.978 4.838 1.00 0.00 H new ATOM 292 N ILE A 20 2.536 4.919 3.669 1.00 0.00 N ATOM 293 CA ILE A 20 2.996 3.610 3.223 1.00 0.00 C ATOM 294 C ILE A 20 4.186 3.736 2.280 1.00 0.00 C ATOM 295 O ILE A 20 4.079 4.330 1.207 1.00 0.00 O ATOM 296 CB ILE A 20 1.874 2.826 2.519 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.683 2.634 3.461 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.392 1.483 2.027 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.017 1.864 4.717 1.00 0.00 C ATOM 0 H ILE A 20 1.925 5.398 3.008 1.00 0.00 H new ATOM 0 HA ILE A 20 3.301 3.064 4.115 1.00 0.00 H new ATOM 0 HB ILE A 20 1.538 3.401 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.290 3.612 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.111 2.112 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.586 0.941 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.208 1.644 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.754 0.900 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.123 1.769 5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.381 0.872 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.788 2.395 5.275 1.00 0.00 H new ATOM 311 N ASP A 21 5.319 3.174 2.687 1.00 0.00 N ATOM 312 CA ASP A 21 6.529 3.217 1.875 1.00 0.00 C ATOM 313 C ASP A 21 6.502 2.149 0.789 1.00 0.00 C ATOM 314 O ASP A 21 5.618 1.293 0.769 1.00 0.00 O ATOM 315 CB ASP A 21 7.771 3.040 2.754 1.00 0.00 C ATOM 316 CG ASP A 21 9.039 3.658 2.180 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.990 4.155 1.080 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.001 3.767 2.903 1.00 0.00 O ATOM 0 H ASP A 21 5.424 2.683 3.575 1.00 0.00 H new ATOM 0 HA ASP A 21 6.572 4.194 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.576 3.482 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.940 1.975 2.913 1.00 0.00 H new ATOM 323 N ARG A 22 7.474 2.206 -0.114 1.00 0.00 N ATOM 324 CA ARG A 22 7.606 1.202 -1.163 1.00 0.00 C ATOM 325 C ARG A 22 7.743 -0.196 -0.573 1.00 0.00 C ATOM 326 O ARG A 22 7.101 -1.141 -1.035 1.00 0.00 O ATOM 327 CB ARG A 22 8.747 1.516 -2.120 1.00 0.00 C ATOM 328 CG ARG A 22 8.998 0.461 -3.184 1.00 0.00 C ATOM 329 CD ARG A 22 10.089 0.797 -4.135 1.00 0.00 C ATOM 330 NE ARG A 22 10.467 -0.287 -5.027 1.00 0.00 N ATOM 331 CZ ARG A 22 11.344 -1.262 -4.716 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.962 -1.273 -3.556 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.585 -2.196 -5.619 1.00 0.00 N ATOM 0 H ARG A 22 8.184 2.938 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 22 6.687 1.230 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.538 2.465 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.661 1.652 -1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.238 -0.483 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.078 0.303 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.780 1.653 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.967 1.106 -3.567 1.00 0.00 H new ATOM 0 HE ARG A 22 10.039 -0.311 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.781 -0.536 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.623 -2.019 -3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.112 -2.166 -6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.244 -2.947 -5.413 1.00 0.00 H new ATOM 347 N GLU A 23 8.581 -0.322 0.449 1.00 0.00 N ATOM 348 CA GLU A 23 8.798 -1.604 1.109 1.00 0.00 C ATOM 349 C GLU A 23 7.539 -2.076 1.824 1.00 0.00 C ATOM 350 O GLU A 23 7.206 -3.261 1.799 1.00 0.00 O ATOM 351 CB GLU A 23 9.961 -1.506 2.099 1.00 0.00 C ATOM 352 CG GLU A 23 11.329 -1.352 1.450 1.00 0.00 C ATOM 353 CD GLU A 23 12.402 -1.139 2.482 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.076 -1.051 3.641 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.556 -1.178 2.125 1.00 0.00 O ATOM 0 H GLU A 23 9.122 0.449 0.839 1.00 0.00 H new ATOM 0 HA GLU A 23 9.047 -2.336 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.789 -0.657 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.967 -2.400 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.558 -2.241 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.313 -0.509 0.759 1.00 0.00 H new ATOM 362 N GLU A 24 6.842 -1.142 2.462 1.00 0.00 N ATOM 363 CA GLU A 24 5.593 -1.453 3.147 1.00 0.00 C ATOM 364 C GLU A 24 4.489 -1.790 2.155 1.00 0.00 C ATOM 365 O GLU A 24 3.590 -2.576 2.455 1.00 0.00 O ATOM 366 CB GLU A 24 5.163 -0.281 4.034 1.00 0.00 C ATOM 367 CG GLU A 24 6.119 0.026 5.178 1.00 0.00 C ATOM 368 CD GLU A 24 5.646 1.203 5.984 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.405 2.236 5.406 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.416 1.040 7.159 1.00 0.00 O ATOM 0 H GLU A 24 7.121 -0.163 2.519 1.00 0.00 H new ATOM 0 HA GLU A 24 5.766 -2.328 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.060 0.609 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.178 -0.497 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.209 -0.847 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.113 0.231 4.779 1.00 0.00 H new ATOM 377 N PHE A 25 4.561 -1.192 0.970 1.00 0.00 N ATOM 378 CA PHE A 25 3.638 -1.517 -0.110 1.00 0.00 C ATOM 379 C PHE A 25 3.864 -2.935 -0.620 1.00 0.00 C ATOM 380 O PHE A 25 2.913 -3.662 -0.905 1.00 0.00 O ATOM 381 CB PHE A 25 3.784 -0.516 -1.258 1.00 0.00 C ATOM 382 CG PHE A 25 3.005 -0.886 -2.488 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.620 -0.825 -2.492 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.655 -1.296 -3.641 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.901 -1.164 -3.624 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.939 -1.636 -4.774 1.00 0.00 C ATOM 387 CZ PHE A 25 1.560 -1.569 -4.764 1.00 0.00 C ATOM 0 H PHE A 25 5.251 -0.479 0.734 1.00 0.00 H new ATOM 0 HA PHE A 25 2.625 -1.455 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.458 0.466 -0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.839 -0.429 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.097 -0.509 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.734 -1.351 -3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.178 -1.111 -3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.458 -1.954 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.999 -1.834 -5.648 1.00 0.00 H new ATOM 397 N GLY A 26 5.131 -3.323 -0.733 1.00 0.00 N ATOM 398 CA GLY A 26 5.485 -4.698 -1.064 1.00 0.00 C ATOM 399 C GLY A 26 4.948 -5.671 -0.022 1.00 0.00 C ATOM 400 O GLY A 26 4.513 -6.773 -0.354 1.00 0.00 O ATOM 0 H GLY A 26 5.930 -2.703 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.084 -4.954 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.569 -4.792 -1.129 1.00 0.00 H new ATOM 404 N ASP A 27 4.980 -5.256 1.240 1.00 0.00 N ATOM 405 CA ASP A 27 4.451 -6.070 2.328 1.00 0.00 C ATOM 406 C ASP A 27 2.943 -6.243 2.204 1.00 0.00 C ATOM 407 O ASP A 27 2.406 -7.313 2.486 1.00 0.00 O ATOM 408 CB ASP A 27 4.799 -5.447 3.681 1.00 0.00 C ATOM 409 CG ASP A 27 6.245 -5.651 4.116 1.00 0.00 C ATOM 410 OD1 ASP A 27 6.921 -6.444 3.505 1.00 0.00 O ATOM 411 OD2 ASP A 27 6.706 -4.905 4.947 1.00 0.00 O ATOM 0 H ASP A 27 5.367 -4.360 1.535 1.00 0.00 H new ATOM 0 HA ASP A 27 4.913 -7.055 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.593 -4.378 3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.141 -5.868 4.441 1.00 0.00 H new ATOM 416 N ILE A 28 2.263 -5.182 1.779 1.00 0.00 N ATOM 417 CA ILE A 28 0.833 -5.248 1.507 1.00 0.00 C ATOM 418 C ILE A 28 0.514 -6.344 0.498 1.00 0.00 C ATOM 419 O ILE A 28 -0.370 -7.170 0.724 1.00 0.00 O ATOM 420 CB ILE A 28 0.297 -3.905 0.980 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.331 -2.845 2.084 1.00 0.00 C ATOM 422 CG2 ILE A 28 -1.116 -4.071 0.441 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.072 -1.440 1.590 1.00 0.00 C ATOM 0 H ILE A 28 2.681 -4.266 1.616 1.00 0.00 H new ATOM 0 HA ILE A 28 0.343 -5.478 2.453 1.00 0.00 H new ATOM 0 HB ILE A 28 0.939 -3.572 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.413 -3.097 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.305 -2.874 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.480 -3.112 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.112 -4.795 -0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.770 -4.425 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.112 -0.746 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.830 -1.167 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.914 -1.393 1.127 1.00 0.00 H new ATOM 435 N ILE A 29 1.239 -6.345 -0.615 1.00 0.00 N ATOM 436 CA ILE A 29 1.036 -7.341 -1.660 1.00 0.00 C ATOM 437 C ILE A 29 1.362 -8.742 -1.156 1.00 0.00 C ATOM 438 O ILE A 29 0.650 -9.700 -1.454 1.00 0.00 O ATOM 439 CB ILE A 29 1.895 -7.040 -2.902 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.406 -5.765 -3.593 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.866 -8.216 -3.866 1.00 0.00 C ATOM 442 CD1 ILE A 29 2.372 -5.215 -4.616 1.00 0.00 C ATOM 0 H ILE A 29 1.973 -5.666 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.017 -7.294 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 29 2.925 -6.884 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.453 -5.970 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.219 -5.002 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.478 -7.987 -4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.259 -9.103 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.840 -8.402 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.955 -4.312 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.319 -4.976 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.541 -5.959 -5.394 1.00 0.00 H new ATOM 454 N ARG A 30 2.443 -8.854 -0.392 1.00 0.00 N ATOM 455 CA ARG A 30 2.894 -10.146 0.112 1.00 0.00 C ATOM 456 C ARG A 30 1.925 -10.704 1.144 1.00 0.00 C ATOM 457 O ARG A 30 1.654 -11.905 1.169 1.00 0.00 O ATOM 458 CB ARG A 30 4.314 -10.085 0.656 1.00 0.00 C ATOM 459 CG ARG A 30 5.403 -10.004 -0.402 1.00 0.00 C ATOM 460 CD ARG A 30 6.785 -10.104 0.133 1.00 0.00 C ATOM 461 NE ARG A 30 7.244 -8.919 0.839 1.00 0.00 N ATOM 462 CZ ARG A 30 7.878 -7.881 0.260 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.163 -7.891 -1.023 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.228 -6.859 1.022 1.00 0.00 N ATOM 0 H ARG A 30 3.024 -8.065 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 30 2.910 -10.832 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.399 -9.218 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.490 -10.968 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.248 -10.803 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.302 -9.061 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.839 -10.958 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.467 -10.307 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 30 7.074 -8.870 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.904 -8.693 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.644 -7.096 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.017 -6.871 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.709 -6.059 0.612 1.00 0.00 H new ATOM 478 N LEU A 31 1.404 -9.827 1.995 1.00 0.00 N ATOM 479 CA LEU A 31 0.535 -10.244 3.090 1.00 0.00 C ATOM 480 C LEU A 31 -0.858 -10.592 2.585 1.00 0.00 C ATOM 481 O LEU A 31 -1.544 -11.439 3.157 1.00 0.00 O ATOM 482 CB LEU A 31 0.458 -9.142 4.154 1.00 0.00 C ATOM 483 CG LEU A 31 1.735 -8.940 4.978 1.00 0.00 C ATOM 484 CD1 LEU A 31 1.591 -7.717 5.875 1.00 0.00 C ATOM 485 CD2 LEU A 31 2.009 -10.186 5.808 1.00 0.00 C ATOM 0 H LEU A 31 1.568 -8.821 1.948 1.00 0.00 H new ATOM 0 HA LEU A 31 0.962 -11.140 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.209 -8.201 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.362 -9.373 4.834 1.00 0.00 H new ATOM 0 HG LEU A 31 2.577 -8.774 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.503 -7.582 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.418 -6.833 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.748 -7.859 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.917 -10.041 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.170 -10.368 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.137 -11.043 5.147 1.00 0.00 H new ATOM 497 N THR A 32 -1.273 -9.933 1.508 1.00 0.00 N ATOM 498 CA THR A 32 -2.535 -10.255 0.851 1.00 0.00 C ATOM 499 C THR A 32 -2.389 -11.470 -0.056 1.00 0.00 C ATOM 500 O THR A 32 -3.374 -12.123 -0.399 1.00 0.00 O ATOM 501 CB THR A 32 -3.060 -9.068 0.022 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.059 -8.663 -0.922 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.403 -7.895 0.927 1.00 0.00 C ATOM 0 H THR A 32 -0.753 -9.172 1.071 1.00 0.00 H new ATOM 0 HA THR A 32 -3.252 -10.479 1.641 1.00 0.00 H new ATOM 0 HB THR A 32 -3.961 -9.382 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.393 -8.103 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.772 -7.066 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.172 -8.197 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.511 -7.580 1.469 1.00 0.00 H new ATOM 511 N GLY A 33 -1.153 -11.771 -0.440 1.00 0.00 N ATOM 512 CA GLY A 33 -0.854 -12.997 -1.168 1.00 0.00 C ATOM 513 C GLY A 33 -1.113 -12.829 -2.661 1.00 0.00 C ATOM 514 O GLY A 33 -1.406 -13.797 -3.363 1.00 0.00 O ATOM 0 H GLY A 33 -0.341 -11.181 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.188 -13.274 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.465 -13.812 -0.780 1.00 0.00 H new ATOM 518 N GLU A 34 -1.005 -11.594 -3.140 1.00 0.00 N ATOM 519 CA GLU A 34 -1.292 -11.285 -4.535 1.00 0.00 C ATOM 520 C GLU A 34 -0.075 -11.539 -5.417 1.00 0.00 C ATOM 521 O GLU A 34 1.023 -11.064 -5.126 1.00 0.00 O ATOM 522 CB GLU A 34 -1.752 -9.834 -4.679 1.00 0.00 C ATOM 523 CG GLU A 34 -2.092 -9.420 -6.104 1.00 0.00 C ATOM 524 CD GLU A 34 -3.443 -9.932 -6.515 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.644 -11.122 -6.472 1.00 0.00 O ATOM 526 OE2 GLU A 34 -4.310 -9.128 -6.766 1.00 0.00 O ATOM 0 H GLU A 34 -0.720 -10.790 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.095 -11.945 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.629 -9.680 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.968 -9.178 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.073 -8.333 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.333 -9.802 -6.787 1.00 0.00 H new ATOM 533 N GLN A 35 -0.278 -12.288 -6.495 1.00 0.00 N ATOM 534 CA GLN A 35 0.827 -12.744 -7.329 1.00 0.00 C ATOM 535 C GLN A 35 1.288 -11.648 -8.281 1.00 0.00 C ATOM 536 O GLN A 35 0.928 -11.643 -9.458 1.00 0.00 O ATOM 537 CB GLN A 35 0.418 -13.985 -8.128 1.00 0.00 C ATOM 538 CG GLN A 35 -0.094 -15.134 -7.276 1.00 0.00 C ATOM 539 CD GLN A 35 0.935 -15.611 -6.269 1.00 0.00 C ATOM 540 OE1 GLN A 35 2.002 -16.111 -6.639 1.00 0.00 O ATOM 541 NE2 GLN A 35 0.620 -15.463 -4.987 1.00 0.00 N ATOM 0 H GLN A 35 -1.199 -12.592 -6.812 1.00 0.00 H new ATOM 0 HA GLN A 35 1.656 -12.999 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.356 -13.704 -8.842 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.275 -14.330 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.995 -14.819 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.377 -15.964 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.273 -15.045 -4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.271 -15.768 -4.263 1.00 0.00 H new ATOM 550 N LEU A 36 2.086 -10.720 -7.764 1.00 0.00 N ATOM 551 CA LEU A 36 2.626 -9.636 -8.576 1.00 0.00 C ATOM 552 C LEU A 36 4.145 -9.715 -8.662 1.00 0.00 C ATOM 553 O LEU A 36 4.804 -10.188 -7.736 1.00 0.00 O ATOM 554 CB LEU A 36 2.194 -8.280 -8.004 1.00 0.00 C ATOM 555 CG LEU A 36 0.679 -8.032 -7.984 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.375 -6.719 -7.277 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.148 -8.014 -9.410 1.00 0.00 C ATOM 0 H LEU A 36 2.373 -10.697 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 36 2.227 -9.739 -9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.573 -8.196 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.668 -7.490 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 36 0.185 -8.835 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.702 -6.552 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.744 -6.764 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.865 -5.900 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.928 -7.838 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.638 -7.218 -9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.352 -8.973 -9.886 1.00 0.00 H new ATOM 569 N THR A 37 4.694 -9.250 -9.779 1.00 0.00 N ATOM 570 CA THR A 37 6.137 -9.264 -9.986 1.00 0.00 C ATOM 571 C THR A 37 6.793 -8.031 -9.377 1.00 0.00 C ATOM 572 O THR A 37 6.111 -7.094 -8.963 1.00 0.00 O ATOM 573 CB THR A 37 6.492 -9.336 -11.482 1.00 0.00 C ATOM 574 OG1 THR A 37 6.094 -8.122 -12.129 1.00 0.00 O ATOM 575 CG2 THR A 37 5.788 -10.513 -12.142 1.00 0.00 C ATOM 0 H THR A 37 4.161 -8.858 -10.555 1.00 0.00 H new ATOM 0 HA THR A 37 6.517 -10.156 -9.489 1.00 0.00 H new ATOM 0 HB THR A 37 7.569 -9.470 -11.578 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.322 -8.169 -13.081 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.051 -10.548 -13.199 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.099 -11.440 -11.660 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.709 -10.395 -12.040 1.00 0.00 H new ATOM 583 N ASP A 38 8.121 -8.039 -9.327 1.00 0.00 N ATOM 584 CA ASP A 38 8.875 -6.875 -8.875 1.00 0.00 C ATOM 585 C ASP A 38 8.610 -5.667 -9.765 1.00 0.00 C ATOM 586 O ASP A 38 8.578 -4.531 -9.292 1.00 0.00 O ATOM 587 CB ASP A 38 10.374 -7.187 -8.847 1.00 0.00 C ATOM 588 CG ASP A 38 10.803 -8.108 -7.713 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.017 -8.327 -6.821 1.00 0.00 O ATOM 590 OD2 ASP A 38 11.845 -8.708 -7.824 1.00 0.00 O ATOM 0 H ASP A 38 8.697 -8.838 -9.594 1.00 0.00 H new ATOM 0 HA ASP A 38 8.543 -6.634 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.656 -7.643 -9.796 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.926 -6.251 -8.767 1.00 0.00 H new ATOM 595 N GLU A 39 8.420 -5.919 -11.056 1.00 0.00 N ATOM 596 CA GLU A 39 8.064 -4.865 -11.998 1.00 0.00 C ATOM 597 C GLU A 39 6.650 -4.358 -11.748 1.00 0.00 C ATOM 598 O GLU A 39 6.375 -3.166 -11.882 1.00 0.00 O ATOM 599 CB GLU A 39 8.196 -5.366 -13.438 1.00 0.00 C ATOM 600 CG GLU A 39 9.629 -5.605 -13.892 1.00 0.00 C ATOM 601 CD GLU A 39 9.673 -6.198 -15.272 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.629 -6.467 -15.816 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.743 -6.277 -15.829 1.00 0.00 O ATOM 0 H GLU A 39 8.507 -6.845 -11.474 1.00 0.00 H new ATOM 0 HA GLU A 39 8.755 -4.036 -11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.636 -6.296 -13.539 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.732 -4.640 -14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.178 -4.663 -13.881 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.128 -6.273 -13.191 1.00 0.00 H new ATOM 610 N ASP A 40 5.755 -5.270 -11.384 1.00 0.00 N ATOM 611 CA ASP A 40 4.397 -4.902 -11.002 1.00 0.00 C ATOM 612 C ASP A 40 4.395 -4.011 -9.765 1.00 0.00 C ATOM 613 O ASP A 40 3.644 -3.039 -9.689 1.00 0.00 O ATOM 614 CB ASP A 40 3.552 -6.153 -10.750 1.00 0.00 C ATOM 615 CG ASP A 40 3.212 -6.945 -12.004 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.341 -6.405 -13.077 1.00 0.00 O ATOM 617 OD2 ASP A 40 2.979 -8.125 -11.892 1.00 0.00 O ATOM 0 H ASP A 40 5.946 -6.271 -11.346 1.00 0.00 H new ATOM 0 HA ASP A 40 3.960 -4.341 -11.828 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.086 -6.804 -10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.625 -5.857 -10.259 1.00 0.00 H new ATOM 622 N VAL A 41 5.242 -4.349 -8.797 1.00 0.00 N ATOM 623 CA VAL A 41 5.343 -3.578 -7.565 1.00 0.00 C ATOM 624 C VAL A 41 5.812 -2.156 -7.841 1.00 0.00 C ATOM 625 O VAL A 41 5.226 -1.193 -7.347 1.00 0.00 O ATOM 626 CB VAL A 41 6.306 -4.241 -6.562 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.557 -3.320 -5.377 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.749 -5.575 -6.089 1.00 0.00 C ATOM 0 H VAL A 41 5.868 -5.153 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 41 4.344 -3.548 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 41 7.255 -4.423 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.239 -3.804 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.998 -2.387 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.613 -3.108 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.443 -6.029 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.787 -5.416 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.618 -6.238 -6.944 1.00 0.00 H new ATOM 638 N ASP A 42 6.872 -2.031 -8.633 1.00 0.00 N ATOM 639 CA ASP A 42 7.442 -0.727 -8.949 1.00 0.00 C ATOM 640 C ASP A 42 6.486 0.100 -9.799 1.00 0.00 C ATOM 641 O ASP A 42 6.300 1.293 -9.558 1.00 0.00 O ATOM 642 CB ASP A 42 8.782 -0.889 -9.672 1.00 0.00 C ATOM 643 CG ASP A 42 9.920 -1.378 -8.785 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.750 -1.393 -7.589 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.884 -1.879 -9.313 1.00 0.00 O ATOM 0 H ASP A 42 7.354 -2.818 -9.068 1.00 0.00 H new ATOM 0 HA ASP A 42 7.608 -0.199 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.654 -1.590 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.064 0.069 -10.109 1.00 0.00 H new ATOM 650 N GLU A 43 5.882 -0.540 -10.795 1.00 0.00 N ATOM 651 CA GLU A 43 4.982 0.148 -11.713 1.00 0.00 C ATOM 652 C GLU A 43 3.723 0.623 -10.999 1.00 0.00 C ATOM 653 O GLU A 43 3.336 1.785 -11.111 1.00 0.00 O ATOM 654 CB GLU A 43 4.610 -0.766 -12.883 1.00 0.00 C ATOM 655 CG GLU A 43 3.713 -0.116 -13.927 1.00 0.00 C ATOM 656 CD GLU A 43 3.440 -1.053 -15.071 1.00 0.00 C ATOM 657 OE1 GLU A 43 3.939 -2.153 -15.046 1.00 0.00 O ATOM 658 OE2 GLU A 43 2.645 -0.711 -15.915 1.00 0.00 O ATOM 0 H GLU A 43 6.000 -1.535 -10.987 1.00 0.00 H new ATOM 0 HA GLU A 43 5.505 1.023 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.525 -1.106 -13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.109 -1.652 -12.492 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.772 0.183 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.186 0.791 -14.302 1.00 0.00 H new ATOM 665 N ILE A 44 3.089 -0.284 -10.263 1.00 0.00 N ATOM 666 CA ILE A 44 1.849 0.029 -9.564 1.00 0.00 C ATOM 667 C ILE A 44 2.077 1.074 -8.480 1.00 0.00 C ATOM 668 O ILE A 44 1.271 1.989 -8.306 1.00 0.00 O ATOM 669 CB ILE A 44 1.226 -1.228 -8.929 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.752 -2.195 -10.016 1.00 0.00 C ATOM 671 CG2 ILE A 44 0.073 -0.845 -8.014 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.389 -3.568 -9.496 1.00 0.00 C ATOM 0 H ILE A 44 3.414 -1.242 -10.135 1.00 0.00 H new ATOM 0 HA ILE A 44 1.160 0.427 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 44 1.987 -1.729 -8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.115 -1.766 -10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.536 -2.297 -10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.356 -1.745 -7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.439 -0.192 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.691 -0.323 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.063 -4.196 -10.325 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.260 -4.019 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.417 -3.480 -8.768 1.00 0.00 H new ATOM 684 N PHE A 45 3.179 0.934 -7.752 1.00 0.00 N ATOM 685 CA PHE A 45 3.567 1.920 -6.750 1.00 0.00 C ATOM 686 C PHE A 45 3.699 3.307 -7.366 1.00 0.00 C ATOM 687 O PHE A 45 3.148 4.280 -6.851 1.00 0.00 O ATOM 688 CB PHE A 45 4.882 1.514 -6.082 1.00 0.00 C ATOM 689 CG PHE A 45 5.364 2.491 -5.049 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.883 2.442 -3.749 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.298 3.464 -5.374 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.325 3.342 -2.797 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.743 4.362 -4.424 1.00 0.00 C ATOM 694 CZ PHE A 45 6.255 4.302 -3.134 1.00 0.00 C ATOM 0 H PHE A 45 3.821 0.146 -7.837 1.00 0.00 H new ATOM 0 HA PHE A 45 2.782 1.956 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.755 0.538 -5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.649 1.402 -6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.155 1.692 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.682 3.520 -6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.941 3.293 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.473 5.112 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.601 5.005 -2.391 1.00 0.00 H new ATOM 704 N GLY A 46 4.433 3.392 -8.471 1.00 0.00 N ATOM 705 CA GLY A 46 4.655 4.664 -9.148 1.00 0.00 C ATOM 706 C GLY A 46 3.352 5.228 -9.700 1.00 0.00 C ATOM 707 O GLY A 46 3.159 6.443 -9.741 1.00 0.00 O ATOM 0 H GLY A 46 4.885 2.593 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.097 5.377 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.368 4.527 -9.961 1.00 0.00 H new ATOM 711 N ASP A 47 2.460 4.339 -10.123 1.00 0.00 N ATOM 712 CA ASP A 47 1.164 4.746 -10.653 1.00 0.00 C ATOM 713 C ASP A 47 0.271 5.305 -9.553 1.00 0.00 C ATOM 714 O ASP A 47 -0.461 6.273 -9.766 1.00 0.00 O ATOM 715 CB ASP A 47 0.473 3.569 -11.344 1.00 0.00 C ATOM 716 CG ASP A 47 1.061 3.201 -12.699 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.830 3.974 -13.221 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.865 2.089 -13.128 1.00 0.00 O ATOM 0 H ASP A 47 2.611 3.330 -10.109 1.00 0.00 H new ATOM 0 HA ASP A 47 1.336 5.534 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.525 2.698 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.583 3.808 -11.473 1.00 0.00 H new ATOM 723 N SER A 48 0.334 4.691 -8.377 1.00 0.00 N ATOM 724 CA SER A 48 -0.451 5.142 -7.233 1.00 0.00 C ATOM 725 C SER A 48 0.172 6.374 -6.590 1.00 0.00 C ATOM 726 O SER A 48 -0.504 7.126 -5.887 1.00 0.00 O ATOM 727 CB SER A 48 -0.583 4.025 -6.218 1.00 0.00 C ATOM 728 OG SER A 48 0.645 3.708 -5.622 1.00 0.00 O ATOM 0 H SER A 48 0.921 3.878 -8.190 1.00 0.00 H new ATOM 0 HA SER A 48 -1.444 5.416 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.295 4.319 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.989 3.139 -6.705 1.00 0.00 H new ATOM 0 HG SER A 48 1.376 3.988 -6.211 1.00 0.00 H new ATOM 734 N ASP A 49 1.461 6.577 -6.835 1.00 0.00 N ATOM 735 CA ASP A 49 2.154 7.766 -6.358 1.00 0.00 C ATOM 736 C ASP A 49 1.978 8.931 -7.324 1.00 0.00 C ATOM 737 O ASP A 49 2.896 9.282 -8.064 1.00 0.00 O ATOM 738 CB ASP A 49 3.644 7.475 -6.154 1.00 0.00 C ATOM 739 CG ASP A 49 4.413 8.590 -5.460 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.796 9.540 -5.040 1.00 0.00 O ATOM 741 OD2 ASP A 49 5.584 8.415 -5.218 1.00 0.00 O ATOM 0 H ASP A 49 2.048 5.931 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 49 1.713 8.045 -5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.746 6.561 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.101 7.285 -7.125 1.00 0.00 H new ATOM 746 N THR A 50 0.791 9.528 -7.310 1.00 0.00 N ATOM 747 CA THR A 50 0.427 10.533 -8.303 1.00 0.00 C ATOM 748 C THR A 50 1.383 11.718 -8.263 1.00 0.00 C ATOM 749 O THR A 50 1.831 12.204 -9.302 1.00 0.00 O ATOM 750 CB THR A 50 -1.011 11.040 -8.093 1.00 0.00 C ATOM 751 OG1 THR A 50 -1.932 9.952 -8.249 1.00 0.00 O ATOM 752 CG2 THR A 50 -1.345 12.129 -9.102 1.00 0.00 C ATOM 0 H THR A 50 0.064 9.333 -6.622 1.00 0.00 H new ATOM 0 HA THR A 50 0.493 10.049 -9.278 1.00 0.00 H new ATOM 0 HB THR A 50 -1.091 11.452 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.847 10.276 -8.113 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.365 12.476 -8.939 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.654 12.963 -8.979 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.255 11.729 -10.112 1.00 0.00 H new ATOM 760 N ASP A 51 1.694 12.180 -7.056 1.00 0.00 N ATOM 761 CA ASP A 51 2.509 13.376 -6.881 1.00 0.00 C ATOM 762 C ASP A 51 3.985 13.024 -6.757 1.00 0.00 C ATOM 763 O ASP A 51 4.823 13.892 -6.509 1.00 0.00 O ATOM 764 CB ASP A 51 2.052 14.161 -5.648 1.00 0.00 C ATOM 765 CG ASP A 51 2.171 13.398 -4.336 1.00 0.00 C ATOM 766 OD1 ASP A 51 2.557 12.253 -4.370 1.00 0.00 O ATOM 767 OD2 ASP A 51 2.031 14.007 -3.303 1.00 0.00 O ATOM 0 H ASP A 51 1.394 11.744 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 51 2.380 13.999 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.640 15.076 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.013 14.460 -5.787 1.00 0.00 H new ATOM 772 N LYS A 52 4.299 11.744 -6.931 1.00 0.00 N ATOM 773 CA LYS A 52 5.686 11.295 -6.977 1.00 0.00 C ATOM 774 C LYS A 52 6.450 11.737 -5.735 1.00 0.00 C ATOM 775 O LYS A 52 7.569 12.240 -5.830 1.00 0.00 O ATOM 776 CB LYS A 52 6.378 11.822 -8.235 1.00 0.00 C ATOM 777 CG LYS A 52 5.682 11.453 -9.538 1.00 0.00 C ATOM 778 CD LYS A 52 5.700 9.949 -9.767 1.00 0.00 C ATOM 779 CE LYS A 52 5.017 9.579 -11.077 1.00 0.00 C ATOM 780 NZ LYS A 52 4.937 8.105 -11.265 1.00 0.00 N ATOM 0 H LYS A 52 3.611 10.999 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 52 5.683 10.205 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.447 12.908 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.398 11.439 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.651 11.807 -9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.174 11.956 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.730 9.593 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.199 9.447 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.013 10.002 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.564 10.022 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.673 7.894 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.862 7.678 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.221 7.711 -10.622 1.00 0.00 H new ATOM 794 N ASN A 53 5.838 11.546 -4.571 1.00 0.00 N ATOM 795 CA ASN A 53 6.437 11.970 -3.312 1.00 0.00 C ATOM 796 C ASN A 53 7.142 10.812 -2.618 1.00 0.00 C ATOM 797 O ASN A 53 7.743 10.983 -1.558 1.00 0.00 O ATOM 798 CB ASN A 53 5.404 12.586 -2.386 1.00 0.00 C ATOM 799 CG ASN A 53 4.354 11.615 -1.919 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.312 10.459 -2.355 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.459 12.102 -1.098 1.00 0.00 N ATOM 0 H ASN A 53 4.926 11.100 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 53 7.179 12.732 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.912 13.004 -1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.917 13.415 -2.900 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.681 11.520 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.540 13.064 -0.767 1.00 0.00 H new ATOM 808 N GLY A 54 7.066 9.632 -3.224 1.00 0.00 N ATOM 809 CA GLY A 54 7.776 8.463 -2.719 1.00 0.00 C ATOM 810 C GLY A 54 6.971 7.755 -1.636 1.00 0.00 C ATOM 811 O GLY A 54 7.468 6.843 -0.976 1.00 0.00 O ATOM 0 H GLY A 54 6.519 9.460 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.974 7.772 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.743 8.767 -2.317 1.00 0.00 H new ATOM 815 N ARG A 55 5.726 8.182 -1.457 1.00 0.00 N ATOM 816 CA ARG A 55 4.873 7.641 -0.407 1.00 0.00 C ATOM 817 C ARG A 55 3.456 7.406 -0.913 1.00 0.00 C ATOM 818 O ARG A 55 2.961 8.140 -1.768 1.00 0.00 O ATOM 819 CB ARG A 55 4.880 8.508 0.844 1.00 0.00 C ATOM 820 CG ARG A 55 6.224 8.603 1.549 1.00 0.00 C ATOM 821 CD ARG A 55 6.667 7.342 2.196 1.00 0.00 C ATOM 822 NE ARG A 55 7.888 7.461 2.976 1.00 0.00 N ATOM 823 CZ ARG A 55 9.131 7.371 2.469 1.00 0.00 C ATOM 824 NH1 ARG A 55 9.326 7.126 1.193 1.00 0.00 N ATOM 825 NH2 ARG A 55 10.155 7.514 3.293 1.00 0.00 N ATOM 0 H ARG A 55 5.285 8.903 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 55 5.291 6.675 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.556 9.513 0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.145 8.114 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.979 8.911 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.169 9.386 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.869 6.982 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.816 6.586 1.425 1.00 0.00 H new ATOM 0 HE ARG A 55 7.796 7.624 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.528 7.001 0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.275 7.061 0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.991 7.688 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.109 7.451 2.937 1.00 0.00 H new ATOM 839 N ILE A 56 2.805 6.376 -0.381 1.00 0.00 N ATOM 840 CA ILE A 56 1.382 6.165 -0.615 1.00 0.00 C ATOM 841 C ILE A 56 0.558 6.578 0.598 1.00 0.00 C ATOM 842 O ILE A 56 0.747 6.057 1.696 1.00 0.00 O ATOM 843 CB ILE A 56 1.077 4.695 -0.953 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.762 4.296 -2.263 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.425 4.471 -1.045 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.649 2.823 -2.587 1.00 0.00 C ATOM 0 H ILE A 56 3.242 5.674 0.216 1.00 0.00 H new ATOM 0 HA ILE A 56 1.108 6.788 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 56 1.469 4.067 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.327 4.872 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.816 4.566 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.623 3.426 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.889 4.718 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.841 5.108 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.158 2.617 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.110 2.239 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.598 2.550 -2.676 1.00 0.00 H new ATOM 858 N ASP A 57 -0.357 7.520 0.391 1.00 0.00 N ATOM 859 CA ASP A 57 -1.186 8.035 1.476 1.00 0.00 C ATOM 860 C ASP A 57 -2.427 7.176 1.676 1.00 0.00 C ATOM 861 O ASP A 57 -2.578 6.128 1.047 1.00 0.00 O ATOM 862 CB ASP A 57 -1.587 9.485 1.202 1.00 0.00 C ATOM 863 CG ASP A 57 -2.499 9.668 -0.004 1.00 0.00 C ATOM 864 OD1 ASP A 57 -3.001 8.687 -0.499 1.00 0.00 O ATOM 865 OD2 ASP A 57 -2.813 10.791 -0.322 1.00 0.00 O ATOM 0 H ASP A 57 -0.543 7.943 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.596 7.999 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.087 9.884 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.684 10.077 1.053 1.00 0.00 H new ATOM 870 N PHE A 58 -3.317 7.626 2.554 1.00 0.00 N ATOM 871 CA PHE A 58 -4.470 6.829 2.955 1.00 0.00 C ATOM 872 C PHE A 58 -5.434 6.631 1.793 1.00 0.00 C ATOM 873 O PHE A 58 -5.950 5.534 1.581 1.00 0.00 O ATOM 874 CB PHE A 58 -5.192 7.487 4.132 1.00 0.00 C ATOM 875 CG PHE A 58 -6.384 6.715 4.620 1.00 0.00 C ATOM 876 CD1 PHE A 58 -6.222 5.586 5.409 1.00 0.00 C ATOM 877 CD2 PHE A 58 -7.670 7.115 4.291 1.00 0.00 C ATOM 878 CE1 PHE A 58 -7.319 4.874 5.858 1.00 0.00 C ATOM 879 CE2 PHE A 58 -8.768 6.407 4.739 1.00 0.00 C ATOM 880 CZ PHE A 58 -8.591 5.286 5.524 1.00 0.00 C ATOM 0 H PHE A 58 -3.261 8.541 3.002 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.107 5.849 3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.488 7.609 4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.514 8.486 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.228 5.259 5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.815 7.991 3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.179 3.995 6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.764 6.730 4.475 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.449 4.732 5.876 1.00 0.00 H new ATOM 890 N ASP A 59 -5.674 7.700 1.040 1.00 0.00 N ATOM 891 CA ASP A 59 -6.604 7.655 -0.080 1.00 0.00 C ATOM 892 C ASP A 59 -6.140 6.667 -1.143 1.00 0.00 C ATOM 893 O ASP A 59 -6.931 5.877 -1.657 1.00 0.00 O ATOM 894 CB ASP A 59 -6.771 9.048 -0.695 1.00 0.00 C ATOM 895 CG ASP A 59 -7.588 10.015 0.152 1.00 0.00 C ATOM 896 OD1 ASP A 59 -8.219 9.572 1.081 1.00 0.00 O ATOM 897 OD2 ASP A 59 -7.449 11.200 -0.039 1.00 0.00 O ATOM 0 H ASP A 59 -5.236 8.609 1.187 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.568 7.318 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.784 9.478 -0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.247 8.947 -1.670 1.00 0.00 H new ATOM 902 N GLU A 60 -4.852 6.715 -1.465 1.00 0.00 N ATOM 903 CA GLU A 60 -4.279 5.818 -2.462 1.00 0.00 C ATOM 904 C GLU A 60 -4.101 4.413 -1.901 1.00 0.00 C ATOM 905 O GLU A 60 -4.192 3.426 -2.631 1.00 0.00 O ATOM 906 CB GLU A 60 -2.936 6.359 -2.960 1.00 0.00 C ATOM 907 CG GLU A 60 -3.035 7.660 -3.744 1.00 0.00 C ATOM 908 CD GLU A 60 -3.918 7.506 -4.951 1.00 0.00 C ATOM 909 OE1 GLU A 60 -3.696 6.596 -5.712 1.00 0.00 O ATOM 910 OE2 GLU A 60 -4.882 8.228 -5.053 1.00 0.00 O ATOM 0 H GLU A 60 -4.185 7.366 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.973 5.765 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.280 6.514 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.465 5.604 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.430 8.446 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.040 7.975 -4.057 1.00 0.00 H new ATOM 917 N PHE A 61 -3.845 4.328 -0.600 1.00 0.00 N ATOM 918 CA PHE A 61 -3.800 3.046 0.092 1.00 0.00 C ATOM 919 C PHE A 61 -5.094 2.267 -0.109 1.00 0.00 C ATOM 920 O PHE A 61 -5.073 1.074 -0.410 1.00 0.00 O ATOM 921 CB PHE A 61 -3.535 3.251 1.583 1.00 0.00 C ATOM 922 CG PHE A 61 -3.711 2.007 2.407 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.731 1.027 2.428 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.858 1.814 3.163 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.893 -0.118 3.184 1.00 0.00 C ATOM 926 CE2 PHE A 61 -5.021 0.672 3.922 1.00 0.00 C ATOM 927 CZ PHE A 61 -4.037 -0.295 3.932 1.00 0.00 C ATOM 0 H PHE A 61 -3.665 5.135 -0.002 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.983 2.465 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.518 3.622 1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.207 4.023 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.831 1.160 1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.633 2.566 3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.123 -0.875 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.918 0.536 4.507 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.163 -1.189 4.525 1.00 0.00 H new ATOM 937 N LEU A 62 -6.221 2.950 0.061 1.00 0.00 N ATOM 938 CA LEU A 62 -7.528 2.333 -0.138 1.00 0.00 C ATOM 939 C LEU A 62 -7.663 1.770 -1.546 1.00 0.00 C ATOM 940 O LEU A 62 -8.260 0.711 -1.747 1.00 0.00 O ATOM 941 CB LEU A 62 -8.642 3.351 0.139 1.00 0.00 C ATOM 942 CG LEU A 62 -9.252 3.284 1.545 1.00 0.00 C ATOM 943 CD1 LEU A 62 -8.166 2.993 2.573 1.00 0.00 C ATOM 944 CD2 LEU A 62 -9.953 4.598 1.859 1.00 0.00 C ATOM 0 H LEU A 62 -6.256 3.932 0.336 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.622 1.505 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.244 4.353 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.437 3.204 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.984 2.477 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.609 2.947 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.693 2.038 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.417 3.785 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.386 4.550 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.232 5.414 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.743 4.772 1.129 1.00 0.00 H new ATOM 956 N LYS A 63 -7.105 2.483 -2.519 1.00 0.00 N ATOM 957 CA LYS A 63 -7.139 2.041 -3.908 1.00 0.00 C ATOM 958 C LYS A 63 -6.267 0.810 -4.116 1.00 0.00 C ATOM 959 O LYS A 63 -6.610 -0.082 -4.892 1.00 0.00 O ATOM 960 CB LYS A 63 -6.690 3.169 -4.839 1.00 0.00 C ATOM 961 CG LYS A 63 -7.652 4.348 -4.910 1.00 0.00 C ATOM 962 CD LYS A 63 -7.096 5.463 -5.783 1.00 0.00 C ATOM 963 CE LYS A 63 -7.986 6.696 -5.739 1.00 0.00 C ATOM 964 NZ LYS A 63 -7.383 7.845 -6.466 1.00 0.00 N ATOM 0 H LYS A 63 -6.624 3.370 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.168 1.773 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.716 3.530 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.556 2.764 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.610 4.015 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.839 4.728 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.092 5.724 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.007 5.113 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.956 6.459 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.165 6.977 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.014 8.669 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.462 8.078 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.252 7.593 -7.466 1.00 0.00 H new ATOM 978 N MET A 64 -5.136 0.768 -3.419 1.00 0.00 N ATOM 979 CA MET A 64 -4.198 -0.341 -3.546 1.00 0.00 C ATOM 980 C MET A 64 -4.739 -1.598 -2.877 1.00 0.00 C ATOM 981 O MET A 64 -4.458 -2.714 -3.313 1.00 0.00 O ATOM 982 CB MET A 64 -2.847 0.039 -2.945 1.00 0.00 C ATOM 983 CG MET A 64 -2.078 1.088 -3.737 1.00 0.00 C ATOM 984 SD MET A 64 -1.670 0.536 -5.406 1.00 0.00 S ATOM 985 CE MET A 64 -3.003 1.277 -6.343 1.00 0.00 C ATOM 0 H MET A 64 -4.847 1.490 -2.760 1.00 0.00 H new ATOM 0 HA MET A 64 -4.067 -0.554 -4.607 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.005 0.410 -1.932 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.234 -0.859 -2.864 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.671 2.001 -3.795 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.159 1.338 -3.206 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.615 1.663 -7.286 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.767 0.526 -6.545 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.440 2.094 -5.770 1.00 0.00 H new ATOM 995 N MET A 65 -5.513 -1.410 -1.814 1.00 0.00 N ATOM 996 CA MET A 65 -6.135 -2.526 -1.112 1.00 0.00 C ATOM 997 C MET A 65 -7.253 -3.145 -1.942 1.00 0.00 C ATOM 998 O MET A 65 -7.543 -4.336 -1.820 1.00 0.00 O ATOM 999 CB MET A 65 -6.675 -2.065 0.240 1.00 0.00 C ATOM 1000 CG MET A 65 -5.601 -1.715 1.261 1.00 0.00 C ATOM 1001 SD MET A 65 -4.451 -3.074 1.554 1.00 0.00 S ATOM 1002 CE MET A 65 -5.527 -4.259 2.358 1.00 0.00 C ATOM 0 H MET A 65 -5.725 -0.494 -1.419 1.00 0.00 H new ATOM 0 HA MET A 65 -5.373 -3.288 -0.950 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.310 -1.193 0.085 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.308 -2.851 0.652 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.046 -0.843 0.914 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.076 -1.437 2.202 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.926 -5.050 2.807 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.105 -3.758 3.134 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.206 -4.691 1.623 1.00 0.00 H new ATOM 1012 N GLU A 66 -7.877 -2.330 -2.784 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.906 -2.814 -3.698 1.00 0.00 C ATOM 1014 C GLU A 66 -8.289 -3.493 -4.913 1.00 0.00 C ATOM 1015 O GLU A 66 -8.763 -4.538 -5.359 1.00 0.00 O ATOM 1016 CB GLU A 66 -9.812 -1.664 -4.141 1.00 0.00 C ATOM 1017 CG GLU A 66 -10.716 -1.117 -3.046 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.515 0.060 -3.534 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.328 0.455 -4.659 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.390 0.493 -2.822 1.00 0.00 O ATOM 0 H GLU A 66 -7.689 -1.330 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.506 -3.552 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.190 -0.853 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.432 -2.005 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.392 -1.901 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.113 -0.819 -2.188 1.00 0.00 H new