USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 761 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.029) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.337 (180deg=-1.6!) USER MOD Single : A 20 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.325 USER MOD Single : A 28 ASN : amide:sc=-0.00149 X(o=-0.0015,f=-0.15) USER MOD Single : A 33 THR OG1 : rot 99:sc= 0.421 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 45 GLN : amide:sc= 0.121 X(o=0.12,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0205) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -54:sc= -2.72! USER MOD Single : A 60 HIS : no HD1:sc= -6.35! C(o=-6.4!,f=-6.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.995 USER MOD Single : A 84 HIS : no HD1:sc= -0.165 X(o=-0.16,f=0.0038) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -11.501 -3.750 9.402 1.00 0.00 N ATOM 21 CA LEU A 2 -11.937 -3.872 8.016 1.00 0.00 C ATOM 22 C LEU A 2 -11.264 -5.058 7.335 1.00 0.00 C ATOM 23 O LEU A 2 -10.481 -5.780 7.954 1.00 0.00 O ATOM 24 CB LEU A 2 -11.626 -2.586 7.247 1.00 0.00 C ATOM 25 CG LEU A 2 -12.147 -1.303 7.897 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.240 -0.128 7.562 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.574 -1.022 7.449 1.00 0.00 C ATOM 0 HA LEU A 2 -13.014 -4.039 8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.546 -2.503 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.051 -2.667 6.246 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.146 -1.439 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.627 0.776 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.234 -0.328 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.209 0.011 6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.930 -0.106 7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.599 -0.906 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.217 -1.853 7.740 1.00 0.00 H new ATOM 39 N LYS A 3 -11.575 -5.257 6.059 1.00 0.00 N ATOM 40 CA LYS A 3 -11.000 -6.357 5.293 1.00 0.00 C ATOM 41 C LYS A 3 -9.921 -5.852 4.343 1.00 0.00 C ATOM 42 O LYS A 3 -9.962 -4.707 3.894 1.00 0.00 O ATOM 43 CB LYS A 3 -12.093 -7.081 4.504 1.00 0.00 C ATOM 44 CG LYS A 3 -11.737 -8.515 4.146 1.00 0.00 C ATOM 45 CD LYS A 3 -11.172 -8.613 2.739 1.00 0.00 C ATOM 46 CE LYS A 3 -12.236 -8.340 1.689 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.950 -9.582 1.285 1.00 0.00 N ATOM 0 H LYS A 3 -12.223 -4.671 5.533 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.543 -7.056 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.013 -7.079 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.296 -6.526 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.008 -8.899 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.624 -9.143 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.355 -7.901 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.753 -9.607 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.954 -7.619 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.773 -7.886 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.667 -9.352 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.269 -10.261 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.414 -10.002 2.116 1.00 0.00 H new ATOM 61 N LEU A 4 -8.955 -6.714 4.043 1.00 0.00 N ATOM 62 CA LEU A 4 -7.863 -6.356 3.145 1.00 0.00 C ATOM 63 C LEU A 4 -7.867 -7.243 1.904 1.00 0.00 C ATOM 64 O LEU A 4 -8.173 -8.432 1.980 1.00 0.00 O ATOM 65 CB LEU A 4 -6.519 -6.477 3.866 1.00 0.00 C ATOM 66 CG LEU A 4 -5.382 -5.659 3.255 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.420 -4.228 3.766 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.037 -6.301 3.564 1.00 0.00 C ATOM 0 H LEU A 4 -8.906 -7.665 4.408 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.008 -5.322 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.651 -6.169 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.225 -7.526 3.880 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.514 -5.641 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.603 -3.661 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.371 -3.770 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.313 -4.226 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.239 -5.705 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.897 -6.350 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.011 -7.308 3.149 1.00 0.00 H new ATOM 80 N ASN A 5 -7.526 -6.656 0.763 1.00 0.00 N ATOM 81 CA ASN A 5 -7.490 -7.393 -0.494 1.00 0.00 C ATOM 82 C ASN A 5 -6.170 -7.163 -1.221 1.00 0.00 C ATOM 83 O ASN A 5 -5.366 -6.321 -0.818 1.00 0.00 O ATOM 84 CB ASN A 5 -8.660 -6.975 -1.388 1.00 0.00 C ATOM 85 CG ASN A 5 -9.426 -8.166 -1.931 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.390 -9.257 -1.360 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.123 -7.964 -3.043 1.00 0.00 N ATOM 0 H ASN A 5 -7.271 -5.672 0.682 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.578 -8.455 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.338 -6.338 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.284 -6.379 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.656 -8.729 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.125 -7.044 -3.483 1.00 0.00 H new ATOM 94 N LEU A 6 -5.951 -7.916 -2.294 1.00 0.00 N ATOM 95 CA LEU A 6 -4.727 -7.794 -3.076 1.00 0.00 C ATOM 96 C LEU A 6 -5.036 -7.786 -4.570 1.00 0.00 C ATOM 97 O LEU A 6 -5.525 -8.774 -5.119 1.00 0.00 O ATOM 98 CB LEU A 6 -3.769 -8.940 -2.750 1.00 0.00 C ATOM 99 CG LEU A 6 -3.056 -8.824 -1.401 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.813 -9.594 -0.330 1.00 0.00 C ATOM 101 CD2 LEU A 6 -1.625 -9.328 -1.510 1.00 0.00 C ATOM 0 H LEU A 6 -6.605 -8.617 -2.641 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.252 -6.848 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.327 -9.876 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.017 -9.000 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.030 -7.773 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.292 -9.500 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.820 -9.189 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.871 -10.646 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.133 -9.238 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.630 -10.373 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.085 -8.734 -2.248 1.00 0.00 H new ATOM 113 N LYS A 7 -4.748 -6.665 -5.222 1.00 0.00 N ATOM 114 CA LYS A 7 -4.996 -6.528 -6.653 1.00 0.00 C ATOM 115 C LYS A 7 -3.852 -7.134 -7.461 1.00 0.00 C ATOM 116 O LYS A 7 -2.805 -7.477 -6.915 1.00 0.00 O ATOM 117 CB LYS A 7 -5.173 -5.056 -7.023 1.00 0.00 C ATOM 118 CG LYS A 7 -6.552 -4.505 -6.689 1.00 0.00 C ATOM 119 CD LYS A 7 -7.380 -4.274 -7.943 1.00 0.00 C ATOM 120 CE LYS A 7 -8.646 -3.489 -7.638 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.834 -4.378 -7.513 1.00 0.00 N ATOM 0 H LYS A 7 -4.343 -5.838 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.913 -7.067 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.419 -4.466 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.991 -4.934 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.073 -5.201 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.448 -3.567 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.784 -3.734 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.644 -5.233 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.512 -2.930 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.820 -2.759 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.676 -3.805 -7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.977 -4.893 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.679 -5.058 -6.742 1.00 0.00 H new ATOM 135 N LYS A 8 -4.064 -7.261 -8.767 1.00 0.00 N ATOM 136 CA LYS A 8 -3.051 -7.825 -9.654 1.00 0.00 C ATOM 137 C LYS A 8 -1.770 -6.997 -9.613 1.00 0.00 C ATOM 138 O LYS A 8 -0.672 -7.526 -9.787 1.00 0.00 O ATOM 139 CB LYS A 8 -3.585 -7.901 -11.087 1.00 0.00 C ATOM 140 CG LYS A 8 -3.422 -9.272 -11.724 1.00 0.00 C ATOM 141 CD LYS A 8 -4.656 -9.664 -12.523 1.00 0.00 C ATOM 142 CE LYS A 8 -4.702 -11.163 -12.777 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.024 -11.597 -13.306 1.00 0.00 N ATOM 0 H LYS A 8 -4.926 -6.982 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.818 -8.832 -9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.641 -7.633 -11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.068 -7.161 -11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.549 -9.270 -12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.238 -10.015 -10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.552 -9.357 -11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.659 -9.132 -13.475 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.920 -11.435 -13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.490 -11.695 -11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.014 -12.625 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.768 -11.361 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.216 -11.109 -14.204 1.00 0.00 H new ATOM 157 N SER A 9 -1.918 -5.696 -9.384 1.00 0.00 N ATOM 158 CA SER A 9 -0.773 -4.795 -9.322 1.00 0.00 C ATOM 159 C SER A 9 0.008 -4.997 -8.029 1.00 0.00 C ATOM 160 O SER A 9 1.236 -5.090 -8.041 1.00 0.00 O ATOM 161 CB SER A 9 -1.235 -3.342 -9.430 1.00 0.00 C ATOM 162 OG SER A 9 -2.015 -3.139 -10.595 1.00 0.00 O ATOM 0 H SER A 9 -2.820 -5.242 -9.238 1.00 0.00 H new ATOM 0 HA SER A 9 -0.116 -5.024 -10.162 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.818 -3.076 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.368 -2.682 -9.450 1.00 0.00 H new ATOM 0 HG SER A 9 -2.299 -2.202 -10.639 1.00 0.00 H new ATOM 168 N PHE A 10 -0.709 -5.065 -6.912 1.00 0.00 N ATOM 169 CA PHE A 10 -0.080 -5.256 -5.610 1.00 0.00 C ATOM 170 C PHE A 10 0.681 -6.577 -5.562 1.00 0.00 C ATOM 171 O PHE A 10 1.677 -6.705 -4.851 1.00 0.00 O ATOM 172 CB PHE A 10 -1.134 -5.221 -4.502 1.00 0.00 C ATOM 173 CG PHE A 10 -0.556 -5.020 -3.130 1.00 0.00 C ATOM 174 CD1 PHE A 10 0.116 -3.851 -2.811 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.686 -6.001 -2.160 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.649 -3.665 -1.550 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.155 -5.818 -0.896 1.00 0.00 C ATOM 178 CZ PHE A 10 0.513 -4.649 -0.591 1.00 0.00 C ATOM 0 H PHE A 10 -1.726 -4.991 -6.882 1.00 0.00 H new ATOM 0 HA PHE A 10 0.629 -4.443 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.842 -4.419 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.697 -6.154 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.224 -3.077 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.207 -6.918 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.172 -2.750 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.263 -6.589 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.928 -4.504 0.395 1.00 0.00 H new ATOM 188 N GLN A 11 0.204 -7.558 -6.322 1.00 0.00 N ATOM 189 CA GLN A 11 0.838 -8.870 -6.367 1.00 0.00 C ATOM 190 C GLN A 11 2.286 -8.760 -6.834 1.00 0.00 C ATOM 191 O GLN A 11 3.201 -9.244 -6.168 1.00 0.00 O ATOM 192 CB GLN A 11 0.060 -9.804 -7.297 1.00 0.00 C ATOM 193 CG GLN A 11 -1.233 -10.327 -6.690 1.00 0.00 C ATOM 194 CD GLN A 11 -1.922 -11.346 -7.577 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.396 -12.434 -7.816 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.105 -10.999 -8.070 1.00 0.00 N ATOM 0 H GLN A 11 -0.621 -7.468 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 11 0.831 -9.283 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.170 -9.274 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.695 -10.649 -7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.019 -10.779 -5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.909 -9.492 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.503 -10.087 -7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.615 -11.644 -8.673 1.00 0.00 H new ATOM 205 N LYS A 12 2.486 -8.125 -7.985 1.00 0.00 N ATOM 206 CA LYS A 12 3.825 -7.954 -8.540 1.00 0.00 C ATOM 207 C LYS A 12 4.577 -6.824 -7.838 1.00 0.00 C ATOM 208 O LYS A 12 5.798 -6.716 -7.940 1.00 0.00 O ATOM 209 CB LYS A 12 3.743 -7.671 -10.041 1.00 0.00 C ATOM 210 CG LYS A 12 2.972 -6.405 -10.381 1.00 0.00 C ATOM 211 CD LYS A 12 3.713 -5.552 -11.401 1.00 0.00 C ATOM 212 CE LYS A 12 2.896 -5.361 -12.670 1.00 0.00 C ATOM 213 NZ LYS A 12 3.753 -5.378 -13.888 1.00 0.00 N ATOM 0 H LYS A 12 1.740 -7.721 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 12 4.375 -8.881 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.753 -7.590 -10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.270 -8.519 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.990 -6.671 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.806 -5.825 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.942 -4.580 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.665 -6.023 -11.648 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.147 -6.149 -12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.358 -4.414 -12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.160 -5.245 -14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.452 -4.610 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.247 -6.291 -13.952 1.00 0.00 H new ATOM 227 N ASP A 13 3.839 -5.982 -7.127 1.00 0.00 N ATOM 228 CA ASP A 13 4.435 -4.862 -6.408 1.00 0.00 C ATOM 229 C ASP A 13 4.811 -5.267 -4.985 1.00 0.00 C ATOM 230 O ASP A 13 5.597 -4.588 -4.323 1.00 0.00 O ATOM 231 CB ASP A 13 3.464 -3.681 -6.373 1.00 0.00 C ATOM 232 CG ASP A 13 3.542 -2.832 -7.626 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.982 -3.356 -8.673 1.00 0.00 O ATOM 234 OD2 ASP A 13 3.164 -1.643 -7.564 1.00 0.00 O ATOM 0 H ASP A 13 2.826 -6.053 -7.032 1.00 0.00 H new ATOM 0 HA ASP A 13 5.342 -4.565 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.447 -4.054 -6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.681 -3.061 -5.503 1.00 0.00 H new ATOM 239 N PHE A 14 4.238 -6.370 -4.516 1.00 0.00 N ATOM 240 CA PHE A 14 4.501 -6.864 -3.175 1.00 0.00 C ATOM 241 C PHE A 14 5.669 -7.844 -3.164 1.00 0.00 C ATOM 242 O PHE A 14 6.721 -7.558 -2.602 1.00 0.00 O ATOM 243 CB PHE A 14 3.247 -7.533 -2.603 1.00 0.00 C ATOM 244 CG PHE A 14 3.475 -8.223 -1.286 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.643 -7.488 -0.125 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.523 -9.606 -1.214 1.00 0.00 C ATOM 247 CE1 PHE A 14 3.854 -8.120 1.087 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.732 -10.243 -0.007 1.00 0.00 C ATOM 249 CZ PHE A 14 3.899 -9.499 1.146 1.00 0.00 C ATOM 0 H PHE A 14 3.584 -6.941 -5.052 1.00 0.00 H new ATOM 0 HA PHE A 14 4.770 -6.012 -2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.469 -6.780 -2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.873 -8.260 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.609 -6.409 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.395 -10.192 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.983 -7.536 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.765 -11.322 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.064 -9.995 2.091 1.00 0.00 H new ATOM 259 N ASP A 15 5.464 -9.010 -3.765 1.00 0.00 N ATOM 260 CA ASP A 15 6.492 -10.044 -3.805 1.00 0.00 C ATOM 261 C ASP A 15 7.382 -9.931 -5.041 1.00 0.00 C ATOM 262 O ASP A 15 8.597 -10.112 -4.950 1.00 0.00 O ATOM 263 CB ASP A 15 5.844 -11.431 -3.758 1.00 0.00 C ATOM 264 CG ASP A 15 5.685 -11.946 -2.341 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.419 -11.470 -1.449 1.00 0.00 O ATOM 266 OD2 ASP A 15 4.826 -12.826 -2.123 1.00 0.00 O ATOM 0 H ASP A 15 4.594 -9.264 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 15 7.127 -9.901 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.866 -11.389 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.451 -12.132 -4.331 1.00 0.00 H new ATOM 271 N LYS A 16 6.785 -9.651 -6.197 1.00 0.00 N ATOM 272 CA LYS A 16 7.558 -9.546 -7.432 1.00 0.00 C ATOM 273 C LYS A 16 8.437 -8.301 -7.428 1.00 0.00 C ATOM 274 O LYS A 16 9.458 -8.251 -8.113 1.00 0.00 O ATOM 275 CB LYS A 16 6.638 -9.543 -8.653 1.00 0.00 C ATOM 276 CG LYS A 16 7.321 -10.018 -9.928 1.00 0.00 C ATOM 277 CD LYS A 16 7.082 -11.498 -10.169 1.00 0.00 C ATOM 278 CE LYS A 16 8.304 -12.327 -9.805 1.00 0.00 C ATOM 279 NZ LYS A 16 9.544 -11.802 -10.442 1.00 0.00 N ATOM 0 H LYS A 16 5.783 -9.495 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 16 8.207 -10.420 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.778 -10.181 -8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.257 -8.534 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.948 -9.445 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.392 -9.828 -9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.227 -11.830 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.830 -11.661 -11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.428 -12.334 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.147 -13.360 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.231 -12.575 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.314 -11.407 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.954 -11.057 -9.843 1.00 0.00 H new ATOM 293 N LEU A 17 8.049 -7.302 -6.642 1.00 0.00 N ATOM 294 CA LEU A 17 8.818 -6.074 -6.545 1.00 0.00 C ATOM 295 C LEU A 17 10.091 -6.324 -5.747 1.00 0.00 C ATOM 296 O LEU A 17 11.143 -5.753 -6.037 1.00 0.00 O ATOM 297 CB LEU A 17 7.986 -4.979 -5.877 1.00 0.00 C ATOM 298 CG LEU A 17 8.766 -3.738 -5.453 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.232 -2.956 -6.671 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.918 -2.861 -4.543 1.00 0.00 C ATOM 0 H LEU A 17 7.208 -7.322 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 17 9.085 -5.744 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.196 -4.675 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.499 -5.400 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 17 9.647 -4.059 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.786 -2.075 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.877 -3.586 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.367 -2.646 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.490 -1.980 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.018 -2.549 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.638 -3.424 -3.653 1.00 0.00 H new ATOM 312 N LEU A 18 9.983 -7.187 -4.742 1.00 0.00 N ATOM 313 CA LEU A 18 11.129 -7.519 -3.899 1.00 0.00 C ATOM 314 C LEU A 18 12.273 -8.080 -4.735 1.00 0.00 C ATOM 315 O LEU A 18 13.434 -7.719 -4.541 1.00 0.00 O ATOM 316 CB LEU A 18 10.732 -8.529 -2.817 1.00 0.00 C ATOM 317 CG LEU A 18 9.876 -7.983 -1.664 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.201 -6.674 -2.050 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.848 -9.018 -1.231 1.00 0.00 C ATOM 0 H LEU A 18 9.119 -7.668 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 18 11.465 -6.601 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.187 -9.345 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.642 -8.956 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 18 10.535 -7.777 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.603 -6.313 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.960 -5.933 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.556 -6.838 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.249 -8.616 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.198 -9.259 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.359 -9.921 -0.897 1.00 0.00 H new ATOM 331 N LEU A 19 11.937 -8.965 -5.669 1.00 0.00 N ATOM 332 CA LEU A 19 12.936 -9.575 -6.539 1.00 0.00 C ATOM 333 C LEU A 19 13.329 -8.637 -7.680 1.00 0.00 C ATOM 334 O LEU A 19 14.223 -8.947 -8.467 1.00 0.00 O ATOM 335 CB LEU A 19 12.405 -10.893 -7.109 1.00 0.00 C ATOM 336 CG LEU A 19 11.868 -11.877 -6.070 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.046 -12.967 -6.743 1.00 0.00 C ATOM 338 CD2 LEU A 19 13.011 -12.485 -5.272 1.00 0.00 C ATOM 0 H LEU A 19 10.981 -9.275 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 19 13.825 -9.771 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.610 -10.670 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.205 -11.378 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 19 11.220 -11.333 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.672 -13.659 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.206 -12.516 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.671 -13.508 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.611 -13.183 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.684 -13.015 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.559 -11.694 -4.760 1.00 0.00 H new ATOM 350 N ASN A 20 12.659 -7.489 -7.769 1.00 0.00 N ATOM 351 CA ASN A 20 12.947 -6.517 -8.815 1.00 0.00 C ATOM 352 C ASN A 20 13.892 -5.427 -8.310 1.00 0.00 C ATOM 353 O ASN A 20 13.936 -4.327 -8.861 1.00 0.00 O ATOM 354 CB ASN A 20 11.649 -5.885 -9.325 1.00 0.00 C ATOM 355 CG ASN A 20 11.603 -5.803 -10.839 1.00 0.00 C ATOM 356 OD1 ASN A 20 10.569 -6.064 -11.455 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.726 -5.439 -11.447 1.00 0.00 N ATOM 0 H ASN A 20 11.915 -7.212 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 20 13.437 -7.043 -9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.800 -6.468 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.546 -4.884 -8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.755 -5.366 -12.464 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.560 -5.232 -10.897 1.00 0.00 H new ATOM 364 N GLY A 21 14.650 -5.742 -7.264 1.00 0.00 N ATOM 365 CA GLY A 21 15.584 -4.778 -6.709 1.00 0.00 C ATOM 366 C GLY A 21 15.020 -4.033 -5.514 1.00 0.00 C ATOM 367 O GLY A 21 15.474 -2.935 -5.191 1.00 0.00 O ATOM 0 H GLY A 21 14.635 -6.646 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.497 -5.294 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.860 -4.060 -7.482 1.00 0.00 H new ATOM 371 N PHE A 22 14.033 -4.629 -4.851 1.00 0.00 N ATOM 372 CA PHE A 22 13.417 -4.010 -3.682 1.00 0.00 C ATOM 373 C PHE A 22 13.701 -4.825 -2.423 1.00 0.00 C ATOM 374 O PHE A 22 13.634 -6.054 -2.439 1.00 0.00 O ATOM 375 CB PHE A 22 11.905 -3.866 -3.889 1.00 0.00 C ATOM 376 CG PHE A 22 11.201 -3.216 -2.732 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.021 -3.900 -1.540 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.721 -1.921 -2.837 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.373 -3.303 -0.475 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.075 -1.319 -1.774 1.00 0.00 C ATOM 381 CZ PHE A 22 9.900 -2.011 -0.592 1.00 0.00 C ATOM 0 H PHE A 22 13.644 -5.538 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 22 13.851 -3.018 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.724 -3.280 -4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.474 -4.853 -4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.391 -4.910 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.853 -1.376 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.237 -3.847 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.707 -0.308 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.394 -1.543 0.239 1.00 0.00 H new ATOM 391 N ASP A 23 14.022 -4.130 -1.336 1.00 0.00 N ATOM 392 CA ASP A 23 14.320 -4.789 -0.067 1.00 0.00 C ATOM 393 C ASP A 23 13.068 -4.905 0.797 1.00 0.00 C ATOM 394 O ASP A 23 12.459 -3.900 1.164 1.00 0.00 O ATOM 395 CB ASP A 23 15.405 -4.018 0.688 1.00 0.00 C ATOM 396 CG ASP A 23 16.349 -4.935 1.438 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.861 -5.852 2.133 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.579 -4.738 1.332 1.00 0.00 O ATOM 0 H ASP A 23 14.083 -3.112 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 23 14.681 -5.794 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.975 -3.413 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.936 -3.330 1.391 1.00 0.00 H new ATOM 403 N ASP A 24 12.692 -6.137 1.121 1.00 0.00 N ATOM 404 CA ASP A 24 11.513 -6.392 1.942 1.00 0.00 C ATOM 405 C ASP A 24 11.627 -5.718 3.310 1.00 0.00 C ATOM 406 O ASP A 24 10.627 -5.523 3.997 1.00 0.00 O ATOM 407 CB ASP A 24 11.309 -7.896 2.123 1.00 0.00 C ATOM 408 CG ASP A 24 12.524 -8.578 2.724 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.633 -8.402 2.178 1.00 0.00 O ATOM 410 OD2 ASP A 24 12.364 -9.284 3.742 1.00 0.00 O ATOM 0 H ASP A 24 13.188 -6.978 0.827 1.00 0.00 H new ATOM 0 HA ASP A 24 10.652 -5.969 1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.445 -8.068 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.083 -8.348 1.157 1.00 0.00 H new ATOM 415 N SER A 25 12.852 -5.367 3.702 1.00 0.00 N ATOM 416 CA SER A 25 13.091 -4.718 4.990 1.00 0.00 C ATOM 417 C SER A 25 12.104 -3.576 5.228 1.00 0.00 C ATOM 418 O SER A 25 11.489 -3.488 6.291 1.00 0.00 O ATOM 419 CB SER A 25 14.524 -4.189 5.057 1.00 0.00 C ATOM 420 OG SER A 25 14.640 -2.941 4.391 1.00 0.00 O ATOM 0 H SER A 25 13.693 -5.521 3.146 1.00 0.00 H new ATOM 0 HA SER A 25 12.944 -5.463 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.826 -4.078 6.099 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.203 -4.911 4.604 1.00 0.00 H new ATOM 0 HG SER A 25 15.565 -2.624 4.450 1.00 0.00 H new ATOM 426 N VAL A 26 11.960 -2.707 4.235 1.00 0.00 N ATOM 427 CA VAL A 26 11.049 -1.574 4.340 1.00 0.00 C ATOM 428 C VAL A 26 9.598 -2.022 4.207 1.00 0.00 C ATOM 429 O VAL A 26 8.702 -1.464 4.840 1.00 0.00 O ATOM 430 CB VAL A 26 11.344 -0.511 3.266 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.517 0.741 3.512 1.00 0.00 C ATOM 432 CG2 VAL A 26 12.830 -0.182 3.237 1.00 0.00 C ATOM 0 H VAL A 26 12.462 -2.765 3.349 1.00 0.00 H new ATOM 0 HA VAL A 26 11.205 -1.136 5.326 1.00 0.00 H new ATOM 0 HB VAL A 26 11.065 -0.915 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.739 1.481 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.457 0.489 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.761 1.152 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.021 0.571 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.137 0.203 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.398 -1.084 3.008 1.00 0.00 H new ATOM 442 N LEU A 27 9.374 -3.034 3.376 1.00 0.00 N ATOM 443 CA LEU A 27 8.035 -3.561 3.154 1.00 0.00 C ATOM 444 C LEU A 27 7.479 -4.182 4.435 1.00 0.00 C ATOM 445 O LEU A 27 6.295 -4.043 4.741 1.00 0.00 O ATOM 446 CB LEU A 27 8.063 -4.596 2.018 1.00 0.00 C ATOM 447 CG LEU A 27 6.974 -5.669 2.071 1.00 0.00 C ATOM 448 CD1 LEU A 27 5.599 -5.046 1.904 1.00 0.00 C ATOM 449 CD2 LEU A 27 7.216 -6.724 1.003 1.00 0.00 C ATOM 0 H LEU A 27 10.105 -3.506 2.844 1.00 0.00 H new ATOM 0 HA LEU A 27 7.378 -2.740 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.981 -4.068 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.035 -5.090 2.025 1.00 0.00 H new ATOM 0 HG LEU A 27 7.014 -6.151 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.839 -5.826 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.425 -4.328 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.545 -4.536 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.432 -7.480 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.204 -6.255 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.185 -7.194 1.169 1.00 0.00 H new ATOM 461 N ASN A 28 8.344 -4.867 5.176 1.00 0.00 N ATOM 462 CA ASN A 28 7.941 -5.510 6.424 1.00 0.00 C ATOM 463 C ASN A 28 7.290 -4.509 7.375 1.00 0.00 C ATOM 464 O ASN A 28 6.287 -4.813 8.018 1.00 0.00 O ATOM 465 CB ASN A 28 9.152 -6.161 7.096 1.00 0.00 C ATOM 466 CG ASN A 28 8.867 -7.577 7.557 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.779 -7.874 8.051 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.845 -8.459 7.398 1.00 0.00 N ATOM 0 H ASN A 28 9.327 -4.992 4.935 1.00 0.00 H new ATOM 0 HA ASN A 28 7.206 -6.279 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.989 -6.171 6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.457 -5.558 7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.711 -9.427 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.731 -8.169 6.984 1.00 0.00 H new ATOM 475 N GLU A 29 7.868 -3.317 7.457 1.00 0.00 N ATOM 476 CA GLU A 29 7.345 -2.270 8.330 1.00 0.00 C ATOM 477 C GLU A 29 6.012 -1.728 7.814 1.00 0.00 C ATOM 478 O GLU A 29 5.315 -0.999 8.520 1.00 0.00 O ATOM 479 CB GLU A 29 8.356 -1.129 8.453 1.00 0.00 C ATOM 480 CG GLU A 29 9.491 -1.424 9.420 1.00 0.00 C ATOM 481 CD GLU A 29 9.863 -0.221 10.265 1.00 0.00 C ATOM 482 OE1 GLU A 29 8.967 0.597 10.561 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.050 -0.097 10.632 1.00 0.00 O ATOM 0 H GLU A 29 8.699 -3.050 6.930 1.00 0.00 H new ATOM 0 HA GLU A 29 7.176 -2.711 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.774 -0.917 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.837 -0.228 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.202 -2.247 10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.365 -1.754 8.859 1.00 0.00 H new ATOM 490 N VAL A 30 5.664 -2.076 6.578 1.00 0.00 N ATOM 491 CA VAL A 30 4.418 -1.615 5.975 1.00 0.00 C ATOM 492 C VAL A 30 3.268 -2.585 6.243 1.00 0.00 C ATOM 493 O VAL A 30 2.348 -2.279 7.001 1.00 0.00 O ATOM 494 CB VAL A 30 4.575 -1.426 4.453 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.267 -0.964 3.826 1.00 0.00 C ATOM 496 CG2 VAL A 30 5.695 -0.444 4.151 1.00 0.00 C ATOM 0 H VAL A 30 6.227 -2.675 5.975 1.00 0.00 H new ATOM 0 HA VAL A 30 4.183 -0.656 6.437 1.00 0.00 H new ATOM 0 HB VAL A 30 4.836 -2.389 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.403 -0.838 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.493 -1.709 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.967 -0.014 4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.792 -0.323 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.466 0.520 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.632 -0.824 4.559 1.00 0.00 H new ATOM 506 N ILE A 31 3.323 -3.746 5.598 1.00 0.00 N ATOM 507 CA ILE A 31 2.284 -4.763 5.740 1.00 0.00 C ATOM 508 C ILE A 31 1.957 -5.049 7.208 1.00 0.00 C ATOM 509 O ILE A 31 0.793 -5.232 7.563 1.00 0.00 O ATOM 510 CB ILE A 31 2.696 -6.072 5.019 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.089 -6.110 3.614 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.277 -7.307 5.809 1.00 0.00 C ATOM 513 CD1 ILE A 31 2.466 -4.922 2.757 1.00 0.00 C ATOM 0 H ILE A 31 4.081 -4.008 4.968 1.00 0.00 H new ATOM 0 HA ILE A 31 1.383 -4.367 5.272 1.00 0.00 H new ATOM 0 HB ILE A 31 3.783 -6.083 4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.409 -7.024 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.003 -6.156 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.583 -8.204 5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.754 -7.291 6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.194 -7.310 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.000 -5.018 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.121 -4.005 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.549 -4.886 2.641 1.00 0.00 H new ATOM 525 N LEU A 32 2.980 -5.092 8.057 1.00 0.00 N ATOM 526 CA LEU A 32 2.771 -5.365 9.476 1.00 0.00 C ATOM 527 C LEU A 32 1.911 -4.281 10.132 1.00 0.00 C ATOM 528 O LEU A 32 1.408 -4.470 11.236 1.00 0.00 O ATOM 529 CB LEU A 32 4.116 -5.514 10.206 1.00 0.00 C ATOM 530 CG LEU A 32 4.583 -4.299 11.012 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.940 -4.570 11.644 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.639 -3.063 10.130 1.00 0.00 C ATOM 0 H LEU A 32 3.953 -4.943 7.791 1.00 0.00 H new ATOM 0 HA LEU A 32 2.231 -6.309 9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.048 -6.367 10.881 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.882 -5.751 9.468 1.00 0.00 H new ATOM 0 HG LEU A 32 3.863 -4.116 11.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.257 -3.696 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.866 -5.430 12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.670 -4.778 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.973 -2.210 10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.337 -3.232 9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.647 -2.859 9.726 1.00 0.00 H new ATOM 544 N THR A 33 1.744 -3.149 9.450 1.00 0.00 N ATOM 545 CA THR A 33 0.941 -2.054 9.982 1.00 0.00 C ATOM 546 C THR A 33 -0.519 -2.192 9.554 1.00 0.00 C ATOM 547 O THR A 33 -1.427 -1.760 10.265 1.00 0.00 O ATOM 548 CB THR A 33 1.494 -0.705 9.513 1.00 0.00 C ATOM 549 OG1 THR A 33 2.831 -0.531 9.944 1.00 0.00 O ATOM 550 CG2 THR A 33 0.695 0.478 10.016 1.00 0.00 C ATOM 0 H THR A 33 2.152 -2.968 8.533 1.00 0.00 H new ATOM 0 HA THR A 33 0.991 -2.099 11.070 1.00 0.00 H new ATOM 0 HB THR A 33 1.430 -0.732 8.425 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.442 -0.750 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.141 1.402 9.647 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.332 0.402 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.700 0.483 11.106 1.00 0.00 H new ATOM 558 N LEU A 34 -0.736 -2.787 8.386 1.00 0.00 N ATOM 559 CA LEU A 34 -2.085 -2.973 7.860 1.00 0.00 C ATOM 560 C LEU A 34 -2.694 -4.285 8.342 1.00 0.00 C ATOM 561 O LEU A 34 -3.908 -4.387 8.520 1.00 0.00 O ATOM 562 CB LEU A 34 -2.063 -2.943 6.330 1.00 0.00 C ATOM 563 CG LEU A 34 -1.340 -1.745 5.716 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.825 -2.087 4.327 1.00 0.00 C ATOM 565 CD2 LEU A 34 -2.262 -0.536 5.664 1.00 0.00 C ATOM 0 H LEU A 34 0.004 -3.149 7.785 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.703 -2.155 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.589 -3.857 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.091 -2.953 5.967 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.486 -1.498 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.313 -1.222 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.130 -2.924 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.663 -2.361 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.731 0.308 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.136 -0.771 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.580 -0.278 6.674 1.00 0.00 H new ATOM 577 N ARG A 35 -1.848 -5.287 8.547 1.00 0.00 N ATOM 578 CA ARG A 35 -2.308 -6.595 9.005 1.00 0.00 C ATOM 579 C ARG A 35 -2.244 -6.705 10.527 1.00 0.00 C ATOM 580 O ARG A 35 -2.226 -7.807 11.076 1.00 0.00 O ATOM 581 CB ARG A 35 -1.469 -7.702 8.366 1.00 0.00 C ATOM 582 CG ARG A 35 -1.296 -7.544 6.864 1.00 0.00 C ATOM 583 CD ARG A 35 -0.786 -8.825 6.222 1.00 0.00 C ATOM 584 NE ARG A 35 0.380 -9.361 6.922 1.00 0.00 N ATOM 585 CZ ARG A 35 0.809 -10.615 6.794 1.00 0.00 C ATOM 586 NH1 ARG A 35 0.170 -11.464 5.997 1.00 0.00 N ATOM 587 NH2 ARG A 35 1.878 -11.021 7.463 1.00 0.00 N ATOM 0 H ARG A 35 -0.840 -5.220 8.404 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.348 -6.710 8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.486 -7.719 8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.937 -8.665 8.570 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.249 -7.265 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.598 -6.732 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.581 -9.570 6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.527 -8.631 5.181 1.00 0.00 H new ATOM 0 HE ARG A 35 0.895 -8.738 7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.653 -11.156 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.503 -12.424 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.372 -10.373 8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.207 -11.982 7.365 1.00 0.00 H new ATOM 601 N LYS A 36 -2.207 -5.562 11.206 1.00 0.00 N ATOM 602 CA LYS A 36 -2.141 -5.540 12.662 1.00 0.00 C ATOM 603 C LYS A 36 -3.294 -4.743 13.257 1.00 0.00 C ATOM 604 O LYS A 36 -3.195 -4.225 14.368 1.00 0.00 O ATOM 605 CB LYS A 36 -0.819 -4.936 13.113 1.00 0.00 C ATOM 606 CG LYS A 36 0.229 -5.974 13.475 1.00 0.00 C ATOM 607 CD LYS A 36 0.374 -6.118 14.981 1.00 0.00 C ATOM 608 CE LYS A 36 1.676 -5.506 15.477 1.00 0.00 C ATOM 609 NZ LYS A 36 1.435 -4.340 16.372 1.00 0.00 N ATOM 0 H LYS A 36 -2.222 -4.640 10.770 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.216 -6.568 13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.429 -4.300 12.318 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.997 -4.295 13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.045 -6.936 13.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.188 -5.691 13.042 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.468 -5.635 15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.341 -7.173 15.252 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.252 -6.261 16.012 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.277 -5.191 14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.346 -3.951 16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.907 -3.608 15.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.883 -4.645 17.199 1.00 0.00 H new ATOM 623 N LYS A 37 -4.382 -4.645 12.504 1.00 0.00 N ATOM 624 CA LYS A 37 -5.565 -3.911 12.944 1.00 0.00 C ATOM 625 C LYS A 37 -5.190 -2.546 13.518 1.00 0.00 C ATOM 626 O LYS A 37 -5.663 -2.158 14.586 1.00 0.00 O ATOM 627 CB LYS A 37 -6.345 -4.726 13.982 1.00 0.00 C ATOM 628 CG LYS A 37 -5.534 -5.086 15.218 1.00 0.00 C ATOM 629 CD LYS A 37 -6.409 -5.697 16.300 1.00 0.00 C ATOM 630 CE LYS A 37 -5.812 -5.492 17.683 1.00 0.00 C ATOM 631 NZ LYS A 37 -6.437 -4.339 18.391 1.00 0.00 N ATOM 0 H LYS A 37 -4.471 -5.067 11.580 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.199 -3.748 12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.224 -4.159 14.289 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.704 -5.643 13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.746 -5.789 14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.044 -4.193 15.606 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.402 -5.250 16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.532 -6.763 16.110 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.946 -6.398 18.275 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.738 -5.325 17.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.003 -4.232 19.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.287 -3.470 17.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.457 -4.509 18.498 1.00 0.00 H new ATOM 645 N GLU A 38 -4.339 -1.823 12.797 1.00 0.00 N ATOM 646 CA GLU A 38 -3.899 -0.503 13.228 1.00 0.00 C ATOM 647 C GLU A 38 -4.196 0.546 12.154 1.00 0.00 C ATOM 648 O GLU A 38 -3.565 0.552 11.097 1.00 0.00 O ATOM 649 CB GLU A 38 -2.402 -0.518 13.538 1.00 0.00 C ATOM 650 CG GLU A 38 -1.913 0.737 14.242 1.00 0.00 C ATOM 651 CD GLU A 38 -0.719 0.475 15.137 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.403 0.335 14.606 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.905 0.411 16.371 1.00 0.00 O ATOM 0 H GLU A 38 -3.940 -2.131 11.910 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.448 -0.241 14.132 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.177 -1.384 14.160 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.848 -0.641 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.646 1.487 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.725 1.154 14.838 1.00 0.00 H new ATOM 660 N PRO A 39 -5.161 1.448 12.408 1.00 0.00 N ATOM 661 CA PRO A 39 -5.529 2.496 11.450 1.00 0.00 C ATOM 662 C PRO A 39 -4.405 3.506 11.239 1.00 0.00 C ATOM 663 O PRO A 39 -3.773 3.956 12.193 1.00 0.00 O ATOM 664 CB PRO A 39 -6.740 3.171 12.098 1.00 0.00 C ATOM 665 CG PRO A 39 -6.613 2.875 13.551 1.00 0.00 C ATOM 666 CD PRO A 39 -5.968 1.521 13.640 1.00 0.00 C ATOM 0 HA PRO A 39 -5.736 2.087 10.461 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.740 4.245 11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.674 2.778 11.695 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.007 3.630 14.052 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.589 2.876 14.037 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.349 1.428 14.532 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.710 0.724 13.683 1.00 0.00 H new ATOM 674 N LEU A 40 -4.164 3.857 9.979 1.00 0.00 N ATOM 675 CA LEU A 40 -3.116 4.814 9.638 1.00 0.00 C ATOM 676 C LEU A 40 -3.425 6.188 10.222 1.00 0.00 C ATOM 677 O LEU A 40 -4.437 6.374 10.901 1.00 0.00 O ATOM 678 CB LEU A 40 -2.965 4.915 8.119 1.00 0.00 C ATOM 679 CG LEU A 40 -2.854 3.574 7.390 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.602 3.621 6.066 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.394 3.209 7.170 1.00 0.00 C ATOM 0 H LEU A 40 -4.680 3.493 9.178 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.179 4.459 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.821 5.459 7.719 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.078 5.508 7.896 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.311 2.804 8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.511 2.658 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.654 3.837 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.177 4.402 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.332 2.253 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.913 3.980 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.889 3.132 8.133 1.00 0.00 H new ATOM 693 N ASP A 41 -2.546 7.149 9.957 1.00 0.00 N ATOM 694 CA ASP A 41 -2.724 8.508 10.456 1.00 0.00 C ATOM 695 C ASP A 41 -2.859 9.499 9.302 1.00 0.00 C ATOM 696 O ASP A 41 -2.466 9.206 8.174 1.00 0.00 O ATOM 697 CB ASP A 41 -1.546 8.903 11.349 1.00 0.00 C ATOM 698 CG ASP A 41 -1.723 8.433 12.780 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.052 7.245 12.979 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.532 9.254 13.701 1.00 0.00 O ATOM 0 H ASP A 41 -1.703 7.012 9.399 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.642 8.536 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.627 8.481 10.942 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.432 9.987 11.337 1.00 0.00 H new ATOM 705 N PRO A 42 -3.418 10.691 9.574 1.00 0.00 N ATOM 706 CA PRO A 42 -3.603 11.728 8.554 1.00 0.00 C ATOM 707 C PRO A 42 -2.277 12.304 8.061 1.00 0.00 C ATOM 708 O PRO A 42 -2.216 12.921 6.998 1.00 0.00 O ATOM 709 CB PRO A 42 -4.416 12.804 9.277 1.00 0.00 C ATOM 710 CG PRO A 42 -4.121 12.600 10.722 1.00 0.00 C ATOM 711 CD PRO A 42 -3.913 11.121 10.895 1.00 0.00 C ATOM 0 HA PRO A 42 -4.091 11.335 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.126 13.803 8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.481 12.698 9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.233 13.157 11.022 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.944 12.954 11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.193 10.906 11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.840 10.613 11.162 1.00 0.00 H new ATOM 719 N GLN A 43 -1.218 12.099 8.839 1.00 0.00 N ATOM 720 CA GLN A 43 0.104 12.600 8.475 1.00 0.00 C ATOM 721 C GLN A 43 0.781 11.698 7.442 1.00 0.00 C ATOM 722 O GLN A 43 1.891 11.983 6.994 1.00 0.00 O ATOM 723 CB GLN A 43 0.985 12.716 9.721 1.00 0.00 C ATOM 724 CG GLN A 43 1.132 11.410 10.486 1.00 0.00 C ATOM 725 CD GLN A 43 2.575 11.095 10.834 1.00 0.00 C ATOM 726 OE1 GLN A 43 2.955 11.082 12.004 1.00 0.00 O ATOM 727 NE2 GLN A 43 3.386 10.841 9.813 1.00 0.00 N ATOM 0 H GLN A 43 -1.249 11.591 9.723 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.026 13.586 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.974 13.068 9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.564 13.471 10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.545 11.462 11.403 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.720 10.596 9.890 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.027 10.863 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.368 10.624 9.983 1.00 0.00 H new ATOM 736 N PHE A 44 0.109 10.611 7.065 1.00 0.00 N ATOM 737 CA PHE A 44 0.655 9.679 6.084 1.00 0.00 C ATOM 738 C PHE A 44 0.497 10.212 4.660 1.00 0.00 C ATOM 739 O PHE A 44 0.950 9.585 3.702 1.00 0.00 O ATOM 740 CB PHE A 44 -0.031 8.318 6.208 1.00 0.00 C ATOM 741 CG PHE A 44 0.567 7.436 7.266 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.948 7.958 8.492 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.749 6.081 7.036 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.500 7.150 9.467 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.300 5.266 8.006 1.00 0.00 C ATOM 746 CZ PHE A 44 1.676 5.800 9.223 1.00 0.00 C ATOM 0 H PHE A 44 -0.811 10.356 7.424 1.00 0.00 H new ATOM 0 HA PHE A 44 1.720 9.567 6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.087 8.472 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.022 7.805 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.811 9.011 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.456 5.657 6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.793 7.571 10.417 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.437 4.212 7.813 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.107 5.165 9.983 1.00 0.00 H new ATOM 756 N GLN A 45 -0.146 11.370 4.522 1.00 0.00 N ATOM 757 CA GLN A 45 -0.356 11.975 3.211 1.00 0.00 C ATOM 758 C GLN A 45 -1.213 11.073 2.327 1.00 0.00 C ATOM 759 O GLN A 45 -0.922 10.885 1.146 1.00 0.00 O ATOM 760 CB GLN A 45 0.988 12.250 2.532 1.00 0.00 C ATOM 761 CG GLN A 45 1.914 13.132 3.354 1.00 0.00 C ATOM 762 CD GLN A 45 3.352 12.653 3.325 1.00 0.00 C ATOM 763 OE1 GLN A 45 4.069 12.861 2.345 1.00 0.00 O ATOM 764 NE2 GLN A 45 3.781 12.004 4.402 1.00 0.00 N ATOM 0 H GLN A 45 -0.529 11.906 5.301 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.882 12.919 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.486 11.301 2.332 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.808 12.725 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.867 14.153 2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.564 13.158 4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.152 11.854 5.191 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.739 11.656 4.440 1.00 0.00 H new ATOM 773 N ASP A 46 -2.273 10.520 2.908 1.00 0.00 N ATOM 774 CA ASP A 46 -3.174 9.640 2.174 1.00 0.00 C ATOM 775 C ASP A 46 -4.280 10.439 1.493 1.00 0.00 C ATOM 776 O ASP A 46 -5.257 10.832 2.129 1.00 0.00 O ATOM 777 CB ASP A 46 -3.784 8.601 3.117 1.00 0.00 C ATOM 778 CG ASP A 46 -4.561 9.238 4.253 1.00 0.00 C ATOM 779 OD1 ASP A 46 -3.938 9.573 5.282 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.791 9.401 4.114 1.00 0.00 O ATOM 0 H ASP A 46 -2.529 10.666 3.885 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.596 9.128 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.445 7.945 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.990 7.977 3.528 1.00 0.00 H new ATOM 785 N HIS A 47 -4.119 10.675 0.195 1.00 0.00 N ATOM 786 CA HIS A 47 -5.105 11.427 -0.573 1.00 0.00 C ATOM 787 C HIS A 47 -5.429 10.720 -1.885 1.00 0.00 C ATOM 788 O HIS A 47 -4.798 9.722 -2.236 1.00 0.00 O ATOM 789 CB HIS A 47 -4.592 12.840 -0.856 1.00 0.00 C ATOM 790 CG HIS A 47 -4.349 13.648 0.382 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.125 13.707 1.015 1.00 0.00 N ATOM 792 CD2 HIS A 47 -5.183 14.435 1.105 1.00 0.00 C ATOM 793 CE1 HIS A 47 -3.217 14.492 2.073 1.00 0.00 C ATOM 794 NE2 HIS A 47 -4.454 14.948 2.149 1.00 0.00 N ATOM 0 H HIS A 47 -3.316 10.357 -0.347 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.018 11.490 0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.664 12.774 -1.425 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.315 13.361 -1.484 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.226 14.623 0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.416 14.722 2.760 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.810 15.579 2.867 1.00 0.00 H new ATOM 803 N ALA A 48 -6.416 11.243 -2.605 1.00 0.00 N ATOM 804 CA ALA A 48 -6.824 10.662 -3.878 1.00 0.00 C ATOM 805 C ALA A 48 -5.899 11.108 -5.006 1.00 0.00 C ATOM 806 O ALA A 48 -5.604 12.293 -5.147 1.00 0.00 O ATOM 807 CB ALA A 48 -8.265 11.038 -4.193 1.00 0.00 C ATOM 0 H ALA A 48 -6.948 12.068 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.754 9.578 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.556 10.597 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.919 10.664 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.353 12.123 -4.253 1.00 0.00 H new ATOM 813 N LEU A 49 -5.445 10.148 -5.805 1.00 0.00 N ATOM 814 CA LEU A 49 -4.553 10.443 -6.921 1.00 0.00 C ATOM 815 C LEU A 49 -5.340 10.940 -8.129 1.00 0.00 C ATOM 816 O LEU A 49 -6.564 11.068 -8.076 1.00 0.00 O ATOM 817 CB LEU A 49 -3.746 9.199 -7.300 1.00 0.00 C ATOM 818 CG LEU A 49 -2.572 8.883 -6.372 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.342 7.381 -6.294 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.313 9.593 -6.848 1.00 0.00 C ATOM 0 H LEU A 49 -5.679 9.161 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.867 11.230 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.417 8.340 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.365 9.326 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.815 9.244 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.503 7.175 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.238 6.895 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.120 6.995 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.487 9.358 -6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.067 9.261 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.482 10.670 -6.852 1.00 0.00 H new ATOM 832 N LYS A 50 -4.629 11.217 -9.218 1.00 0.00 N ATOM 833 CA LYS A 50 -5.263 11.699 -10.441 1.00 0.00 C ATOM 834 C LYS A 50 -4.837 10.859 -11.642 1.00 0.00 C ATOM 835 O LYS A 50 -3.787 10.216 -11.620 1.00 0.00 O ATOM 836 CB LYS A 50 -4.905 13.167 -10.681 1.00 0.00 C ATOM 837 CG LYS A 50 -5.008 14.030 -9.434 1.00 0.00 C ATOM 838 CD LYS A 50 -3.686 14.092 -8.688 1.00 0.00 C ATOM 839 CE LYS A 50 -2.677 14.965 -9.414 1.00 0.00 C ATOM 840 NZ LYS A 50 -2.974 16.415 -9.247 1.00 0.00 N ATOM 0 H LYS A 50 -3.616 11.116 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.343 11.609 -10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.889 13.225 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.564 13.572 -11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.317 15.037 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.780 13.630 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.852 14.483 -7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.283 13.085 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.676 14.754 -9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.677 14.714 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.200 16.977 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.864 16.645 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.066 16.636 -8.235 1.00 0.00 H new ATOM 854 N GLY A 51 -5.659 10.869 -12.686 1.00 0.00 N ATOM 855 CA GLY A 51 -5.351 10.105 -13.880 1.00 0.00 C ATOM 856 C GLY A 51 -5.236 8.627 -13.606 1.00 0.00 C ATOM 857 O GLY A 51 -4.287 8.180 -12.963 1.00 0.00 O ATOM 0 H GLY A 51 -6.533 11.393 -12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.128 10.274 -14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.415 10.466 -14.307 1.00 0.00 H new ATOM 861 N LYS A 52 -6.202 7.866 -14.094 1.00 0.00 N ATOM 862 CA LYS A 52 -6.216 6.419 -13.899 1.00 0.00 C ATOM 863 C LYS A 52 -6.508 6.067 -12.443 1.00 0.00 C ATOM 864 O LYS A 52 -7.310 5.177 -12.161 1.00 0.00 O ATOM 865 CB LYS A 52 -4.879 5.808 -14.330 1.00 0.00 C ATOM 866 CG LYS A 52 -5.023 4.480 -15.055 1.00 0.00 C ATOM 867 CD LYS A 52 -5.632 4.663 -16.436 1.00 0.00 C ATOM 868 CE LYS A 52 -7.116 4.332 -16.441 1.00 0.00 C ATOM 869 NZ LYS A 52 -7.908 5.349 -17.184 1.00 0.00 N ATOM 0 H LYS A 52 -6.991 8.225 -14.631 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.010 6.003 -14.519 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.360 6.513 -14.979 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.253 5.666 -13.449 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.046 4.006 -15.147 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.648 3.809 -14.466 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.487 5.692 -16.765 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.114 4.024 -17.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.268 3.352 -16.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.478 4.269 -15.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.914 5.087 -17.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.783 6.280 -16.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.581 5.391 -18.170 1.00 0.00 H new ATOM 883 N TRP A 53 -5.851 6.767 -11.521 1.00 0.00 N ATOM 884 CA TRP A 53 -6.046 6.522 -10.096 1.00 0.00 C ATOM 885 C TRP A 53 -6.890 7.625 -9.465 1.00 0.00 C ATOM 886 O TRP A 53 -6.670 8.010 -8.319 1.00 0.00 O ATOM 887 CB TRP A 53 -4.694 6.429 -9.381 1.00 0.00 C ATOM 888 CG TRP A 53 -3.684 5.607 -10.122 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.379 5.932 -10.361 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.894 4.323 -10.721 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.765 4.929 -11.072 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.675 3.930 -11.305 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.994 3.467 -10.821 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -2.526 2.719 -11.978 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -4.845 2.265 -11.487 1.00 0.00 C ATOM 896 CH2 TRP A 53 -3.620 1.901 -12.058 1.00 0.00 C ATOM 0 H TRP A 53 -5.181 7.506 -11.735 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.574 5.575 -9.986 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.298 7.434 -9.237 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.844 6.000 -8.390 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.900 6.844 -10.038 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.792 4.928 -11.377 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.944 3.740 -10.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.582 2.436 -12.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.688 1.595 -11.568 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.537 0.955 -12.572 1.00 0.00 H new ATOM 907 N LYS A 54 -7.858 8.128 -10.225 1.00 0.00 N ATOM 908 CA LYS A 54 -8.737 9.186 -9.743 1.00 0.00 C ATOM 909 C LYS A 54 -9.652 8.678 -8.632 1.00 0.00 C ATOM 910 O LYS A 54 -9.714 9.269 -7.553 1.00 0.00 O ATOM 911 CB LYS A 54 -9.573 9.751 -10.893 1.00 0.00 C ATOM 912 CG LYS A 54 -9.622 11.269 -10.921 1.00 0.00 C ATOM 913 CD LYS A 54 -10.999 11.776 -11.322 1.00 0.00 C ATOM 914 CE LYS A 54 -10.934 13.194 -11.866 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.962 13.434 -12.916 1.00 0.00 N ATOM 0 H LYS A 54 -8.053 7.819 -11.177 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.112 9.980 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.166 9.392 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.589 9.364 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.361 11.660 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.877 11.645 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.426 11.115 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.664 11.746 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.076 13.903 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.943 13.379 -12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.884 14.412 -13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.811 12.775 -13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.910 13.283 -12.515 1.00 0.00 H new ATOM 929 N PRO A 55 -10.377 7.573 -8.877 1.00 0.00 N ATOM 930 CA PRO A 55 -11.287 6.995 -7.886 1.00 0.00 C ATOM 931 C PRO A 55 -10.555 6.197 -6.808 1.00 0.00 C ATOM 932 O PRO A 55 -11.186 5.581 -5.948 1.00 0.00 O ATOM 933 CB PRO A 55 -12.171 6.075 -8.725 1.00 0.00 C ATOM 934 CG PRO A 55 -11.302 5.648 -9.857 1.00 0.00 C ATOM 935 CD PRO A 55 -10.370 6.800 -10.134 1.00 0.00 C ATOM 0 HA PRO A 55 -11.835 7.762 -7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.515 5.219 -8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.059 6.596 -9.082 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.742 4.749 -9.600 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.899 5.411 -10.737 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.368 6.452 -10.383 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.717 7.401 -10.975 1.00 0.00 H new ATOM 943 N PHE A 56 -9.224 6.211 -6.855 1.00 0.00 N ATOM 944 CA PHE A 56 -8.421 5.487 -5.875 1.00 0.00 C ATOM 945 C PHE A 56 -7.818 6.446 -4.854 1.00 0.00 C ATOM 946 O PHE A 56 -7.920 7.665 -4.996 1.00 0.00 O ATOM 947 CB PHE A 56 -7.308 4.705 -6.574 1.00 0.00 C ATOM 948 CG PHE A 56 -7.812 3.728 -7.599 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.285 4.170 -8.824 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.813 2.367 -7.336 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.748 3.275 -9.768 1.00 0.00 C ATOM 952 CE2 PHE A 56 -8.276 1.468 -8.276 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.744 1.922 -9.493 1.00 0.00 C ATOM 0 H PHE A 56 -8.682 6.714 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.074 4.788 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.629 5.408 -7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.728 4.166 -5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.292 5.228 -9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.448 2.006 -6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.113 3.633 -10.720 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.272 0.410 -8.059 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.107 1.220 -10.229 1.00 0.00 H new ATOM 963 N ARG A 57 -7.192 5.888 -3.825 1.00 0.00 N ATOM 964 CA ARG A 57 -6.574 6.694 -2.779 1.00 0.00 C ATOM 965 C ARG A 57 -5.166 6.197 -2.469 1.00 0.00 C ATOM 966 O ARG A 57 -4.928 4.991 -2.386 1.00 0.00 O ATOM 967 CB ARG A 57 -7.426 6.667 -1.510 1.00 0.00 C ATOM 968 CG ARG A 57 -6.971 7.655 -0.448 1.00 0.00 C ATOM 969 CD ARG A 57 -7.892 7.639 0.759 1.00 0.00 C ATOM 970 NE ARG A 57 -9.178 8.273 0.475 1.00 0.00 N ATOM 971 CZ ARG A 57 -9.349 9.590 0.375 1.00 0.00 C ATOM 972 NH1 ARG A 57 -8.320 10.413 0.535 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.551 10.083 0.111 1.00 0.00 N ATOM 0 H ARG A 57 -7.099 4.881 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.508 7.720 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.462 6.882 -1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.406 5.661 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.955 7.412 -0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.943 8.659 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.058 6.609 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.410 8.154 1.590 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.992 7.672 0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.393 10.038 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.456 11.421 0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.344 9.454 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.683 11.092 0.034 1.00 0.00 H new ATOM 987 N GLU A 58 -4.237 7.131 -2.300 1.00 0.00 N ATOM 988 CA GLU A 58 -2.852 6.785 -2.000 1.00 0.00 C ATOM 989 C GLU A 58 -2.572 6.910 -0.504 1.00 0.00 C ATOM 990 O GLU A 58 -3.409 7.395 0.256 1.00 0.00 O ATOM 991 CB GLU A 58 -1.897 7.685 -2.788 1.00 0.00 C ATOM 992 CG GLU A 58 -0.700 6.946 -3.362 1.00 0.00 C ATOM 993 CD GLU A 58 0.524 7.831 -3.496 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.654 8.787 -2.702 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.352 7.567 -4.393 1.00 0.00 O ATOM 0 H GLU A 58 -4.417 8.133 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.690 5.749 -2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.446 8.158 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.542 8.483 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.461 6.097 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.962 6.544 -4.341 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.389 6.469 -0.091 1.00 0.00 N ATOM 1003 CA CYS A 59 -0.995 6.531 1.312 1.00 0.00 C ATOM 1004 C CYS A 59 0.502 6.288 1.464 1.00 0.00 C ATOM 1005 O CYS A 59 1.040 5.316 0.933 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.777 5.501 2.130 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.634 5.720 3.919 1.00 0.00 S ATOM 0 H CYS A 59 -0.685 6.064 -0.708 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.224 7.529 1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.829 5.554 1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.427 4.503 1.867 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.378 5.747 4.254 1.00 0.00 H new ATOM 1013 N HIS A 60 1.172 7.176 2.189 1.00 0.00 N ATOM 1014 CA HIS A 60 2.608 7.056 2.406 1.00 0.00 C ATOM 1015 C HIS A 60 2.907 6.445 3.771 1.00 0.00 C ATOM 1016 O HIS A 60 3.148 7.161 4.743 1.00 0.00 O ATOM 1017 CB HIS A 60 3.281 8.426 2.292 1.00 0.00 C ATOM 1018 CG HIS A 60 2.857 9.204 1.083 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.753 9.810 0.227 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.625 9.479 0.592 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.090 10.422 -0.738 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.798 10.236 -0.541 1.00 0.00 N ATOM 0 H HIS A 60 0.744 7.987 2.636 1.00 0.00 H new ATOM 0 HA HIS A 60 3.008 6.396 1.637 1.00 0.00 H new ATOM 0 HB2 HIS A 60 3.055 9.008 3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.362 8.289 2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.682 9.162 1.013 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.531 10.980 -1.551 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.050 10.596 -1.134 1.00 0.00 H new ATOM 1031 N ILE A 61 2.890 5.117 3.838 1.00 0.00 N ATOM 1032 CA ILE A 61 3.164 4.410 5.085 1.00 0.00 C ATOM 1033 C ILE A 61 4.544 4.773 5.629 1.00 0.00 C ATOM 1034 O ILE A 61 4.776 4.731 6.837 1.00 0.00 O ATOM 1035 CB ILE A 61 3.079 2.881 4.895 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.707 2.488 4.339 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.347 2.164 6.212 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.752 2.003 2.906 1.00 0.00 C ATOM 0 H ILE A 61 2.689 4.509 3.044 1.00 0.00 H new ATOM 0 HA ILE A 61 2.403 4.720 5.801 1.00 0.00 H new ATOM 0 HB ILE A 61 3.842 2.578 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.281 1.705 4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.039 3.347 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.283 1.087 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.344 2.421 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.606 2.470 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.746 1.742 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.149 2.792 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.394 1.125 2.839 1.00 0.00 H new ATOM 1050 N LYS A 62 5.453 5.125 4.728 1.00 0.00 N ATOM 1051 CA LYS A 62 6.809 5.492 5.112 1.00 0.00 C ATOM 1052 C LYS A 62 7.278 6.717 4.329 1.00 0.00 C ATOM 1053 O LYS A 62 6.635 7.122 3.360 1.00 0.00 O ATOM 1054 CB LYS A 62 7.759 4.316 4.867 1.00 0.00 C ATOM 1055 CG LYS A 62 7.992 3.456 6.098 1.00 0.00 C ATOM 1056 CD LYS A 62 9.456 3.079 6.249 1.00 0.00 C ATOM 1057 CE LYS A 62 9.728 2.431 7.598 1.00 0.00 C ATOM 1058 NZ LYS A 62 11.182 2.204 7.822 1.00 0.00 N ATOM 0 H LYS A 62 5.274 5.164 3.725 1.00 0.00 H new ATOM 0 HA LYS A 62 6.813 5.739 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.354 3.693 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.717 4.700 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.661 3.994 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.388 2.551 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.741 2.393 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.075 3.969 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.333 3.065 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.199 1.480 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.325 1.761 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.554 1.578 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.684 3.114 7.791 1.00 0.00 H new ATOM 1072 N PRO A 63 8.407 7.324 4.736 1.00 0.00 N ATOM 1073 CA PRO A 63 8.951 8.508 4.060 1.00 0.00 C ATOM 1074 C PRO A 63 9.460 8.205 2.653 1.00 0.00 C ATOM 1075 O PRO A 63 9.888 9.104 1.928 1.00 0.00 O ATOM 1076 CB PRO A 63 10.104 8.946 4.967 1.00 0.00 C ATOM 1077 CG PRO A 63 10.500 7.710 5.700 1.00 0.00 C ATOM 1078 CD PRO A 63 9.239 6.914 5.883 1.00 0.00 C ATOM 0 HA PRO A 63 8.188 9.274 3.920 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.935 9.345 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.790 9.731 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.241 7.143 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.950 7.954 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.436 5.842 5.874 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.754 7.141 6.833 1.00 0.00 H new ATOM 1086 N ASP A 64 9.404 6.936 2.271 1.00 0.00 N ATOM 1087 CA ASP A 64 9.853 6.508 0.953 1.00 0.00 C ATOM 1088 C ASP A 64 8.983 5.367 0.432 1.00 0.00 C ATOM 1089 O ASP A 64 9.441 4.529 -0.343 1.00 0.00 O ATOM 1090 CB ASP A 64 11.317 6.067 1.005 1.00 0.00 C ATOM 1091 CG ASP A 64 12.011 6.206 -0.336 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.232 7.353 -0.774 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.334 5.166 -0.947 1.00 0.00 O ATOM 0 H ASP A 64 9.050 6.181 2.859 1.00 0.00 H new ATOM 0 HA ASP A 64 9.763 7.354 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.847 6.663 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.369 5.029 1.332 1.00 0.00 H new ATOM 1098 N VAL A 65 7.726 5.342 0.868 1.00 0.00 N ATOM 1099 CA VAL A 65 6.793 4.302 0.449 1.00 0.00 C ATOM 1100 C VAL A 65 5.419 4.884 0.138 1.00 0.00 C ATOM 1101 O VAL A 65 4.975 5.835 0.780 1.00 0.00 O ATOM 1102 CB VAL A 65 6.636 3.217 1.531 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.705 2.111 1.059 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.991 2.648 1.915 1.00 0.00 C ATOM 0 H VAL A 65 7.331 6.029 1.510 1.00 0.00 H new ATOM 0 HA VAL A 65 7.210 3.854 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 65 6.193 3.678 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.610 1.357 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.723 2.531 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.113 1.651 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.861 1.883 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.462 2.206 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.624 3.446 2.304 1.00 0.00 H new ATOM 1114 N LEU A 66 4.750 4.294 -0.846 1.00 0.00 N ATOM 1115 CA LEU A 66 3.418 4.735 -1.245 1.00 0.00 C ATOM 1116 C LEU A 66 2.531 3.537 -1.564 1.00 0.00 C ATOM 1117 O LEU A 66 2.840 2.744 -2.454 1.00 0.00 O ATOM 1118 CB LEU A 66 3.496 5.663 -2.460 1.00 0.00 C ATOM 1119 CG LEU A 66 4.706 6.598 -2.492 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.745 7.373 -3.799 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.677 7.552 -1.307 1.00 0.00 C ATOM 0 H LEU A 66 5.110 3.506 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 66 2.981 5.286 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.506 5.052 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.590 6.267 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 66 5.610 5.993 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.612 8.033 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.815 6.675 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.836 7.967 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.546 8.209 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.767 8.151 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.697 6.980 -0.379 1.00 0.00 H new ATOM 1133 N LEU A 67 1.434 3.405 -0.827 1.00 0.00 N ATOM 1134 CA LEU A 67 0.510 2.296 -1.026 1.00 0.00 C ATOM 1135 C LEU A 67 -0.857 2.792 -1.488 1.00 0.00 C ATOM 1136 O LEU A 67 -1.456 3.666 -0.862 1.00 0.00 O ATOM 1137 CB LEU A 67 0.365 1.494 0.271 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.720 0.412 0.265 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.747 -0.327 -1.066 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.502 -0.562 1.412 1.00 0.00 C ATOM 0 H LEU A 67 1.163 4.052 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 67 0.918 1.652 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.322 1.022 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.155 2.188 1.085 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.686 0.898 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.526 -1.089 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.954 0.379 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.219 -0.801 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.281 -1.325 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.473 -1.037 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.542 -0.024 2.359 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.343 2.219 -2.583 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.643 2.589 -3.129 1.00 0.00 C ATOM 1154 C VAL A 68 -3.681 1.521 -2.805 1.00 0.00 C ATOM 1155 O VAL A 68 -3.401 0.326 -2.892 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.576 2.787 -4.656 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.918 3.257 -5.202 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.474 3.772 -5.015 1.00 0.00 C ATOM 0 H VAL A 68 -0.855 1.495 -3.111 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.933 3.533 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.344 1.826 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.845 3.390 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.683 2.513 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.188 4.205 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.440 3.901 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.676 4.733 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.515 3.389 -4.665 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.878 1.956 -2.427 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.949 1.027 -2.086 1.00 0.00 C ATOM 1170 C TYR A 69 -7.317 1.645 -2.361 1.00 0.00 C ATOM 1171 O TYR A 69 -7.439 2.857 -2.541 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.846 0.621 -0.616 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.982 1.783 0.343 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.233 2.236 0.741 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.859 2.427 0.847 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.362 3.299 1.614 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.980 3.489 1.721 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.232 3.922 2.101 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.356 4.980 2.972 1.00 0.00 O ATOM 0 H TYR A 69 -5.130 2.941 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.841 0.141 -2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.620 -0.114 -0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.886 0.133 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.119 1.749 0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.876 2.092 0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.342 3.640 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.097 3.978 2.105 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.466 5.305 3.221 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.346 0.801 -2.390 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.707 1.260 -2.642 1.00 0.00 C ATOM 1191 C LEU A 70 -10.587 1.051 -1.413 1.00 0.00 C ATOM 1192 O LEU A 70 -10.131 0.546 -0.388 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.302 0.520 -3.842 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.054 1.403 -4.839 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.168 2.546 -5.314 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.542 0.577 -6.019 1.00 0.00 C ATOM 0 H LEU A 70 -8.262 -0.205 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.670 2.327 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.497 0.007 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.983 -0.248 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.922 1.829 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.720 3.164 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.868 3.153 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.281 2.141 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.075 1.221 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.689 0.122 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.213 -0.205 -5.663 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.853 1.441 -1.526 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.799 1.295 -0.426 1.00 0.00 C ATOM 1210 C VAL A 71 -13.998 0.452 -0.844 1.00 0.00 C ATOM 1211 O VAL A 71 -14.811 0.874 -1.667 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.300 2.666 0.070 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -14.127 2.506 1.336 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -12.128 3.608 0.304 1.00 0.00 C ATOM 0 H VAL A 71 -12.247 1.860 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.268 0.795 0.384 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.938 3.101 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.472 3.484 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.987 1.869 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.516 2.050 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.500 4.571 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.463 3.181 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.581 3.747 -0.629 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.103 -0.743 -0.274 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.202 -1.648 -0.588 1.00 0.00 C ATOM 1226 C LYS A 72 -16.265 -1.616 0.506 1.00 0.00 C ATOM 1227 O LYS A 72 -16.043 -1.065 1.585 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.679 -3.075 -0.768 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.054 -3.695 -2.105 1.00 0.00 C ATOM 1230 CD LYS A 72 -14.715 -5.177 -2.145 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.679 -5.993 -1.298 1.00 0.00 C ATOM 1232 NZ LYS A 72 -16.077 -7.258 -1.973 1.00 0.00 N ATOM 0 H LYS A 72 -13.439 -1.108 0.409 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.658 -1.315 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.593 -3.070 -0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.069 -3.700 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.121 -3.559 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.528 -3.178 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.746 -5.531 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.697 -5.328 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.214 -6.224 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.568 -5.399 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.734 -7.785 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.544 -7.038 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.232 -7.837 -2.152 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.419 -2.210 0.221 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.516 -2.251 1.181 1.00 0.00 C ATOM 1248 C ASP A 73 -18.108 -3.012 2.440 1.00 0.00 C ATOM 1249 O ASP A 73 -17.998 -4.238 2.428 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.748 -2.903 0.555 1.00 0.00 C ATOM 1251 CG ASP A 73 -19.423 -4.221 -0.122 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -18.771 -4.198 -1.186 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -19.822 -5.277 0.414 1.00 0.00 O ATOM 0 H ASP A 73 -17.619 -2.670 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.760 -1.226 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.499 -3.070 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.186 -2.221 -0.174 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.885 -2.276 3.522 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.488 -2.880 4.789 1.00 0.00 C ATOM 1260 C ASP A 74 -16.193 -3.676 4.637 1.00 0.00 C ATOM 1261 O ASP A 74 -15.901 -4.561 5.441 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.602 -3.790 5.312 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.807 -3.653 6.809 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.635 -2.532 7.331 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.137 -4.667 7.457 1.00 0.00 O ATOM 0 H ASP A 74 -17.972 -1.260 3.548 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.314 -2.077 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.533 -3.552 4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.362 -4.826 5.074 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.420 -3.356 3.602 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.159 -4.042 3.349 1.00 0.00 C ATOM 1272 C GLU A 75 -13.223 -3.169 2.520 1.00 0.00 C ATOM 1273 O GLU A 75 -13.669 -2.381 1.687 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.412 -5.367 2.628 1.00 0.00 C ATOM 1275 CG GLU A 75 -14.978 -6.453 3.529 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.488 -6.557 3.439 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.015 -6.593 2.307 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.143 -6.601 4.501 1.00 0.00 O ATOM 0 H GLU A 75 -15.646 -2.626 2.926 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.684 -4.244 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.103 -5.195 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.476 -5.719 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.535 -7.412 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.692 -6.249 4.561 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.923 -3.312 2.754 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.923 -2.534 2.029 1.00 0.00 C ATOM 1287 C LEU A 76 -10.100 -3.430 1.108 1.00 0.00 C ATOM 1288 O LEU A 76 -9.863 -4.599 1.413 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.003 -1.805 3.010 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.992 -0.855 2.366 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.843 0.410 3.196 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.646 -1.544 2.196 1.00 0.00 C ATOM 0 H LEU A 76 -11.536 -3.960 3.440 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.444 -1.798 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.618 -1.237 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.460 -2.547 3.595 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.363 -0.576 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.120 1.073 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.807 0.915 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.496 0.150 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.939 -0.853 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.270 -1.853 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.764 -2.420 1.558 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.666 -2.874 -0.020 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.868 -3.626 -0.981 1.00 0.00 C ATOM 1306 C ILE A 77 -7.622 -2.849 -1.392 1.00 0.00 C ATOM 1307 O ILE A 77 -7.688 -1.651 -1.665 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.686 -3.973 -2.244 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.049 -2.701 -3.016 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.941 -4.747 -1.867 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.146 -2.436 -4.201 1.00 0.00 C ATOM 0 H ILE A 77 -9.853 -1.908 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.568 -4.550 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.074 -4.602 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.079 -2.778 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.005 -1.849 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.507 -4.984 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.660 -5.671 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.556 -4.141 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.461 -1.520 -4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.117 -2.327 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.208 -3.270 -4.900 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.487 -3.540 -1.438 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.228 -2.912 -1.820 1.00 0.00 C ATOM 1325 C LEU A 78 -5.084 -2.872 -3.338 1.00 0.00 C ATOM 1326 O LEU A 78 -5.579 -3.752 -4.043 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.050 -3.668 -1.203 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.049 -3.727 0.324 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.855 -4.523 0.828 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.042 -2.325 0.912 1.00 0.00 C ATOM 0 H LEU A 78 -6.414 -4.533 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.229 -1.889 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.048 -4.687 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.123 -3.199 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.959 -4.232 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.872 -4.554 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.903 -5.539 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.933 -4.048 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.041 -2.387 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.150 -1.795 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.930 -1.787 0.580 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.404 -1.844 -3.836 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.197 -1.688 -5.271 1.00 0.00 C ATOM 1344 C LEU A 79 -2.776 -2.083 -5.664 1.00 0.00 C ATOM 1345 O LEU A 79 -2.569 -3.087 -6.344 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.481 -0.245 -5.694 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.745 -0.057 -6.537 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.705 -0.951 -7.767 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -6.985 -0.345 -5.706 1.00 0.00 C ATOM 0 H LEU A 79 -3.987 -1.107 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.890 -2.351 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.564 0.371 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.626 0.127 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.787 0.980 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.612 -0.803 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.835 -0.697 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.639 -1.994 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.875 -0.207 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.950 -1.373 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.021 0.338 -4.857 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.801 -1.286 -5.235 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.404 -1.561 -5.550 1.00 0.00 C ATOM 1363 C ARG A 80 0.534 -0.829 -4.595 1.00 0.00 C ATOM 1364 O ARG A 80 0.106 0.010 -3.803 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.096 -1.158 -6.995 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.146 0.344 -7.234 1.00 0.00 C ATOM 1367 CD ARG A 80 1.196 0.879 -7.709 1.00 0.00 C ATOM 1368 NE ARG A 80 1.046 2.079 -8.530 1.00 0.00 N ATOM 1369 CZ ARG A 80 1.988 2.536 -9.354 1.00 0.00 C ATOM 1370 NH1 ARG A 80 3.144 1.896 -9.472 1.00 0.00 N ATOM 1371 NH2 ARG A 80 1.769 3.635 -10.063 1.00 0.00 N ATOM 0 H ARG A 80 -1.952 -0.449 -4.671 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.241 -2.632 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.894 -1.527 -7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.809 -1.647 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.912 0.570 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.435 0.850 -6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.822 1.106 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.711 0.109 -8.283 1.00 0.00 H new ATOM 0 HE ARG A 80 0.169 2.597 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.316 1.049 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.861 2.251 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.881 4.129 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.489 3.987 -10.694 1.00 0.00 H new ATOM 1385 N LEU A 81 1.821 -1.157 -4.680 1.00 0.00 N ATOM 1386 CA LEU A 81 2.831 -0.538 -3.829 1.00 0.00 C ATOM 1387 C LEU A 81 3.939 0.084 -4.673 1.00 0.00 C ATOM 1388 O LEU A 81 4.466 -0.548 -5.589 1.00 0.00 O ATOM 1389 CB LEU A 81 3.423 -1.579 -2.875 1.00 0.00 C ATOM 1390 CG LEU A 81 4.062 -1.010 -1.607 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.309 -0.209 -1.952 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.063 -0.146 -0.851 1.00 0.00 C ATOM 0 H LEU A 81 2.189 -1.850 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 81 2.355 0.251 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.634 -2.273 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.174 -2.157 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 81 4.355 -1.840 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.751 0.188 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.030 -0.856 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.041 0.615 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.533 0.251 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.741 0.679 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.198 -0.748 -0.573 1.00 0.00 H new ATOM 1404 N GLY A 82 4.290 1.329 -4.360 1.00 0.00 N ATOM 1405 CA GLY A 82 5.332 2.011 -5.105 1.00 0.00 C ATOM 1406 C GLY A 82 6.080 3.029 -4.267 1.00 0.00 C ATOM 1407 O GLY A 82 6.030 2.989 -3.037 1.00 0.00 O ATOM 0 H GLY A 82 3.873 1.875 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.038 1.275 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.889 2.511 -5.967 1.00 0.00 H new ATOM 1411 N SER A 83 6.776 3.944 -4.935 1.00 0.00 N ATOM 1412 CA SER A 83 7.540 4.979 -4.247 1.00 0.00 C ATOM 1413 C SER A 83 7.397 6.322 -4.958 1.00 0.00 C ATOM 1414 O SER A 83 6.882 6.393 -6.074 1.00 0.00 O ATOM 1415 CB SER A 83 9.016 4.586 -4.169 1.00 0.00 C ATOM 1416 OG SER A 83 9.385 3.764 -5.263 1.00 0.00 O ATOM 0 H SER A 83 6.827 3.990 -5.953 1.00 0.00 H new ATOM 0 HA SER A 83 7.144 5.078 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.634 5.484 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.206 4.059 -3.234 1.00 0.00 H new ATOM 0 HG SER A 83 10.333 3.529 -5.190 1.00 0.00 H new ATOM 1422 N HIS A 84 7.855 7.384 -4.304 1.00 0.00 N ATOM 1423 CA HIS A 84 7.777 8.726 -4.873 1.00 0.00 C ATOM 1424 C HIS A 84 8.526 8.805 -6.199 1.00 0.00 C ATOM 1425 O HIS A 84 8.194 9.616 -7.062 1.00 0.00 O ATOM 1426 CB HIS A 84 8.346 9.751 -3.891 1.00 0.00 C ATOM 1427 CG HIS A 84 7.661 11.080 -3.949 1.00 0.00 C ATOM 1428 ND1 HIS A 84 7.749 12.019 -2.943 1.00 0.00 N ATOM 1429 CD2 HIS A 84 6.871 11.628 -4.904 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.043 13.084 -3.273 1.00 0.00 C ATOM 1431 NE2 HIS A 84 6.500 12.874 -4.458 1.00 0.00 N ATOM 0 H HIS A 84 8.284 7.342 -3.380 1.00 0.00 H new ATOM 0 HA HIS A 84 6.727 8.952 -5.059 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.267 9.355 -2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.407 9.889 -4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.586 11.171 -5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.929 13.976 -2.675 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.902 13.530 -4.961 1.00 0.00 H new ATOM 1440 N SER A 85 9.540 7.960 -6.356 1.00 0.00 N ATOM 1441 CA SER A 85 10.335 7.939 -7.579 1.00 0.00 C ATOM 1442 C SER A 85 9.749 6.969 -8.606 1.00 0.00 C ATOM 1443 O SER A 85 10.060 7.051 -9.794 1.00 0.00 O ATOM 1444 CB SER A 85 11.780 7.550 -7.264 1.00 0.00 C ATOM 1445 OG SER A 85 12.334 8.403 -6.278 1.00 0.00 O ATOM 0 H SER A 85 9.831 7.281 -5.652 1.00 0.00 H new ATOM 0 HA SER A 85 10.316 8.941 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.815 6.517 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.380 7.601 -8.173 1.00 0.00 H new ATOM 0 HG SER A 85 13.258 8.133 -6.093 1.00 0.00 H new ATOM 1451 N GLU A 86 8.906 6.050 -8.143 1.00 0.00 N ATOM 1452 CA GLU A 86 8.287 5.069 -9.026 1.00 0.00 C ATOM 1453 C GLU A 86 7.032 5.633 -9.685 1.00 0.00 C ATOM 1454 O GLU A 86 6.997 5.843 -10.898 1.00 0.00 O ATOM 1455 CB GLU A 86 7.941 3.799 -8.245 1.00 0.00 C ATOM 1456 CG GLU A 86 8.196 2.519 -9.024 1.00 0.00 C ATOM 1457 CD GLU A 86 6.971 2.041 -9.777 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.954 1.728 -9.123 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.028 1.981 -11.025 1.00 0.00 O ATOM 0 H GLU A 86 8.637 5.965 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 86 9.003 4.825 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.525 3.777 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.891 3.835 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.010 2.684 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.523 1.739 -8.337 1.00 0.00 H new ATOM 1466 N LEU A 87 6.001 5.871 -8.879 1.00 0.00 N ATOM 1467 CA LEU A 87 4.739 6.406 -9.382 1.00 0.00 C ATOM 1468 C LEU A 87 4.961 7.672 -10.202 1.00 0.00 C ATOM 1469 O LEU A 87 4.225 7.945 -11.152 1.00 0.00 O ATOM 1470 CB LEU A 87 3.789 6.696 -8.219 1.00 0.00 C ATOM 1471 CG LEU A 87 3.166 5.460 -7.568 1.00 0.00 C ATOM 1472 CD1 LEU A 87 4.159 4.796 -6.627 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.893 5.832 -6.825 1.00 0.00 C ATOM 0 H LEU A 87 6.015 5.702 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 87 4.292 5.655 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.332 7.254 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.988 7.342 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 87 2.909 4.750 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.699 3.918 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.044 4.493 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.447 5.500 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.464 4.940 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.125 6.561 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.176 6.262 -7.524 1.00 0.00 H new ATOM 1485 N PHE A 88 5.979 8.442 -9.835 1.00 0.00 N ATOM 1486 CA PHE A 88 6.294 9.679 -10.540 1.00 0.00 C ATOM 1487 C PHE A 88 7.566 9.524 -11.369 1.00 0.00 C ATOM 1488 O PHE A 88 8.064 10.548 -11.885 1.00 0.00 O ATOM 1489 CB PHE A 88 6.454 10.831 -9.548 1.00 0.00 C ATOM 1490 CG PHE A 88 5.181 11.201 -8.844 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.799 10.542 -7.687 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.366 12.206 -9.341 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.627 10.881 -7.036 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.194 12.547 -8.695 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.823 11.885 -7.541 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.053 8.381 -11.496 1.00 0.00 O ATOM 0 H PHE A 88 6.600 8.232 -9.054 1.00 0.00 H new ATOM 0 HA PHE A 88 5.468 9.904 -11.214 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.204 10.558 -8.805 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.833 11.705 -10.077 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.423 9.755 -7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.650 12.728 -10.243 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.340 10.361 -6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.567 13.332 -9.092 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.907 12.151 -7.035 1.00 0.00 H new