USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 THR OG1 : rot 180:sc= -0.84 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 GLN : amide:sc= -0.0517 K(o=-0.052,f=-0.61) USER MOD Set 2.2: A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl -124:sc= -0.0634 (180deg=-0.518) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 9 SER OG : rot 2:sc= 0.87 USER MOD Single : A 10 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.6!) USER MOD Single : A 12 ASN : amide:sc= -1.85! C(o=-1.8!,f=-1.9!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.239 (180deg=-1.76) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -6:sc= 0.437! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 172:sc= -5.81! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -146:sc= -2.57! (180deg=-7.29!) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= 1.2 (180deg=0.822) USER MOD Single : A 53 SER OG : rot 63:sc= 0.336 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 160:sc= -0.0161 (180deg=-0.475) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 67 SER OG : rot 110:sc= -1.52! USER MOD Single : A 69 SER OG : rot 180:sc= -1.54 USER MOD Single : A 74 THR OG1 : rot -129:sc= -4.3! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0026 X(o=-0.0026,f=-0.038) USER MOD Single : A 80 THR OG1 : rot 89:sc= 0.167 USER MOD Single : A 82 ASN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 86 THR OG1 : rot 62:sc= 1.29 USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.0391 (180deg=-0.345) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -32:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -8.970 -12.038 -8.159 1.00 0.00 N ATOM 9 CA PRO A 0 -9.485 -11.466 -6.926 1.00 0.00 C ATOM 10 C PRO A 0 -10.450 -10.315 -7.217 1.00 0.00 C ATOM 11 O PRO A 0 -10.985 -10.212 -8.320 1.00 0.00 O ATOM 12 CB PRO A 0 -8.253 -11.028 -6.151 1.00 0.00 C ATOM 13 CG PRO A 0 -7.128 -10.944 -7.169 1.00 0.00 C ATOM 14 CD PRO A 0 -7.588 -11.653 -8.432 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.560 -11.743 -8.937 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.031 -13.055 -8.107 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.072 -12.177 -6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.417 -10.064 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.014 -11.741 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.884 -9.903 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.224 -11.410 -6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.524 -10.997 -9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.969 -12.524 -8.645 1.00 0.00 H new ATOM 22 N MET A 1 -10.642 -9.477 -6.208 1.00 0.00 N ATOM 23 CA MET A 1 -11.533 -8.337 -6.342 1.00 0.00 C ATOM 24 C MET A 1 -10.900 -7.245 -7.206 1.00 0.00 C ATOM 25 O MET A 1 -11.596 -6.553 -7.947 1.00 0.00 O ATOM 26 CB MET A 1 -11.850 -7.772 -4.956 1.00 0.00 C ATOM 27 CG MET A 1 -12.913 -8.617 -4.250 1.00 0.00 C ATOM 28 SD MET A 1 -14.532 -8.220 -4.888 1.00 0.00 S ATOM 29 CE MET A 1 -14.800 -6.644 -4.095 1.00 0.00 C ATOM 0 H MET A 1 -10.196 -9.565 -5.295 1.00 0.00 H new ATOM 0 HA MET A 1 -12.450 -8.671 -6.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.942 -7.746 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.200 -6.744 -5.050 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.705 -9.677 -4.398 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.881 -8.433 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.727 -6.678 -3.523 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.968 -6.428 -3.425 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.869 -5.863 -4.852 1.00 0.00 H new ATOM 39 N GLU A 2 -9.586 -7.124 -7.083 1.00 0.00 N ATOM 40 CA GLU A 2 -8.851 -6.128 -7.843 1.00 0.00 C ATOM 41 C GLU A 2 -9.454 -4.740 -7.621 1.00 0.00 C ATOM 42 O GLU A 2 -10.553 -4.453 -8.092 1.00 0.00 O ATOM 43 CB GLU A 2 -8.826 -6.483 -9.331 1.00 0.00 C ATOM 44 CG GLU A 2 -8.766 -7.998 -9.533 1.00 0.00 C ATOM 45 CD GLU A 2 -10.091 -8.532 -10.081 1.00 0.00 C ATOM 46 OE1 GLU A 2 -11.102 -7.816 -9.916 1.00 0.00 O ATOM 47 OE2 GLU A 2 -10.062 -9.643 -10.652 1.00 0.00 O ATOM 0 H GLU A 2 -9.011 -7.700 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.820 -6.116 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.715 -6.083 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.964 -6.015 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.958 -8.245 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.537 -8.486 -8.585 1.00 0.00 H new ATOM 54 N PHE A 3 -8.707 -3.914 -6.903 1.00 0.00 N ATOM 55 CA PHE A 3 -9.154 -2.562 -6.612 1.00 0.00 C ATOM 56 C PHE A 3 -8.352 -1.535 -7.414 1.00 0.00 C ATOM 57 O PHE A 3 -7.122 -1.554 -7.400 1.00 0.00 O ATOM 58 CB PHE A 3 -8.916 -2.324 -5.119 1.00 0.00 C ATOM 59 CG PHE A 3 -9.779 -3.195 -4.205 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.355 -4.439 -3.853 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.970 -2.727 -3.744 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.156 -5.248 -3.004 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.771 -3.536 -2.896 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.347 -4.780 -2.544 1.00 0.00 C ATOM 0 H PHE A 3 -7.795 -4.155 -6.514 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.205 -2.452 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.866 -2.510 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.110 -1.275 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.410 -4.811 -4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.306 -1.739 -4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.819 -6.235 -2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.717 -3.164 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.956 -5.396 -1.899 1.00 0.00 H new ATOM 74 N THR A 4 -9.081 -0.663 -8.095 1.00 0.00 N ATOM 75 CA THR A 4 -8.453 0.370 -8.901 1.00 0.00 C ATOM 76 C THR A 4 -7.976 1.522 -8.015 1.00 0.00 C ATOM 77 O THR A 4 -8.421 1.660 -6.877 1.00 0.00 O ATOM 78 CB THR A 4 -9.453 0.803 -9.976 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.633 1.121 -9.244 1.00 0.00 O ATOM 80 CG2 THR A 4 -9.877 -0.354 -10.882 1.00 0.00 C ATOM 0 H THR A 4 -10.101 -0.651 -8.105 1.00 0.00 H new ATOM 0 HA THR A 4 -7.559 -0.005 -9.400 1.00 0.00 H new ATOM 0 HB THR A 4 -9.014 1.596 -10.582 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.334 1.413 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.586 0.008 -11.626 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.000 -0.763 -11.385 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.347 -1.133 -10.282 1.00 0.00 H new ATOM 88 N ALA A 5 -7.076 2.320 -8.571 1.00 0.00 N ATOM 89 CA ALA A 5 -6.533 3.456 -7.845 1.00 0.00 C ATOM 90 C ALA A 5 -7.683 4.327 -7.335 1.00 0.00 C ATOM 91 O ALA A 5 -7.586 4.926 -6.266 1.00 0.00 O ATOM 92 CB ALA A 5 -5.574 4.230 -8.752 1.00 0.00 C ATOM 0 H ALA A 5 -6.709 2.202 -9.515 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.964 3.121 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.167 5.082 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.760 3.576 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.111 4.585 -9.632 1.00 0.00 H new ATOM 98 N GLU A 6 -8.746 4.369 -8.125 1.00 0.00 N ATOM 99 CA GLU A 6 -9.914 5.156 -7.767 1.00 0.00 C ATOM 100 C GLU A 6 -10.598 4.561 -6.535 1.00 0.00 C ATOM 101 O GLU A 6 -10.932 5.283 -5.597 1.00 0.00 O ATOM 102 CB GLU A 6 -10.889 5.256 -8.942 1.00 0.00 C ATOM 103 CG GLU A 6 -10.545 6.444 -9.841 1.00 0.00 C ATOM 104 CD GLU A 6 -11.462 6.490 -11.065 1.00 0.00 C ATOM 105 OE1 GLU A 6 -11.774 5.396 -11.581 1.00 0.00 O ATOM 106 OE2 GLU A 6 -11.831 7.619 -11.455 1.00 0.00 O ATOM 0 H GLU A 6 -8.823 3.871 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.586 6.167 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.859 4.335 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.907 5.362 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.640 7.371 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.506 6.372 -10.163 1.00 0.00 H new ATOM 113 N GLN A 7 -10.787 3.250 -6.578 1.00 0.00 N ATOM 114 CA GLN A 7 -11.425 2.550 -5.476 1.00 0.00 C ATOM 115 C GLN A 7 -10.469 2.448 -4.286 1.00 0.00 C ATOM 116 O GLN A 7 -10.898 2.489 -3.135 1.00 0.00 O ATOM 117 CB GLN A 7 -11.906 1.165 -5.913 1.00 0.00 C ATOM 118 CG GLN A 7 -13.428 1.137 -6.068 1.00 0.00 C ATOM 119 CD GLN A 7 -14.031 -0.071 -5.348 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.421 -1.121 -5.225 1.00 0.00 O ATOM 121 NE2 GLN A 7 -15.259 0.135 -4.880 1.00 0.00 N ATOM 0 H GLN A 7 -10.510 2.655 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.299 3.122 -5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.436 0.894 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.598 0.421 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.855 2.055 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.689 1.102 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.712 1.038 -5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.747 -0.610 -4.384 1.00 0.00 H new ATOM 130 N LEU A 8 -9.189 2.317 -4.606 1.00 0.00 N ATOM 131 CA LEU A 8 -8.169 2.209 -3.577 1.00 0.00 C ATOM 132 C LEU A 8 -7.891 3.595 -2.993 1.00 0.00 C ATOM 133 O LEU A 8 -7.442 3.714 -1.854 1.00 0.00 O ATOM 134 CB LEU A 8 -6.923 1.514 -4.130 1.00 0.00 C ATOM 135 CG LEU A 8 -5.676 1.568 -3.245 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.499 0.262 -2.467 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.434 1.919 -4.067 1.00 0.00 C ATOM 0 H LEU A 8 -8.836 2.283 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.519 1.582 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.167 0.468 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.680 1.961 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.812 2.364 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.606 0.327 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.370 0.095 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.395 -0.567 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.562 1.951 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.282 1.163 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.571 2.893 -4.536 1.00 0.00 H new ATOM 149 N SER A 9 -8.171 4.609 -3.798 1.00 0.00 N ATOM 150 CA SER A 9 -7.957 5.982 -3.375 1.00 0.00 C ATOM 151 C SER A 9 -9.107 6.437 -2.473 1.00 0.00 C ATOM 152 O SER A 9 -9.110 7.567 -1.987 1.00 0.00 O ATOM 153 CB SER A 9 -7.827 6.916 -4.580 1.00 0.00 C ATOM 154 OG SER A 9 -7.961 8.286 -4.211 1.00 0.00 O ATOM 0 H SER A 9 -8.545 4.507 -4.742 1.00 0.00 H new ATOM 0 HA SER A 9 -7.024 6.025 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.858 6.762 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.588 6.663 -5.318 1.00 0.00 H new ATOM 0 HG SER A 9 -8.078 8.353 -3.240 1.00 0.00 H new ATOM 160 N GLN A 10 -10.055 5.533 -2.277 1.00 0.00 N ATOM 161 CA GLN A 10 -11.208 5.827 -1.442 1.00 0.00 C ATOM 162 C GLN A 10 -11.231 4.901 -0.224 1.00 0.00 C ATOM 163 O GLN A 10 -12.298 4.587 0.301 1.00 0.00 O ATOM 164 CB GLN A 10 -12.507 5.714 -2.241 1.00 0.00 C ATOM 165 CG GLN A 10 -12.534 4.425 -3.066 1.00 0.00 C ATOM 166 CD GLN A 10 -13.822 4.325 -3.885 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.914 4.802 -5.004 1.00 0.00 O ATOM 168 NE2 GLN A 10 -14.807 3.680 -3.268 1.00 0.00 N ATOM 0 H GLN A 10 -10.049 4.597 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.125 6.856 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.359 5.733 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.608 6.575 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.672 4.398 -3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.452 3.563 -2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.663 3.305 -2.330 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.707 3.560 -3.732 1.00 0.00 H new ATOM 177 N TYR A 11 -10.041 4.490 0.189 1.00 0.00 N ATOM 178 CA TYR A 11 -9.912 3.606 1.335 1.00 0.00 C ATOM 179 C TYR A 11 -8.637 3.914 2.124 1.00 0.00 C ATOM 180 O TYR A 11 -7.784 3.044 2.296 1.00 0.00 O ATOM 181 CB TYR A 11 -9.816 2.189 0.767 1.00 0.00 C ATOM 182 CG TYR A 11 -11.097 1.703 0.086 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.310 1.826 0.731 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.039 1.142 -1.174 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.516 1.369 0.090 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.245 0.685 -1.815 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.424 0.821 -1.151 1.00 0.00 C ATOM 188 OH TYR A 11 -14.563 0.390 -1.756 1.00 0.00 O ATOM 0 H TYR A 11 -9.158 4.753 -0.249 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.758 3.728 2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.998 2.152 0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.563 1.502 1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.355 2.265 1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.089 1.046 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.472 1.460 0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.214 0.244 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.320 0.932 -1.452 1.00 0.00 H new ATOM 198 N ASN A 12 -8.548 5.154 2.582 1.00 0.00 N ATOM 199 CA ASN A 12 -7.392 5.587 3.348 1.00 0.00 C ATOM 200 C ASN A 12 -7.800 5.793 4.808 1.00 0.00 C ATOM 201 O ASN A 12 -6.988 6.211 5.631 1.00 0.00 O ATOM 202 CB ASN A 12 -6.846 6.915 2.818 1.00 0.00 C ATOM 203 CG ASN A 12 -7.548 8.100 3.484 1.00 0.00 C ATOM 204 OD1 ASN A 12 -7.372 8.379 4.658 1.00 0.00 O ATOM 205 ND2 ASN A 12 -8.351 8.780 2.670 1.00 0.00 N ATOM 0 H ASN A 12 -9.257 5.872 2.437 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.623 4.820 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.773 6.972 3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.986 6.965 1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.865 9.589 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.453 8.492 1.697 1.00 0.00 H new ATOM 212 N GLY A 13 -9.060 5.488 5.085 1.00 0.00 N ATOM 213 CA GLY A 13 -9.586 5.635 6.431 1.00 0.00 C ATOM 214 C GLY A 13 -9.923 7.096 6.733 1.00 0.00 C ATOM 215 O GLY A 13 -9.050 7.870 7.124 1.00 0.00 O ATOM 0 H GLY A 13 -9.731 5.140 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.480 5.021 6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.855 5.270 7.153 1.00 0.00 H new ATOM 219 N THR A 14 -11.190 7.431 6.539 1.00 0.00 N ATOM 220 CA THR A 14 -11.652 8.786 6.785 1.00 0.00 C ATOM 221 C THR A 14 -13.167 8.878 6.586 1.00 0.00 C ATOM 222 O THR A 14 -13.876 9.417 7.433 1.00 0.00 O ATOM 223 CB THR A 14 -10.862 9.728 5.875 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.347 10.717 6.762 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.764 10.515 4.922 1.00 0.00 C ATOM 0 H THR A 14 -11.911 6.787 6.214 1.00 0.00 H new ATOM 0 HA THR A 14 -11.473 9.083 7.818 1.00 0.00 H new ATOM 0 HB THR A 14 -10.139 9.152 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.819 11.369 6.255 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.153 11.168 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.317 9.821 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.466 11.117 5.499 1.00 0.00 H new ATOM 293 N PRO A 19 -13.136 1.164 4.394 1.00 0.00 N ATOM 294 CA PRO A 19 -12.010 0.355 4.830 1.00 0.00 C ATOM 295 C PRO A 19 -10.686 0.956 4.352 1.00 0.00 C ATOM 296 O PRO A 19 -10.662 1.742 3.406 1.00 0.00 O ATOM 297 CB PRO A 19 -12.275 -1.028 4.258 1.00 0.00 C ATOM 298 CG PRO A 19 -13.289 -0.832 3.143 1.00 0.00 C ATOM 299 CD PRO A 19 -13.874 0.564 3.286 1.00 0.00 C ATOM 0 HA PRO A 19 -11.918 0.312 5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.357 -1.475 3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.662 -1.700 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.813 -0.949 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.076 -1.584 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.750 1.141 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.943 0.526 3.497 1.00 0.00 H new ATOM 307 N ILE A 20 -9.617 0.563 5.029 1.00 0.00 N ATOM 308 CA ILE A 20 -8.293 1.053 4.686 1.00 0.00 C ATOM 309 C ILE A 20 -7.555 -0.011 3.871 1.00 0.00 C ATOM 310 O ILE A 20 -7.381 -1.139 4.329 1.00 0.00 O ATOM 311 CB ILE A 20 -7.542 1.493 5.945 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.419 2.389 6.822 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.216 2.166 5.585 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.826 1.667 8.108 1.00 0.00 C ATOM 0 H ILE A 20 -9.641 -0.089 5.813 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.367 1.941 4.059 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.304 0.604 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.879 3.303 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.310 2.685 6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.702 2.469 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.591 1.465 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.409 3.044 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.449 2.326 8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.387 0.766 7.858 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.933 1.394 8.670 1.00 0.00 H new ATOM 326 N TYR A 21 -7.142 0.386 2.676 1.00 0.00 N ATOM 327 CA TYR A 21 -6.428 -0.519 1.792 1.00 0.00 C ATOM 328 C TYR A 21 -5.131 0.117 1.288 1.00 0.00 C ATOM 329 O TYR A 21 -5.118 1.284 0.898 1.00 0.00 O ATOM 330 CB TYR A 21 -7.357 -0.767 0.602 1.00 0.00 C ATOM 331 CG TYR A 21 -8.607 -1.578 0.948 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.590 -2.452 2.015 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.753 -1.434 0.192 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.767 -3.215 2.340 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.930 -2.197 0.517 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.879 -3.050 1.575 1.00 0.00 C ATOM 337 OH TYR A 21 -11.991 -3.770 1.882 1.00 0.00 O ATOM 0 H TYR A 21 -7.288 1.323 2.300 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.165 -1.438 2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.663 0.193 0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.802 -1.289 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.694 -2.564 2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.767 -0.749 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.767 -3.903 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.833 -2.094 -0.066 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.708 -3.549 1.252 1.00 0.00 H new ATOM 347 N VAL A 22 -4.071 -0.678 1.311 1.00 0.00 N ATOM 348 CA VAL A 22 -2.772 -0.208 0.861 1.00 0.00 C ATOM 349 C VAL A 22 -2.368 -0.970 -0.402 1.00 0.00 C ATOM 350 O VAL A 22 -2.769 -2.117 -0.594 1.00 0.00 O ATOM 351 CB VAL A 22 -1.749 -0.337 1.991 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.441 0.371 1.630 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.315 0.196 3.308 1.00 0.00 C ATOM 0 H VAL A 22 -4.086 -1.645 1.635 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.817 0.850 0.601 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.531 -1.397 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.269 0.264 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.023 -0.075 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.636 1.429 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.567 0.092 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.576 1.248 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.206 -0.372 3.577 1.00 0.00 H new ATOM 363 N ALA A 23 -1.579 -0.302 -1.231 1.00 0.00 N ATOM 364 CA ALA A 23 -1.117 -0.903 -2.471 1.00 0.00 C ATOM 365 C ALA A 23 0.401 -1.084 -2.409 1.00 0.00 C ATOM 366 O ALA A 23 1.123 -0.174 -2.003 1.00 0.00 O ATOM 367 CB ALA A 23 -1.553 -0.035 -3.653 1.00 0.00 C ATOM 0 H ALA A 23 -1.248 0.649 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.562 -1.888 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.206 -0.486 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.640 0.039 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.123 0.961 -3.551 1.00 0.00 H new ATOM 373 N ILE A 24 0.842 -2.264 -2.818 1.00 0.00 N ATOM 374 CA ILE A 24 2.261 -2.576 -2.815 1.00 0.00 C ATOM 375 C ILE A 24 2.580 -3.493 -3.997 1.00 0.00 C ATOM 376 O ILE A 24 2.179 -4.656 -4.012 1.00 0.00 O ATOM 377 CB ILE A 24 2.680 -3.151 -1.460 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.957 -2.033 -0.453 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.874 -4.096 -1.611 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.418 -2.606 0.889 1.00 0.00 C ATOM 0 H ILE A 24 0.241 -3.016 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 24 2.851 -1.669 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 24 1.851 -3.740 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.721 -1.364 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.056 -1.438 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.152 -4.491 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.605 -4.920 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.718 -3.552 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.608 -1.790 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.642 -3.256 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.333 -3.180 0.744 1.00 0.00 H new ATOM 392 N LYS A 25 3.299 -2.935 -4.960 1.00 0.00 N ATOM 393 CA LYS A 25 3.677 -3.688 -6.144 1.00 0.00 C ATOM 394 C LYS A 25 2.435 -3.937 -7.003 1.00 0.00 C ATOM 395 O LYS A 25 2.467 -4.749 -7.926 1.00 0.00 O ATOM 396 CB LYS A 25 4.419 -4.968 -5.751 1.00 0.00 C ATOM 397 CG LYS A 25 5.681 -4.645 -4.948 1.00 0.00 C ATOM 398 CD LYS A 25 5.764 -5.508 -3.687 1.00 0.00 C ATOM 399 CE LYS A 25 6.344 -6.888 -4.005 1.00 0.00 C ATOM 400 NZ LYS A 25 7.732 -6.765 -4.503 1.00 0.00 N ATOM 0 H LYS A 25 3.630 -1.970 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 25 4.377 -3.115 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.762 -5.607 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.687 -5.527 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.563 -4.813 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.681 -3.591 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.385 -5.011 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.771 -5.618 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.326 -7.511 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.726 -7.385 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.257 -7.636 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.720 -6.615 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.196 -5.957 -4.041 1.00 0.00 H new ATOM 414 N GLY A 26 1.371 -3.222 -6.668 1.00 0.00 N ATOM 415 CA GLY A 26 0.121 -3.355 -7.397 1.00 0.00 C ATOM 416 C GLY A 26 -0.833 -4.311 -6.679 1.00 0.00 C ATOM 417 O GLY A 26 -1.795 -4.797 -7.273 1.00 0.00 O ATOM 0 H GLY A 26 1.349 -2.549 -5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.349 -2.377 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.320 -3.722 -8.404 1.00 0.00 H new ATOM 421 N ARG A 27 -0.535 -4.553 -5.411 1.00 0.00 N ATOM 422 CA ARG A 27 -1.355 -5.442 -4.606 1.00 0.00 C ATOM 423 C ARG A 27 -2.024 -4.664 -3.470 1.00 0.00 C ATOM 424 O ARG A 27 -1.360 -3.928 -2.742 1.00 0.00 O ATOM 425 CB ARG A 27 -0.517 -6.577 -4.013 1.00 0.00 C ATOM 426 CG ARG A 27 -1.381 -7.809 -3.737 1.00 0.00 C ATOM 427 CD ARG A 27 -0.605 -8.854 -2.932 1.00 0.00 C ATOM 428 NE ARG A 27 -0.266 -10.008 -3.794 1.00 0.00 N ATOM 429 CZ ARG A 27 0.475 -11.051 -3.396 1.00 0.00 C ATOM 430 NH1 ARG A 27 0.958 -11.092 -2.147 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.732 -12.054 -4.247 1.00 0.00 N ATOM 0 H ARG A 27 0.263 -4.149 -4.921 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.118 -5.870 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.287 -6.839 -4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.048 -6.243 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.276 -7.514 -3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.713 -8.244 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.306 -8.411 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.201 -9.187 -2.083 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.619 -10.010 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.762 -10.329 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.522 -11.886 -1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.364 -12.023 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.296 -12.848 -3.944 1.00 0.00 H new ATOM 445 N VAL A 28 -3.330 -4.855 -3.355 1.00 0.00 N ATOM 446 CA VAL A 28 -4.096 -4.181 -2.321 1.00 0.00 C ATOM 447 C VAL A 28 -4.017 -4.989 -1.025 1.00 0.00 C ATOM 448 O VAL A 28 -4.384 -6.163 -0.998 1.00 0.00 O ATOM 449 CB VAL A 28 -5.533 -3.954 -2.798 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.453 -3.615 -1.623 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.589 -2.865 -3.870 1.00 0.00 C ATOM 0 H VAL A 28 -3.877 -5.467 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.676 -3.196 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.889 -4.882 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.468 -3.458 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.448 -4.438 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.099 -2.707 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.621 -2.724 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.205 -1.931 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.981 -3.163 -4.724 1.00 0.00 H new ATOM 461 N PHE A 29 -3.536 -4.329 0.019 1.00 0.00 N ATOM 462 CA PHE A 29 -3.404 -4.972 1.315 1.00 0.00 C ATOM 463 C PHE A 29 -4.305 -4.301 2.354 1.00 0.00 C ATOM 464 O PHE A 29 -4.603 -3.112 2.248 1.00 0.00 O ATOM 465 CB PHE A 29 -1.945 -4.814 1.746 1.00 0.00 C ATOM 466 CG PHE A 29 -0.972 -5.726 0.995 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.083 -7.077 1.106 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.003 -5.186 0.217 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.181 -7.923 0.410 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.906 -6.032 -0.480 1.00 0.00 C ATOM 471 CZ PHE A 29 0.795 -7.383 -0.369 1.00 0.00 C ATOM 0 H PHE A 29 -3.233 -3.355 -0.007 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.696 -6.020 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.643 -3.777 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.868 -5.019 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.858 -7.506 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.091 -4.113 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.269 -8.996 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.681 -5.603 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.481 -8.027 -0.899 1.00 0.00 H new ATOM 481 N ASP A 30 -4.715 -5.093 3.334 1.00 0.00 N ATOM 482 CA ASP A 30 -5.576 -4.591 4.391 1.00 0.00 C ATOM 483 C ASP A 30 -4.727 -4.254 5.619 1.00 0.00 C ATOM 484 O ASP A 30 -3.999 -5.106 6.127 1.00 0.00 O ATOM 485 CB ASP A 30 -6.609 -5.640 4.805 1.00 0.00 C ATOM 486 CG ASP A 30 -7.053 -5.569 6.267 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.152 -5.505 7.131 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.284 -5.582 6.488 1.00 0.00 O ATOM 0 H ASP A 30 -4.467 -6.079 3.418 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.090 -3.707 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.488 -5.534 4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.195 -6.630 4.614 1.00 0.00 H new ATOM 493 N VAL A 31 -4.847 -3.010 6.059 1.00 0.00 N ATOM 494 CA VAL A 31 -4.100 -2.551 7.217 1.00 0.00 C ATOM 495 C VAL A 31 -5.068 -1.953 8.240 1.00 0.00 C ATOM 496 O VAL A 31 -4.643 -1.379 9.241 1.00 0.00 O ATOM 497 CB VAL A 31 -3.010 -1.570 6.781 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.158 -2.161 5.657 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.616 -0.228 6.362 1.00 0.00 C ATOM 0 H VAL A 31 -5.450 -2.306 5.634 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.593 -3.387 7.700 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.359 -1.391 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.391 -1.443 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.683 -3.079 6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.792 -2.383 4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.820 0.451 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.301 -0.383 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.159 0.204 7.202 1.00 0.00 H new ATOM 509 N THR A 32 -6.352 -2.108 7.952 1.00 0.00 N ATOM 510 CA THR A 32 -7.385 -1.590 8.834 1.00 0.00 C ATOM 511 C THR A 32 -7.162 -2.086 10.264 1.00 0.00 C ATOM 512 O THR A 32 -7.587 -1.441 11.222 1.00 0.00 O ATOM 513 CB THR A 32 -8.744 -1.991 8.257 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.517 -2.340 9.402 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.676 -3.286 7.444 1.00 0.00 C ATOM 0 H THR A 32 -6.701 -2.585 7.121 1.00 0.00 H new ATOM 0 HA THR A 32 -7.348 -0.502 8.891 1.00 0.00 H new ATOM 0 HB THR A 32 -9.123 -1.186 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.415 -2.611 9.120 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.667 -3.525 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.983 -3.158 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.330 -4.099 8.083 1.00 0.00 H new ATOM 523 N THR A 33 -6.495 -3.226 10.364 1.00 0.00 N ATOM 524 CA THR A 33 -6.210 -3.815 11.662 1.00 0.00 C ATOM 525 C THR A 33 -5.492 -2.806 12.560 1.00 0.00 C ATOM 526 O THR A 33 -5.316 -3.047 13.753 1.00 0.00 O ATOM 527 CB THR A 33 -5.412 -5.100 11.433 1.00 0.00 C ATOM 528 OG1 THR A 33 -5.003 -5.493 12.740 1.00 0.00 O ATOM 529 CG2 THR A 33 -4.098 -4.849 10.691 1.00 0.00 C ATOM 0 H THR A 33 -6.144 -3.758 9.568 1.00 0.00 H new ATOM 0 HA THR A 33 -7.128 -4.075 12.188 1.00 0.00 H new ATOM 0 HB THR A 33 -6.019 -5.807 10.868 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.256 -4.799 13.384 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.571 -5.793 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.309 -4.407 9.717 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.477 -4.167 11.272 1.00 0.00 H new ATOM 537 N GLY A 34 -5.097 -1.697 11.952 1.00 0.00 N ATOM 538 CA GLY A 34 -4.402 -0.650 12.681 1.00 0.00 C ATOM 539 C GLY A 34 -4.603 0.711 12.011 1.00 0.00 C ATOM 540 O GLY A 34 -3.647 1.464 11.830 1.00 0.00 O ATOM 0 H GLY A 34 -5.245 -1.501 10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.768 -0.612 13.707 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.338 -0.881 12.731 1.00 0.00 H new ATOM 544 N LYS A 35 -5.851 0.984 11.661 1.00 0.00 N ATOM 545 CA LYS A 35 -6.188 2.241 11.015 1.00 0.00 C ATOM 546 C LYS A 35 -5.586 3.398 11.814 1.00 0.00 C ATOM 547 O LYS A 35 -5.362 4.480 11.274 1.00 0.00 O ATOM 548 CB LYS A 35 -7.702 2.352 10.817 1.00 0.00 C ATOM 549 CG LYS A 35 -8.370 2.982 12.042 1.00 0.00 C ATOM 550 CD LYS A 35 -9.769 3.497 11.698 1.00 0.00 C ATOM 551 CE LYS A 35 -10.055 4.822 12.409 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.446 4.849 12.913 1.00 0.00 N ATOM 0 H LYS A 35 -6.641 0.357 11.812 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.755 2.284 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.914 2.954 9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.123 1.363 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.436 2.246 12.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.757 3.803 12.413 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.856 3.632 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.515 2.756 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.359 4.955 13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.895 5.653 11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.624 5.754 13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.106 4.744 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.587 4.068 13.585 1.00 0.00 H new ATOM 566 N SER A 36 -5.341 3.131 13.088 1.00 0.00 N ATOM 567 CA SER A 36 -4.768 4.137 13.967 1.00 0.00 C ATOM 568 C SER A 36 -3.449 4.649 13.387 1.00 0.00 C ATOM 569 O SER A 36 -2.966 5.711 13.777 1.00 0.00 O ATOM 570 CB SER A 36 -4.547 3.577 15.374 1.00 0.00 C ATOM 571 OG SER A 36 -4.818 4.546 16.383 1.00 0.00 O ATOM 0 H SER A 36 -5.529 2.233 13.533 1.00 0.00 H new ATOM 0 HA SER A 36 -5.471 4.967 14.041 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.189 2.709 15.524 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.517 3.232 15.469 1.00 0.00 H new ATOM 0 HG SER A 36 -4.667 4.149 17.266 1.00 0.00 H new ATOM 577 N PHE A 37 -2.903 3.871 12.464 1.00 0.00 N ATOM 578 CA PHE A 37 -1.649 4.233 11.826 1.00 0.00 C ATOM 579 C PHE A 37 -1.875 4.652 10.372 1.00 0.00 C ATOM 580 O PHE A 37 -1.291 5.630 9.906 1.00 0.00 O ATOM 581 CB PHE A 37 -0.758 2.990 11.853 1.00 0.00 C ATOM 582 CG PHE A 37 -0.408 2.506 13.262 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.686 3.003 13.899 1.00 0.00 C ATOM 584 CD2 PHE A 37 -1.190 1.578 13.876 1.00 0.00 C ATOM 585 CE1 PHE A 37 1.011 2.553 15.206 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.865 1.129 15.183 1.00 0.00 C ATOM 587 CZ PHE A 37 0.228 1.626 15.821 1.00 0.00 C ATOM 0 H PHE A 37 -3.306 2.991 12.143 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.193 5.072 12.352 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.260 2.184 11.317 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.165 3.205 11.314 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.307 3.739 13.411 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.058 1.183 13.369 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.880 2.947 15.712 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.486 0.392 15.671 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.474 1.285 16.816 1.00 0.00 H new ATOM 597 N TYR A 38 -2.723 3.892 9.695 1.00 0.00 N ATOM 598 CA TYR A 38 -3.033 4.173 8.303 1.00 0.00 C ATOM 599 C TYR A 38 -4.276 5.057 8.186 1.00 0.00 C ATOM 600 O TYR A 38 -4.332 5.946 7.338 1.00 0.00 O ATOM 601 CB TYR A 38 -3.323 2.818 7.655 1.00 0.00 C ATOM 602 CG TYR A 38 -2.275 2.382 6.629 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.154 3.061 5.434 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.450 1.309 6.900 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.167 2.650 4.469 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.463 0.898 5.935 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.370 1.589 4.767 1.00 0.00 C ATOM 608 OH TYR A 38 0.562 1.202 3.856 1.00 0.00 O ATOM 0 H TYR A 38 -3.205 3.082 10.084 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.207 4.698 7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.390 2.060 8.436 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.297 2.861 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.799 3.901 5.222 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.545 0.778 7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.062 3.173 3.530 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.189 0.060 6.134 1.00 0.00 H new ATOM 0 HH TYR A 38 1.142 0.518 4.252 1.00 0.00 H new ATOM 618 N GLY A 39 -5.242 4.783 9.051 1.00 0.00 N ATOM 619 CA GLY A 39 -6.481 5.543 9.055 1.00 0.00 C ATOM 620 C GLY A 39 -6.202 7.046 8.984 1.00 0.00 C ATOM 621 O GLY A 39 -5.048 7.470 9.028 1.00 0.00 O ATOM 0 H GLY A 39 -5.192 4.045 9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.098 5.244 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.048 5.317 9.958 1.00 0.00 H new ATOM 625 N SER A 40 -7.279 7.810 8.876 1.00 0.00 N ATOM 626 CA SER A 40 -7.165 9.257 8.798 1.00 0.00 C ATOM 627 C SER A 40 -6.046 9.743 9.721 1.00 0.00 C ATOM 628 O SER A 40 -6.005 9.384 10.897 1.00 0.00 O ATOM 629 CB SER A 40 -8.487 9.934 9.165 1.00 0.00 C ATOM 630 OG SER A 40 -8.363 11.352 9.219 1.00 0.00 O ATOM 0 H SER A 40 -8.234 7.455 8.841 1.00 0.00 H new ATOM 0 HA SER A 40 -6.923 9.527 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.248 9.664 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.828 9.563 10.131 1.00 0.00 H new ATOM 0 HG SER A 40 -9.228 11.747 9.455 1.00 0.00 H new ATOM 636 N GLY A 41 -5.165 10.554 9.154 1.00 0.00 N ATOM 637 CA GLY A 41 -4.048 11.094 9.911 1.00 0.00 C ATOM 638 C GLY A 41 -3.425 10.022 10.807 1.00 0.00 C ATOM 639 O GLY A 41 -3.746 9.934 11.991 1.00 0.00 O ATOM 0 H GLY A 41 -5.202 10.850 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.295 11.484 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.388 11.931 10.521 1.00 0.00 H new ATOM 643 N GLY A 42 -2.543 9.235 10.208 1.00 0.00 N ATOM 644 CA GLY A 42 -1.872 8.173 10.938 1.00 0.00 C ATOM 645 C GLY A 42 -0.447 7.967 10.419 1.00 0.00 C ATOM 646 O GLY A 42 -0.012 8.659 9.500 1.00 0.00 O ATOM 0 H GLY A 42 -2.278 9.312 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.844 8.418 12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.437 7.246 10.839 1.00 0.00 H new ATOM 650 N ASP A 43 0.239 7.013 11.030 1.00 0.00 N ATOM 651 CA ASP A 43 1.606 6.708 10.641 1.00 0.00 C ATOM 652 C ASP A 43 1.695 6.645 9.115 1.00 0.00 C ATOM 653 O ASP A 43 2.562 7.278 8.514 1.00 0.00 O ATOM 654 CB ASP A 43 2.047 5.352 11.197 1.00 0.00 C ATOM 655 CG ASP A 43 3.272 5.395 12.111 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.729 6.524 12.395 1.00 0.00 O ATOM 657 OD2 ASP A 43 3.725 4.299 12.506 1.00 0.00 O ATOM 0 H ASP A 43 -0.126 6.441 11.792 1.00 0.00 H new ATOM 0 HA ASP A 43 2.253 7.489 11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.215 4.915 11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.259 4.685 10.361 1.00 0.00 H new ATOM 662 N TYR A 44 0.787 5.876 8.532 1.00 0.00 N ATOM 663 CA TYR A 44 0.753 5.723 7.087 1.00 0.00 C ATOM 664 C TYR A 44 -0.326 6.612 6.467 1.00 0.00 C ATOM 665 O TYR A 44 -1.221 6.121 5.781 1.00 0.00 O ATOM 666 CB TYR A 44 0.401 4.257 6.827 1.00 0.00 C ATOM 667 CG TYR A 44 0.998 3.283 7.845 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.367 3.163 7.964 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.166 2.525 8.645 1.00 0.00 C ATOM 670 CE1 TYR A 44 2.929 2.247 8.923 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.728 1.608 9.603 1.00 0.00 C ATOM 672 CZ TYR A 44 2.082 1.515 9.694 1.00 0.00 C ATOM 673 OH TYR A 44 2.613 0.649 10.599 1.00 0.00 O ATOM 0 H TYR A 44 0.070 5.352 9.034 1.00 0.00 H new ATOM 0 HA TYR A 44 1.709 6.008 6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.684 4.149 6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.747 3.982 5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.017 3.756 7.338 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.906 2.620 8.552 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.999 2.144 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.089 1.008 10.234 1.00 0.00 H new ATOM 0 HH TYR A 44 1.890 0.195 11.080 1.00 0.00 H new ATOM 683 N SER A 45 -0.207 7.905 6.731 1.00 0.00 N ATOM 684 CA SER A 45 -1.161 8.867 6.208 1.00 0.00 C ATOM 685 C SER A 45 -0.949 9.049 4.703 1.00 0.00 C ATOM 686 O SER A 45 -1.900 9.299 3.965 1.00 0.00 O ATOM 687 CB SER A 45 -1.038 10.212 6.927 1.00 0.00 C ATOM 688 OG SER A 45 0.142 10.915 6.546 1.00 0.00 O ATOM 0 H SER A 45 0.536 8.309 7.301 1.00 0.00 H new ATOM 0 HA SER A 45 -2.166 8.482 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.912 10.824 6.704 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.030 10.048 8.005 1.00 0.00 H new ATOM 0 HG SER A 45 0.183 11.769 7.025 1.00 0.00 H new ATOM 694 N MET A 46 0.304 8.915 4.294 1.00 0.00 N ATOM 695 CA MET A 46 0.652 9.060 2.891 1.00 0.00 C ATOM 696 C MET A 46 0.381 7.766 2.121 1.00 0.00 C ATOM 697 O MET A 46 0.054 7.801 0.936 1.00 0.00 O ATOM 698 CB MET A 46 2.133 9.427 2.768 1.00 0.00 C ATOM 699 CG MET A 46 3.002 8.485 3.603 1.00 0.00 C ATOM 700 SD MET A 46 3.478 9.284 5.127 1.00 0.00 S ATOM 701 CE MET A 46 3.917 10.899 4.506 1.00 0.00 C ATOM 0 H MET A 46 1.090 8.708 4.910 1.00 0.00 H new ATOM 0 HA MET A 46 0.035 9.850 2.463 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.438 9.378 1.723 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.285 10.455 3.097 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.454 7.568 3.819 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.890 8.201 3.039 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.742 11.303 5.093 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.221 10.817 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.057 11.564 4.583 1.00 0.00 H new ATOM 711 N PHE A 47 0.527 6.654 2.826 1.00 0.00 N ATOM 712 CA PHE A 47 0.302 5.351 2.224 1.00 0.00 C ATOM 713 C PHE A 47 -1.194 5.059 2.092 1.00 0.00 C ATOM 714 O PHE A 47 -1.621 4.402 1.144 1.00 0.00 O ATOM 715 CB PHE A 47 0.932 4.313 3.155 1.00 0.00 C ATOM 716 CG PHE A 47 2.411 4.565 3.458 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.125 5.429 2.688 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.011 3.925 4.497 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.497 5.662 2.969 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.383 4.158 4.778 1.00 0.00 C ATOM 721 CZ PHE A 47 5.097 5.022 4.008 1.00 0.00 C ATOM 0 H PHE A 47 0.798 6.628 3.809 1.00 0.00 H new ATOM 0 HA PHE A 47 0.740 5.322 1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.377 4.297 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.827 3.326 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.649 5.938 1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.444 3.239 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.064 6.348 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.859 3.649 5.603 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.141 5.200 4.222 1.00 0.00 H new ATOM 731 N ALA A 48 -1.950 5.561 3.058 1.00 0.00 N ATOM 732 CA ALA A 48 -3.389 5.362 3.062 1.00 0.00 C ATOM 733 C ALA A 48 -3.964 5.807 1.715 1.00 0.00 C ATOM 734 O ALA A 48 -3.786 6.953 1.308 1.00 0.00 O ATOM 735 CB ALA A 48 -4.006 6.121 4.238 1.00 0.00 C ATOM 0 H ALA A 48 -1.593 6.105 3.843 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.631 4.307 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.086 5.972 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.586 5.749 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.787 7.184 4.140 1.00 0.00 H new ATOM 741 N GLY A 49 -4.643 4.875 1.062 1.00 0.00 N ATOM 742 CA GLY A 49 -5.246 5.157 -0.230 1.00 0.00 C ATOM 743 C GLY A 49 -4.176 5.483 -1.275 1.00 0.00 C ATOM 744 O GLY A 49 -4.404 6.298 -2.167 1.00 0.00 O ATOM 0 H GLY A 49 -4.789 3.925 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.830 4.297 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.937 5.995 -0.138 1.00 0.00 H new ATOM 748 N LYS A 50 -3.033 4.830 -1.128 1.00 0.00 N ATOM 749 CA LYS A 50 -1.927 5.041 -2.048 1.00 0.00 C ATOM 750 C LYS A 50 -0.919 3.900 -1.896 1.00 0.00 C ATOM 751 O LYS A 50 -0.781 3.328 -0.816 1.00 0.00 O ATOM 752 CB LYS A 50 -1.319 6.430 -1.845 1.00 0.00 C ATOM 753 CG LYS A 50 -2.161 7.504 -2.538 1.00 0.00 C ATOM 754 CD LYS A 50 -1.277 8.634 -3.071 1.00 0.00 C ATOM 755 CE LYS A 50 -2.076 9.573 -3.977 1.00 0.00 C ATOM 756 NZ LYS A 50 -1.653 10.976 -3.770 1.00 0.00 N ATOM 0 H LYS A 50 -2.848 4.155 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.279 5.021 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.250 6.648 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.303 6.448 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.722 7.058 -3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.891 7.908 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.858 9.197 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.438 8.214 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.930 9.293 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.141 9.473 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.430 11.615 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.409 11.121 -2.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.822 11.179 -4.362 1.00 0.00 H new ATOM 770 N ASP A 51 -0.241 3.604 -2.995 1.00 0.00 N ATOM 771 CA ASP A 51 0.751 2.541 -2.998 1.00 0.00 C ATOM 772 C ASP A 51 2.099 3.107 -2.548 1.00 0.00 C ATOM 773 O ASP A 51 2.772 3.799 -3.310 1.00 0.00 O ATOM 774 CB ASP A 51 0.928 1.957 -4.401 1.00 0.00 C ATOM 775 CG ASP A 51 1.878 0.761 -4.488 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.817 0.721 -3.665 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.643 -0.087 -5.377 1.00 0.00 O ATOM 0 H ASP A 51 -0.358 4.081 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 51 0.408 1.758 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.049 1.654 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.295 2.742 -5.062 1.00 0.00 H new ATOM 782 N ALA A 52 2.454 2.791 -1.311 1.00 0.00 N ATOM 783 CA ALA A 52 3.710 3.259 -0.750 1.00 0.00 C ATOM 784 C ALA A 52 4.798 2.214 -1.005 1.00 0.00 C ATOM 785 O ALA A 52 5.441 1.741 -0.069 1.00 0.00 O ATOM 786 CB ALA A 52 3.525 3.556 0.739 1.00 0.00 C ATOM 0 H ALA A 52 1.894 2.216 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 52 4.023 4.186 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.467 3.907 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.763 4.325 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.213 2.648 1.255 1.00 0.00 H new ATOM 792 N SER A 53 4.971 1.884 -2.277 1.00 0.00 N ATOM 793 CA SER A 53 5.970 0.904 -2.667 1.00 0.00 C ATOM 794 C SER A 53 7.368 1.524 -2.595 1.00 0.00 C ATOM 795 O SER A 53 8.242 1.013 -1.896 1.00 0.00 O ATOM 796 CB SER A 53 5.698 0.370 -4.075 1.00 0.00 C ATOM 797 OG SER A 53 4.714 -0.661 -4.074 1.00 0.00 O ATOM 0 H SER A 53 4.436 2.278 -3.051 1.00 0.00 H new ATOM 0 HA SER A 53 5.915 0.065 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.366 1.188 -4.715 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.624 -0.013 -4.503 1.00 0.00 H new ATOM 0 HG SER A 53 3.861 -0.298 -3.757 1.00 0.00 H new ATOM 803 N ARG A 54 7.534 2.615 -3.327 1.00 0.00 N ATOM 804 CA ARG A 54 8.810 3.310 -3.356 1.00 0.00 C ATOM 805 C ARG A 54 9.133 3.883 -1.974 1.00 0.00 C ATOM 806 O ARG A 54 10.271 3.803 -1.515 1.00 0.00 O ATOM 807 CB ARG A 54 8.796 4.445 -4.381 1.00 0.00 C ATOM 808 CG ARG A 54 8.034 4.036 -5.643 1.00 0.00 C ATOM 809 CD ARG A 54 8.870 4.297 -6.897 1.00 0.00 C ATOM 810 NE ARG A 54 8.631 5.673 -7.387 1.00 0.00 N ATOM 811 CZ ARG A 54 7.807 5.979 -8.398 1.00 0.00 C ATOM 812 NH1 ARG A 54 7.137 5.007 -9.033 1.00 0.00 N ATOM 813 NH2 ARG A 54 7.652 7.255 -8.774 1.00 0.00 N ATOM 0 H ARG A 54 6.806 3.035 -3.905 1.00 0.00 H new ATOM 0 HA ARG A 54 9.575 2.588 -3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.333 5.329 -3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.819 4.717 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.774 2.979 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.098 4.592 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.928 4.160 -6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.612 3.576 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 54 9.125 6.437 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.255 4.035 -8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.509 5.239 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.162 7.995 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.024 7.487 -9.544 1.00 0.00 H new ATOM 827 N ALA A 55 8.110 4.449 -1.350 1.00 0.00 N ATOM 828 CA ALA A 55 8.271 5.035 -0.030 1.00 0.00 C ATOM 829 C ALA A 55 8.747 3.959 0.947 1.00 0.00 C ATOM 830 O ALA A 55 9.564 4.230 1.826 1.00 0.00 O ATOM 831 CB ALA A 55 6.953 5.678 0.407 1.00 0.00 C ATOM 0 H ALA A 55 7.167 4.514 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 55 9.027 5.820 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.073 6.118 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.674 6.456 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.171 4.919 0.440 1.00 0.00 H new ATOM 837 N LEU A 56 8.215 2.760 0.761 1.00 0.00 N ATOM 838 CA LEU A 56 8.575 1.641 1.616 1.00 0.00 C ATOM 839 C LEU A 56 9.986 1.167 1.261 1.00 0.00 C ATOM 840 O LEU A 56 10.818 0.969 2.145 1.00 0.00 O ATOM 841 CB LEU A 56 7.516 0.539 1.530 1.00 0.00 C ATOM 842 CG LEU A 56 6.327 0.676 2.483 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.211 -0.302 2.110 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.769 0.514 3.939 1.00 0.00 C ATOM 0 H LEU A 56 7.538 2.539 0.031 1.00 0.00 H new ATOM 0 HA LEU A 56 8.596 1.951 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.136 0.507 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.000 -0.419 1.720 1.00 0.00 H new ATOM 0 HG LEU A 56 5.921 1.682 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.378 -0.184 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.871 -0.096 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.588 -1.323 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.905 0.616 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.215 -0.471 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.503 1.282 4.184 1.00 0.00 H new ATOM 856 N GLY A 57 10.211 0.999 -0.034 1.00 0.00 N ATOM 857 CA GLY A 57 11.507 0.553 -0.516 1.00 0.00 C ATOM 858 C GLY A 57 12.618 1.502 -0.062 1.00 0.00 C ATOM 859 O GLY A 57 13.439 1.144 0.780 1.00 0.00 O ATOM 0 H GLY A 57 9.518 1.164 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.710 -0.452 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.494 0.497 -1.604 1.00 0.00 H new ATOM 863 N LYS A 58 12.607 2.694 -0.641 1.00 0.00 N ATOM 864 CA LYS A 58 13.603 3.697 -0.306 1.00 0.00 C ATOM 865 C LYS A 58 13.464 4.076 1.170 1.00 0.00 C ATOM 866 O LYS A 58 14.405 4.588 1.774 1.00 0.00 O ATOM 867 CB LYS A 58 13.504 4.890 -1.259 1.00 0.00 C ATOM 868 CG LYS A 58 13.463 4.425 -2.716 1.00 0.00 C ATOM 869 CD LYS A 58 12.358 5.147 -3.491 1.00 0.00 C ATOM 870 CE LYS A 58 12.848 5.571 -4.877 1.00 0.00 C ATOM 871 NZ LYS A 58 13.503 6.897 -4.812 1.00 0.00 N ATOM 0 H LYS A 58 11.924 2.987 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 58 14.607 3.295 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.608 5.468 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.357 5.552 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.427 4.614 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.295 3.349 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.492 4.492 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.031 6.024 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.549 4.831 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.008 5.607 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.830 7.170 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.824 7.603 -4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.317 6.851 -4.166 1.00 0.00 H new ATOM 885 N MET A 59 12.283 3.809 1.707 1.00 0.00 N ATOM 886 CA MET A 59 12.008 4.115 3.101 1.00 0.00 C ATOM 887 C MET A 59 11.990 5.627 3.337 1.00 0.00 C ATOM 888 O MET A 59 12.629 6.122 4.264 1.00 0.00 O ATOM 889 CB MET A 59 13.079 3.473 3.985 1.00 0.00 C ATOM 890 CG MET A 59 13.136 1.960 3.766 1.00 0.00 C ATOM 891 SD MET A 59 14.771 1.350 4.143 1.00 0.00 S ATOM 892 CE MET A 59 14.356 0.025 5.265 1.00 0.00 C ATOM 0 H MET A 59 11.505 3.384 1.202 1.00 0.00 H new ATOM 0 HA MET A 59 11.026 3.715 3.355 1.00 0.00 H new ATOM 0 HB2 MET A 59 14.051 3.913 3.762 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.866 3.685 5.033 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.399 1.465 4.398 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.880 1.724 2.733 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.188 -0.677 5.323 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.158 0.435 6.255 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.468 -0.494 4.903 1.00 0.00 H new ATOM 902 N SER A 60 11.251 6.318 2.481 1.00 0.00 N ATOM 903 CA SER A 60 11.141 7.763 2.585 1.00 0.00 C ATOM 904 C SER A 60 9.781 8.144 3.173 1.00 0.00 C ATOM 905 O SER A 60 9.648 9.183 3.817 1.00 0.00 O ATOM 906 CB SER A 60 11.336 8.429 1.222 1.00 0.00 C ATOM 907 OG SER A 60 11.913 9.727 1.339 1.00 0.00 O ATOM 0 H SER A 60 10.723 5.904 1.713 1.00 0.00 H new ATOM 0 HA SER A 60 11.929 8.119 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.976 7.803 0.601 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.374 8.504 0.714 1.00 0.00 H new ATOM 0 HG SER A 60 12.023 10.118 0.447 1.00 0.00 H new ATOM 913 N LYS A 61 8.804 7.282 2.928 1.00 0.00 N ATOM 914 CA LYS A 61 7.459 7.515 3.425 1.00 0.00 C ATOM 915 C LYS A 61 6.911 8.807 2.816 1.00 0.00 C ATOM 916 O LYS A 61 6.079 9.479 3.422 1.00 0.00 O ATOM 917 CB LYS A 61 7.443 7.501 4.955 1.00 0.00 C ATOM 918 CG LYS A 61 8.121 6.242 5.499 1.00 0.00 C ATOM 919 CD LYS A 61 7.365 5.691 6.709 1.00 0.00 C ATOM 920 CE LYS A 61 7.725 4.225 6.960 1.00 0.00 C ATOM 921 NZ LYS A 61 7.133 3.756 8.233 1.00 0.00 N ATOM 0 H LYS A 61 8.918 6.422 2.392 1.00 0.00 H new ATOM 0 HA LYS A 61 6.794 6.709 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.953 8.386 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.414 7.547 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.167 5.483 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.149 6.471 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.603 6.284 7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.291 5.782 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.364 3.610 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.809 4.111 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.387 2.759 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.497 4.332 9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.098 3.846 8.189 1.00 0.00 H new ATOM 935 N ASN A 62 7.402 9.116 1.625 1.00 0.00 N ATOM 936 CA ASN A 62 6.972 10.316 0.927 1.00 0.00 C ATOM 937 C ASN A 62 5.720 10.002 0.105 1.00 0.00 C ATOM 938 O ASN A 62 5.671 8.994 -0.598 1.00 0.00 O ATOM 939 CB ASN A 62 8.055 10.812 -0.033 1.00 0.00 C ATOM 940 CG ASN A 62 7.560 12.010 -0.846 1.00 0.00 C ATOM 941 OD1 ASN A 62 7.930 12.213 -1.991 1.00 0.00 O ATOM 942 ND2 ASN A 62 6.705 12.791 -0.192 1.00 0.00 N ATOM 0 H ASN A 62 8.093 8.556 1.126 1.00 0.00 H new ATOM 0 HA ASN A 62 6.770 11.085 1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.945 11.093 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.346 10.006 -0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.318 13.617 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.437 12.564 0.766 1.00 0.00 H new ATOM 949 N GLU A 63 4.738 10.884 0.222 1.00 0.00 N ATOM 950 CA GLU A 63 3.490 10.714 -0.502 1.00 0.00 C ATOM 951 C GLU A 63 3.738 10.773 -2.010 1.00 0.00 C ATOM 952 O GLU A 63 2.897 10.342 -2.798 1.00 0.00 O ATOM 953 CB GLU A 63 2.461 11.763 -0.074 1.00 0.00 C ATOM 954 CG GLU A 63 1.061 11.153 0.015 1.00 0.00 C ATOM 955 CD GLU A 63 0.000 12.140 -0.478 1.00 0.00 C ATOM 956 OE1 GLU A 63 -0.054 13.248 0.098 1.00 0.00 O ATOM 957 OE2 GLU A 63 -0.732 11.764 -1.418 1.00 0.00 O ATOM 0 H GLU A 63 4.782 11.718 0.807 1.00 0.00 H new ATOM 0 HA GLU A 63 3.083 9.732 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.742 12.180 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.458 12.587 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.019 10.241 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.849 10.870 1.046 1.00 0.00 H new ATOM 964 N GLU A 64 4.896 11.309 -2.367 1.00 0.00 N ATOM 965 CA GLU A 64 5.265 11.429 -3.767 1.00 0.00 C ATOM 966 C GLU A 64 6.015 10.178 -4.228 1.00 0.00 C ATOM 967 O GLU A 64 6.038 9.866 -5.417 1.00 0.00 O ATOM 968 CB GLU A 64 6.100 12.689 -4.007 1.00 0.00 C ATOM 969 CG GLU A 64 5.813 13.748 -2.942 1.00 0.00 C ATOM 970 CD GLU A 64 5.157 14.984 -3.561 1.00 0.00 C ATOM 971 OE1 GLU A 64 5.887 15.731 -4.248 1.00 0.00 O ATOM 972 OE2 GLU A 64 3.940 15.155 -3.333 1.00 0.00 O ATOM 0 H GLU A 64 5.591 11.665 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 64 4.353 11.519 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.160 12.435 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.880 13.093 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.160 13.331 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.742 14.034 -2.448 1.00 0.00 H new ATOM 979 N ASP A 65 6.611 9.495 -3.261 1.00 0.00 N ATOM 980 CA ASP A 65 7.360 8.284 -3.553 1.00 0.00 C ATOM 981 C ASP A 65 6.384 7.135 -3.810 1.00 0.00 C ATOM 982 O ASP A 65 6.610 6.309 -4.693 1.00 0.00 O ATOM 983 CB ASP A 65 8.253 7.892 -2.374 1.00 0.00 C ATOM 984 CG ASP A 65 9.684 8.430 -2.439 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.009 9.054 -3.473 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.420 8.206 -1.455 1.00 0.00 O ATOM 0 H ASP A 65 6.590 9.757 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 65 7.981 8.474 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.789 8.246 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.292 6.804 -2.313 1.00 0.00 H new ATOM 991 N VAL A 66 5.319 7.118 -3.021 1.00 0.00 N ATOM 992 CA VAL A 66 4.307 6.083 -3.152 1.00 0.00 C ATOM 993 C VAL A 66 3.961 5.899 -4.631 1.00 0.00 C ATOM 994 O VAL A 66 3.492 6.831 -5.283 1.00 0.00 O ATOM 995 CB VAL A 66 3.090 6.430 -2.292 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.499 7.256 -1.071 1.00 0.00 C ATOM 997 CG2 VAL A 66 2.026 7.157 -3.115 1.00 0.00 C ATOM 0 H VAL A 66 5.135 7.804 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 66 4.686 5.129 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 66 2.656 5.496 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.615 7.489 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.203 6.686 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.970 8.182 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.172 7.392 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.444 8.080 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.702 6.518 -3.937 1.00 0.00 H new ATOM 1007 N SER A 67 4.205 4.691 -5.117 1.00 0.00 N ATOM 1008 CA SER A 67 3.925 4.373 -6.507 1.00 0.00 C ATOM 1009 C SER A 67 3.077 3.102 -6.592 1.00 0.00 C ATOM 1010 O SER A 67 3.460 2.059 -6.063 1.00 0.00 O ATOM 1011 CB SER A 67 5.219 4.202 -7.305 1.00 0.00 C ATOM 1012 OG SER A 67 5.916 3.012 -6.943 1.00 0.00 O ATOM 0 H SER A 67 4.594 3.921 -4.573 1.00 0.00 H new ATOM 0 HA SER A 67 3.369 5.203 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.988 4.177 -8.370 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.864 5.065 -7.139 1.00 0.00 H new ATOM 0 HG SER A 67 5.869 2.368 -7.680 1.00 0.00 H new ATOM 1018 N PRO A 68 1.912 3.233 -7.280 1.00 0.00 N ATOM 1019 CA PRO A 68 1.007 2.108 -7.441 1.00 0.00 C ATOM 1020 C PRO A 68 1.544 1.116 -8.474 1.00 0.00 C ATOM 1021 O PRO A 68 0.865 0.153 -8.827 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.321 2.726 -7.847 1.00 0.00 C ATOM 1023 CG PRO A 68 0.005 4.124 -8.349 1.00 0.00 C ATOM 1024 CD PRO A 68 1.426 4.452 -7.920 1.00 0.00 C ATOM 0 HA PRO A 68 0.897 1.523 -6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.805 2.135 -8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.008 2.765 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.087 4.171 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.696 4.851 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.045 4.724 -8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.446 5.296 -7.231 1.00 0.00 H new ATOM 1032 N SER A 69 2.759 1.385 -8.930 1.00 0.00 N ATOM 1033 CA SER A 69 3.396 0.527 -9.915 1.00 0.00 C ATOM 1034 C SER A 69 4.916 0.572 -9.744 1.00 0.00 C ATOM 1035 O SER A 69 5.477 1.620 -9.426 1.00 0.00 O ATOM 1036 CB SER A 69 3.009 0.940 -11.336 1.00 0.00 C ATOM 1037 OG SER A 69 4.106 1.513 -12.043 1.00 0.00 O ATOM 0 H SER A 69 3.319 2.185 -8.635 1.00 0.00 H new ATOM 0 HA SER A 69 3.049 -0.494 -9.755 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.643 0.069 -11.880 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.190 1.658 -11.295 1.00 0.00 H new ATOM 0 HG SER A 69 3.819 1.762 -12.946 1.00 0.00 H new ATOM 1043 N LEU A 70 5.538 -0.576 -9.963 1.00 0.00 N ATOM 1044 CA LEU A 70 6.982 -0.681 -9.837 1.00 0.00 C ATOM 1045 C LEU A 70 7.639 -0.188 -11.128 1.00 0.00 C ATOM 1046 O LEU A 70 8.498 -0.866 -11.690 1.00 0.00 O ATOM 1047 CB LEU A 70 7.384 -2.105 -9.447 1.00 0.00 C ATOM 1048 CG LEU A 70 6.524 -3.228 -10.030 1.00 0.00 C ATOM 1049 CD1 LEU A 70 7.346 -4.504 -10.224 1.00 0.00 C ATOM 1050 CD2 LEU A 70 5.283 -3.471 -9.168 1.00 0.00 C ATOM 0 H LEU A 70 5.069 -1.442 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 70 7.342 -0.041 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.417 -2.267 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.360 -2.183 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 70 6.176 -2.916 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.711 -5.286 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.171 -4.305 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.743 -4.831 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.689 -4.274 -9.604 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.589 -3.752 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.686 -2.560 -9.125 1.00 0.00 H new ATOM 1062 N GLU A 71 7.210 0.988 -11.561 1.00 0.00 N ATOM 1063 CA GLU A 71 7.746 1.579 -12.776 1.00 0.00 C ATOM 1064 C GLU A 71 8.932 2.487 -12.445 1.00 0.00 C ATOM 1065 O GLU A 71 9.001 3.621 -12.916 1.00 0.00 O ATOM 1066 CB GLU A 71 6.663 2.348 -13.535 1.00 0.00 C ATOM 1067 CG GLU A 71 6.164 3.542 -12.720 1.00 0.00 C ATOM 1068 CD GLU A 71 5.463 4.565 -13.617 1.00 0.00 C ATOM 1069 OE1 GLU A 71 4.862 4.122 -14.620 1.00 0.00 O ATOM 1070 OE2 GLU A 71 5.545 5.766 -13.280 1.00 0.00 O ATOM 0 H GLU A 71 6.498 1.548 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 71 8.097 0.776 -13.424 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.060 2.695 -14.489 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.829 1.683 -13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.475 3.198 -11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.003 4.015 -12.210 1.00 0.00 H new ATOM 1077 N GLY A 72 9.837 1.953 -11.638 1.00 0.00 N ATOM 1078 CA GLY A 72 11.018 2.701 -11.239 1.00 0.00 C ATOM 1079 C GLY A 72 11.692 2.055 -10.027 1.00 0.00 C ATOM 1080 O GLY A 72 12.884 2.252 -9.797 1.00 0.00 O ATOM 0 H GLY A 72 9.777 1.012 -11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.722 2.746 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.739 3.728 -11.001 1.00 0.00 H new ATOM 1084 N LEU A 73 10.900 1.297 -9.283 1.00 0.00 N ATOM 1085 CA LEU A 73 11.405 0.620 -8.101 1.00 0.00 C ATOM 1086 C LEU A 73 12.839 0.152 -8.360 1.00 0.00 C ATOM 1087 O LEU A 73 13.054 -0.878 -8.996 1.00 0.00 O ATOM 1088 CB LEU A 73 10.457 -0.505 -7.680 1.00 0.00 C ATOM 1089 CG LEU A 73 9.413 -0.142 -6.623 1.00 0.00 C ATOM 1090 CD1 LEU A 73 10.021 -0.170 -5.219 1.00 0.00 C ATOM 1091 CD2 LEU A 73 8.759 1.205 -6.937 1.00 0.00 C ATOM 0 H LEU A 73 9.911 1.137 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 73 11.441 1.307 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.937 -0.866 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.055 -1.334 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 73 8.626 -0.896 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.257 0.092 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.400 -1.170 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.839 0.548 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.021 1.439 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.521 1.984 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.268 1.153 -7.909 1.00 0.00 H new ATOM 1103 N THR A 74 13.782 0.932 -7.853 1.00 0.00 N ATOM 1104 CA THR A 74 15.189 0.610 -8.022 1.00 0.00 C ATOM 1105 C THR A 74 15.540 -0.666 -7.255 1.00 0.00 C ATOM 1106 O THR A 74 14.657 -1.337 -6.723 1.00 0.00 O ATOM 1107 CB THR A 74 16.008 1.826 -7.583 1.00 0.00 C ATOM 1108 OG1 THR A 74 15.888 1.832 -6.163 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.371 3.148 -8.017 1.00 0.00 C ATOM 0 H THR A 74 13.600 1.786 -7.325 1.00 0.00 H new ATOM 0 HA THR A 74 15.424 0.400 -9.066 1.00 0.00 H new ATOM 0 HB THR A 74 17.014 1.755 -7.997 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.604 2.721 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.992 3.979 -7.681 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.289 3.173 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.378 3.235 -7.576 1.00 0.00 H new ATOM 1117 N GLU A 75 16.831 -0.964 -7.223 1.00 0.00 N ATOM 1118 CA GLU A 75 17.309 -2.148 -6.531 1.00 0.00 C ATOM 1119 C GLU A 75 17.160 -1.975 -5.018 1.00 0.00 C ATOM 1120 O GLU A 75 16.736 -2.897 -4.323 1.00 0.00 O ATOM 1121 CB GLU A 75 18.759 -2.456 -6.908 1.00 0.00 C ATOM 1122 CG GLU A 75 18.850 -3.732 -7.746 1.00 0.00 C ATOM 1123 CD GLU A 75 20.035 -4.594 -7.307 1.00 0.00 C ATOM 1124 OE1 GLU A 75 21.150 -4.032 -7.238 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.800 -5.794 -7.050 1.00 0.00 O ATOM 0 H GLU A 75 17.561 -0.405 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 75 16.700 -2.997 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.178 -1.619 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.357 -2.567 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.926 -4.302 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.955 -3.473 -8.799 1.00 0.00 H new ATOM 1132 N LYS A 76 17.517 -0.787 -4.553 1.00 0.00 N ATOM 1133 CA LYS A 76 17.429 -0.482 -3.135 1.00 0.00 C ATOM 1134 C LYS A 76 16.019 -0.803 -2.635 1.00 0.00 C ATOM 1135 O LYS A 76 15.854 -1.506 -1.640 1.00 0.00 O ATOM 1136 CB LYS A 76 17.862 0.962 -2.870 1.00 0.00 C ATOM 1137 CG LYS A 76 16.673 1.919 -2.978 1.00 0.00 C ATOM 1138 CD LYS A 76 17.031 3.302 -2.430 1.00 0.00 C ATOM 1139 CE LYS A 76 17.618 4.191 -3.528 1.00 0.00 C ATOM 1140 NZ LYS A 76 17.872 5.554 -3.010 1.00 0.00 N ATOM 0 H LYS A 76 17.868 -0.024 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 76 18.119 -1.107 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.304 1.036 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.633 1.251 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.365 2.005 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.824 1.514 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.141 3.773 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.749 3.200 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.547 3.757 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.930 4.239 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.270 6.145 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.979 5.971 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.546 5.505 -2.219 1.00 0.00 H new ATOM 1154 N GLU A 77 15.037 -0.271 -3.349 1.00 0.00 N ATOM 1155 CA GLU A 77 13.647 -0.492 -2.991 1.00 0.00 C ATOM 1156 C GLU A 77 13.213 -1.903 -3.392 1.00 0.00 C ATOM 1157 O GLU A 77 12.481 -2.564 -2.656 1.00 0.00 O ATOM 1158 CB GLU A 77 12.741 0.563 -3.631 1.00 0.00 C ATOM 1159 CG GLU A 77 13.155 0.834 -5.078 1.00 0.00 C ATOM 1160 CD GLU A 77 13.559 2.298 -5.268 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.429 2.751 -4.493 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.989 2.930 -6.183 1.00 0.00 O ATOM 0 H GLU A 77 15.177 0.313 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 77 13.552 -0.397 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.705 0.224 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.790 1.487 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.988 0.185 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.330 0.591 -5.748 1.00 0.00 H new ATOM 1169 N ILE A 78 13.683 -2.324 -4.557 1.00 0.00 N ATOM 1170 CA ILE A 78 13.353 -3.644 -5.064 1.00 0.00 C ATOM 1171 C ILE A 78 13.668 -4.691 -3.993 1.00 0.00 C ATOM 1172 O ILE A 78 13.036 -5.745 -3.945 1.00 0.00 O ATOM 1173 CB ILE A 78 14.059 -3.898 -6.398 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.256 -3.314 -7.562 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.347 -5.388 -6.591 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.577 -4.421 -8.371 1.00 0.00 C ATOM 0 H ILE A 78 14.290 -1.773 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 78 12.286 -3.714 -5.276 1.00 0.00 H new ATOM 0 HB ILE A 78 15.020 -3.384 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.503 -2.625 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.916 -2.738 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.849 -5.541 -7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.988 -5.742 -5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.410 -5.944 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.013 -3.978 -9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.334 -5.095 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.900 -4.980 -7.726 1.00 0.00 H new ATOM 1188 N ASN A 79 14.646 -4.364 -3.161 1.00 0.00 N ATOM 1189 CA ASN A 79 15.052 -5.262 -2.094 1.00 0.00 C ATOM 1190 C ASN A 79 14.260 -4.934 -0.827 1.00 0.00 C ATOM 1191 O ASN A 79 13.805 -5.835 -0.124 1.00 0.00 O ATOM 1192 CB ASN A 79 16.540 -5.101 -1.776 1.00 0.00 C ATOM 1193 CG ASN A 79 17.401 -5.891 -2.764 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.305 -7.102 -2.881 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.245 -5.141 -3.466 1.00 0.00 N ATOM 0 H ASN A 79 15.169 -3.489 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 79 14.861 -6.284 -2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.812 -4.046 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.738 -5.444 -0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.863 -5.574 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.274 -4.132 -3.319 1.00 0.00 H new ATOM 1202 N THR A 80 14.118 -3.641 -0.574 1.00 0.00 N ATOM 1203 CA THR A 80 13.388 -3.183 0.596 1.00 0.00 C ATOM 1204 C THR A 80 11.883 -3.355 0.386 1.00 0.00 C ATOM 1205 O THR A 80 11.172 -3.790 1.291 1.00 0.00 O ATOM 1206 CB THR A 80 13.802 -1.737 0.874 1.00 0.00 C ATOM 1207 OG1 THR A 80 15.158 -1.839 1.299 1.00 0.00 O ATOM 1208 CG2 THR A 80 13.077 -1.143 2.084 1.00 0.00 C ATOM 0 H THR A 80 14.496 -2.896 -1.159 1.00 0.00 H new ATOM 0 HA THR A 80 13.632 -3.781 1.474 1.00 0.00 H new ATOM 0 HB THR A 80 13.601 -1.127 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.749 -1.800 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.407 -0.116 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.002 -1.156 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.305 -1.734 2.971 1.00 0.00 H new ATOM 1216 N LEU A 81 11.441 -3.004 -0.813 1.00 0.00 N ATOM 1217 CA LEU A 81 10.032 -3.114 -1.153 1.00 0.00 C ATOM 1218 C LEU A 81 9.603 -4.580 -1.061 1.00 0.00 C ATOM 1219 O LEU A 81 8.612 -4.900 -0.406 1.00 0.00 O ATOM 1220 CB LEU A 81 9.759 -2.478 -2.517 1.00 0.00 C ATOM 1221 CG LEU A 81 8.407 -2.808 -3.153 1.00 0.00 C ATOM 1222 CD1 LEU A 81 7.397 -1.685 -2.906 1.00 0.00 C ATOM 1223 CD2 LEU A 81 8.563 -3.121 -4.642 1.00 0.00 C ATOM 0 H LEU A 81 12.033 -2.643 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 81 9.423 -2.558 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.834 -1.396 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.547 -2.788 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 81 8.015 -3.706 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.444 -1.944 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.256 -1.552 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.771 -0.758 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.587 -3.352 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.988 -2.257 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.226 -3.978 -4.766 1.00 0.00 H new ATOM 1235 N ASN A 82 10.370 -5.431 -1.727 1.00 0.00 N ATOM 1236 CA ASN A 82 10.081 -6.855 -1.728 1.00 0.00 C ATOM 1237 C ASN A 82 9.802 -7.316 -0.296 1.00 0.00 C ATOM 1238 O ASN A 82 8.718 -7.816 -0.001 1.00 0.00 O ATOM 1239 CB ASN A 82 11.270 -7.657 -2.260 1.00 0.00 C ATOM 1240 CG ASN A 82 10.835 -8.603 -3.382 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.063 -9.527 -3.186 1.00 0.00 O ATOM 1242 ND2 ASN A 82 11.373 -8.321 -4.566 1.00 0.00 N ATOM 0 H ASN A 82 11.191 -5.162 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 82 9.216 -7.023 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.036 -6.976 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.718 -8.231 -1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.146 -8.894 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.013 -7.532 -4.661 1.00 0.00 H new ATOM 1249 N ASP A 83 10.800 -7.130 0.556 1.00 0.00 N ATOM 1250 CA ASP A 83 10.675 -7.521 1.950 1.00 0.00 C ATOM 1251 C ASP A 83 9.475 -6.804 2.571 1.00 0.00 C ATOM 1252 O ASP A 83 8.758 -7.381 3.387 1.00 0.00 O ATOM 1253 CB ASP A 83 11.923 -7.129 2.745 1.00 0.00 C ATOM 1254 CG ASP A 83 12.479 -8.225 3.657 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.773 -9.244 3.814 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.597 -8.018 4.176 1.00 0.00 O ATOM 0 H ASP A 83 11.698 -6.714 0.308 1.00 0.00 H new ATOM 0 HA ASP A 83 10.548 -8.603 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.703 -6.830 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.689 -6.255 3.353 1.00 0.00 H new ATOM 1261 N TRP A 84 9.293 -5.558 2.160 1.00 0.00 N ATOM 1262 CA TRP A 84 8.191 -4.757 2.666 1.00 0.00 C ATOM 1263 C TRP A 84 6.886 -5.479 2.326 1.00 0.00 C ATOM 1264 O TRP A 84 5.985 -5.566 3.159 1.00 0.00 O ATOM 1265 CB TRP A 84 8.248 -3.333 2.110 1.00 0.00 C ATOM 1266 CG TRP A 84 8.879 -2.317 3.064 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.804 -1.387 2.786 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.591 -2.164 4.470 1.00 0.00 C ATOM 1269 NE1 TRP A 84 10.132 -0.650 3.905 1.00 0.00 N ATOM 1270 CE2 TRP A 84 9.371 -1.137 4.962 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.702 -2.870 5.299 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 9.340 -0.724 6.299 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 7.683 -2.445 6.632 1.00 0.00 C ATOM 1274 CH2 TRP A 84 8.461 -1.414 7.143 1.00 0.00 C ATOM 0 H TRP A 84 9.890 -5.083 1.483 1.00 0.00 H new ATOM 0 HA TRP A 84 8.258 -4.650 3.749 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.813 -3.340 1.178 1.00 0.00 H new ATOM 0 HB3 TRP A 84 7.236 -3.008 1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.238 -1.234 1.809 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.808 0.112 3.949 1.00 0.00 H new ATOM 0 HE3 TRP A 84 7.083 -3.677 4.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.960 0.083 6.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 7.016 -2.955 7.312 1.00 0.00 H new ATOM 0 HH2 TRP A 84 8.388 -1.146 8.187 1.00 0.00 H new ATOM 1285 N GLU A 85 6.826 -5.980 1.101 1.00 0.00 N ATOM 1286 CA GLU A 85 5.646 -6.692 0.641 1.00 0.00 C ATOM 1287 C GLU A 85 5.422 -7.949 1.485 1.00 0.00 C ATOM 1288 O GLU A 85 4.321 -8.178 1.984 1.00 0.00 O ATOM 1289 CB GLU A 85 5.761 -7.042 -0.844 1.00 0.00 C ATOM 1290 CG GLU A 85 5.021 -8.344 -1.160 1.00 0.00 C ATOM 1291 CD GLU A 85 5.998 -9.515 -1.279 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.099 -9.396 -0.699 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.622 -10.502 -1.946 1.00 0.00 O ATOM 0 H GLU A 85 7.575 -5.907 0.413 1.00 0.00 H new ATOM 0 HA GLU A 85 4.782 -6.039 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.350 -6.231 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.811 -7.141 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.293 -8.552 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.465 -8.234 -2.091 1.00 0.00 H new ATOM 1300 N THR A 86 6.483 -8.731 1.618 1.00 0.00 N ATOM 1301 CA THR A 86 6.416 -9.958 2.392 1.00 0.00 C ATOM 1302 C THR A 86 6.010 -9.656 3.836 1.00 0.00 C ATOM 1303 O THR A 86 5.366 -10.477 4.488 1.00 0.00 O ATOM 1304 CB THR A 86 7.769 -10.664 2.277 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.728 -11.284 0.994 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.903 -11.835 3.253 1.00 0.00 C ATOM 0 H THR A 86 7.394 -8.538 1.202 1.00 0.00 H new ATOM 0 HA THR A 86 5.649 -10.628 2.005 1.00 0.00 H new ATOM 0 HB THR A 86 8.570 -9.947 2.459 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.636 -10.597 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.881 -12.301 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.801 -11.470 4.275 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.123 -12.569 3.050 1.00 0.00 H new ATOM 1314 N LYS A 87 6.403 -8.476 4.293 1.00 0.00 N ATOM 1315 CA LYS A 87 6.087 -8.056 5.648 1.00 0.00 C ATOM 1316 C LYS A 87 4.613 -7.653 5.722 1.00 0.00 C ATOM 1317 O LYS A 87 3.921 -7.992 6.680 1.00 0.00 O ATOM 1318 CB LYS A 87 7.049 -6.957 6.106 1.00 0.00 C ATOM 1319 CG LYS A 87 8.486 -7.477 6.166 1.00 0.00 C ATOM 1320 CD LYS A 87 9.490 -6.337 5.981 1.00 0.00 C ATOM 1321 CE LYS A 87 10.645 -6.457 6.977 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.165 -6.225 8.358 1.00 0.00 N ATOM 0 H LYS A 87 6.937 -7.798 3.750 1.00 0.00 H new ATOM 0 HA LYS A 87 6.227 -8.882 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.993 -6.111 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.749 -6.592 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.659 -7.967 7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.637 -8.229 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.880 -6.352 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.987 -5.379 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.095 -7.447 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.423 -5.734 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.950 -5.876 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.401 -5.519 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.806 -7.117 8.755 1.00 0.00 H new ATOM 1336 N PHE A 88 4.177 -6.935 4.697 1.00 0.00 N ATOM 1337 CA PHE A 88 2.797 -6.483 4.634 1.00 0.00 C ATOM 1338 C PHE A 88 1.873 -7.605 4.159 1.00 0.00 C ATOM 1339 O PHE A 88 0.786 -7.792 4.704 1.00 0.00 O ATOM 1340 CB PHE A 88 2.749 -5.336 3.623 1.00 0.00 C ATOM 1341 CG PHE A 88 2.619 -3.950 4.259 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.493 -3.561 5.226 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.630 -3.108 3.858 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.372 -2.276 5.817 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.509 -1.822 4.449 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.383 -1.433 5.416 1.00 0.00 C ATOM 0 H PHE A 88 4.754 -6.655 3.904 1.00 0.00 H new ATOM 0 HA PHE A 88 2.463 -6.169 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.654 -5.362 3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.908 -5.495 2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.279 -4.230 5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.936 -3.417 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.066 -1.968 6.585 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.723 -1.153 4.131 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.292 -0.455 5.865 1.00 0.00 H new ATOM 1356 N GLU A 89 2.339 -8.324 3.148 1.00 0.00 N ATOM 1357 CA GLU A 89 1.568 -9.423 2.593 1.00 0.00 C ATOM 1358 C GLU A 89 1.468 -10.566 3.605 1.00 0.00 C ATOM 1359 O GLU A 89 0.444 -11.242 3.685 1.00 0.00 O ATOM 1360 CB GLU A 89 2.175 -9.909 1.275 1.00 0.00 C ATOM 1361 CG GLU A 89 2.028 -11.424 1.129 1.00 0.00 C ATOM 1362 CD GLU A 89 3.163 -12.157 1.848 1.00 0.00 C ATOM 1363 OE1 GLU A 89 4.290 -12.125 1.309 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.877 -12.733 2.920 1.00 0.00 O ATOM 0 H GLU A 89 3.241 -8.167 2.699 1.00 0.00 H new ATOM 0 HA GLU A 89 0.561 -9.063 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.685 -9.410 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.230 -9.637 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.069 -11.741 1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.028 -11.693 0.073 1.00 0.00 H new ATOM 1371 N ALA A 90 2.547 -10.748 4.352 1.00 0.00 N ATOM 1372 CA ALA A 90 2.595 -11.797 5.356 1.00 0.00 C ATOM 1373 C ALA A 90 2.118 -11.236 6.697 1.00 0.00 C ATOM 1374 O ALA A 90 2.572 -11.674 7.753 1.00 0.00 O ATOM 1375 CB ALA A 90 4.013 -12.366 5.433 1.00 0.00 C ATOM 0 H ALA A 90 3.395 -10.186 4.282 1.00 0.00 H new ATOM 0 HA ALA A 90 1.929 -12.617 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.049 -13.153 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.293 -12.779 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.709 -11.572 5.704 1.00 0.00 H new ATOM 1381 N LYS A 91 1.209 -10.277 6.611 1.00 0.00 N ATOM 1382 CA LYS A 91 0.665 -9.652 7.805 1.00 0.00 C ATOM 1383 C LYS A 91 -0.739 -9.125 7.505 1.00 0.00 C ATOM 1384 O LYS A 91 -1.688 -9.434 8.224 1.00 0.00 O ATOM 1385 CB LYS A 91 1.624 -8.582 8.333 1.00 0.00 C ATOM 1386 CG LYS A 91 2.805 -9.219 9.067 1.00 0.00 C ATOM 1387 CD LYS A 91 3.215 -8.379 10.279 1.00 0.00 C ATOM 1388 CE LYS A 91 4.572 -8.828 10.824 1.00 0.00 C ATOM 1389 NZ LYS A 91 5.466 -7.664 11.012 1.00 0.00 N ATOM 0 H LYS A 91 0.835 -9.917 5.733 1.00 0.00 H new ATOM 0 HA LYS A 91 0.566 -10.383 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.990 -7.976 7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.091 -7.911 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.537 -10.225 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.650 -9.318 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.262 -7.327 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.459 -8.467 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.436 -9.346 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.030 -9.538 10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.383 -7.987 11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.610 -7.186 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.034 -7.000 11.686 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.828 -8.339 6.442 1.00 0.00 N ATOM 1404 CA TYR A 92 -2.101 -7.766 6.039 1.00 0.00 C ATOM 1405 C TYR A 92 -2.819 -8.675 5.040 1.00 0.00 C ATOM 1406 O TYR A 92 -2.185 -9.272 4.171 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.768 -6.439 5.355 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.294 -5.346 6.314 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.930 -5.167 7.526 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.229 -4.539 5.969 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.483 -4.138 8.429 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.218 -3.510 6.872 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.431 -3.361 8.058 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.009 -2.389 8.911 1.00 0.00 O ATOM 0 H TYR A 92 -0.039 -8.085 5.847 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.755 -7.639 6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.994 -6.612 4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.651 -6.084 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.763 -5.799 7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.270 -4.679 5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.973 -3.987 9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.050 -2.871 6.613 1.00 0.00 H new ATOM 0 HH TYR A 92 0.751 -1.914 8.515 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.167 -8.755 5.201 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.978 -9.581 4.323 1.00 0.00 C ATOM 1426 C PRO A 93 -5.146 -8.924 2.951 1.00 0.00 C ATOM 1427 O PRO A 93 -5.432 -7.731 2.862 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.295 -9.763 5.060 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.346 -8.657 6.101 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.952 -8.063 6.219 1.00 0.00 C ATOM 0 HA PRO A 93 -4.518 -10.546 4.111 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.139 -9.693 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.347 -10.745 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.064 -7.891 5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.675 -9.052 7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.964 -6.987 6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.537 -8.221 7.214 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.961 -9.732 1.917 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.088 -9.243 0.555 1.00 0.00 C ATOM 1440 C VAL A 94 -6.536 -9.415 0.089 1.00 0.00 C ATOM 1441 O VAL A 94 -6.994 -10.536 -0.126 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.081 -9.954 -0.352 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.198 -9.458 -1.795 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.654 -9.782 0.173 1.00 0.00 C ATOM 0 H VAL A 94 -4.724 -10.721 1.995 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.855 -8.179 0.508 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.315 -11.019 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.472 -9.979 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.203 -9.655 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.002 -8.386 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.958 -10.297 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.405 -8.721 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.581 -10.205 1.175 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.216 -8.286 -0.052 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.602 -8.297 -0.488 1.00 0.00 C ATOM 1456 C VAL A 95 -8.653 -8.202 -2.014 1.00 0.00 C ATOM 1457 O VAL A 95 -9.703 -8.414 -2.618 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.378 -7.177 0.208 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.318 -7.331 1.729 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.863 -5.803 -0.225 1.00 0.00 C ATOM 0 H VAL A 95 -6.833 -7.358 0.128 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.084 -9.233 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.422 -7.254 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.877 -6.522 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.754 -8.288 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.280 -7.293 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.431 -5.024 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.808 -5.711 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.982 -5.693 -1.303 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.505 -7.883 -2.594 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.406 -7.758 -4.038 1.00 0.00 C ATOM 1472 C GLY A 96 -6.044 -7.193 -4.446 1.00 0.00 C ATOM 1473 O GLY A 96 -5.197 -6.926 -3.595 1.00 0.00 O ATOM 0 H GLY A 96 -6.636 -7.707 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.553 -8.733 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.199 -7.107 -4.406 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.875 -7.027 -5.750 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.630 -6.499 -6.282 1.00 0.00 C ATOM 1479 C ARG A 97 -4.904 -5.269 -7.151 1.00 0.00 C ATOM 1480 O ARG A 97 -5.781 -5.296 -8.012 1.00 0.00 O ATOM 1481 CB ARG A 97 -3.897 -7.551 -7.117 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.224 -7.397 -8.603 1.00 0.00 C ATOM 1483 CD ARG A 97 -5.678 -7.779 -8.888 1.00 0.00 C ATOM 1484 NE ARG A 97 -5.737 -8.757 -9.997 1.00 0.00 N ATOM 1485 CZ ARG A 97 -5.394 -10.047 -9.880 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -4.966 -10.523 -8.703 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -5.479 -10.862 -10.941 1.00 0.00 N ATOM 0 H ARG A 97 -6.579 -7.249 -6.454 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.001 -6.219 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.822 -7.456 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.179 -8.549 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.048 -6.367 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.557 -8.026 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.133 -8.204 -7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.252 -6.889 -9.146 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.059 -8.429 -10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.901 -9.903 -7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.705 -11.505 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.805 -10.500 -11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.218 -11.844 -10.852 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.136 -4.220 -6.894 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.284 -2.983 -7.642 1.00 0.00 C ATOM 1503 C VAL A 98 -4.267 -3.293 -9.140 1.00 0.00 C ATOM 1504 O VAL A 98 -3.633 -4.254 -9.572 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.201 -1.987 -7.224 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.102 -0.834 -8.226 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.453 -1.463 -5.809 1.00 0.00 C ATOM 0 H VAL A 98 -3.409 -4.201 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.242 -2.513 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.246 -2.512 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.325 -0.140 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.853 -1.228 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.057 -0.312 -8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.668 -0.757 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.420 -0.962 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.450 -2.296 -5.107 1.00 0.00 H new ATOM 1517 N VAL A 99 -4.972 -2.460 -9.892 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.046 -2.633 -11.332 1.00 0.00 C ATOM 1519 C VAL A 99 -4.867 -1.275 -12.014 1.00 0.00 C ATOM 1520 O VAL A 99 -3.957 -1.097 -12.822 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.358 -3.323 -11.710 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.144 -4.821 -11.936 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.433 -3.076 -10.650 1.00 0.00 C ATOM 0 H VAL A 99 -5.497 -1.664 -9.530 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.242 -3.281 -11.680 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.707 -2.889 -12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.092 -5.288 -12.203 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.427 -4.968 -12.743 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.761 -5.276 -11.023 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.355 -3.577 -10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.095 -3.469 -9.691 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.615 -2.005 -10.559 1.00 0.00 H new ATOM 1533 N SER A 100 -5.751 -0.351 -11.664 1.00 0.00 N ATOM 1534 CA SER A 100 -5.702 0.985 -12.232 1.00 0.00 C ATOM 1535 C SER A 100 -5.649 0.903 -13.759 1.00 0.00 C ATOM 1536 O SER A 100 -5.730 1.923 -14.442 1.00 0.00 O ATOM 1537 CB SER A 100 -4.498 1.766 -11.700 1.00 0.00 C ATOM 1538 OG SER A 100 -4.457 3.096 -12.210 1.00 0.00 O ATOM 0 H SER A 100 -6.505 -0.502 -10.994 1.00 0.00 H new ATOM 0 HA SER A 100 -6.606 1.516 -11.934 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.538 1.796 -10.611 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.580 1.245 -11.971 1.00 0.00 H new ATOM 0 HG SER A 100 -4.833 3.111 -13.115 1.00 0.00 H new