USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 602 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 MET CE :methyl -158:sc= -0.18 (180deg=-0.807) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -67:sc= -3.77! USER MOD Single : A 9 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.4!) USER MOD Single : A 18 ASN : amide:sc= 0.307 K(o=0.31,f=-11!) USER MOD Single : A 20 SER OG : rot 15:sc= 0.0242 USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= -0.433 (180deg=-1.99!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -49:sc= 0.622 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 84:sc= 0.00728 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.15) USER MOD Single : A 38 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 39 MET CE :methyl 148:sc= -0.162 (180deg=-0.786) USER MOD Single : A 46 THR OG1 : rot -67:sc= 0.283 USER MOD Single : A 48 SER OG : rot -143:sc= 1.22 USER MOD Single : A 56 THR OG1 : rot -55:sc= 0.85 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0.658 (180deg=0.634) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -16:sc= -0.791 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.24) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= -0.226! (180deg=-0.382) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0306 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.945 -21.587 -5.931 1.00 0.00 N ATOM 2 CA MET A 1 -8.709 -20.871 -5.548 1.00 0.00 C ATOM 3 C MET A 1 -8.999 -19.396 -5.301 1.00 0.00 C ATOM 4 O MET A 1 -9.082 -18.603 -6.237 1.00 0.00 O ATOM 5 CB MET A 1 -7.645 -21.022 -6.639 1.00 0.00 C ATOM 6 CG MET A 1 -6.301 -20.411 -6.271 1.00 0.00 C ATOM 7 SD MET A 1 -5.063 -20.614 -7.571 1.00 0.00 S ATOM 8 CE MET A 1 -4.999 -22.401 -7.704 1.00 0.00 C ATOM 0 H1 MET A 1 -9.728 -22.591 -6.095 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.645 -21.505 -5.166 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.332 -21.170 -6.801 1.00 0.00 H new ATOM 0 HA MET A 1 -8.331 -21.311 -4.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.506 -22.081 -6.854 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.008 -20.556 -7.555 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.434 -19.349 -6.064 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.936 -20.871 -5.353 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.050 -22.699 -8.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.089 -22.843 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.819 -22.749 -8.332 1.00 0.00 H new ATOM 20 N SER A 2 -9.175 -19.038 -4.040 1.00 0.00 N ATOM 21 CA SER A 2 -9.410 -17.654 -3.667 1.00 0.00 C ATOM 22 C SER A 2 -8.121 -17.022 -3.162 1.00 0.00 C ATOM 23 O SER A 2 -7.478 -17.544 -2.252 1.00 0.00 O ATOM 24 CB SER A 2 -10.493 -17.572 -2.597 1.00 0.00 C ATOM 25 OG SER A 2 -11.694 -18.176 -3.050 1.00 0.00 O ATOM 0 H SER A 2 -9.159 -19.689 -3.255 1.00 0.00 H new ATOM 0 HA SER A 2 -9.748 -17.106 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.151 -18.068 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.679 -16.529 -2.340 1.00 0.00 H new ATOM 0 HG SER A 2 -12.376 -18.115 -2.349 1.00 0.00 H new ATOM 31 N ILE A 3 -7.754 -15.894 -3.745 1.00 0.00 N ATOM 32 CA ILE A 3 -6.480 -15.264 -3.446 1.00 0.00 C ATOM 33 C ILE A 3 -6.684 -13.962 -2.679 1.00 0.00 C ATOM 34 O ILE A 3 -6.246 -12.894 -3.102 1.00 0.00 O ATOM 35 CB ILE A 3 -5.666 -15.015 -4.737 1.00 0.00 C ATOM 36 CG1 ILE A 3 -6.473 -14.189 -5.747 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.252 -16.348 -5.348 1.00 0.00 C ATOM 38 CD1 ILE A 3 -5.711 -13.849 -7.009 1.00 0.00 C ATOM 0 H ILE A 3 -8.322 -15.395 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.911 -15.946 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.773 -14.446 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.374 -14.741 -6.016 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.796 -13.264 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.679 -16.169 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.639 -16.900 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.142 -16.930 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.348 -13.264 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.824 -13.269 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.411 -14.768 -7.512 1.00 0.00 H new ATOM 50 N GLU A 4 -7.377 -14.072 -1.554 1.00 0.00 N ATOM 51 CA GLU A 4 -7.619 -12.932 -0.678 1.00 0.00 C ATOM 52 C GLU A 4 -6.317 -12.251 -0.279 1.00 0.00 C ATOM 53 O GLU A 4 -5.421 -12.871 0.299 1.00 0.00 O ATOM 54 CB GLU A 4 -8.376 -13.368 0.573 1.00 0.00 C ATOM 55 CG GLU A 4 -9.843 -13.663 0.325 1.00 0.00 C ATOM 56 CD GLU A 4 -10.535 -14.222 1.552 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.611 -13.509 2.573 1.00 0.00 O ATOM 58 OE2 GLU A 4 -11.002 -15.381 1.507 1.00 0.00 O ATOM 0 H GLU A 4 -7.785 -14.947 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.225 -12.216 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.900 -14.258 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.294 -12.586 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.347 -12.749 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.934 -14.374 -0.496 1.00 0.00 H new ATOM 65 N VAL A 5 -6.223 -10.974 -0.596 1.00 0.00 N ATOM 66 CA VAL A 5 -5.034 -10.197 -0.283 1.00 0.00 C ATOM 67 C VAL A 5 -5.310 -9.272 0.893 1.00 0.00 C ATOM 68 O VAL A 5 -6.252 -8.478 0.858 1.00 0.00 O ATOM 69 CB VAL A 5 -4.565 -9.348 -1.485 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.155 -8.830 -1.250 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.633 -10.142 -2.779 1.00 0.00 C ATOM 0 H VAL A 5 -6.957 -10.449 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.244 -10.905 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.239 -8.497 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.839 -8.234 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.139 -8.213 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.474 -9.672 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.297 -9.518 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.991 -11.019 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.660 -10.459 -2.958 1.00 0.00 H new ATOM 81 N ARG A 6 -4.504 -9.383 1.939 1.00 0.00 N ATOM 82 CA ARG A 6 -4.672 -8.539 3.117 1.00 0.00 C ATOM 83 C ARG A 6 -3.335 -7.932 3.507 1.00 0.00 C ATOM 84 O ARG A 6 -2.283 -8.461 3.150 1.00 0.00 O ATOM 85 CB ARG A 6 -5.241 -9.320 4.314 1.00 0.00 C ATOM 86 CG ARG A 6 -6.336 -10.315 3.966 1.00 0.00 C ATOM 87 CD ARG A 6 -5.754 -11.693 3.697 1.00 0.00 C ATOM 88 NE ARG A 6 -6.766 -12.741 3.772 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.542 -14.020 3.475 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.368 -14.401 2.983 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.504 -14.918 3.649 1.00 0.00 N ATOM 0 H ARG A 6 -3.730 -10.045 1.998 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.385 -7.756 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.426 -9.855 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.634 -8.608 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.053 -10.373 4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.881 -9.969 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.293 -11.705 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.964 -11.900 4.419 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.705 -12.478 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.631 -13.712 2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.204 -15.382 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.413 -14.628 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.334 -15.898 3.422 1.00 0.00 H new ATOM 105 N ASP A 7 -3.384 -6.838 4.252 1.00 0.00 N ATOM 106 CA ASP A 7 -2.177 -6.151 4.702 1.00 0.00 C ATOM 107 C ASP A 7 -1.585 -6.860 5.919 1.00 0.00 C ATOM 108 O ASP A 7 -2.005 -7.965 6.269 1.00 0.00 O ATOM 109 CB ASP A 7 -2.496 -4.684 5.031 1.00 0.00 C ATOM 110 CG ASP A 7 -3.414 -4.513 6.231 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.140 -5.463 6.582 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.404 -3.424 6.839 1.00 0.00 O ATOM 0 H ASP A 7 -4.253 -6.402 4.561 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.439 -6.174 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.563 -4.152 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.959 -4.218 4.161 1.00 0.00 H new ATOM 117 N CYS A 8 -0.608 -6.228 6.561 1.00 0.00 N ATOM 118 CA CYS A 8 0.033 -6.807 7.740 1.00 0.00 C ATOM 119 C CYS A 8 -0.948 -6.872 8.910 1.00 0.00 C ATOM 120 O CYS A 8 -0.751 -7.624 9.868 1.00 0.00 O ATOM 121 CB CYS A 8 1.255 -5.980 8.133 1.00 0.00 C ATOM 122 SG CYS A 8 0.875 -4.255 8.516 1.00 0.00 S ATOM 0 H CYS A 8 -0.242 -5.316 6.287 1.00 0.00 H new ATOM 0 HA CYS A 8 0.350 -7.821 7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.729 -6.439 9.000 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.980 -6.011 7.320 1.00 0.00 H new ATOM 0 HG CYS A 8 0.485 -3.646 7.436 1.00 0.00 H new ATOM 128 N ASN A 9 -2.004 -6.077 8.815 1.00 0.00 N ATOM 129 CA ASN A 9 -3.026 -6.007 9.846 1.00 0.00 C ATOM 130 C ASN A 9 -3.984 -7.173 9.701 1.00 0.00 C ATOM 131 O ASN A 9 -4.286 -7.884 10.661 1.00 0.00 O ATOM 132 CB ASN A 9 -3.802 -4.701 9.699 1.00 0.00 C ATOM 133 CG ASN A 9 -4.462 -4.236 10.981 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.036 -4.578 12.087 1.00 0.00 O ATOM 135 ND2 ASN A 9 -5.490 -3.417 10.837 1.00 0.00 N ATOM 0 H ASN A 9 -2.175 -5.462 8.019 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.551 -6.049 10.826 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.124 -3.924 9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.567 -4.827 8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.963 -3.042 11.660 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.810 -3.160 9.903 1.00 0.00 H new ATOM 142 N GLY A 10 -4.442 -7.368 8.477 1.00 0.00 N ATOM 143 CA GLY A 10 -5.407 -8.403 8.193 1.00 0.00 C ATOM 144 C GLY A 10 -6.637 -7.846 7.511 1.00 0.00 C ATOM 145 O GLY A 10 -7.686 -8.491 7.474 1.00 0.00 O ATOM 0 H GLY A 10 -4.157 -6.819 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.951 -9.162 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.697 -8.896 9.121 1.00 0.00 H new ATOM 149 N ALA A 11 -6.503 -6.639 6.973 1.00 0.00 N ATOM 150 CA ALA A 11 -7.585 -6.002 6.246 1.00 0.00 C ATOM 151 C ALA A 11 -7.484 -6.336 4.767 1.00 0.00 C ATOM 152 O ALA A 11 -6.405 -6.260 4.179 1.00 0.00 O ATOM 153 CB ALA A 11 -7.558 -4.493 6.452 1.00 0.00 C ATOM 0 H ALA A 11 -5.650 -6.083 7.029 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.532 -6.381 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.378 -4.035 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.667 -4.269 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.610 -4.094 6.092 1.00 0.00 H new ATOM 159 N LEU A 12 -8.604 -6.718 4.178 1.00 0.00 N ATOM 160 CA LEU A 12 -8.633 -7.111 2.777 1.00 0.00 C ATOM 161 C LEU A 12 -8.481 -5.907 1.861 1.00 0.00 C ATOM 162 O LEU A 12 -9.098 -4.861 2.076 1.00 0.00 O ATOM 163 CB LEU A 12 -9.928 -7.861 2.469 1.00 0.00 C ATOM 164 CG LEU A 12 -9.928 -9.335 2.872 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.350 -9.861 2.970 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.138 -10.144 1.858 1.00 0.00 C ATOM 0 H LEU A 12 -9.508 -6.765 4.648 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.788 -7.774 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.751 -7.360 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.126 -7.792 1.399 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.458 -9.432 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.330 -10.912 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.898 -9.290 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.843 -9.759 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.140 -11.194 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.594 -10.039 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.111 -9.780 1.822 1.00 0.00 H new ATOM 178 N LEU A 13 -7.651 -6.067 0.844 1.00 0.00 N ATOM 179 CA LEU A 13 -7.372 -5.004 -0.106 1.00 0.00 C ATOM 180 C LEU A 13 -8.102 -5.248 -1.417 1.00 0.00 C ATOM 181 O LEU A 13 -8.642 -6.334 -1.646 1.00 0.00 O ATOM 182 CB LEU A 13 -5.867 -4.921 -0.366 1.00 0.00 C ATOM 183 CG LEU A 13 -5.020 -4.499 0.834 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.541 -4.659 0.524 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.327 -3.060 1.214 1.00 0.00 C ATOM 0 H LEU A 13 -7.152 -6.936 0.654 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.722 -4.063 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.520 -5.895 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.694 -4.215 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.268 -5.144 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.953 -4.354 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.329 -5.702 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.279 -4.036 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.717 -2.772 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.103 -2.405 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.382 -2.969 1.473 1.00 0.00 H new ATOM 197 N ALA A 14 -8.110 -4.235 -2.272 1.00 0.00 N ATOM 198 CA ALA A 14 -8.711 -4.330 -3.594 1.00 0.00 C ATOM 199 C ALA A 14 -8.194 -3.199 -4.475 1.00 0.00 C ATOM 200 O ALA A 14 -7.479 -2.321 -3.993 1.00 0.00 O ATOM 201 CB ALA A 14 -10.229 -4.285 -3.496 1.00 0.00 C ATOM 0 H ALA A 14 -7.700 -3.324 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.432 -5.283 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.660 -4.357 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.579 -5.119 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.536 -3.346 -3.035 1.00 0.00 H new ATOM 207 N ASP A 15 -8.536 -3.226 -5.758 1.00 0.00 N ATOM 208 CA ASP A 15 -8.139 -2.154 -6.672 1.00 0.00 C ATOM 209 C ASP A 15 -8.786 -0.842 -6.253 1.00 0.00 C ATOM 210 O ASP A 15 -10.013 -0.734 -6.180 1.00 0.00 O ATOM 211 CB ASP A 15 -8.522 -2.481 -8.120 1.00 0.00 C ATOM 212 CG ASP A 15 -8.105 -1.391 -9.099 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.817 -0.367 -9.204 1.00 0.00 O ATOM 214 OD2 ASP A 15 -7.067 -1.553 -9.779 1.00 0.00 O ATOM 0 H ASP A 15 -9.083 -3.971 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.054 -2.058 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.056 -3.423 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.600 -2.626 -8.182 1.00 0.00 H new ATOM 219 N GLY A 16 -7.955 0.145 -5.966 1.00 0.00 N ATOM 220 CA GLY A 16 -8.451 1.433 -5.532 1.00 0.00 C ATOM 221 C GLY A 16 -8.275 1.635 -4.043 1.00 0.00 C ATOM 222 O GLY A 16 -8.704 2.648 -3.486 1.00 0.00 O ATOM 0 H GLY A 16 -6.939 0.077 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.927 2.223 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.507 1.520 -5.787 1.00 0.00 H new ATOM 226 N ASP A 17 -7.642 0.669 -3.395 1.00 0.00 N ATOM 227 CA ASP A 17 -7.394 0.743 -1.962 1.00 0.00 C ATOM 228 C ASP A 17 -6.124 1.546 -1.692 1.00 0.00 C ATOM 229 O ASP A 17 -5.421 1.948 -2.623 1.00 0.00 O ATOM 230 CB ASP A 17 -7.261 -0.658 -1.360 1.00 0.00 C ATOM 231 CG ASP A 17 -7.773 -0.728 0.067 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.291 0.038 0.923 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.676 -1.545 0.337 1.00 0.00 O ATOM 0 H ASP A 17 -7.289 -0.178 -3.840 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.242 1.242 -1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.813 -1.368 -1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.214 -0.962 -1.382 1.00 0.00 H new ATOM 238 N ASN A 18 -5.838 1.781 -0.425 1.00 0.00 N ATOM 239 CA ASN A 18 -4.675 2.557 -0.031 1.00 0.00 C ATOM 240 C ASN A 18 -4.004 1.954 1.185 1.00 0.00 C ATOM 241 O ASN A 18 -4.654 1.618 2.173 1.00 0.00 O ATOM 242 CB ASN A 18 -5.043 4.016 0.254 1.00 0.00 C ATOM 243 CG ASN A 18 -6.415 4.176 0.867 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.592 4.104 2.084 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.391 4.409 0.013 1.00 0.00 N ATOM 0 H ASN A 18 -6.400 1.442 0.356 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.978 2.533 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.300 4.447 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.999 4.583 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.344 4.539 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.193 4.459 -0.986 1.00 0.00 H new ATOM 252 N VAL A 19 -2.697 1.828 1.104 1.00 0.00 N ATOM 253 CA VAL A 19 -1.909 1.291 2.194 1.00 0.00 C ATOM 254 C VAL A 19 -0.817 2.276 2.581 1.00 0.00 C ATOM 255 O VAL A 19 -0.641 3.311 1.935 1.00 0.00 O ATOM 256 CB VAL A 19 -1.271 -0.071 1.832 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.344 -1.129 1.614 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.387 0.054 0.601 1.00 0.00 C ATOM 0 H VAL A 19 -2.152 2.094 0.284 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.583 1.132 3.036 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.647 -0.383 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.873 -2.079 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.930 -1.247 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.999 -0.820 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.050 -0.917 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.985 0.396 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.409 0.773 0.796 1.00 0.00 H new ATOM 268 N SER A 20 -0.103 1.976 3.646 1.00 0.00 N ATOM 269 CA SER A 20 0.997 2.810 4.081 1.00 0.00 C ATOM 270 C SER A 20 2.065 1.985 4.794 1.00 0.00 C ATOM 271 O SER A 20 1.777 0.933 5.363 1.00 0.00 O ATOM 272 CB SER A 20 0.473 3.952 4.958 1.00 0.00 C ATOM 273 OG SER A 20 -0.204 4.920 4.174 1.00 0.00 O ATOM 0 H SER A 20 -0.267 1.155 4.229 1.00 0.00 H new ATOM 0 HA SER A 20 1.474 3.250 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.202 3.554 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.303 4.421 5.486 1.00 0.00 H new ATOM 0 HG SER A 20 -0.407 4.543 3.292 1.00 0.00 H new ATOM 279 N LEU A 21 3.299 2.467 4.716 1.00 0.00 N ATOM 280 CA LEU A 21 4.467 1.780 5.261 1.00 0.00 C ATOM 281 C LEU A 21 4.403 1.674 6.781 1.00 0.00 C ATOM 282 O LEU A 21 4.233 2.679 7.473 1.00 0.00 O ATOM 283 CB LEU A 21 5.743 2.529 4.853 1.00 0.00 C ATOM 284 CG LEU A 21 6.356 2.141 3.500 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.958 0.756 3.581 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.326 2.201 2.383 1.00 0.00 C ATOM 0 H LEU A 21 3.521 3.356 4.268 1.00 0.00 H new ATOM 0 HA LEU A 21 4.479 0.769 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.522 3.596 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.494 2.372 5.627 1.00 0.00 H new ATOM 0 HG LEU A 21 7.140 2.862 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.390 0.490 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.737 0.742 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.182 0.037 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.795 1.920 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.511 1.511 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.933 3.215 2.305 1.00 0.00 H new ATOM 298 N ILE A 22 4.557 0.455 7.291 1.00 0.00 N ATOM 299 CA ILE A 22 4.541 0.214 8.736 1.00 0.00 C ATOM 300 C ILE A 22 5.943 0.316 9.315 1.00 0.00 C ATOM 301 O ILE A 22 6.130 0.364 10.530 1.00 0.00 O ATOM 302 CB ILE A 22 3.976 -1.180 9.074 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.878 -2.275 8.487 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.557 -1.310 8.552 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.430 -3.683 8.809 1.00 0.00 C ATOM 0 H ILE A 22 4.695 -0.384 6.727 1.00 0.00 H new ATOM 0 HA ILE A 22 3.898 0.977 9.174 1.00 0.00 H new ATOM 0 HB ILE A 22 3.954 -1.301 10.157 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.917 -2.156 7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.892 -2.134 8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.168 -2.299 8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.928 -0.549 9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.554 -1.176 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.120 -4.396 8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.418 -3.823 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.428 -3.846 8.411 1.00 0.00 H new ATOM 317 N LYS A 23 6.918 0.347 8.429 1.00 0.00 N ATOM 318 CA LYS A 23 8.319 0.407 8.801 1.00 0.00 C ATOM 319 C LYS A 23 9.090 1.050 7.659 1.00 0.00 C ATOM 320 O LYS A 23 8.493 1.431 6.652 1.00 0.00 O ATOM 321 CB LYS A 23 8.857 -1.000 9.088 1.00 0.00 C ATOM 322 CG LYS A 23 8.693 -1.942 7.910 1.00 0.00 C ATOM 323 CD LYS A 23 9.411 -3.268 8.101 1.00 0.00 C ATOM 324 CE LYS A 23 8.585 -4.269 8.896 1.00 0.00 C ATOM 325 NZ LYS A 23 8.452 -3.897 10.331 1.00 0.00 N ATOM 0 H LYS A 23 6.760 0.331 7.421 1.00 0.00 H new ATOM 0 HA LYS A 23 8.438 1.000 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.913 -0.934 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.338 -1.413 9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.632 -2.131 7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.071 -1.457 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.650 -3.692 7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.357 -3.095 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.592 -4.348 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.046 -5.254 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.445 -4.758 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.254 -3.297 10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.564 -3.375 10.474 1.00 0.00 H new ATOM 339 N ASP A 24 10.398 1.170 7.805 1.00 0.00 N ATOM 340 CA ASP A 24 11.214 1.785 6.771 1.00 0.00 C ATOM 341 C ASP A 24 11.835 0.719 5.878 1.00 0.00 C ATOM 342 O ASP A 24 12.710 -0.031 6.311 1.00 0.00 O ATOM 343 CB ASP A 24 12.326 2.632 7.393 1.00 0.00 C ATOM 344 CG ASP A 24 11.892 3.350 8.653 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.193 4.374 8.553 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.271 2.898 9.755 1.00 0.00 O ATOM 0 H ASP A 24 10.916 0.852 8.624 1.00 0.00 H new ATOM 0 HA ASP A 24 10.568 2.427 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.177 1.991 7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.667 3.366 6.663 1.00 0.00 H new ATOM 351 N LEU A 25 11.373 0.645 4.640 1.00 0.00 N ATOM 352 CA LEU A 25 11.929 -0.297 3.673 1.00 0.00 C ATOM 353 C LEU A 25 12.827 0.446 2.698 1.00 0.00 C ATOM 354 O LEU A 25 12.574 1.603 2.367 1.00 0.00 O ATOM 355 CB LEU A 25 10.827 -1.034 2.893 1.00 0.00 C ATOM 356 CG LEU A 25 10.021 -2.091 3.664 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.924 -3.151 4.279 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.169 -1.452 4.730 1.00 0.00 C ATOM 0 H LEU A 25 10.615 1.224 4.278 1.00 0.00 H new ATOM 0 HA LEU A 25 12.504 -1.041 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.130 -0.291 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.287 -1.519 2.032 1.00 0.00 H new ATOM 0 HG LEU A 25 9.368 -2.582 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.316 -3.880 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.483 -3.655 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.620 -2.678 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.610 -2.223 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.807 -0.918 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.473 -0.752 4.268 1.00 0.00 H new ATOM 370 N LYS A 26 13.877 -0.208 2.239 1.00 0.00 N ATOM 371 CA LYS A 26 14.797 0.419 1.305 1.00 0.00 C ATOM 372 C LYS A 26 14.977 -0.449 0.076 1.00 0.00 C ATOM 373 O LYS A 26 15.349 -1.617 0.170 1.00 0.00 O ATOM 374 CB LYS A 26 16.131 0.705 1.972 1.00 0.00 C ATOM 375 CG LYS A 26 16.005 1.652 3.149 1.00 0.00 C ATOM 376 CD LYS A 26 17.360 2.044 3.681 1.00 0.00 C ATOM 377 CE LYS A 26 18.066 0.868 4.338 1.00 0.00 C ATOM 378 NZ LYS A 26 19.401 1.252 4.863 1.00 0.00 N ATOM 0 H LYS A 26 14.115 -1.167 2.494 1.00 0.00 H new ATOM 0 HA LYS A 26 14.372 1.372 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.572 -0.233 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.815 1.132 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.459 2.545 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.424 1.178 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.974 2.429 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.248 2.852 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.452 0.484 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.178 0.060 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.852 0.425 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.996 1.595 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.292 2.005 5.572 1.00 0.00 H new ATOM 392 N LEU A 27 14.694 0.132 -1.068 1.00 0.00 N ATOM 393 CA LEU A 27 14.603 -0.608 -2.303 1.00 0.00 C ATOM 394 C LEU A 27 15.751 -0.264 -3.234 1.00 0.00 C ATOM 395 O LEU A 27 16.535 0.651 -2.971 1.00 0.00 O ATOM 396 CB LEU A 27 13.255 -0.321 -2.977 1.00 0.00 C ATOM 397 CG LEU A 27 12.026 -0.898 -2.262 1.00 0.00 C ATOM 398 CD1 LEU A 27 12.168 -2.402 -2.090 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.816 -0.221 -0.914 1.00 0.00 C ATOM 0 H LEU A 27 14.520 1.132 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 27 14.671 -1.672 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.132 0.759 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.284 -0.718 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 27 11.149 -0.702 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.288 -2.795 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.262 -2.873 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.057 -2.618 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.939 -0.646 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.693 -0.379 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.665 0.848 -1.063 1.00 0.00 H new ATOM 411 N LYS A 28 15.822 -0.991 -4.330 1.00 0.00 N ATOM 412 CA LYS A 28 16.941 -0.892 -5.254 1.00 0.00 C ATOM 413 C LYS A 28 16.738 0.244 -6.251 1.00 0.00 C ATOM 414 O LYS A 28 15.797 1.036 -6.132 1.00 0.00 O ATOM 415 CB LYS A 28 17.119 -2.218 -5.996 1.00 0.00 C ATOM 416 CG LYS A 28 17.251 -3.414 -5.067 1.00 0.00 C ATOM 417 CD LYS A 28 17.417 -4.709 -5.840 1.00 0.00 C ATOM 418 CE LYS A 28 17.378 -5.910 -4.911 1.00 0.00 C ATOM 419 NZ LYS A 28 17.579 -7.188 -5.641 1.00 0.00 N ATOM 0 H LYS A 28 15.110 -1.666 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 28 17.840 -0.675 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.267 -2.373 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.006 -2.157 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.108 -3.271 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.368 -3.480 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.626 -4.796 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.363 -4.694 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.150 -5.803 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.419 -5.936 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.545 -7.981 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.828 -7.304 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.505 -7.175 -6.115 1.00 0.00 H new ATOM 433 N GLY A 29 17.635 0.324 -7.222 1.00 0.00 N ATOM 434 CA GLY A 29 17.558 1.358 -8.229 1.00 0.00 C ATOM 435 C GLY A 29 18.342 2.581 -7.824 1.00 0.00 C ATOM 436 O GLY A 29 19.571 2.556 -7.790 1.00 0.00 O ATOM 0 H GLY A 29 18.422 -0.316 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.941 0.976 -9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.516 1.630 -8.394 1.00 0.00 H new ATOM 440 N SER A 30 17.632 3.642 -7.486 1.00 0.00 N ATOM 441 CA SER A 30 18.256 4.874 -7.029 1.00 0.00 C ATOM 442 C SER A 30 18.304 4.895 -5.502 1.00 0.00 C ATOM 443 O SER A 30 18.359 5.962 -4.889 1.00 0.00 O ATOM 444 CB SER A 30 17.459 6.072 -7.558 1.00 0.00 C ATOM 445 OG SER A 30 18.096 7.302 -7.252 1.00 0.00 O ATOM 0 H SER A 30 16.613 3.676 -7.519 1.00 0.00 H new ATOM 0 HA SER A 30 19.277 4.932 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.341 5.982 -8.638 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.458 6.063 -7.126 1.00 0.00 H new ATOM 0 HG SER A 30 18.344 7.315 -6.304 1.00 0.00 H new ATOM 451 N SER A 31 18.321 3.701 -4.907 1.00 0.00 N ATOM 452 CA SER A 31 18.218 3.545 -3.462 1.00 0.00 C ATOM 453 C SER A 31 16.924 4.176 -2.964 1.00 0.00 C ATOM 454 O SER A 31 16.926 5.258 -2.369 1.00 0.00 O ATOM 455 CB SER A 31 19.433 4.152 -2.750 1.00 0.00 C ATOM 456 OG SER A 31 20.637 3.526 -3.171 1.00 0.00 O ATOM 0 H SER A 31 18.406 2.820 -5.414 1.00 0.00 H new ATOM 0 HA SER A 31 18.202 2.480 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.483 5.221 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.319 4.041 -1.672 1.00 0.00 H new ATOM 0 HG SER A 31 21.397 3.932 -2.704 1.00 0.00 H new ATOM 462 N THR A 32 15.816 3.507 -3.237 1.00 0.00 N ATOM 463 CA THR A 32 14.515 4.048 -2.906 1.00 0.00 C ATOM 464 C THR A 32 14.180 3.756 -1.453 1.00 0.00 C ATOM 465 O THR A 32 13.823 2.637 -1.098 1.00 0.00 O ATOM 466 CB THR A 32 13.424 3.461 -3.818 1.00 0.00 C ATOM 467 OG1 THR A 32 13.832 3.560 -5.189 1.00 0.00 O ATOM 468 CG2 THR A 32 12.103 4.193 -3.625 1.00 0.00 C ATOM 0 H THR A 32 15.795 2.591 -3.686 1.00 0.00 H new ATOM 0 HA THR A 32 14.550 5.127 -3.059 1.00 0.00 H new ATOM 0 HB THR A 32 13.282 2.414 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.407 2.799 -5.415 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.348 3.760 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.782 4.097 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.233 5.248 -3.868 1.00 0.00 H new ATOM 476 N VAL A 33 14.310 4.765 -0.615 1.00 0.00 N ATOM 477 CA VAL A 33 14.029 4.608 0.797 1.00 0.00 C ATOM 478 C VAL A 33 12.591 5.002 1.094 1.00 0.00 C ATOM 479 O VAL A 33 12.223 6.179 1.018 1.00 0.00 O ATOM 480 CB VAL A 33 14.993 5.442 1.670 1.00 0.00 C ATOM 481 CG1 VAL A 33 14.714 5.216 3.148 1.00 0.00 C ATOM 482 CG2 VAL A 33 16.439 5.105 1.343 1.00 0.00 C ATOM 0 H VAL A 33 14.608 5.702 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 33 14.177 3.557 1.046 1.00 0.00 H new ATOM 0 HB VAL A 33 14.827 6.496 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.404 5.813 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.690 5.512 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.848 4.161 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 33 17.102 5.703 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.618 4.047 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.635 5.324 0.293 1.00 0.00 H new ATOM 492 N LEU A 34 11.777 4.005 1.386 1.00 0.00 N ATOM 493 CA LEU A 34 10.394 4.217 1.749 1.00 0.00 C ATOM 494 C LEU A 34 10.253 4.136 3.260 1.00 0.00 C ATOM 495 O LEU A 34 10.085 3.057 3.830 1.00 0.00 O ATOM 496 CB LEU A 34 9.513 3.178 1.058 1.00 0.00 C ATOM 497 CG LEU A 34 9.616 3.174 -0.462 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.032 1.896 -1.036 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.923 4.394 -1.047 1.00 0.00 C ATOM 0 H LEU A 34 12.059 3.025 1.377 1.00 0.00 H new ATOM 0 HA LEU A 34 10.071 5.206 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.779 2.189 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.475 3.356 1.339 1.00 0.00 H new ATOM 0 HG LEU A 34 10.671 3.217 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.116 1.914 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.578 1.038 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.982 1.817 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.007 4.374 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.870 4.385 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.394 5.299 -0.663 1.00 0.00 H new ATOM 511 N LYS A 35 10.366 5.286 3.901 1.00 0.00 N ATOM 512 CA LYS A 35 10.347 5.367 5.353 1.00 0.00 C ATOM 513 C LYS A 35 8.964 5.074 5.905 1.00 0.00 C ATOM 514 O LYS A 35 7.973 5.082 5.171 1.00 0.00 O ATOM 515 CB LYS A 35 10.806 6.755 5.803 1.00 0.00 C ATOM 516 CG LYS A 35 12.292 6.996 5.595 1.00 0.00 C ATOM 517 CD LYS A 35 13.126 6.256 6.626 1.00 0.00 C ATOM 518 CE LYS A 35 12.875 6.783 8.030 1.00 0.00 C ATOM 519 NZ LYS A 35 13.695 6.068 9.039 1.00 0.00 N ATOM 0 H LYS A 35 10.473 6.186 3.434 1.00 0.00 H new ATOM 0 HA LYS A 35 11.031 4.613 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.243 7.511 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.569 6.883 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.578 6.672 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.500 8.064 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.892 5.192 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.183 6.359 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.102 7.848 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.819 6.674 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.156 5.977 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.937 5.121 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.568 6.603 9.219 1.00 0.00 H new ATOM 533 N ARG A 36 8.908 4.812 7.197 1.00 0.00 N ATOM 534 CA ARG A 36 7.655 4.528 7.870 1.00 0.00 C ATOM 535 C ARG A 36 6.667 5.669 7.665 1.00 0.00 C ATOM 536 O ARG A 36 7.016 6.843 7.808 1.00 0.00 O ATOM 537 CB ARG A 36 7.902 4.311 9.359 1.00 0.00 C ATOM 538 CG ARG A 36 6.718 3.702 10.087 1.00 0.00 C ATOM 539 CD ARG A 36 7.098 3.290 11.493 1.00 0.00 C ATOM 540 NE ARG A 36 6.008 2.598 12.178 1.00 0.00 N ATOM 541 CZ ARG A 36 5.366 3.079 13.242 1.00 0.00 C ATOM 542 NH1 ARG A 36 5.676 4.279 13.727 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.416 2.355 13.825 1.00 0.00 N ATOM 0 H ARG A 36 9.725 4.790 7.807 1.00 0.00 H new ATOM 0 HA ARG A 36 7.228 3.620 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.769 3.662 9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.150 5.267 9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.900 4.422 10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.355 2.835 9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.972 2.640 11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.382 4.174 12.065 1.00 0.00 H new ATOM 0 HE ARG A 36 5.720 1.688 11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.408 4.835 13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.182 4.643 14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.180 1.433 13.458 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.923 2.721 14.640 1.00 0.00 H new ATOM 557 N GLY A 37 5.438 5.317 7.322 1.00 0.00 N ATOM 558 CA GLY A 37 4.421 6.320 7.087 1.00 0.00 C ATOM 559 C GLY A 37 4.234 6.648 5.618 1.00 0.00 C ATOM 560 O GLY A 37 3.290 7.350 5.259 1.00 0.00 O ATOM 0 H GLY A 37 5.126 4.353 7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.474 5.971 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.686 7.230 7.625 1.00 0.00 H new ATOM 564 N THR A 38 5.134 6.159 4.767 1.00 0.00 N ATOM 565 CA THR A 38 5.002 6.352 3.324 1.00 0.00 C ATOM 566 C THR A 38 3.669 5.796 2.836 1.00 0.00 C ATOM 567 O THR A 38 3.359 4.628 3.058 1.00 0.00 O ATOM 568 CB THR A 38 6.153 5.670 2.554 1.00 0.00 C ATOM 569 OG1 THR A 38 7.404 6.259 2.926 1.00 0.00 O ATOM 570 CG2 THR A 38 5.965 5.798 1.050 1.00 0.00 C ATOM 0 H THR A 38 5.958 5.629 5.049 1.00 0.00 H new ATOM 0 HA THR A 38 5.046 7.424 3.132 1.00 0.00 H new ATOM 0 HB THR A 38 6.148 4.611 2.814 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.800 5.749 3.663 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.792 5.307 0.537 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.027 5.326 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.941 6.852 0.775 1.00 0.00 H new ATOM 578 N MET A 39 2.876 6.629 2.183 1.00 0.00 N ATOM 579 CA MET A 39 1.556 6.212 1.758 1.00 0.00 C ATOM 580 C MET A 39 1.575 5.693 0.335 1.00 0.00 C ATOM 581 O MET A 39 1.981 6.391 -0.594 1.00 0.00 O ATOM 582 CB MET A 39 0.551 7.353 1.883 1.00 0.00 C ATOM 583 CG MET A 39 -0.869 6.927 1.556 1.00 0.00 C ATOM 584 SD MET A 39 -2.099 8.065 2.210 1.00 0.00 S ATOM 585 CE MET A 39 -3.439 6.922 2.521 1.00 0.00 C ATOM 0 H MET A 39 3.122 7.588 1.939 1.00 0.00 H new ATOM 0 HA MET A 39 1.246 5.401 2.417 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.582 7.748 2.898 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.845 8.164 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.983 6.856 0.474 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.048 5.931 1.961 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.014 7.261 3.383 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.089 6.876 1.647 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.032 5.931 2.723 1.00 0.00 H new ATOM 595 N ILE A 40 1.138 4.460 0.180 1.00 0.00 N ATOM 596 CA ILE A 40 0.977 3.865 -1.134 1.00 0.00 C ATOM 597 C ILE A 40 -0.507 3.683 -1.419 1.00 0.00 C ATOM 598 O ILE A 40 -1.120 2.709 -0.986 1.00 0.00 O ATOM 599 CB ILE A 40 1.696 2.502 -1.253 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.170 2.641 -0.868 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.564 1.955 -2.667 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.960 1.354 -1.002 1.00 0.00 C ATOM 0 H ILE A 40 0.886 3.845 0.954 1.00 0.00 H new ATOM 0 HA ILE A 40 1.430 4.537 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 40 1.225 1.800 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.629 3.406 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.236 2.991 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.075 0.995 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.509 1.822 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.012 2.656 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.996 1.531 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.527 0.592 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.926 1.013 -2.037 1.00 0.00 H new ATOM 614 N ARG A 41 -1.091 4.644 -2.104 1.00 0.00 N ATOM 615 CA ARG A 41 -2.511 4.594 -2.411 1.00 0.00 C ATOM 616 C ARG A 41 -2.732 4.323 -3.889 1.00 0.00 C ATOM 617 O ARG A 41 -1.839 4.541 -4.708 1.00 0.00 O ATOM 618 CB ARG A 41 -3.215 5.886 -1.985 1.00 0.00 C ATOM 619 CG ARG A 41 -2.428 7.156 -2.263 1.00 0.00 C ATOM 620 CD ARG A 41 -3.330 8.376 -2.206 1.00 0.00 C ATOM 621 NE ARG A 41 -2.594 9.622 -2.410 1.00 0.00 N ATOM 622 CZ ARG A 41 -3.142 10.740 -2.884 1.00 0.00 C ATOM 623 NH1 ARG A 41 -4.391 10.733 -3.335 1.00 0.00 N ATOM 624 NH2 ARG A 41 -2.424 11.853 -2.942 1.00 0.00 N ATOM 0 H ARG A 41 -0.608 5.469 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.948 3.773 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.174 5.948 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.429 5.833 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.625 7.258 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.960 7.091 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.106 8.287 -2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.833 8.408 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.601 9.637 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.934 9.870 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.807 11.591 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.455 11.852 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.841 12.710 -3.304 1.00 0.00 H new ATOM 638 N GLY A 42 -3.921 3.839 -4.219 1.00 0.00 N ATOM 639 CA GLY A 42 -4.212 3.467 -5.584 1.00 0.00 C ATOM 640 C GLY A 42 -3.646 2.106 -5.905 1.00 0.00 C ATOM 641 O GLY A 42 -3.119 1.882 -6.994 1.00 0.00 O ATOM 0 H GLY A 42 -4.689 3.698 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.291 3.463 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.793 4.209 -6.264 1.00 0.00 H new ATOM 645 N ILE A 43 -3.749 1.194 -4.944 1.00 0.00 N ATOM 646 CA ILE A 43 -3.186 -0.130 -5.095 1.00 0.00 C ATOM 647 C ILE A 43 -4.214 -1.077 -5.691 1.00 0.00 C ATOM 648 O ILE A 43 -5.412 -0.796 -5.681 1.00 0.00 O ATOM 649 CB ILE A 43 -2.657 -0.693 -3.749 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.795 -1.005 -2.767 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.689 0.291 -3.115 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.275 -2.442 -2.811 1.00 0.00 C ATOM 0 H ILE A 43 -4.219 1.354 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.337 -0.047 -5.774 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.142 -1.628 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.460 -0.776 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.636 -0.346 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.324 -0.114 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.848 0.458 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.200 1.236 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.079 -2.579 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.643 -2.672 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.449 -3.109 -2.566 1.00 0.00 H new ATOM 664 N ARG A 44 -3.736 -2.184 -6.216 1.00 0.00 N ATOM 665 CA ARG A 44 -4.595 -3.190 -6.807 1.00 0.00 C ATOM 666 C ARG A 44 -4.076 -4.579 -6.485 1.00 0.00 C ATOM 667 O ARG A 44 -2.895 -4.750 -6.175 1.00 0.00 O ATOM 668 CB ARG A 44 -4.657 -3.003 -8.317 1.00 0.00 C ATOM 669 CG ARG A 44 -3.288 -2.924 -8.962 1.00 0.00 C ATOM 670 CD ARG A 44 -3.382 -3.014 -10.470 1.00 0.00 C ATOM 671 NE ARG A 44 -4.219 -1.961 -11.036 1.00 0.00 N ATOM 672 CZ ARG A 44 -4.008 -1.410 -12.228 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.960 -1.782 -12.959 1.00 0.00 N ATOM 674 NH2 ARG A 44 -4.830 -0.474 -12.682 1.00 0.00 N ATOM 0 H ARG A 44 -2.743 -2.413 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.596 -3.080 -6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.212 -3.831 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.211 -2.092 -8.542 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.805 -1.988 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.660 -3.732 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.382 -2.950 -10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.787 -3.987 -10.749 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.011 -1.629 -10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.317 -2.491 -12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.800 -1.359 -13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.625 -0.176 -12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.667 -0.052 -13.596 1.00 0.00 H new ATOM 688 N LEU A 45 -4.957 -5.564 -6.561 1.00 0.00 N ATOM 689 CA LEU A 45 -4.575 -6.944 -6.310 1.00 0.00 C ATOM 690 C LEU A 45 -3.911 -7.528 -7.547 1.00 0.00 C ATOM 691 O LEU A 45 -4.145 -7.064 -8.664 1.00 0.00 O ATOM 692 CB LEU A 45 -5.797 -7.784 -5.927 1.00 0.00 C ATOM 693 CG LEU A 45 -6.654 -7.216 -4.796 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.737 -8.206 -4.395 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.794 -6.840 -3.599 1.00 0.00 C ATOM 0 H LEU A 45 -5.941 -5.433 -6.794 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.870 -6.963 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.425 -7.905 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.457 -8.779 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.138 -6.309 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.336 -7.783 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.377 -8.412 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.275 -9.133 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.427 -6.438 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.273 -7.725 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.065 -6.087 -3.897 1.00 0.00 H new ATOM 707 N THR A 46 -3.074 -8.530 -7.348 1.00 0.00 N ATOM 708 CA THR A 46 -2.388 -9.176 -8.453 1.00 0.00 C ATOM 709 C THR A 46 -2.595 -10.686 -8.392 1.00 0.00 C ATOM 710 O THR A 46 -3.457 -11.166 -7.654 1.00 0.00 O ATOM 711 CB THR A 46 -0.877 -8.854 -8.438 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.297 -9.236 -7.182 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.629 -7.373 -8.680 1.00 0.00 C ATOM 0 H THR A 46 -2.852 -8.915 -6.430 1.00 0.00 H new ATOM 0 HA THR A 46 -2.811 -8.791 -9.381 1.00 0.00 H new ATOM 0 HB THR A 46 -0.409 -9.422 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.658 -8.669 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.443 -7.176 -8.664 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.035 -7.090 -9.651 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.117 -6.790 -7.899 1.00 0.00 H new ATOM 721 N ASP A 47 -1.817 -11.428 -9.176 1.00 0.00 N ATOM 722 CA ASP A 47 -1.846 -12.890 -9.127 1.00 0.00 C ATOM 723 C ASP A 47 -1.392 -13.382 -7.761 1.00 0.00 C ATOM 724 O ASP A 47 -1.696 -14.506 -7.353 1.00 0.00 O ATOM 725 CB ASP A 47 -0.944 -13.492 -10.208 1.00 0.00 C ATOM 726 CG ASP A 47 -1.562 -13.449 -11.590 1.00 0.00 C ATOM 727 OD1 ASP A 47 -1.517 -12.384 -12.239 1.00 0.00 O ATOM 728 OD2 ASP A 47 -2.077 -14.492 -12.042 1.00 0.00 O ATOM 0 H ASP A 47 -1.159 -11.043 -9.853 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.872 -13.210 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.003 -12.953 -10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.718 -14.527 -9.950 1.00 0.00 H new ATOM 733 N SER A 48 -0.654 -12.530 -7.067 1.00 0.00 N ATOM 734 CA SER A 48 -0.171 -12.826 -5.738 1.00 0.00 C ATOM 735 C SER A 48 -1.219 -12.479 -4.689 1.00 0.00 C ATOM 736 O SER A 48 -1.930 -11.480 -4.805 1.00 0.00 O ATOM 737 CB SER A 48 1.087 -12.015 -5.466 1.00 0.00 C ATOM 738 OG SER A 48 2.138 -12.352 -6.356 1.00 0.00 O ATOM 0 H SER A 48 -0.375 -11.613 -7.415 1.00 0.00 H new ATOM 0 HA SER A 48 0.045 -13.893 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.861 -10.953 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.413 -12.184 -4.440 1.00 0.00 H new ATOM 0 HG SER A 48 2.992 -12.331 -5.876 1.00 0.00 H new ATOM 744 N GLU A 49 -1.293 -13.304 -3.660 1.00 0.00 N ATOM 745 CA GLU A 49 -2.169 -13.050 -2.522 1.00 0.00 C ATOM 746 C GLU A 49 -1.410 -12.247 -1.486 1.00 0.00 C ATOM 747 O GLU A 49 -1.961 -11.803 -0.477 1.00 0.00 O ATOM 748 CB GLU A 49 -2.631 -14.363 -1.884 1.00 0.00 C ATOM 749 CG GLU A 49 -2.664 -15.539 -2.844 1.00 0.00 C ATOM 750 CD GLU A 49 -1.339 -16.273 -2.936 1.00 0.00 C ATOM 751 OE1 GLU A 49 -0.438 -15.802 -3.659 1.00 0.00 O ATOM 752 OE2 GLU A 49 -1.198 -17.337 -2.298 1.00 0.00 O ATOM 0 H GLU A 49 -0.752 -14.166 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.044 -12.502 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.968 -14.604 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.627 -14.221 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.438 -16.238 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.944 -15.183 -3.835 1.00 0.00 H new ATOM 759 N ASP A 50 -0.124 -12.093 -1.745 1.00 0.00 N ATOM 760 CA ASP A 50 0.784 -11.461 -0.808 1.00 0.00 C ATOM 761 C ASP A 50 1.364 -10.176 -1.385 1.00 0.00 C ATOM 762 O ASP A 50 2.059 -9.432 -0.695 1.00 0.00 O ATOM 763 CB ASP A 50 1.907 -12.436 -0.461 1.00 0.00 C ATOM 764 CG ASP A 50 1.414 -13.642 0.307 1.00 0.00 C ATOM 765 OD1 ASP A 50 0.999 -13.482 1.477 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.445 -14.761 -0.249 1.00 0.00 O ATOM 0 H ASP A 50 0.319 -12.403 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 50 0.230 -11.200 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.392 -12.768 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.663 -11.918 0.129 1.00 0.00 H new ATOM 771 N GLU A 51 1.055 -9.905 -2.645 1.00 0.00 N ATOM 772 CA GLU A 51 1.579 -8.724 -3.315 1.00 0.00 C ATOM 773 C GLU A 51 0.462 -7.880 -3.891 1.00 0.00 C ATOM 774 O GLU A 51 -0.546 -8.396 -4.380 1.00 0.00 O ATOM 775 CB GLU A 51 2.536 -9.078 -4.454 1.00 0.00 C ATOM 776 CG GLU A 51 3.945 -9.455 -4.028 1.00 0.00 C ATOM 777 CD GLU A 51 4.089 -10.908 -3.631 1.00 0.00 C ATOM 778 OE1 GLU A 51 4.015 -11.780 -4.522 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.316 -11.178 -2.438 1.00 0.00 O ATOM 0 H GLU A 51 0.446 -10.485 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 51 2.121 -8.166 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.111 -9.908 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.595 -8.228 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.633 -9.241 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.242 -8.826 -3.189 1.00 0.00 H new ATOM 786 N ILE A 52 0.669 -6.582 -3.841 1.00 0.00 N ATOM 787 CA ILE A 52 -0.229 -5.622 -4.452 1.00 0.00 C ATOM 788 C ILE A 52 0.587 -4.594 -5.219 1.00 0.00 C ATOM 789 O ILE A 52 1.764 -4.393 -4.932 1.00 0.00 O ATOM 790 CB ILE A 52 -1.122 -4.914 -3.404 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.282 -4.342 -2.254 1.00 0.00 C ATOM 792 CG2 ILE A 52 -2.180 -5.867 -2.871 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.195 -2.922 -2.485 1.00 0.00 C ATOM 0 H ILE A 52 1.470 -6.159 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.891 -6.160 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.623 -4.082 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.872 -4.372 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.585 -4.984 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.797 -5.351 -2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.807 -6.212 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.695 -6.723 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.781 -2.591 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.813 -2.887 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.666 -2.265 -2.612 1.00 0.00 H new ATOM 805 N GLU A 53 -0.021 -3.957 -6.193 1.00 0.00 N ATOM 806 CA GLU A 53 0.675 -2.958 -6.979 1.00 0.00 C ATOM 807 C GLU A 53 0.042 -1.596 -6.756 1.00 0.00 C ATOM 808 O GLU A 53 -1.174 -1.458 -6.838 1.00 0.00 O ATOM 809 CB GLU A 53 0.624 -3.330 -8.453 1.00 0.00 C ATOM 810 CG GLU A 53 1.363 -2.356 -9.359 1.00 0.00 C ATOM 811 CD GLU A 53 1.139 -2.635 -10.830 1.00 0.00 C ATOM 812 OE1 GLU A 53 0.087 -2.228 -11.365 1.00 0.00 O ATOM 813 OE2 GLU A 53 2.017 -3.251 -11.469 1.00 0.00 O ATOM 0 H GLU A 53 -0.993 -4.110 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 53 1.718 -2.917 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.049 -4.325 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.418 -3.385 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.039 -1.340 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.430 -2.405 -9.143 1.00 0.00 H new ATOM 820 N GLY A 54 0.863 -0.600 -6.467 1.00 0.00 N ATOM 821 CA GLY A 54 0.345 0.723 -6.194 1.00 0.00 C ATOM 822 C GLY A 54 1.302 1.811 -6.616 1.00 0.00 C ATOM 823 O GLY A 54 2.207 1.571 -7.413 1.00 0.00 O ATOM 0 H GLY A 54 1.878 -0.684 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.603 0.854 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.139 0.817 -5.128 1.00 0.00 H new ATOM 827 N ARG A 55 1.115 3.007 -6.078 1.00 0.00 N ATOM 828 CA ARG A 55 1.953 4.136 -6.439 1.00 0.00 C ATOM 829 C ARG A 55 2.333 4.942 -5.200 1.00 0.00 C ATOM 830 O ARG A 55 1.538 5.088 -4.269 1.00 0.00 O ATOM 831 CB ARG A 55 1.231 5.013 -7.465 1.00 0.00 C ATOM 832 CG ARG A 55 0.126 5.884 -6.890 1.00 0.00 C ATOM 833 CD ARG A 55 -0.664 6.561 -7.996 1.00 0.00 C ATOM 834 NE ARG A 55 -1.472 7.674 -7.501 1.00 0.00 N ATOM 835 CZ ARG A 55 -2.485 8.215 -8.175 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.903 7.664 -9.306 1.00 0.00 N ATOM 837 NH2 ARG A 55 -3.099 9.292 -7.698 1.00 0.00 N ATOM 0 H ARG A 55 0.391 3.219 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 55 2.874 3.764 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.964 5.655 -7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.805 4.371 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.542 5.275 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.558 6.638 -6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.023 6.926 -8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.314 5.829 -8.476 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.246 8.059 -6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.448 6.823 -9.662 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.679 8.081 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.794 9.704 -6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.875 9.707 -8.214 1.00 0.00 H new ATOM 851 N THR A 56 3.559 5.434 -5.188 1.00 0.00 N ATOM 852 CA THR A 56 4.062 6.247 -4.093 1.00 0.00 C ATOM 853 C THR A 56 4.334 7.661 -4.600 1.00 0.00 C ATOM 854 O THR A 56 4.008 7.986 -5.745 1.00 0.00 O ATOM 855 CB THR A 56 5.373 5.663 -3.515 1.00 0.00 C ATOM 856 OG1 THR A 56 6.448 5.887 -4.429 1.00 0.00 O ATOM 857 CG2 THR A 56 5.264 4.168 -3.273 1.00 0.00 C ATOM 0 H THR A 56 4.235 5.282 -5.937 1.00 0.00 H new ATOM 0 HA THR A 56 3.309 6.259 -3.305 1.00 0.00 H new ATOM 0 HB THR A 56 5.558 6.164 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.213 5.520 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.205 3.796 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.460 3.972 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.049 3.662 -4.214 1.00 0.00 H new ATOM 865 N ASP A 57 4.948 8.490 -3.765 1.00 0.00 N ATOM 866 CA ASP A 57 5.364 9.822 -4.188 1.00 0.00 C ATOM 867 C ASP A 57 6.580 9.717 -5.097 1.00 0.00 C ATOM 868 O ASP A 57 6.819 10.577 -5.942 1.00 0.00 O ATOM 869 CB ASP A 57 5.697 10.711 -2.983 1.00 0.00 C ATOM 870 CG ASP A 57 4.484 11.051 -2.143 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.812 12.062 -2.440 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.201 10.316 -1.169 1.00 0.00 O ATOM 0 H ASP A 57 5.168 8.265 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 57 4.536 10.279 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.434 10.206 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.157 11.634 -3.336 1.00 0.00 H new ATOM 877 N LYS A 58 7.338 8.642 -4.920 1.00 0.00 N ATOM 878 CA LYS A 58 8.529 8.397 -5.719 1.00 0.00 C ATOM 879 C LYS A 58 8.210 7.441 -6.866 1.00 0.00 C ATOM 880 O LYS A 58 8.050 7.854 -8.015 1.00 0.00 O ATOM 881 CB LYS A 58 9.649 7.806 -4.849 1.00 0.00 C ATOM 882 CG LYS A 58 10.124 8.725 -3.731 1.00 0.00 C ATOM 883 CD LYS A 58 11.168 8.040 -2.858 1.00 0.00 C ATOM 884 CE LYS A 58 11.715 8.983 -1.796 1.00 0.00 C ATOM 885 NZ LYS A 58 12.696 8.314 -0.897 1.00 0.00 N ATOM 0 H LYS A 58 7.146 7.922 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 58 8.866 9.348 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.298 6.871 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.498 7.560 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.545 9.635 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.274 9.025 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.726 7.167 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.986 7.680 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.192 9.835 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.890 9.375 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.128 9.020 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.209 7.594 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.437 7.860 -1.468 1.00 0.00 H new ATOM 899 N ILE A 59 8.082 6.165 -6.528 1.00 0.00 N ATOM 900 CA ILE A 59 7.841 5.114 -7.508 1.00 0.00 C ATOM 901 C ILE A 59 6.346 4.926 -7.732 1.00 0.00 C ATOM 902 O ILE A 59 5.603 4.704 -6.780 1.00 0.00 O ATOM 903 CB ILE A 59 8.431 3.766 -7.037 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.849 3.949 -6.487 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.426 2.758 -8.178 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.804 4.602 -7.460 1.00 0.00 C ATOM 0 H ILE A 59 8.142 5.829 -5.567 1.00 0.00 H new ATOM 0 HA ILE A 59 8.326 5.421 -8.435 1.00 0.00 H new ATOM 0 HB ILE A 59 7.805 3.384 -6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.801 4.552 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.246 2.975 -6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.845 1.813 -7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.403 2.598 -8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.027 3.140 -9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.786 4.697 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.883 3.990 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.432 5.591 -7.727 1.00 0.00 H new ATOM 918 N LYS A 60 5.904 5.013 -8.973 1.00 0.00 N ATOM 919 CA LYS A 60 4.499 4.799 -9.287 1.00 0.00 C ATOM 920 C LYS A 60 4.331 3.536 -10.131 1.00 0.00 C ATOM 921 O LYS A 60 5.032 3.341 -11.124 1.00 0.00 O ATOM 922 CB LYS A 60 3.908 6.015 -10.013 1.00 0.00 C ATOM 923 CG LYS A 60 4.590 6.323 -11.335 1.00 0.00 C ATOM 924 CD LYS A 60 3.873 7.421 -12.107 1.00 0.00 C ATOM 925 CE LYS A 60 3.944 8.764 -11.395 1.00 0.00 C ATOM 926 NZ LYS A 60 3.318 9.847 -12.201 1.00 0.00 N ATOM 0 H LYS A 60 6.492 5.229 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 60 3.955 4.668 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.847 5.840 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.982 6.887 -9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.621 6.625 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.628 5.419 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.315 7.514 -13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.829 7.141 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.442 8.692 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.986 9.015 -11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.385 10.747 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.813 9.933 -13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.318 9.619 -12.371 1.00 0.00 H new ATOM 940 N GLY A 61 3.410 2.675 -9.723 1.00 0.00 N ATOM 941 CA GLY A 61 3.175 1.445 -10.453 1.00 0.00 C ATOM 942 C GLY A 61 4.159 0.365 -10.063 1.00 0.00 C ATOM 943 O GLY A 61 4.749 -0.294 -10.920 1.00 0.00 O ATOM 0 H GLY A 61 2.821 2.805 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.159 1.098 -10.263 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.251 1.637 -11.523 1.00 0.00 H new ATOM 947 N LEU A 62 4.352 0.186 -8.764 1.00 0.00 N ATOM 948 CA LEU A 62 5.288 -0.807 -8.282 1.00 0.00 C ATOM 949 C LEU A 62 4.556 -1.901 -7.515 1.00 0.00 C ATOM 950 O LEU A 62 3.651 -1.629 -6.722 1.00 0.00 O ATOM 951 CB LEU A 62 6.388 -0.171 -7.415 1.00 0.00 C ATOM 952 CG LEU A 62 6.027 0.157 -5.962 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.279 0.562 -5.198 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.990 1.268 -5.875 1.00 0.00 C ATOM 0 H LEU A 62 3.874 0.714 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 62 5.774 -1.257 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.245 -0.845 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.711 0.750 -7.900 1.00 0.00 H new ATOM 0 HG LEU A 62 5.595 -0.739 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.016 0.794 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.996 -0.258 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.722 1.441 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.761 1.471 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.384 2.171 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.081 0.959 -6.392 1.00 0.00 H new ATOM 966 N VAL A 63 4.936 -3.136 -7.786 1.00 0.00 N ATOM 967 CA VAL A 63 4.357 -4.287 -7.115 1.00 0.00 C ATOM 968 C VAL A 63 5.147 -4.600 -5.858 1.00 0.00 C ATOM 969 O VAL A 63 6.346 -4.879 -5.921 1.00 0.00 O ATOM 970 CB VAL A 63 4.344 -5.535 -8.023 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.654 -6.703 -7.331 1.00 0.00 C ATOM 972 CG2 VAL A 63 3.674 -5.226 -9.350 1.00 0.00 C ATOM 0 H VAL A 63 5.652 -3.370 -8.474 1.00 0.00 H new ATOM 0 HA VAL A 63 3.327 -4.035 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 63 5.377 -5.821 -8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.658 -7.571 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.185 -6.945 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.625 -6.430 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.675 -6.119 -9.975 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.646 -4.908 -9.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.219 -4.428 -9.856 1.00 0.00 H new ATOM 982 N LEU A 64 4.479 -4.539 -4.723 1.00 0.00 N ATOM 983 CA LEU A 64 5.135 -4.781 -3.447 1.00 0.00 C ATOM 984 C LEU A 64 4.378 -5.784 -2.604 1.00 0.00 C ATOM 985 O LEU A 64 3.149 -5.871 -2.667 1.00 0.00 O ATOM 986 CB LEU A 64 5.299 -3.480 -2.661 1.00 0.00 C ATOM 987 CG LEU A 64 6.498 -2.632 -3.072 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.442 -1.266 -2.406 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.790 -3.355 -2.713 1.00 0.00 C ATOM 0 H LEU A 64 3.484 -4.325 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 64 6.118 -5.194 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.393 -2.885 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.388 -3.721 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 64 6.469 -2.481 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.306 -0.676 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.528 -0.753 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.452 -1.389 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.643 -2.744 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.823 -3.528 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.829 -4.311 -3.235 1.00 0.00 H new ATOM 1001 N ARG A 65 5.126 -6.550 -1.829 1.00 0.00 N ATOM 1002 CA ARG A 65 4.536 -7.435 -0.845 1.00 0.00 C ATOM 1003 C ARG A 65 3.833 -6.623 0.226 1.00 0.00 C ATOM 1004 O ARG A 65 4.406 -5.700 0.807 1.00 0.00 O ATOM 1005 CB ARG A 65 5.595 -8.330 -0.204 1.00 0.00 C ATOM 1006 CG ARG A 65 6.919 -7.629 0.052 1.00 0.00 C ATOM 1007 CD ARG A 65 7.832 -8.457 0.947 1.00 0.00 C ATOM 1008 NE ARG A 65 7.840 -9.869 0.567 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.864 -10.485 -0.024 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.981 -9.822 -0.302 1.00 0.00 N ATOM 1011 NH2 ARG A 65 8.767 -11.770 -0.333 1.00 0.00 N ATOM 0 H ARG A 65 6.145 -6.575 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 65 3.812 -8.072 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.209 -8.714 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.769 -9.190 -0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.418 -7.436 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.734 -6.661 0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.846 -8.062 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.507 -8.362 1.983 1.00 0.00 H new ATOM 0 HE ARG A 65 7.005 -10.420 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.060 -8.834 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.759 -10.301 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.912 -12.283 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.547 -12.246 -0.785 1.00 0.00 H new ATOM 1025 N THR A 66 2.602 -6.988 0.505 1.00 0.00 N ATOM 1026 CA THR A 66 1.783 -6.262 1.453 1.00 0.00 C ATOM 1027 C THR A 66 2.048 -6.754 2.884 1.00 0.00 C ATOM 1028 O THR A 66 1.182 -6.687 3.757 1.00 0.00 O ATOM 1029 CB THR A 66 0.288 -6.402 1.077 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.536 -5.657 1.978 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.142 -7.862 1.068 1.00 0.00 C ATOM 0 H THR A 66 2.140 -7.794 0.083 1.00 0.00 H new ATOM 0 HA THR A 66 2.047 -5.205 1.414 1.00 0.00 H new ATOM 0 HB THR A 66 0.164 -5.999 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.023 -5.436 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.197 -7.929 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.453 -8.412 0.339 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.009 -8.292 2.058 1.00 0.00 H new ATOM 1039 N GLU A 67 3.279 -7.199 3.131 1.00 0.00 N ATOM 1040 CA GLU A 67 3.645 -7.742 4.432 1.00 0.00 C ATOM 1041 C GLU A 67 4.110 -6.625 5.338 1.00 0.00 C ATOM 1042 O GLU A 67 4.106 -6.739 6.563 1.00 0.00 O ATOM 1043 CB GLU A 67 4.753 -8.777 4.279 1.00 0.00 C ATOM 1044 CG GLU A 67 4.446 -9.809 3.217 1.00 0.00 C ATOM 1045 CD GLU A 67 5.282 -11.061 3.363 1.00 0.00 C ATOM 1046 OE1 GLU A 67 4.991 -11.870 4.268 1.00 0.00 O ATOM 1047 OE2 GLU A 67 6.239 -11.244 2.580 1.00 0.00 O ATOM 0 H GLU A 67 4.036 -7.193 2.447 1.00 0.00 H new ATOM 0 HA GLU A 67 2.772 -8.224 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.685 -8.271 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.909 -9.280 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.390 -10.074 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.619 -9.374 2.233 1.00 0.00 H new ATOM 1054 N PHE A 68 4.511 -5.544 4.708 1.00 0.00 N ATOM 1055 CA PHE A 68 4.993 -4.379 5.424 1.00 0.00 C ATOM 1056 C PHE A 68 4.102 -3.176 5.149 1.00 0.00 C ATOM 1057 O PHE A 68 4.483 -2.028 5.395 1.00 0.00 O ATOM 1058 CB PHE A 68 6.449 -4.089 5.042 1.00 0.00 C ATOM 1059 CG PHE A 68 6.684 -3.842 3.576 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.412 -2.608 3.009 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.202 -4.842 2.773 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.648 -2.379 1.668 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.436 -4.619 1.430 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.160 -3.384 0.877 1.00 0.00 C ATOM 0 H PHE A 68 4.514 -5.445 3.693 1.00 0.00 H new ATOM 0 HA PHE A 68 4.956 -4.583 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.789 -3.217 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.066 -4.930 5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.011 -1.815 3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.426 -5.808 3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.431 -1.412 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.835 -5.410 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.345 -3.207 -0.172 1.00 0.00 H new ATOM 1074 N LEU A 69 2.898 -3.448 4.666 1.00 0.00 N ATOM 1075 CA LEU A 69 1.963 -2.392 4.332 1.00 0.00 C ATOM 1076 C LEU A 69 0.746 -2.471 5.230 1.00 0.00 C ATOM 1077 O LEU A 69 0.358 -3.549 5.681 1.00 0.00 O ATOM 1078 CB LEU A 69 1.544 -2.484 2.863 1.00 0.00 C ATOM 1079 CG LEU A 69 2.690 -2.414 1.851 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.186 -2.716 0.452 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.354 -1.045 1.889 1.00 0.00 C ATOM 0 H LEU A 69 2.549 -4.392 4.498 1.00 0.00 H new ATOM 0 HA LEU A 69 2.456 -1.433 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.006 -3.420 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.844 -1.676 2.651 1.00 0.00 H new ATOM 0 HG LEU A 69 3.431 -3.166 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.015 -2.661 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.755 -3.717 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.425 -1.987 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.166 -1.014 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.620 -0.278 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.752 -0.861 2.887 1.00 0.00 H new ATOM 1093 N LYS A 70 0.173 -1.321 5.509 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.994 -1.227 6.363 1.00 0.00 C ATOM 1095 C LYS A 70 -2.106 -0.498 5.633 1.00 0.00 C ATOM 1096 O LYS A 70 -1.890 0.590 5.108 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.632 -0.474 7.641 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.201 -1.112 8.894 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.720 -1.039 8.934 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.207 0.299 9.465 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.692 0.407 9.440 1.00 0.00 N ATOM 0 H LYS A 70 0.502 -0.424 5.151 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.335 -2.230 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.453 -0.422 7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.995 0.551 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.887 -2.155 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.791 -0.613 9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.118 -1.199 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.106 -1.842 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.852 0.434 10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.776 1.103 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.977 1.348 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.034 0.271 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.104 -0.323 10.056 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.288 -1.092 5.603 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.417 -0.486 4.913 1.00 0.00 C ATOM 1117 C LYS A 71 -4.817 0.798 5.623 1.00 0.00 C ATOM 1118 O LYS A 71 -5.177 0.783 6.801 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.597 -1.463 4.830 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.726 -0.992 3.921 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.787 -0.208 4.680 1.00 0.00 C ATOM 1122 CE LYS A 71 -8.793 0.436 3.737 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.387 -0.542 2.790 1.00 0.00 N ATOM 0 H LYS A 71 -3.491 -1.988 6.046 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.122 -0.245 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.234 -2.426 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.994 -1.624 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.315 -0.369 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.188 -1.855 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.308 -0.873 5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.308 0.563 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.587 0.902 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.303 1.231 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.171 -0.094 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.662 -0.855 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.745 -1.363 3.318 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.736 1.902 4.900 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.934 3.220 5.478 1.00 0.00 C ATOM 1139 C ALA A 72 -6.393 3.451 5.842 1.00 0.00 C ATOM 1140 O ALA A 72 -6.736 3.602 7.016 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.444 4.288 4.514 1.00 0.00 C ATOM 0 H ALA A 72 -4.532 1.910 3.901 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.353 3.281 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.596 5.273 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.383 4.139 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.001 4.218 3.580 1.00 0.00 H new ATOM 1147 N GLY A 73 -7.250 3.480 4.836 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.659 3.684 5.079 1.00 0.00 C ATOM 1149 C GLY A 73 -9.153 4.976 4.471 1.00 0.00 C ATOM 1150 O GLY A 73 -9.355 5.968 5.173 1.00 0.00 O ATOM 0 H GLY A 73 -6.995 3.366 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.224 2.849 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.845 3.694 6.153 1.00 0.00 H new ATOM 1154 N SER A 74 -9.311 4.975 3.161 1.00 0.00 N ATOM 1155 CA SER A 74 -9.814 6.131 2.447 1.00 0.00 C ATOM 1156 C SER A 74 -10.573 5.671 1.208 1.00 0.00 C ATOM 1157 O SER A 74 -11.821 5.692 1.235 1.00 0.00 O ATOM 1158 CB SER A 74 -8.662 7.065 2.066 1.00 0.00 C ATOM 1159 OG SER A 74 -7.950 7.477 3.224 1.00 0.00 O ATOM 1160 OXT SER A 74 -9.922 5.247 0.231 1.00 0.00 O ATOM 0 H SER A 74 -9.095 4.176 2.565 1.00 0.00 H new ATOM 0 HA SER A 74 -10.496 6.686 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.986 6.556 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.052 7.938 1.542 1.00 0.00 H new ATOM 0 HG SER A 74 -7.216 8.072 2.963 1.00 0.00 H new TER 1166 SER A 74