USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= -7.07! C(o=-7.5!,f=-10!) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.468 K(o=-7.5,f=-12!) USER MOD Set 2.1: A 41 HIS : no HD1:sc= -1.39 K(o=-2.7,f=-4.4) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -1.35 K(o=-2.7,f=-6.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.875 F(o=-2.7,f=-0.88) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.8!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 39 SER OG : rot -28:sc= 0.0445 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -119:sc= -0.148 (180deg=-0.804) USER MOD Single : A 49 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.025) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -1.34 F(o=-3.7!,f=-1.3) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -159:sc= -2.39 (180deg=-2.99) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.91! C(o=-3.9!,f=-7.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 83 LYS NZ :NH3+ -133:sc= -0.0323 (180deg=-0.151) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 70.073 -7.149 -7.996 1.00 0.00 N ATOM 2 CA PRO A 1 71.336 -7.383 -8.763 1.00 0.00 C ATOM 3 C PRO A 1 71.589 -6.210 -9.713 1.00 0.00 C ATOM 4 O PRO A 1 70.802 -5.935 -10.596 1.00 0.00 O ATOM 5 CB PRO A 1 71.176 -8.674 -9.565 1.00 0.00 C ATOM 6 CG PRO A 1 69.786 -9.221 -9.270 1.00 0.00 C ATOM 7 CD PRO A 1 69.115 -8.258 -8.294 1.00 0.00 C ATOM 0 H2 PRO A 1 69.665 -6.251 -8.254 1.00 0.00 H new ATOM 0 H3 PRO A 1 70.269 -7.111 -6.996 1.00 0.00 H new ATOM 0 HA PRO A 1 72.181 -7.467 -8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 1 71.295 -8.481 -10.631 1.00 0.00 H new ATOM 0 HB3 PRO A 1 71.941 -9.398 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 1 69.204 -9.305 -10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 1 69.850 -10.221 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 1 68.196 -7.860 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 1 68.839 -8.778 -7.377 1.00 0.00 H new ATOM 17 N ILE A 2 72.683 -5.519 -9.540 1.00 0.00 N ATOM 18 CA ILE A 2 72.988 -4.366 -10.432 1.00 0.00 C ATOM 19 C ILE A 2 72.686 -4.748 -11.882 1.00 0.00 C ATOM 20 O ILE A 2 72.607 -5.913 -12.222 1.00 0.00 O ATOM 21 CB ILE A 2 74.467 -3.997 -10.299 1.00 0.00 C ATOM 22 CG1 ILE A 2 74.857 -3.993 -8.818 1.00 0.00 C ATOM 23 CG2 ILE A 2 74.707 -2.608 -10.890 1.00 0.00 C ATOM 24 CD1 ILE A 2 75.829 -5.142 -8.543 1.00 0.00 C ATOM 0 H ILE A 2 73.379 -5.704 -8.818 1.00 0.00 H new ATOM 0 HA ILE A 2 72.373 -3.513 -10.146 1.00 0.00 H new ATOM 0 HB ILE A 2 75.072 -4.727 -10.837 1.00 0.00 H new ATOM 0 HG12 ILE A 2 75.319 -3.041 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 2 73.968 -4.098 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 2 75.761 -2.349 -10.793 1.00 0.00 H new ATOM 0 HG22 ILE A 2 74.428 -2.608 -11.944 1.00 0.00 H new ATOM 0 HG23 ILE A 2 74.103 -1.876 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 2 76.107 -5.139 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 2 75.351 -6.090 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 2 76.723 -5.017 -9.154 1.00 0.00 H new ATOM 36 N THR A 3 72.515 -3.781 -12.742 1.00 0.00 N ATOM 37 CA THR A 3 72.219 -4.091 -14.163 1.00 0.00 C ATOM 38 C THR A 3 72.387 -2.825 -15.014 1.00 0.00 C ATOM 39 O THR A 3 72.957 -1.844 -14.581 1.00 0.00 O ATOM 40 CB THR A 3 70.788 -4.659 -14.277 1.00 0.00 C ATOM 41 OG1 THR A 3 70.789 -5.743 -15.196 1.00 0.00 O ATOM 42 CG2 THR A 3 69.797 -3.593 -14.761 1.00 0.00 C ATOM 0 H THR A 3 72.568 -2.787 -12.517 1.00 0.00 H new ATOM 0 HA THR A 3 72.916 -4.842 -14.534 1.00 0.00 H new ATOM 0 HB THR A 3 70.475 -4.993 -13.288 1.00 0.00 H new ATOM 0 HG1 THR A 3 69.883 -6.109 -15.271 1.00 0.00 H new ATOM 0 HG21 THR A 3 68.800 -4.028 -14.830 1.00 0.00 H new ATOM 0 HG22 THR A 3 69.783 -2.762 -14.055 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.103 -3.230 -15.742 1.00 0.00 H new ATOM 50 N LYS A 4 71.895 -2.846 -16.223 1.00 0.00 N ATOM 51 CA LYS A 4 72.025 -1.655 -17.108 1.00 0.00 C ATOM 52 C LYS A 4 71.665 -0.385 -16.331 1.00 0.00 C ATOM 53 O LYS A 4 72.527 0.306 -15.822 1.00 0.00 O ATOM 54 CB LYS A 4 71.080 -1.804 -18.302 1.00 0.00 C ATOM 55 CG LYS A 4 71.047 -0.496 -19.095 1.00 0.00 C ATOM 56 CD LYS A 4 72.462 -0.140 -19.551 1.00 0.00 C ATOM 57 CE LYS A 4 73.090 0.834 -18.552 1.00 0.00 C ATOM 58 NZ LYS A 4 73.857 1.878 -19.289 1.00 0.00 N ATOM 0 H LYS A 4 71.407 -3.640 -16.637 1.00 0.00 H new ATOM 0 HA LYS A 4 73.054 -1.581 -17.459 1.00 0.00 H new ATOM 0 HB2 LYS A 4 71.412 -2.621 -18.942 1.00 0.00 H new ATOM 0 HB3 LYS A 4 70.078 -2.057 -17.956 1.00 0.00 H new ATOM 0 HG2 LYS A 4 70.390 -0.599 -19.959 1.00 0.00 H new ATOM 0 HG3 LYS A 4 70.640 0.305 -18.478 1.00 0.00 H new ATOM 0 HD2 LYS A 4 73.069 -1.042 -19.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 72.433 0.309 -20.544 1.00 0.00 H new ATOM 0 HE2 LYS A 4 72.314 1.299 -17.945 1.00 0.00 H new ATOM 0 HE3 LYS A 4 73.749 0.297 -17.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 74.284 2.540 -18.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 74.607 1.426 -19.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 73.216 2.397 -19.922 1.00 0.00 H new ATOM 72 N GLU A 5 70.403 -0.062 -16.249 1.00 0.00 N ATOM 73 CA GLU A 5 69.996 1.170 -15.521 1.00 0.00 C ATOM 74 C GLU A 5 69.755 0.858 -14.052 1.00 0.00 C ATOM 75 O GLU A 5 69.123 1.608 -13.334 1.00 0.00 O ATOM 76 CB GLU A 5 68.717 1.724 -16.136 1.00 0.00 C ATOM 77 CG GLU A 5 69.021 3.036 -16.860 1.00 0.00 C ATOM 78 CD GLU A 5 69.125 4.171 -15.839 1.00 0.00 C ATOM 79 OE1 GLU A 5 68.711 3.964 -14.710 1.00 0.00 O ATOM 80 OE2 GLU A 5 69.618 5.225 -16.202 1.00 0.00 O ATOM 0 H GLU A 5 69.637 -0.599 -16.655 1.00 0.00 H new ATOM 0 HA GLU A 5 70.794 1.908 -15.601 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.295 1.001 -16.834 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.971 1.890 -15.359 1.00 0.00 H new ATOM 0 HG2 GLU A 5 69.953 2.948 -17.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 68.236 3.255 -17.584 1.00 0.00 H new ATOM 87 N GLU A 6 70.266 -0.236 -13.606 1.00 0.00 N ATOM 88 CA GLU A 6 70.095 -0.619 -12.180 1.00 0.00 C ATOM 89 C GLU A 6 71.211 -0.001 -11.351 1.00 0.00 C ATOM 90 O GLU A 6 71.344 -0.241 -10.168 1.00 0.00 O ATOM 91 CB GLU A 6 70.153 -2.132 -12.058 1.00 0.00 C ATOM 92 CG GLU A 6 68.753 -2.719 -12.251 1.00 0.00 C ATOM 93 CD GLU A 6 67.921 -2.483 -10.990 1.00 0.00 C ATOM 94 OE1 GLU A 6 68.070 -3.250 -10.054 1.00 0.00 O ATOM 95 OE2 GLU A 6 67.148 -1.540 -10.982 1.00 0.00 O ATOM 0 H GLU A 6 70.803 -0.896 -14.168 1.00 0.00 H new ATOM 0 HA GLU A 6 69.132 -0.258 -11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.835 -2.541 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 6 70.544 -2.413 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 6 68.269 -2.256 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 6 68.821 -3.787 -12.460 1.00 0.00 H new ATOM 102 N LYS A 7 72.003 0.793 -11.981 1.00 0.00 N ATOM 103 CA LYS A 7 73.129 1.460 -11.280 1.00 0.00 C ATOM 104 C LYS A 7 73.272 2.898 -11.785 1.00 0.00 C ATOM 105 O LYS A 7 73.614 3.794 -11.037 1.00 0.00 O ATOM 106 CB LYS A 7 74.424 0.691 -11.544 1.00 0.00 C ATOM 107 CG LYS A 7 74.740 0.722 -13.041 1.00 0.00 C ATOM 108 CD LYS A 7 75.707 1.870 -13.333 1.00 0.00 C ATOM 109 CE LYS A 7 77.079 1.545 -12.740 1.00 0.00 C ATOM 110 NZ LYS A 7 78.125 1.707 -13.788 1.00 0.00 N ATOM 0 H LYS A 7 71.923 1.018 -12.973 1.00 0.00 H new ATOM 0 HA LYS A 7 72.929 1.474 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.244 1.134 -10.979 1.00 0.00 H new ATOM 0 HB3 LYS A 7 74.323 -0.340 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.180 -0.226 -13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.822 0.850 -13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.791 2.024 -14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.326 2.798 -12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.288 2.204 -11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 7 77.089 0.525 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 79.058 1.486 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.928 1.061 -14.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 78.121 2.688 -14.134 1.00 0.00 H new ATOM 124 N GLN A 8 73.015 3.130 -13.042 1.00 0.00 N ATOM 125 CA GLN A 8 73.138 4.511 -13.584 1.00 0.00 C ATOM 126 C GLN A 8 72.284 5.460 -12.741 1.00 0.00 C ATOM 127 O GLN A 8 72.705 6.546 -12.391 1.00 0.00 O ATOM 128 CB GLN A 8 72.653 4.540 -15.035 1.00 0.00 C ATOM 129 CG GLN A 8 73.791 4.111 -15.964 1.00 0.00 C ATOM 130 CD GLN A 8 75.001 5.022 -15.744 1.00 0.00 C ATOM 131 OE1 GLN A 8 74.816 6.242 -15.320 1.00 0.00 O flip ATOM 132 NE2 GLN A 8 76.127 4.620 -15.962 1.00 0.00 N flip ATOM 0 H GLN A 8 72.725 2.423 -13.717 1.00 0.00 H new ATOM 0 HA GLN A 8 74.181 4.825 -13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 8 71.799 3.874 -15.157 1.00 0.00 H new ATOM 0 HB3 GLN A 8 72.315 5.543 -15.296 1.00 0.00 H new ATOM 0 HG2 GLN A 8 74.063 3.074 -15.768 1.00 0.00 H new ATOM 0 HG3 GLN A 8 73.466 4.165 -17.003 1.00 0.00 H new ATOM 0 HE21 GLN A 8 76.273 3.666 -16.293 1.00 0.00 H new ATOM 0 HE22 GLN A 8 76.926 5.236 -15.813 1.00 0.00 H new ATOM 141 N LYS A 9 71.088 5.059 -12.414 1.00 0.00 N ATOM 142 CA LYS A 9 70.206 5.933 -11.596 1.00 0.00 C ATOM 143 C LYS A 9 70.700 5.949 -10.148 1.00 0.00 C ATOM 144 O LYS A 9 70.464 6.885 -9.411 1.00 0.00 O ATOM 145 CB LYS A 9 68.773 5.397 -11.639 1.00 0.00 C ATOM 146 CG LYS A 9 68.755 3.943 -11.158 1.00 0.00 C ATOM 147 CD LYS A 9 67.370 3.604 -10.605 1.00 0.00 C ATOM 148 CE LYS A 9 67.453 2.326 -9.768 1.00 0.00 C ATOM 149 NZ LYS A 9 66.230 1.504 -9.992 1.00 0.00 N ATOM 0 H LYS A 9 70.683 4.161 -12.679 1.00 0.00 H new ATOM 0 HA LYS A 9 70.228 6.946 -11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.126 6.007 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.380 5.460 -12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 9 69.003 3.274 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 9 69.512 3.795 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.999 4.427 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.663 3.470 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 9 68.342 1.757 -10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 9 67.547 2.576 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 66.287 0.635 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 65.390 2.048 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.159 1.254 -10.999 1.00 0.00 H new ATOM 163 N VAL A 10 71.384 4.917 -9.734 1.00 0.00 N ATOM 164 CA VAL A 10 71.891 4.869 -8.336 1.00 0.00 C ATOM 165 C VAL A 10 72.932 5.968 -8.127 1.00 0.00 C ATOM 166 O VAL A 10 72.810 6.793 -7.245 1.00 0.00 O ATOM 167 CB VAL A 10 72.531 3.505 -8.073 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.234 3.523 -6.714 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.446 2.425 -8.070 1.00 0.00 C ATOM 0 H VAL A 10 71.613 4.104 -10.306 1.00 0.00 H new ATOM 0 HA VAL A 10 71.061 5.022 -7.646 1.00 0.00 H new ATOM 0 HB VAL A 10 73.259 3.289 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.690 2.551 -6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 74.007 4.292 -6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.507 3.739 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.901 1.452 -7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.719 2.642 -7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.944 2.410 -9.038 1.00 0.00 H new ATOM 179 N ILE A 11 73.957 5.977 -8.929 1.00 0.00 N ATOM 180 CA ILE A 11 75.013 7.013 -8.781 1.00 0.00 C ATOM 181 C ILE A 11 74.471 8.356 -9.239 1.00 0.00 C ATOM 182 O ILE A 11 74.648 9.374 -8.603 1.00 0.00 O ATOM 183 CB ILE A 11 76.246 6.622 -9.608 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.210 7.192 -11.041 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.355 5.100 -9.673 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.288 6.356 -11.919 1.00 0.00 C ATOM 0 H ILE A 11 74.109 5.308 -9.684 1.00 0.00 H new ATOM 0 HA ILE A 11 75.307 7.088 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 11 77.115 7.051 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.865 8.226 -11.020 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.215 7.200 -11.462 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.230 4.823 -10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.453 4.699 -8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.460 4.691 -10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.272 6.770 -12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.651 5.329 -11.954 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.280 6.370 -11.505 1.00 0.00 H new ATOM 198 N GLN A 12 73.820 8.344 -10.351 1.00 0.00 N ATOM 199 CA GLN A 12 73.234 9.600 -10.911 1.00 0.00 C ATOM 200 C GLN A 12 72.688 10.433 -9.756 1.00 0.00 C ATOM 201 O GLN A 12 72.788 11.643 -9.735 1.00 0.00 O ATOM 202 CB GLN A 12 72.096 9.253 -11.875 1.00 0.00 C ATOM 203 CG GLN A 12 72.621 9.272 -13.313 1.00 0.00 C ATOM 204 CD GLN A 12 71.495 9.689 -14.262 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.643 10.477 -13.904 1.00 0.00 O ATOM 206 NE2 GLN A 12 71.455 9.188 -15.466 1.00 0.00 N ATOM 0 H GLN A 12 73.660 7.509 -10.915 1.00 0.00 H new ATOM 0 HA GLN A 12 73.997 10.160 -11.452 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.691 8.269 -11.637 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.281 9.968 -11.765 1.00 0.00 H new ATOM 0 HG2 GLN A 12 73.457 9.966 -13.397 1.00 0.00 H new ATOM 0 HG3 GLN A 12 72.996 8.286 -13.588 1.00 0.00 H new ATOM 0 HE21 GLN A 12 72.170 8.526 -15.767 1.00 0.00 H new ATOM 0 HE22 GLN A 12 70.708 9.458 -16.106 1.00 0.00 H new ATOM 215 N GLU A 13 72.137 9.772 -8.778 1.00 0.00 N ATOM 216 CA GLU A 13 71.609 10.486 -7.594 1.00 0.00 C ATOM 217 C GLU A 13 72.724 10.581 -6.550 1.00 0.00 C ATOM 218 O GLU A 13 72.845 11.557 -5.836 1.00 0.00 O ATOM 219 CB GLU A 13 70.421 9.716 -7.012 1.00 0.00 C ATOM 220 CG GLU A 13 69.402 10.703 -6.440 1.00 0.00 C ATOM 221 CD GLU A 13 69.703 10.948 -4.960 1.00 0.00 C ATOM 222 OE1 GLU A 13 70.590 11.737 -4.679 1.00 0.00 O ATOM 223 OE2 GLU A 13 69.042 10.343 -4.133 1.00 0.00 O ATOM 0 H GLU A 13 72.031 8.758 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 13 71.275 11.484 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 13 69.956 9.105 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.762 9.036 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.442 11.643 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.393 10.308 -6.556 1.00 0.00 H new ATOM 230 N PHE A 14 73.538 9.562 -6.462 1.00 0.00 N ATOM 231 CA PHE A 14 74.647 9.563 -5.479 1.00 0.00 C ATOM 232 C PHE A 14 75.900 10.177 -6.107 1.00 0.00 C ATOM 233 O PHE A 14 76.332 11.248 -5.729 1.00 0.00 O ATOM 234 CB PHE A 14 74.936 8.125 -5.051 1.00 0.00 C ATOM 235 CG PHE A 14 73.917 7.701 -4.023 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.743 8.459 -2.861 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.144 6.552 -4.232 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.797 8.073 -1.908 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.196 6.163 -3.277 1.00 0.00 C ATOM 240 CZ PHE A 14 72.023 6.925 -2.114 1.00 0.00 C ATOM 0 H PHE A 14 73.476 8.723 -7.038 1.00 0.00 H new ATOM 0 HA PHE A 14 74.362 10.155 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.898 7.461 -5.914 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.941 8.051 -4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.341 9.344 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.279 5.966 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.663 8.661 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.599 5.277 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.293 6.627 -1.377 1.00 0.00 H new ATOM 250 N ALA A 15 76.492 9.511 -7.062 1.00 0.00 N ATOM 251 CA ALA A 15 77.714 10.067 -7.702 1.00 0.00 C ATOM 252 C ALA A 15 77.374 11.379 -8.403 1.00 0.00 C ATOM 253 O ALA A 15 76.542 11.424 -9.286 1.00 0.00 O ATOM 254 CB ALA A 15 78.257 9.079 -8.734 1.00 0.00 C ATOM 0 H ALA A 15 76.182 8.609 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 15 78.466 10.242 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.152 9.493 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.506 8.139 -8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.501 8.900 -9.499 1.00 0.00 H new ATOM 260 N ARG A 16 78.022 12.445 -8.030 1.00 0.00 N ATOM 261 CA ARG A 16 77.741 13.746 -8.694 1.00 0.00 C ATOM 262 C ARG A 16 78.726 13.932 -9.841 1.00 0.00 C ATOM 263 O ARG A 16 79.105 15.035 -10.184 1.00 0.00 O ATOM 264 CB ARG A 16 77.888 14.892 -7.688 1.00 0.00 C ATOM 265 CG ARG A 16 79.068 14.612 -6.754 1.00 0.00 C ATOM 266 CD ARG A 16 78.552 13.996 -5.453 1.00 0.00 C ATOM 267 NE ARG A 16 77.968 15.064 -4.594 1.00 0.00 N ATOM 268 CZ ARG A 16 77.099 14.758 -3.669 1.00 0.00 C ATOM 269 NH1 ARG A 16 76.013 14.105 -3.984 1.00 0.00 N ATOM 270 NH2 ARG A 16 77.317 15.102 -2.430 1.00 0.00 N ATOM 0 H ARG A 16 78.731 12.472 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 16 76.721 13.751 -9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.045 15.833 -8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.971 15.000 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 16 79.774 13.935 -7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 16 79.606 15.536 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.800 13.238 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.366 13.496 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 16 78.248 16.036 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 16 75.844 13.834 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 16 75.334 13.866 -3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 16 78.166 15.610 -2.184 1.00 0.00 H new ATOM 0 HH22 ARG A 16 76.638 14.863 -1.707 1.00 0.00 H new ATOM 284 N PHE A 17 79.148 12.851 -10.432 1.00 0.00 N ATOM 285 CA PHE A 17 80.115 12.939 -11.556 1.00 0.00 C ATOM 286 C PHE A 17 80.285 11.548 -12.163 1.00 0.00 C ATOM 287 O PHE A 17 79.844 10.569 -11.594 1.00 0.00 O ATOM 288 CB PHE A 17 81.460 13.433 -11.016 1.00 0.00 C ATOM 289 CG PHE A 17 81.552 14.932 -11.177 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.335 15.517 -12.431 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.854 15.736 -10.073 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.418 16.906 -12.579 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.937 17.127 -10.221 1.00 0.00 C ATOM 294 CZ PHE A 17 81.720 17.712 -11.474 1.00 0.00 C ATOM 0 H PHE A 17 78.862 11.904 -10.182 1.00 0.00 H new ATOM 0 HA PHE A 17 79.753 13.631 -12.317 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.562 13.163 -9.965 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.278 12.949 -11.550 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.104 14.896 -13.284 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.023 15.285 -9.106 1.00 0.00 H new ATOM 0 HE1 PHE A 17 81.249 17.357 -13.546 1.00 0.00 H new ATOM 0 HE2 PHE A 17 82.168 17.748 -9.368 1.00 0.00 H new ATOM 0 HZ PHE A 17 81.785 18.784 -11.589 1.00 0.00 H new ATOM 304 N PRO A 18 80.935 11.497 -13.294 1.00 0.00 N ATOM 305 CA PRO A 18 81.197 10.229 -13.992 1.00 0.00 C ATOM 306 C PRO A 18 82.293 9.447 -13.259 1.00 0.00 C ATOM 307 O PRO A 18 82.689 8.376 -13.672 1.00 0.00 O ATOM 308 CB PRO A 18 81.648 10.671 -15.387 1.00 0.00 C ATOM 309 CG PRO A 18 82.143 12.129 -15.241 1.00 0.00 C ATOM 310 CD PRO A 18 81.472 12.692 -13.977 1.00 0.00 C ATOM 0 HA PRO A 18 80.334 9.564 -14.035 1.00 0.00 H new ATOM 0 HB2 PRO A 18 82.443 10.026 -15.761 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.825 10.609 -16.099 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.229 12.163 -15.152 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.876 12.719 -16.118 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.187 13.223 -13.349 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.680 13.399 -14.226 1.00 0.00 H new ATOM 318 N GLY A 19 82.773 9.977 -12.165 1.00 0.00 N ATOM 319 CA GLY A 19 83.828 9.275 -11.390 1.00 0.00 C ATOM 320 C GLY A 19 83.399 9.187 -9.922 1.00 0.00 C ATOM 321 O GLY A 19 84.073 8.592 -9.106 1.00 0.00 O ATOM 0 H GLY A 19 82.475 10.872 -11.776 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.990 8.276 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.774 9.810 -11.474 1.00 0.00 H new ATOM 325 N ASP A 20 82.276 9.771 -9.577 1.00 0.00 N ATOM 326 CA ASP A 20 81.812 9.709 -8.168 1.00 0.00 C ATOM 327 C ASP A 20 80.924 8.485 -7.981 1.00 0.00 C ATOM 328 O ASP A 20 80.169 8.378 -7.035 1.00 0.00 O ATOM 329 CB ASP A 20 81.035 10.980 -7.817 1.00 0.00 C ATOM 330 CG ASP A 20 82.015 12.134 -7.596 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.813 12.386 -8.485 1.00 0.00 O ATOM 332 OD2 ASP A 20 81.953 12.745 -6.543 1.00 0.00 O ATOM 0 H ASP A 20 81.667 10.285 -10.213 1.00 0.00 H new ATOM 0 HA ASP A 20 82.675 9.633 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 20 80.341 11.228 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.439 10.818 -6.919 1.00 0.00 H new ATOM 337 N THR A 21 81.032 7.560 -8.879 1.00 0.00 N ATOM 338 CA THR A 21 80.225 6.310 -8.790 1.00 0.00 C ATOM 339 C THR A 21 81.009 5.280 -7.981 1.00 0.00 C ATOM 340 O THR A 21 80.453 4.358 -7.418 1.00 0.00 O ATOM 341 CB THR A 21 79.964 5.768 -10.197 1.00 0.00 C ATOM 342 OG1 THR A 21 81.159 5.194 -10.710 1.00 0.00 O ATOM 343 CG2 THR A 21 79.511 6.909 -11.109 1.00 0.00 C ATOM 0 H THR A 21 81.653 7.611 -9.686 1.00 0.00 H new ATOM 0 HA THR A 21 79.271 6.515 -8.305 1.00 0.00 H new ATOM 0 HB THR A 21 79.184 5.008 -10.156 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.994 4.845 -11.611 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.325 6.522 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.595 7.349 -10.714 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.289 7.671 -11.153 1.00 0.00 H new ATOM 351 N GLY A 22 82.301 5.443 -7.911 1.00 0.00 N ATOM 352 CA GLY A 22 83.132 4.489 -7.128 1.00 0.00 C ATOM 353 C GLY A 22 83.423 5.098 -5.757 1.00 0.00 C ATOM 354 O GLY A 22 83.926 4.441 -4.867 1.00 0.00 O ATOM 0 H GLY A 22 82.817 6.197 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.610 3.539 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 22 84.064 4.281 -7.654 1.00 0.00 H new ATOM 358 N SER A 23 83.108 6.354 -5.578 1.00 0.00 N ATOM 359 CA SER A 23 83.362 7.007 -4.263 1.00 0.00 C ATOM 360 C SER A 23 82.900 6.077 -3.140 1.00 0.00 C ATOM 361 O SER A 23 82.232 5.090 -3.375 1.00 0.00 O ATOM 362 CB SER A 23 82.590 8.326 -4.191 1.00 0.00 C ATOM 363 OG SER A 23 83.486 9.407 -4.414 1.00 0.00 O ATOM 0 H SER A 23 82.686 6.955 -6.286 1.00 0.00 H new ATOM 0 HA SER A 23 84.428 7.208 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 23 81.796 8.337 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.113 8.429 -3.216 1.00 0.00 H new ATOM 0 HG SER A 23 82.994 10.254 -4.370 1.00 0.00 H new ATOM 369 N THR A 24 83.252 6.379 -1.919 1.00 0.00 N ATOM 370 CA THR A 24 82.832 5.505 -0.788 1.00 0.00 C ATOM 371 C THR A 24 81.397 5.846 -0.378 1.00 0.00 C ATOM 372 O THR A 24 80.703 5.041 0.208 1.00 0.00 O ATOM 373 CB THR A 24 83.768 5.722 0.404 1.00 0.00 C ATOM 374 OG1 THR A 24 85.016 5.094 0.144 1.00 0.00 O ATOM 375 CG2 THR A 24 83.143 5.118 1.663 1.00 0.00 C ATOM 0 H THR A 24 83.811 7.191 -1.657 1.00 0.00 H new ATOM 0 HA THR A 24 82.880 4.463 -1.103 1.00 0.00 H new ATOM 0 HB THR A 24 83.923 6.790 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.617 5.233 0.905 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.810 5.273 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.186 5.600 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.987 4.049 1.515 1.00 0.00 H new ATOM 383 N GLU A 25 80.949 7.031 -0.676 1.00 0.00 N ATOM 384 CA GLU A 25 79.563 7.415 -0.301 1.00 0.00 C ATOM 385 C GLU A 25 78.583 6.745 -1.260 1.00 0.00 C ATOM 386 O GLU A 25 77.557 6.229 -0.862 1.00 0.00 O ATOM 387 CB GLU A 25 79.419 8.930 -0.407 1.00 0.00 C ATOM 388 CG GLU A 25 80.103 9.587 0.789 1.00 0.00 C ATOM 389 CD GLU A 25 79.539 10.994 0.994 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.755 11.828 0.130 1.00 0.00 O ATOM 391 OE2 GLU A 25 78.903 11.214 2.010 1.00 0.00 O ATOM 0 H GLU A 25 81.483 7.751 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 25 79.352 7.097 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.865 9.285 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.365 9.206 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.946 8.987 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.179 9.636 0.623 1.00 0.00 H new ATOM 398 N VAL A 26 78.893 6.761 -2.524 1.00 0.00 N ATOM 399 CA VAL A 26 77.988 6.138 -3.525 1.00 0.00 C ATOM 400 C VAL A 26 77.935 4.624 -3.315 1.00 0.00 C ATOM 401 O VAL A 26 76.912 4.002 -3.518 1.00 0.00 O ATOM 402 CB VAL A 26 78.498 6.446 -4.933 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.610 5.750 -5.966 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.458 7.958 -5.166 1.00 0.00 C ATOM 0 H VAL A 26 79.739 7.181 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 26 76.985 6.546 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 26 79.521 6.085 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.976 5.971 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.635 4.673 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.586 6.109 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.821 8.181 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.433 8.315 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.091 8.456 -4.432 1.00 0.00 H new ATOM 414 N GLN A 27 79.017 4.018 -2.905 1.00 0.00 N ATOM 415 CA GLN A 27 78.985 2.551 -2.688 1.00 0.00 C ATOM 416 C GLN A 27 78.282 2.269 -1.367 1.00 0.00 C ATOM 417 O GLN A 27 77.494 1.354 -1.257 1.00 0.00 O ATOM 418 CB GLN A 27 80.409 1.988 -2.661 1.00 0.00 C ATOM 419 CG GLN A 27 81.182 2.592 -1.488 1.00 0.00 C ATOM 420 CD GLN A 27 80.972 1.732 -0.239 1.00 0.00 C ATOM 421 OE1 GLN A 27 80.100 0.887 -0.208 1.00 0.00 O ATOM 422 NE2 GLN A 27 81.742 1.911 0.799 1.00 0.00 N ATOM 0 H GLN A 27 79.910 4.473 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 27 78.445 2.070 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.379 0.902 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.917 2.214 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 27 82.244 2.648 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 27 80.843 3.611 -1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.475 2.620 0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 27 81.611 1.342 1.635 1.00 0.00 H new ATOM 431 N VAL A 28 78.537 3.063 -0.367 1.00 0.00 N ATOM 432 CA VAL A 28 77.852 2.845 0.932 1.00 0.00 C ATOM 433 C VAL A 28 76.352 2.783 0.657 1.00 0.00 C ATOM 434 O VAL A 28 75.622 2.056 1.298 1.00 0.00 O ATOM 435 CB VAL A 28 78.167 4.009 1.878 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.226 3.976 3.084 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.614 3.890 2.363 1.00 0.00 C ATOM 0 H VAL A 28 79.187 3.849 -0.393 1.00 0.00 H new ATOM 0 HA VAL A 28 78.189 1.920 1.400 1.00 0.00 H new ATOM 0 HB VAL A 28 78.030 4.949 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.458 4.807 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.194 4.062 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.354 3.035 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.841 4.717 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.744 2.946 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.288 3.923 1.507 1.00 0.00 H new ATOM 447 N ALA A 29 75.887 3.528 -0.313 1.00 0.00 N ATOM 448 CA ALA A 29 74.441 3.489 -0.638 1.00 0.00 C ATOM 449 C ALA A 29 74.114 2.118 -1.222 1.00 0.00 C ATOM 450 O ALA A 29 73.119 1.510 -0.883 1.00 0.00 O ATOM 451 CB ALA A 29 74.106 4.576 -1.659 1.00 0.00 C ATOM 0 H ALA A 29 76.448 4.157 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 29 73.854 3.664 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.042 4.540 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.354 5.553 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.683 4.411 -2.569 1.00 0.00 H new ATOM 457 N LEU A 30 74.955 1.616 -2.086 1.00 0.00 N ATOM 458 CA LEU A 30 74.693 0.280 -2.668 1.00 0.00 C ATOM 459 C LEU A 30 74.908 -0.776 -1.578 1.00 0.00 C ATOM 460 O LEU A 30 74.538 -1.923 -1.727 1.00 0.00 O ATOM 461 CB LEU A 30 75.637 0.044 -3.860 1.00 0.00 C ATOM 462 CG LEU A 30 76.944 -0.612 -3.402 1.00 0.00 C ATOM 463 CD1 LEU A 30 76.837 -2.130 -3.562 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.101 -0.091 -4.257 1.00 0.00 C ATOM 0 H LEU A 30 75.807 2.075 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 30 73.667 0.214 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.146 -0.591 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.854 0.993 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 30 77.125 -0.369 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.767 -2.597 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.012 -2.503 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.656 -2.374 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.032 -0.557 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 30 77.919 -0.335 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.178 0.990 -4.145 1.00 0.00 H new ATOM 476 N LEU A 31 75.504 -0.387 -0.480 1.00 0.00 N ATOM 477 CA LEU A 31 75.742 -1.349 0.622 1.00 0.00 C ATOM 478 C LEU A 31 74.386 -1.713 1.232 1.00 0.00 C ATOM 479 O LEU A 31 74.175 -2.803 1.724 1.00 0.00 O ATOM 480 CB LEU A 31 76.659 -0.697 1.678 1.00 0.00 C ATOM 481 CG LEU A 31 75.817 -0.039 2.771 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.420 -1.092 3.808 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.619 1.068 3.455 1.00 0.00 C ATOM 0 H LEU A 31 75.835 0.562 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 31 76.231 -2.251 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.314 -1.450 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.300 0.047 1.205 1.00 0.00 H new ATOM 0 HG LEU A 31 74.923 0.393 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.819 -0.625 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.840 -1.878 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.318 -1.524 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.011 1.531 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.518 0.643 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.901 1.821 2.719 1.00 0.00 H new ATOM 495 N THR A 32 73.468 -0.783 1.197 1.00 0.00 N ATOM 496 CA THR A 32 72.118 -1.028 1.765 1.00 0.00 C ATOM 497 C THR A 32 71.303 -1.866 0.772 1.00 0.00 C ATOM 498 O THR A 32 70.538 -2.729 1.152 1.00 0.00 O ATOM 499 CB THR A 32 71.446 0.338 2.044 1.00 0.00 C ATOM 500 OG1 THR A 32 70.975 0.360 3.383 1.00 0.00 O ATOM 501 CG2 THR A 32 70.269 0.593 1.093 1.00 0.00 C ATOM 0 H THR A 32 73.602 0.144 0.794 1.00 0.00 H new ATOM 0 HA THR A 32 72.180 -1.581 2.702 1.00 0.00 H new ATOM 0 HB THR A 32 72.188 1.120 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.550 1.224 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.822 1.561 1.319 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.626 0.589 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.522 -0.190 1.221 1.00 0.00 H new ATOM 509 N LEU A 33 71.466 -1.614 -0.498 1.00 0.00 N ATOM 510 CA LEU A 33 70.709 -2.389 -1.517 1.00 0.00 C ATOM 511 C LEU A 33 71.112 -3.862 -1.438 1.00 0.00 C ATOM 512 O LEU A 33 70.280 -4.740 -1.327 1.00 0.00 O ATOM 513 CB LEU A 33 71.033 -1.846 -2.910 1.00 0.00 C ATOM 514 CG LEU A 33 69.747 -1.737 -3.731 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.532 -0.281 -4.150 1.00 0.00 C ATOM 516 CD2 LEU A 33 69.865 -2.614 -4.980 1.00 0.00 C ATOM 0 H LEU A 33 72.093 -0.902 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 33 69.640 -2.294 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.508 -0.868 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.742 -2.504 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 33 68.902 -2.071 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.616 -0.202 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.450 0.345 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.377 0.053 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.949 -2.537 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.710 -2.279 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.020 -3.651 -4.683 1.00 0.00 H new ATOM 528 N ARG A 34 72.385 -4.141 -1.497 1.00 0.00 N ATOM 529 CA ARG A 34 72.846 -5.556 -1.427 1.00 0.00 C ATOM 530 C ARG A 34 72.404 -6.176 -0.101 1.00 0.00 C ATOM 531 O ARG A 34 72.442 -7.378 0.077 1.00 0.00 O ATOM 532 CB ARG A 34 74.371 -5.597 -1.523 1.00 0.00 C ATOM 533 CG ARG A 34 74.783 -6.134 -2.896 1.00 0.00 C ATOM 534 CD ARG A 34 76.250 -5.786 -3.160 1.00 0.00 C ATOM 535 NE ARG A 34 77.120 -6.872 -2.627 1.00 0.00 N ATOM 536 CZ ARG A 34 77.127 -8.044 -3.202 1.00 0.00 C ATOM 537 NH1 ARG A 34 77.365 -8.140 -4.482 1.00 0.00 N ATOM 538 NH2 ARG A 34 76.896 -9.118 -2.498 1.00 0.00 N ATOM 0 H ARG A 34 73.128 -3.448 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 34 72.411 -6.120 -2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.782 -4.599 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.778 -6.231 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.642 -7.214 -2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.150 -5.703 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.419 -5.662 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.501 -4.838 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 34 77.710 -6.700 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.545 -7.300 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 34 77.371 -9.055 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.710 -9.042 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.902 -10.034 -2.948 1.00 0.00 H new ATOM 552 N ILE A 35 71.989 -5.367 0.834 1.00 0.00 N ATOM 553 CA ILE A 35 71.553 -5.896 2.143 1.00 0.00 C ATOM 554 C ILE A 35 70.089 -6.341 2.039 1.00 0.00 C ATOM 555 O ILE A 35 69.739 -7.457 2.367 1.00 0.00 O ATOM 556 CB ILE A 35 71.720 -4.773 3.182 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.890 -5.109 4.104 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.451 -4.593 4.016 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.948 -4.012 3.985 1.00 0.00 C ATOM 0 H ILE A 35 71.935 -4.353 0.740 1.00 0.00 H new ATOM 0 HA ILE A 35 72.148 -6.758 2.444 1.00 0.00 H new ATOM 0 HB ILE A 35 71.913 -3.841 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.546 -5.190 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.317 -6.075 3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.602 -3.792 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.618 -4.337 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.227 -5.521 4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.788 -4.244 4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.297 -3.954 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.514 -3.055 4.276 1.00 0.00 H new ATOM 571 N ASN A 36 69.238 -5.460 1.600 1.00 0.00 N ATOM 572 CA ASN A 36 67.793 -5.798 1.482 1.00 0.00 C ATOM 573 C ASN A 36 67.597 -6.955 0.497 1.00 0.00 C ATOM 574 O ASN A 36 66.764 -7.816 0.701 1.00 0.00 O ATOM 575 CB ASN A 36 67.024 -4.572 0.985 1.00 0.00 C ATOM 576 CG ASN A 36 66.888 -3.560 2.123 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.003 -3.672 2.949 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.733 -2.569 2.204 1.00 0.00 N ATOM 0 H ASN A 36 69.483 -4.512 1.315 1.00 0.00 H new ATOM 0 HA ASN A 36 67.418 -6.099 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.546 -4.119 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.038 -4.868 0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.651 -1.889 2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 36 68.476 -2.474 1.511 1.00 0.00 H new ATOM 585 N ARG A 37 68.345 -6.986 -0.575 1.00 0.00 N ATOM 586 CA ARG A 37 68.177 -8.087 -1.560 1.00 0.00 C ATOM 587 C ARG A 37 68.955 -9.319 -1.115 1.00 0.00 C ATOM 588 O ARG A 37 69.090 -10.286 -1.838 1.00 0.00 O ATOM 589 CB ARG A 37 68.670 -7.634 -2.933 1.00 0.00 C ATOM 590 CG ARG A 37 67.475 -7.235 -3.800 1.00 0.00 C ATOM 591 CD ARG A 37 67.952 -6.941 -5.224 1.00 0.00 C ATOM 592 NE ARG A 37 66.912 -6.154 -5.942 1.00 0.00 N ATOM 593 CZ ARG A 37 65.659 -6.516 -5.874 1.00 0.00 C ATOM 594 NH1 ARG A 37 65.307 -7.720 -6.230 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.758 -5.672 -5.451 1.00 0.00 N ATOM 0 H ARG A 37 69.061 -6.298 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 37 67.119 -8.342 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.352 -6.791 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.229 -8.437 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.736 -8.037 -3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.985 -6.356 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 37 68.890 -6.386 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 37 68.148 -7.873 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 37 67.178 -5.333 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 37 66.010 -8.380 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.328 -8.002 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 37 65.032 -4.730 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.779 -5.955 -5.398 1.00 0.00 H new ATOM 609 N LEU A 38 69.451 -9.288 0.075 1.00 0.00 N ATOM 610 CA LEU A 38 70.211 -10.443 0.610 1.00 0.00 C ATOM 611 C LEU A 38 69.251 -11.375 1.349 1.00 0.00 C ATOM 612 O LEU A 38 69.434 -12.575 1.389 1.00 0.00 O ATOM 613 CB LEU A 38 71.288 -9.946 1.575 1.00 0.00 C ATOM 614 CG LEU A 38 72.489 -10.893 1.532 1.00 0.00 C ATOM 615 CD1 LEU A 38 72.014 -12.329 1.759 1.00 0.00 C ATOM 616 CD2 LEU A 38 73.166 -10.791 0.164 1.00 0.00 C ATOM 0 H LEU A 38 69.363 -8.499 0.716 1.00 0.00 H new ATOM 0 HA LEU A 38 70.686 -10.981 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.597 -8.937 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.888 -9.895 2.588 1.00 0.00 H new ATOM 0 HG LEU A 38 73.199 -10.618 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.869 -13.004 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.528 -12.402 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 38 71.305 -12.606 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 38 74.022 -11.465 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.456 -11.068 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 38 73.503 -9.767 0.000 1.00 0.00 H new ATOM 628 N SER A 39 68.229 -10.820 1.944 1.00 0.00 N ATOM 629 CA SER A 39 67.252 -11.654 2.694 1.00 0.00 C ATOM 630 C SER A 39 66.127 -12.105 1.758 1.00 0.00 C ATOM 631 O SER A 39 65.343 -12.971 2.091 1.00 0.00 O ATOM 632 CB SER A 39 66.663 -10.827 3.837 1.00 0.00 C ATOM 633 OG SER A 39 65.963 -11.685 4.728 1.00 0.00 O ATOM 0 H SER A 39 68.030 -9.820 1.941 1.00 0.00 H new ATOM 0 HA SER A 39 67.756 -12.533 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.457 -10.303 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.989 -10.067 3.441 1.00 0.00 H new ATOM 0 HG SER A 39 65.625 -12.462 4.236 1.00 0.00 H new ATOM 639 N GLU A 40 66.037 -11.523 0.594 1.00 0.00 N ATOM 640 CA GLU A 40 64.961 -11.917 -0.352 1.00 0.00 C ATOM 641 C GLU A 40 65.478 -12.988 -1.300 1.00 0.00 C ATOM 642 O GLU A 40 64.952 -13.202 -2.374 1.00 0.00 O ATOM 643 CB GLU A 40 64.519 -10.701 -1.153 1.00 0.00 C ATOM 644 CG GLU A 40 63.112 -10.282 -0.722 1.00 0.00 C ATOM 645 CD GLU A 40 62.978 -8.762 -0.816 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.947 -8.082 -0.520 1.00 0.00 O ATOM 647 OE2 GLU A 40 61.907 -8.303 -1.181 1.00 0.00 O ATOM 0 H GLU A 40 66.664 -10.791 0.259 1.00 0.00 H new ATOM 0 HA GLU A 40 64.114 -12.311 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.217 -9.878 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 40 64.530 -10.932 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 40 62.368 -10.763 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 40 62.920 -10.612 0.299 1.00 0.00 H new ATOM 654 N HIS A 41 66.507 -13.655 -0.900 1.00 0.00 N ATOM 655 CA HIS A 41 67.093 -14.723 -1.749 1.00 0.00 C ATOM 656 C HIS A 41 66.404 -16.054 -1.448 1.00 0.00 C ATOM 657 O HIS A 41 66.090 -16.821 -2.337 1.00 0.00 O ATOM 658 CB HIS A 41 68.590 -14.845 -1.456 1.00 0.00 C ATOM 659 CG HIS A 41 69.343 -15.035 -2.744 1.00 0.00 C ATOM 660 ND1 HIS A 41 70.723 -14.935 -2.815 1.00 0.00 N ATOM 661 CD2 HIS A 41 68.922 -15.320 -4.020 1.00 0.00 C ATOM 662 CE1 HIS A 41 71.081 -15.156 -4.093 1.00 0.00 C ATOM 663 NE2 HIS A 41 70.020 -15.396 -4.870 1.00 0.00 N ATOM 0 H HIS A 41 66.979 -13.508 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 41 66.948 -14.470 -2.799 1.00 0.00 H new ATOM 0 HB2 HIS A 41 68.945 -13.950 -0.944 1.00 0.00 H new ATOM 0 HB3 HIS A 41 68.773 -15.687 -0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 41 67.894 -15.463 -4.318 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.101 -15.141 -4.448 1.00 0.00 H new ATOM 0 HE2 HIS A 41 70.017 -15.593 -5.871 1.00 0.00 H new ATOM 671 N LEU A 42 66.170 -16.335 -0.197 1.00 0.00 N ATOM 672 CA LEU A 42 65.508 -17.612 0.179 1.00 0.00 C ATOM 673 C LEU A 42 64.043 -17.589 -0.268 1.00 0.00 C ATOM 674 O LEU A 42 63.332 -18.567 -0.141 1.00 0.00 O ATOM 675 CB LEU A 42 65.565 -17.771 1.696 1.00 0.00 C ATOM 676 CG LEU A 42 66.964 -18.225 2.115 1.00 0.00 C ATOM 677 CD1 LEU A 42 67.349 -17.545 3.429 1.00 0.00 C ATOM 678 CD2 LEU A 42 66.970 -19.744 2.307 1.00 0.00 C ATOM 0 H LEU A 42 66.412 -15.729 0.587 1.00 0.00 H new ATOM 0 HA LEU A 42 66.020 -18.443 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 42 65.319 -16.826 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 42 64.823 -18.499 2.023 1.00 0.00 H new ATOM 0 HG LEU A 42 67.681 -17.952 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 42 68.346 -17.869 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 42 67.344 -16.463 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 42 66.632 -17.818 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 42 67.967 -20.069 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 42 66.252 -20.016 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.695 -20.230 1.371 1.00 0.00 H new ATOM 690 N LYS A 43 63.582 -16.482 -0.789 1.00 0.00 N ATOM 691 CA LYS A 43 62.163 -16.400 -1.239 1.00 0.00 C ATOM 692 C LYS A 43 62.027 -16.950 -2.656 1.00 0.00 C ATOM 693 O LYS A 43 61.055 -16.716 -3.346 1.00 0.00 O ATOM 694 CB LYS A 43 61.703 -14.948 -1.212 1.00 0.00 C ATOM 695 CG LYS A 43 60.800 -14.717 0.002 1.00 0.00 C ATOM 696 CD LYS A 43 59.336 -14.880 -0.410 1.00 0.00 C ATOM 697 CE LYS A 43 58.515 -15.348 0.793 1.00 0.00 C ATOM 698 NZ LYS A 43 58.426 -16.835 0.787 1.00 0.00 N ATOM 0 H LYS A 43 64.128 -15.631 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 43 61.544 -16.994 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 43 62.566 -14.284 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 43 61.164 -14.710 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 43 61.047 -15.426 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 43 60.966 -13.718 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 43 58.945 -13.934 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 43 59.254 -15.602 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 43 58.978 -15.005 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 43 57.516 -14.913 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 57.868 -17.153 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 57.966 -17.152 -0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 59.382 -17.240 0.842 1.00 0.00 H new ATOM 712 N VAL A 44 62.999 -17.685 -3.076 1.00 0.00 N ATOM 713 CA VAL A 44 62.984 -18.286 -4.431 1.00 0.00 C ATOM 714 C VAL A 44 63.950 -19.473 -4.432 1.00 0.00 C ATOM 715 O VAL A 44 63.681 -20.512 -5.001 1.00 0.00 O ATOM 716 CB VAL A 44 63.437 -17.245 -5.453 1.00 0.00 C ATOM 717 CG1 VAL A 44 63.811 -17.935 -6.766 1.00 0.00 C ATOM 718 CG2 VAL A 44 62.299 -16.252 -5.704 1.00 0.00 C ATOM 0 H VAL A 44 63.829 -17.904 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 44 61.980 -18.619 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 44 64.308 -16.715 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 44 64.133 -17.188 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 44 64.622 -18.641 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.944 -18.469 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 44 62.620 -15.508 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 44 61.429 -16.785 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 44 62.037 -15.755 -4.770 1.00 0.00 H new ATOM 728 N HIS A 45 65.070 -19.320 -3.779 1.00 0.00 N ATOM 729 CA HIS A 45 66.063 -20.422 -3.710 1.00 0.00 C ATOM 730 C HIS A 45 65.357 -21.727 -3.335 1.00 0.00 C ATOM 731 O HIS A 45 65.307 -22.662 -4.109 1.00 0.00 O ATOM 732 CB HIS A 45 67.102 -20.074 -2.642 1.00 0.00 C ATOM 733 CG HIS A 45 68.243 -19.327 -3.276 1.00 0.00 C ATOM 734 ND1 HIS A 45 69.396 -19.006 -2.578 1.00 0.00 N ATOM 735 CD2 HIS A 45 68.423 -18.831 -4.544 1.00 0.00 C ATOM 736 CE1 HIS A 45 70.211 -18.346 -3.420 1.00 0.00 C ATOM 737 NE2 HIS A 45 69.666 -18.212 -4.633 1.00 0.00 N ATOM 0 H HIS A 45 65.339 -18.468 -3.286 1.00 0.00 H new ATOM 0 HA HIS A 45 66.550 -20.548 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 45 66.646 -19.467 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 45 67.469 -20.984 -2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 45 67.708 -18.910 -5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 45 71.187 -17.970 -3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 45 70.074 -17.754 -5.448 1.00 0.00 H new ATOM 745 N LYS A 46 64.811 -21.798 -2.153 1.00 0.00 N ATOM 746 CA LYS A 46 64.108 -23.043 -1.729 1.00 0.00 C ATOM 747 C LYS A 46 65.050 -24.238 -1.878 1.00 0.00 C ATOM 748 O LYS A 46 64.688 -25.262 -2.423 1.00 0.00 O ATOM 749 CB LYS A 46 62.871 -23.255 -2.605 1.00 0.00 C ATOM 750 CG LYS A 46 61.611 -22.992 -1.780 1.00 0.00 C ATOM 751 CD LYS A 46 60.538 -24.022 -2.144 1.00 0.00 C ATOM 752 CE LYS A 46 60.086 -24.756 -0.880 1.00 0.00 C ATOM 753 NZ LYS A 46 58.602 -24.897 -0.892 1.00 0.00 N ATOM 0 H LYS A 46 64.821 -21.048 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 46 63.803 -22.950 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 46 62.902 -22.586 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 46 62.858 -24.273 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 46 61.841 -23.051 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 46 61.242 -21.984 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 46 59.688 -23.527 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 46 60.933 -24.734 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.555 -25.739 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 46 60.403 -24.206 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 58.294 -25.396 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 58.164 -23.954 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 58.312 -25.439 -1.730 1.00 0.00 H new ATOM 767 N LYS A 47 66.258 -24.118 -1.395 1.00 0.00 N ATOM 768 CA LYS A 47 67.222 -25.244 -1.505 1.00 0.00 C ATOM 769 C LYS A 47 68.361 -25.040 -0.504 1.00 0.00 C ATOM 770 O LYS A 47 69.481 -25.452 -0.732 1.00 0.00 O ATOM 771 CB LYS A 47 67.792 -25.296 -2.925 1.00 0.00 C ATOM 772 CG LYS A 47 66.724 -25.821 -3.887 1.00 0.00 C ATOM 773 CD LYS A 47 67.400 -26.464 -5.099 1.00 0.00 C ATOM 774 CE LYS A 47 67.569 -25.419 -6.204 1.00 0.00 C ATOM 775 NZ LYS A 47 66.228 -25.024 -6.722 1.00 0.00 N ATOM 0 H LYS A 47 66.617 -23.285 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 47 66.710 -26.181 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.118 -24.303 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.670 -25.942 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.091 -26.550 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 47 66.077 -25.005 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 47 68.371 -26.868 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 47 66.801 -27.299 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 47 68.093 -24.545 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 47 68.178 -25.824 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 66.164 -25.258 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 65.489 -25.538 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 66.094 -24.001 -6.594 1.00 0.00 H new ATOM 789 N ASP A 48 68.083 -24.408 0.603 1.00 0.00 N ATOM 790 CA ASP A 48 69.147 -24.178 1.618 1.00 0.00 C ATOM 791 C ASP A 48 68.573 -23.372 2.785 1.00 0.00 C ATOM 792 O ASP A 48 69.107 -22.350 3.167 1.00 0.00 O ATOM 793 CB ASP A 48 70.304 -23.403 0.982 1.00 0.00 C ATOM 794 CG ASP A 48 71.604 -23.731 1.716 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.029 -24.873 1.648 1.00 0.00 O ATOM 796 OD2 ASP A 48 72.156 -22.834 2.332 1.00 0.00 O ATOM 0 H ASP A 48 67.163 -24.041 0.848 1.00 0.00 H new ATOM 0 HA ASP A 48 69.512 -25.138 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.394 -23.664 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.108 -22.332 1.030 1.00 0.00 H new ATOM 801 N HIS A 49 67.489 -23.824 3.353 1.00 0.00 N ATOM 802 CA HIS A 49 66.881 -23.082 4.493 1.00 0.00 C ATOM 803 C HIS A 49 67.949 -22.814 5.557 1.00 0.00 C ATOM 804 O HIS A 49 69.094 -23.192 5.410 1.00 0.00 O ATOM 805 CB HIS A 49 65.755 -23.919 5.103 1.00 0.00 C ATOM 806 CG HIS A 49 64.553 -23.877 4.199 1.00 0.00 C ATOM 807 ND1 HIS A 49 63.540 -24.819 4.272 1.00 0.00 N ATOM 808 CD2 HIS A 49 64.188 -23.010 3.199 1.00 0.00 C ATOM 809 CE1 HIS A 49 62.623 -24.501 3.340 1.00 0.00 C ATOM 810 NE2 HIS A 49 62.969 -23.406 2.658 1.00 0.00 N ATOM 0 H HIS A 49 66.998 -24.675 3.077 1.00 0.00 H new ATOM 0 HA HIS A 49 66.478 -22.134 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 49 66.085 -24.949 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 49 65.495 -23.535 6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 49 64.760 -22.151 2.881 1.00 0.00 H new ATOM 0 HE1 HIS A 49 61.717 -25.063 3.165 1.00 0.00 H new ATOM 0 HE2 HIS A 49 62.451 -22.957 1.903 1.00 0.00 H new ATOM 818 N HIS A 50 67.582 -22.163 6.627 1.00 0.00 N ATOM 819 CA HIS A 50 68.576 -21.871 7.700 1.00 0.00 C ATOM 820 C HIS A 50 69.774 -21.156 7.098 1.00 0.00 C ATOM 821 O HIS A 50 70.860 -21.151 7.643 1.00 0.00 O ATOM 822 CB HIS A 50 69.035 -23.176 8.333 1.00 0.00 C ATOM 823 CG HIS A 50 68.630 -23.206 9.781 1.00 0.00 C ATOM 824 ND1 HIS A 50 69.178 -22.347 10.720 1.00 0.00 N ATOM 825 CD2 HIS A 50 67.732 -23.986 10.467 1.00 0.00 C ATOM 826 CE1 HIS A 50 68.611 -22.627 11.908 1.00 0.00 C ATOM 827 NE2 HIS A 50 67.722 -23.619 11.809 1.00 0.00 N ATOM 0 H HIS A 50 66.638 -21.821 6.805 1.00 0.00 H new ATOM 0 HA HIS A 50 68.116 -21.238 8.459 1.00 0.00 H new ATOM 0 HB2 HIS A 50 68.596 -24.022 7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 50 70.117 -23.273 8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 50 67.125 -24.766 10.031 1.00 0.00 H new ATOM 0 HE1 HIS A 50 68.846 -22.113 12.828 1.00 0.00 H new ATOM 0 HE2 HIS A 50 67.157 -24.021 12.557 1.00 0.00 H new ATOM 835 N SER A 51 69.573 -20.555 5.975 1.00 0.00 N ATOM 836 CA SER A 51 70.678 -19.825 5.298 1.00 0.00 C ATOM 837 C SER A 51 71.140 -18.663 6.181 1.00 0.00 C ATOM 838 O SER A 51 70.373 -17.782 6.513 1.00 0.00 O ATOM 839 CB SER A 51 70.182 -19.280 3.958 1.00 0.00 C ATOM 840 OG SER A 51 71.039 -19.739 2.920 1.00 0.00 O ATOM 0 H SER A 51 68.680 -20.533 5.483 1.00 0.00 H new ATOM 0 HA SER A 51 71.512 -20.506 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 51 69.159 -19.610 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 51 70.167 -18.190 3.978 1.00 0.00 H new ATOM 0 HG SER A 51 70.724 -19.393 2.059 1.00 0.00 H new ATOM 846 N HIS A 52 72.388 -18.654 6.563 1.00 0.00 N ATOM 847 CA HIS A 52 72.894 -17.548 7.422 1.00 0.00 C ATOM 848 C HIS A 52 74.393 -17.731 7.667 1.00 0.00 C ATOM 849 O HIS A 52 74.914 -17.348 8.696 1.00 0.00 O ATOM 850 CB HIS A 52 72.154 -17.563 8.759 1.00 0.00 C ATOM 851 CG HIS A 52 72.453 -18.848 9.483 1.00 0.00 C ATOM 852 ND1 HIS A 52 72.836 -20.087 9.034 1.00 0.00 N flip ATOM 853 CD2 HIS A 52 72.369 -18.956 10.863 1.00 0.00 C flip ATOM 854 CE1 HIS A 52 72.989 -20.952 10.113 1.00 0.00 C flip ATOM 855 NE2 HIS A 52 72.695 -20.219 11.191 1.00 0.00 N flip ATOM 0 H HIS A 52 73.078 -19.364 6.317 1.00 0.00 H new ATOM 0 HA HIS A 52 72.724 -16.595 6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 52 72.460 -16.711 9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 52 71.081 -17.467 8.594 1.00 0.00 H new ATOM 0 HD2 HIS A 52 72.092 -18.169 11.549 1.00 0.00 H new ATOM 0 HE1 HIS A 52 73.282 -21.991 10.085 1.00 0.00 H new ATOM 0 HE2 HIS A 52 72.715 -20.574 12.147 1.00 0.00 H new ATOM 863 N ARG A 53 75.089 -18.311 6.731 1.00 0.00 N ATOM 864 CA ARG A 53 76.552 -18.519 6.909 1.00 0.00 C ATOM 865 C ARG A 53 77.250 -17.161 7.023 1.00 0.00 C ATOM 866 O ARG A 53 78.323 -17.049 7.582 1.00 0.00 O ATOM 867 CB ARG A 53 77.110 -19.280 5.706 1.00 0.00 C ATOM 868 CG ARG A 53 77.211 -20.768 6.043 1.00 0.00 C ATOM 869 CD ARG A 53 77.597 -21.553 4.789 1.00 0.00 C ATOM 870 NE ARG A 53 78.211 -22.852 5.184 1.00 0.00 N ATOM 871 CZ ARG A 53 79.507 -22.957 5.287 1.00 0.00 C ATOM 872 NH1 ARG A 53 80.224 -23.236 4.233 1.00 0.00 N ATOM 873 NH2 ARG A 53 80.087 -22.784 6.444 1.00 0.00 N ATOM 0 H ARG A 53 74.707 -18.651 5.848 1.00 0.00 H new ATOM 0 HA ARG A 53 76.729 -19.096 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 53 76.464 -19.136 4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 53 78.092 -18.890 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 53 77.954 -20.924 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 53 76.259 -21.129 6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 53 76.716 -21.728 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 53 78.299 -20.975 4.187 1.00 0.00 H new ATOM 0 HE ARG A 53 77.617 -23.660 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 53 79.771 -23.372 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 53 81.238 -23.318 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 53 79.527 -22.567 7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 53 81.101 -22.866 6.524 1.00 0.00 H new ATOM 887 N GLY A 54 76.648 -16.130 6.497 1.00 0.00 N ATOM 888 CA GLY A 54 77.276 -14.780 6.574 1.00 0.00 C ATOM 889 C GLY A 54 76.360 -13.753 5.909 1.00 0.00 C ATOM 890 O GLY A 54 76.702 -13.160 4.905 1.00 0.00 O ATOM 0 H GLY A 54 75.749 -16.164 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.451 -14.507 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 54 78.248 -14.790 6.080 1.00 0.00 H new ATOM 894 N LEU A 55 75.196 -13.533 6.459 1.00 0.00 N ATOM 895 CA LEU A 55 74.267 -12.545 5.854 1.00 0.00 C ATOM 896 C LEU A 55 74.524 -11.167 6.456 1.00 0.00 C ATOM 897 O LEU A 55 73.652 -10.322 6.510 1.00 0.00 O ATOM 898 CB LEU A 55 72.819 -12.965 6.118 1.00 0.00 C ATOM 899 CG LEU A 55 72.085 -13.124 4.785 1.00 0.00 C ATOM 900 CD1 LEU A 55 72.390 -14.501 4.194 1.00 0.00 C ATOM 901 CD2 LEU A 55 70.578 -12.994 5.018 1.00 0.00 C ATOM 0 H LEU A 55 74.852 -13.996 7.300 1.00 0.00 H new ATOM 0 HA LEU A 55 74.435 -12.505 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 55 72.796 -13.903 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 55 72.319 -12.218 6.734 1.00 0.00 H new ATOM 0 HG LEU A 55 72.417 -12.350 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 55 71.867 -14.613 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 55 73.463 -14.597 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 55 72.058 -15.275 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.052 -13.107 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 55 70.249 -13.769 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 55 70.358 -12.013 5.440 1.00 0.00 H new ATOM 913 N LEU A 56 75.722 -10.938 6.904 1.00 0.00 N ATOM 914 CA LEU A 56 76.071 -9.635 7.500 1.00 0.00 C ATOM 915 C LEU A 56 77.162 -8.974 6.651 1.00 0.00 C ATOM 916 O LEU A 56 76.895 -8.441 5.593 1.00 0.00 O ATOM 917 CB LEU A 56 76.578 -9.869 8.919 1.00 0.00 C ATOM 918 CG LEU A 56 75.448 -10.426 9.785 1.00 0.00 C ATOM 919 CD1 LEU A 56 76.013 -10.868 11.137 1.00 0.00 C ATOM 920 CD2 LEU A 56 74.389 -9.344 10.009 1.00 0.00 C ATOM 0 H LEU A 56 76.485 -11.615 6.879 1.00 0.00 H new ATOM 0 HA LEU A 56 75.199 -8.981 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 56 77.416 -10.566 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 56 76.947 -8.935 9.342 1.00 0.00 H new ATOM 0 HG LEU A 56 74.994 -11.279 9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.208 -11.265 11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 56 76.766 -11.640 10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 56 76.468 -10.013 11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 56 73.585 -9.744 10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 56 74.842 -8.490 10.512 1.00 0.00 H new ATOM 0 HD23 LEU A 56 73.985 -9.026 9.048 1.00 0.00 H new ATOM 932 N MET A 57 78.390 -9.018 7.094 1.00 0.00 N ATOM 933 CA MET A 57 79.493 -8.410 6.305 1.00 0.00 C ATOM 934 C MET A 57 79.112 -6.990 5.868 1.00 0.00 C ATOM 935 O MET A 57 79.377 -6.028 6.561 1.00 0.00 O ATOM 936 CB MET A 57 79.765 -9.280 5.077 1.00 0.00 C ATOM 937 CG MET A 57 80.858 -8.631 4.232 1.00 0.00 C ATOM 938 SD MET A 57 80.774 -9.267 2.540 1.00 0.00 S ATOM 939 CE MET A 57 82.555 -9.445 2.278 1.00 0.00 C ATOM 0 H MET A 57 78.675 -9.451 7.972 1.00 0.00 H new ATOM 0 HA MET A 57 80.391 -8.352 6.920 1.00 0.00 H new ATOM 0 HB2 MET A 57 80.073 -10.279 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 57 78.854 -9.394 4.489 1.00 0.00 H new ATOM 0 HG2 MET A 57 80.736 -7.548 4.231 1.00 0.00 H new ATOM 0 HG3 MET A 57 81.837 -8.841 4.662 1.00 0.00 H new ATOM 0 HE1 MET A 57 82.738 -9.832 1.276 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.037 -8.474 2.386 1.00 0.00 H new ATOM 0 HE3 MET A 57 82.964 -10.137 3.015 1.00 0.00 H new ATOM 949 N MET A 58 78.504 -6.848 4.721 1.00 0.00 N ATOM 950 CA MET A 58 78.120 -5.491 4.239 1.00 0.00 C ATOM 951 C MET A 58 77.332 -4.751 5.323 1.00 0.00 C ATOM 952 O MET A 58 77.268 -3.538 5.336 1.00 0.00 O ATOM 953 CB MET A 58 77.256 -5.621 2.984 1.00 0.00 C ATOM 954 CG MET A 58 76.191 -6.695 3.206 1.00 0.00 C ATOM 955 SD MET A 58 76.668 -8.206 2.333 1.00 0.00 S ATOM 956 CE MET A 58 75.000 -8.739 1.876 1.00 0.00 C ATOM 0 H MET A 58 78.256 -7.615 4.096 1.00 0.00 H new ATOM 0 HA MET A 58 79.024 -4.928 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.782 -4.666 2.755 1.00 0.00 H new ATOM 0 HB3 MET A 58 77.877 -5.882 2.127 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.080 -6.897 4.271 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.224 -6.344 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.005 -9.808 1.663 1.00 0.00 H new ATOM 0 HE2 MET A 58 74.315 -8.537 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.674 -8.194 0.990 1.00 0.00 H new ATOM 966 N VAL A 59 76.727 -5.466 6.231 1.00 0.00 N ATOM 967 CA VAL A 59 75.946 -4.793 7.304 1.00 0.00 C ATOM 968 C VAL A 59 76.882 -3.934 8.155 1.00 0.00 C ATOM 969 O VAL A 59 76.570 -2.809 8.493 1.00 0.00 O ATOM 970 CB VAL A 59 75.274 -5.847 8.186 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.677 -5.172 9.422 1.00 0.00 C ATOM 972 CG2 VAL A 59 74.160 -6.536 7.395 1.00 0.00 C ATOM 0 H VAL A 59 76.740 -6.485 6.276 1.00 0.00 H new ATOM 0 HA VAL A 59 75.183 -4.159 6.853 1.00 0.00 H new ATOM 0 HB VAL A 59 76.012 -6.586 8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.198 -5.923 10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.469 -4.678 9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.938 -4.433 9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 59 73.680 -7.287 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.422 -5.796 7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.584 -7.016 6.513 1.00 0.00 H new ATOM 982 N GLY A 60 78.027 -4.452 8.502 1.00 0.00 N ATOM 983 CA GLY A 60 78.982 -3.661 9.330 1.00 0.00 C ATOM 984 C GLY A 60 79.788 -2.726 8.427 1.00 0.00 C ATOM 985 O GLY A 60 80.743 -2.106 8.854 1.00 0.00 O ATOM 0 H GLY A 60 78.343 -5.388 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 60 78.439 -3.083 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 60 79.652 -4.330 9.870 1.00 0.00 H new ATOM 989 N GLN A 61 79.417 -2.621 7.181 1.00 0.00 N ATOM 990 CA GLN A 61 80.162 -1.732 6.253 1.00 0.00 C ATOM 991 C GLN A 61 79.541 -0.342 6.261 1.00 0.00 C ATOM 992 O GLN A 61 79.738 0.453 5.363 1.00 0.00 O ATOM 993 CB GLN A 61 80.104 -2.306 4.843 1.00 0.00 C ATOM 994 CG GLN A 61 81.512 -2.687 4.382 1.00 0.00 C ATOM 995 CD GLN A 61 81.997 -1.681 3.337 1.00 0.00 C ATOM 996 OE1 GLN A 61 81.210 -0.950 2.770 1.00 0.00 O ATOM 997 NE2 GLN A 61 83.269 -1.612 3.057 1.00 0.00 N ATOM 0 H GLN A 61 78.627 -3.115 6.766 1.00 0.00 H new ATOM 0 HA GLN A 61 81.201 -1.664 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 61 79.455 -3.182 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 61 79.673 -1.574 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 61 82.193 -2.701 5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.508 -3.692 3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 61 83.930 -2.226 3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 61 83.603 -0.944 2.362 1.00 0.00 H new ATOM 1006 N ARG A 62 78.798 -0.053 7.274 1.00 0.00 N ATOM 1007 CA ARG A 62 78.148 1.284 7.380 1.00 0.00 C ATOM 1008 C ARG A 62 78.879 2.122 8.428 1.00 0.00 C ATOM 1009 O ARG A 62 78.747 3.329 8.477 1.00 0.00 O ATOM 1010 CB ARG A 62 76.682 1.112 7.783 1.00 0.00 C ATOM 1011 CG ARG A 62 75.802 2.002 6.902 1.00 0.00 C ATOM 1012 CD ARG A 62 74.612 1.193 6.379 1.00 0.00 C ATOM 1013 NE ARG A 62 74.114 0.293 7.456 1.00 0.00 N ATOM 1014 CZ ARG A 62 73.273 0.744 8.345 1.00 0.00 C ATOM 1015 NH1 ARG A 62 73.683 1.565 9.273 1.00 0.00 N ATOM 1016 NH2 ARG A 62 72.021 0.378 8.305 1.00 0.00 N ATOM 0 H ARG A 62 78.605 -0.688 8.049 1.00 0.00 H new ATOM 0 HA ARG A 62 78.196 1.790 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 62 76.385 0.069 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 62 76.549 1.376 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 62 75.448 2.860 7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 62 76.384 2.393 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 62 73.817 1.864 6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 62 74.910 0.607 5.509 1.00 0.00 H new ATOM 0 HE ARG A 62 74.431 -0.676 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 62 74.661 1.854 9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 62 73.026 1.918 9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.700 -0.261 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 62 71.364 0.731 9.001 1.00 0.00 H new ATOM 1030 N ARG A 63 79.656 1.492 9.264 1.00 0.00 N ATOM 1031 CA ARG A 63 80.403 2.251 10.302 1.00 0.00 C ATOM 1032 C ARG A 63 81.504 3.067 9.625 1.00 0.00 C ATOM 1033 O ARG A 63 81.910 4.106 10.108 1.00 0.00 O ATOM 1034 CB ARG A 63 81.030 1.275 11.300 1.00 0.00 C ATOM 1035 CG ARG A 63 79.975 0.832 12.314 1.00 0.00 C ATOM 1036 CD ARG A 63 80.055 -0.685 12.503 1.00 0.00 C ATOM 1037 NE ARG A 63 78.835 -1.163 13.212 1.00 0.00 N ATOM 1038 CZ ARG A 63 77.659 -1.002 12.669 1.00 0.00 C ATOM 1039 NH1 ARG A 63 77.005 0.114 12.847 1.00 0.00 N ATOM 1040 NH2 ARG A 63 77.138 -1.956 11.948 1.00 0.00 N ATOM 0 H ARG A 63 79.805 0.483 9.272 1.00 0.00 H new ATOM 0 HA ARG A 63 79.722 2.917 10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.430 0.408 10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 63 81.866 1.751 11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 63 80.136 1.337 13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 63 78.981 1.114 11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 63 80.143 -1.179 11.535 1.00 0.00 H new ATOM 0 HD3 ARG A 63 80.946 -0.944 13.075 1.00 0.00 H new ATOM 0 HE ARG A 63 78.919 -1.616 14.122 1.00 0.00 H new ATOM 0 HH11 ARG A 63 77.413 0.860 13.410 1.00 0.00 H new ATOM 0 HH12 ARG A 63 76.086 0.240 12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 63 77.650 -2.827 11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 63 76.219 -1.831 11.524 1.00 0.00 H new ATOM 1054 N ARG A 64 81.990 2.602 8.507 1.00 0.00 N ATOM 1055 CA ARG A 64 83.063 3.342 7.791 1.00 0.00 C ATOM 1056 C ARG A 64 82.513 4.672 7.274 1.00 0.00 C ATOM 1057 O ARG A 64 83.180 5.687 7.314 1.00 0.00 O ATOM 1058 CB ARG A 64 83.561 2.503 6.613 1.00 0.00 C ATOM 1059 CG ARG A 64 83.889 1.089 7.096 1.00 0.00 C ATOM 1060 CD ARG A 64 85.407 0.910 7.166 1.00 0.00 C ATOM 1061 NE ARG A 64 85.785 -0.377 6.516 1.00 0.00 N ATOM 1062 CZ ARG A 64 85.922 -1.455 7.238 1.00 0.00 C ATOM 1063 NH1 ARG A 64 85.133 -1.664 8.256 1.00 0.00 N ATOM 1064 NH2 ARG A 64 86.849 -2.324 6.941 1.00 0.00 N ATOM 0 H ARG A 64 81.688 1.737 8.058 1.00 0.00 H new ATOM 0 HA ARG A 64 83.889 3.535 8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 64 82.801 2.465 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 64 84.446 2.963 6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 64 83.447 0.917 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 64 83.457 0.353 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 64 85.906 1.742 6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 64 85.737 0.916 8.205 1.00 0.00 H new ATOM 0 HE ARG A 64 85.936 -0.415 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 64 84.409 -0.984 8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 64 85.241 -2.507 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 64 87.466 -2.160 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 64 86.957 -3.167 7.505 1.00 0.00 H new ATOM 1078 N LEU A 65 81.300 4.674 6.788 1.00 0.00 N ATOM 1079 CA LEU A 65 80.706 5.939 6.268 1.00 0.00 C ATOM 1080 C LEU A 65 81.036 7.085 7.220 1.00 0.00 C ATOM 1081 O LEU A 65 81.912 7.886 6.966 1.00 0.00 O ATOM 1082 CB LEU A 65 79.187 5.786 6.163 1.00 0.00 C ATOM 1083 CG LEU A 65 78.560 7.141 5.830 1.00 0.00 C ATOM 1084 CD1 LEU A 65 77.682 7.007 4.586 1.00 0.00 C ATOM 1085 CD2 LEU A 65 77.705 7.609 7.009 1.00 0.00 C ATOM 0 H LEU A 65 80.696 3.854 6.729 1.00 0.00 H new ATOM 0 HA LEU A 65 81.118 6.154 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.937 5.058 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.783 5.407 7.102 1.00 0.00 H new ATOM 0 HG LEU A 65 79.349 7.869 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 65 77.236 7.973 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 65 78.290 6.673 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 65 76.893 6.279 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 65 77.257 8.575 6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 65 76.917 6.880 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 65 78.331 7.706 7.896 1.00 0.00 H new ATOM 1097 N LEU A 66 80.337 7.166 8.312 1.00 0.00 N ATOM 1098 CA LEU A 66 80.601 8.256 9.292 1.00 0.00 C ATOM 1099 C LEU A 66 82.072 8.219 9.719 1.00 0.00 C ATOM 1100 O LEU A 66 82.606 9.187 10.223 1.00 0.00 O ATOM 1101 CB LEU A 66 79.709 8.058 10.519 1.00 0.00 C ATOM 1102 CG LEU A 66 80.171 8.985 11.644 1.00 0.00 C ATOM 1103 CD1 LEU A 66 79.002 9.261 12.591 1.00 0.00 C ATOM 1104 CD2 LEU A 66 81.307 8.316 12.421 1.00 0.00 C ATOM 0 H LEU A 66 79.590 6.522 8.572 1.00 0.00 H new ATOM 0 HA LEU A 66 80.384 9.220 8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 66 78.670 8.269 10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 66 79.752 7.020 10.849 1.00 0.00 H new ATOM 0 HG LEU A 66 80.524 9.924 11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 66 79.332 9.922 13.393 1.00 0.00 H new ATOM 0 HD12 LEU A 66 78.191 9.736 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 66 78.649 8.322 13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 66 81.637 8.976 13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 66 80.953 7.377 12.846 1.00 0.00 H new ATOM 0 HD23 LEU A 66 82.141 8.118 11.748 1.00 0.00 H new ATOM 1116 N ARG A 67 82.729 7.108 9.524 1.00 0.00 N ATOM 1117 CA ARG A 67 84.159 7.005 9.922 1.00 0.00 C ATOM 1118 C ARG A 67 85.051 7.462 8.765 1.00 0.00 C ATOM 1119 O ARG A 67 86.203 7.086 8.672 1.00 0.00 O ATOM 1120 CB ARG A 67 84.487 5.553 10.274 1.00 0.00 C ATOM 1121 CG ARG A 67 85.771 5.506 11.101 1.00 0.00 C ATOM 1122 CD ARG A 67 85.828 4.191 11.880 1.00 0.00 C ATOM 1123 NE ARG A 67 85.603 4.459 13.328 1.00 0.00 N ATOM 1124 CZ ARG A 67 86.328 5.349 13.947 1.00 0.00 C ATOM 1125 NH1 ARG A 67 87.630 5.298 13.869 1.00 0.00 N ATOM 1126 NH2 ARG A 67 85.753 6.291 14.644 1.00 0.00 N ATOM 0 H ARG A 67 82.335 6.266 9.105 1.00 0.00 H new ATOM 0 HA ARG A 67 84.338 7.641 10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.664 5.109 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.606 4.965 9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 67 86.640 5.592 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 67 85.804 6.351 11.789 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.072 3.501 11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 67 86.796 3.712 11.734 1.00 0.00 H new ATOM 0 HE ARG A 67 84.882 3.946 13.835 1.00 0.00 H new ATOM 0 HH11 ARG A 67 88.080 4.562 13.324 1.00 0.00 H new ATOM 0 HH12 ARG A 67 88.198 5.994 14.353 1.00 0.00 H new ATOM 0 HH21 ARG A 67 84.736 6.332 14.705 1.00 0.00 H new ATOM 0 HH22 ARG A 67 86.321 6.987 15.128 1.00 0.00 H new ATOM 1140 N TYR A 68 84.529 8.271 7.887 1.00 0.00 N ATOM 1141 CA TYR A 68 85.344 8.753 6.742 1.00 0.00 C ATOM 1142 C TYR A 68 84.834 10.126 6.301 1.00 0.00 C ATOM 1143 O TYR A 68 85.457 11.139 6.551 1.00 0.00 O ATOM 1144 CB TYR A 68 85.235 7.763 5.579 1.00 0.00 C ATOM 1145 CG TYR A 68 86.527 7.758 4.798 1.00 0.00 C ATOM 1146 CD1 TYR A 68 87.268 8.938 4.662 1.00 0.00 C ATOM 1147 CD2 TYR A 68 86.983 6.573 4.209 1.00 0.00 C ATOM 1148 CE1 TYR A 68 88.465 8.933 3.936 1.00 0.00 C ATOM 1149 CE2 TYR A 68 88.181 6.568 3.484 1.00 0.00 C ATOM 1150 CZ TYR A 68 88.921 7.748 3.347 1.00 0.00 C ATOM 1151 OH TYR A 68 90.101 7.744 2.631 1.00 0.00 O ATOM 0 H TYR A 68 83.571 8.619 7.914 1.00 0.00 H new ATOM 0 HA TYR A 68 86.388 8.833 7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 68 85.023 6.763 5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 68 84.406 8.040 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.916 9.852 5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 68 86.411 5.663 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 68 89.036 9.843 3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.534 5.654 3.031 1.00 0.00 H new ATOM 0 HH TYR A 68 90.274 6.842 2.290 1.00 0.00 H new ATOM 1161 N LEU A 69 83.701 10.173 5.654 1.00 0.00 N ATOM 1162 CA LEU A 69 83.156 11.483 5.208 1.00 0.00 C ATOM 1163 C LEU A 69 82.898 12.359 6.432 1.00 0.00 C ATOM 1164 O LEU A 69 83.441 13.439 6.562 1.00 0.00 O ATOM 1165 CB LEU A 69 81.846 11.258 4.448 1.00 0.00 C ATOM 1166 CG LEU A 69 81.357 12.581 3.852 1.00 0.00 C ATOM 1167 CD1 LEU A 69 80.780 13.459 4.962 1.00 0.00 C ATOM 1168 CD2 LEU A 69 82.527 13.307 3.181 1.00 0.00 C ATOM 0 H LEU A 69 83.131 9.361 5.416 1.00 0.00 H new ATOM 0 HA LEU A 69 83.871 11.977 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.996 10.525 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.091 10.850 5.120 1.00 0.00 H new ATOM 0 HG LEU A 69 80.584 12.379 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 69 80.432 14.401 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 79.944 12.944 5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.551 13.659 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.176 14.248 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 83.302 13.508 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 82.936 12.682 2.387 1.00 0.00 H new ATOM 1180 N GLN A 70 82.078 11.901 7.337 1.00 0.00 N ATOM 1181 CA GLN A 70 81.793 12.704 8.553 1.00 0.00 C ATOM 1182 C GLN A 70 83.116 13.100 9.212 1.00 0.00 C ATOM 1183 O GLN A 70 83.200 14.073 9.934 1.00 0.00 O ATOM 1184 CB GLN A 70 80.973 11.862 9.532 1.00 0.00 C ATOM 1185 CG GLN A 70 80.770 12.643 10.828 1.00 0.00 C ATOM 1186 CD GLN A 70 81.978 12.437 11.743 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.751 11.521 11.549 1.00 0.00 O ATOM 1188 NE2 GLN A 70 82.175 13.258 12.739 1.00 0.00 N ATOM 0 H GLN A 70 81.594 11.005 7.285 1.00 0.00 H new ATOM 0 HA GLN A 70 81.233 13.599 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.008 11.610 9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.485 10.922 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 70 80.642 13.703 10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.861 12.309 11.328 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.526 14.027 12.902 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.978 13.130 13.354 1.00 0.00 H new ATOM 1197 N ARG A 71 84.147 12.341 8.968 1.00 0.00 N ATOM 1198 CA ARG A 71 85.471 12.646 9.574 1.00 0.00 C ATOM 1199 C ARG A 71 86.115 13.828 8.846 1.00 0.00 C ATOM 1200 O ARG A 71 86.723 14.685 9.455 1.00 0.00 O ATOM 1201 CB ARG A 71 86.379 11.420 9.457 1.00 0.00 C ATOM 1202 CG ARG A 71 85.741 10.241 10.193 1.00 0.00 C ATOM 1203 CD ARG A 71 85.754 10.513 11.698 1.00 0.00 C ATOM 1204 NE ARG A 71 87.161 10.652 12.166 1.00 0.00 N ATOM 1205 CZ ARG A 71 87.409 11.089 13.370 1.00 0.00 C ATOM 1206 NH1 ARG A 71 87.299 10.285 14.392 1.00 0.00 N ATOM 1207 NH2 ARG A 71 87.766 12.331 13.553 1.00 0.00 N ATOM 0 H ARG A 71 84.128 11.515 8.369 1.00 0.00 H new ATOM 0 HA ARG A 71 85.335 12.902 10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.533 11.167 8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.360 11.639 9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.718 10.094 9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.287 9.323 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 71 85.195 11.422 11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.262 9.699 12.230 1.00 0.00 H new ATOM 0 HE ARG A 71 87.931 10.405 11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 71 87.019 9.315 14.250 1.00 0.00 H new ATOM 0 HH12 ARG A 71 87.493 10.627 15.333 1.00 0.00 H new ATOM 0 HH21 ARG A 71 87.851 12.960 12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 71 87.960 12.673 14.494 1.00 0.00 H new ATOM 1221 N GLU A 72 85.992 13.880 7.546 1.00 0.00 N ATOM 1222 CA GLU A 72 86.600 15.005 6.788 1.00 0.00 C ATOM 1223 C GLU A 72 85.612 16.158 6.690 1.00 0.00 C ATOM 1224 O GLU A 72 85.735 17.043 5.866 1.00 0.00 O ATOM 1225 CB GLU A 72 86.963 14.533 5.388 1.00 0.00 C ATOM 1226 CG GLU A 72 88.164 13.592 5.465 1.00 0.00 C ATOM 1227 CD GLU A 72 88.758 13.402 4.068 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.358 14.128 3.173 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.601 12.534 3.917 1.00 0.00 O ATOM 0 H GLU A 72 85.497 13.191 6.980 1.00 0.00 H new ATOM 0 HA GLU A 72 87.497 15.343 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.115 14.021 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.197 15.388 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.917 14.001 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.859 12.629 5.875 1.00 0.00 H new ATOM 1236 N ASP A 73 84.639 16.140 7.531 1.00 0.00 N ATOM 1237 CA ASP A 73 83.610 17.216 7.530 1.00 0.00 C ATOM 1238 C ASP A 73 82.421 16.774 8.389 1.00 0.00 C ATOM 1239 O ASP A 73 81.730 15.837 8.041 1.00 0.00 O ATOM 1240 CB ASP A 73 83.135 17.463 6.096 1.00 0.00 C ATOM 1241 CG ASP A 73 83.574 18.856 5.644 1.00 0.00 C ATOM 1242 OD1 ASP A 73 83.235 19.811 6.323 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.243 18.944 4.627 1.00 0.00 O ATOM 0 H ASP A 73 84.501 15.416 8.237 1.00 0.00 H new ATOM 0 HA ASP A 73 84.037 18.133 7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.549 16.706 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.050 17.377 6.042 1.00 0.00 H new ATOM 1248 N PRO A 74 82.209 17.461 9.486 1.00 0.00 N ATOM 1249 CA PRO A 74 81.099 17.149 10.401 1.00 0.00 C ATOM 1250 C PRO A 74 79.788 17.639 9.796 1.00 0.00 C ATOM 1251 O PRO A 74 78.731 17.097 10.049 1.00 0.00 O ATOM 1252 CB PRO A 74 81.453 17.916 11.678 1.00 0.00 C ATOM 1253 CG PRO A 74 82.420 19.045 11.250 1.00 0.00 C ATOM 1254 CD PRO A 74 83.039 18.606 9.909 1.00 0.00 C ATOM 0 HA PRO A 74 80.970 16.083 10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 74 80.558 18.327 12.146 1.00 0.00 H new ATOM 0 HB3 PRO A 74 81.922 17.258 12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 74 81.888 19.990 11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 74 83.194 19.199 12.002 1.00 0.00 H new ATOM 0 HD2 PRO A 74 83.011 19.411 9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.084 18.319 10.027 1.00 0.00 H new ATOM 1262 N GLU A 75 79.860 18.647 8.979 1.00 0.00 N ATOM 1263 CA GLU A 75 78.631 19.160 8.328 1.00 0.00 C ATOM 1264 C GLU A 75 78.251 18.192 7.213 1.00 0.00 C ATOM 1265 O GLU A 75 77.101 17.846 7.036 1.00 0.00 O ATOM 1266 CB GLU A 75 78.895 20.549 7.744 1.00 0.00 C ATOM 1267 CG GLU A 75 79.398 21.479 8.849 1.00 0.00 C ATOM 1268 CD GLU A 75 78.385 21.507 9.994 1.00 0.00 C ATOM 1269 OE1 GLU A 75 77.222 21.247 9.736 1.00 0.00 O ATOM 1270 OE2 GLU A 75 78.791 21.786 11.110 1.00 0.00 O ATOM 0 H GLU A 75 80.720 19.138 8.734 1.00 0.00 H new ATOM 0 HA GLU A 75 77.821 19.239 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 75 79.633 20.485 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 75 77.982 20.950 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 75 80.366 21.136 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.544 22.484 8.454 1.00 0.00 H new ATOM 1277 N ARG A 76 79.219 17.733 6.472 1.00 0.00 N ATOM 1278 CA ARG A 76 78.923 16.769 5.385 1.00 0.00 C ATOM 1279 C ARG A 76 78.283 15.526 6.000 1.00 0.00 C ATOM 1280 O ARG A 76 77.683 14.720 5.317 1.00 0.00 O ATOM 1281 CB ARG A 76 80.222 16.385 4.673 1.00 0.00 C ATOM 1282 CG ARG A 76 80.796 17.609 3.958 1.00 0.00 C ATOM 1283 CD ARG A 76 82.127 17.239 3.303 1.00 0.00 C ATOM 1284 NE ARG A 76 81.895 16.880 1.876 1.00 0.00 N ATOM 1285 CZ ARG A 76 82.685 17.347 0.947 1.00 0.00 C ATOM 1286 NH1 ARG A 76 83.919 16.930 0.871 1.00 0.00 N ATOM 1287 NH2 ARG A 76 82.241 18.232 0.098 1.00 0.00 N ATOM 0 H ARG A 76 80.202 17.986 6.574 1.00 0.00 H new ATOM 0 HA ARG A 76 78.243 17.217 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 76 80.944 16.001 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.033 15.587 3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 76 80.094 17.965 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 76 80.942 18.423 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 76 82.823 18.075 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.584 16.401 3.830 1.00 0.00 H new ATOM 0 HE ARG A 76 81.118 16.269 1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.266 16.240 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 76 84.537 17.294 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 76 81.277 18.559 0.160 1.00 0.00 H new ATOM 0 HH22 ARG A 76 82.858 18.597 -0.628 1.00 0.00 H new ATOM 1301 N TYR A 77 78.402 15.366 7.294 1.00 0.00 N ATOM 1302 CA TYR A 77 77.800 14.180 7.956 1.00 0.00 C ATOM 1303 C TYR A 77 76.334 14.461 8.292 1.00 0.00 C ATOM 1304 O TYR A 77 75.832 14.041 9.315 1.00 0.00 O ATOM 1305 CB TYR A 77 78.547 13.864 9.251 1.00 0.00 C ATOM 1306 CG TYR A 77 77.917 12.655 9.900 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.680 11.502 9.142 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.565 12.688 11.255 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.092 10.380 9.738 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.975 11.565 11.850 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.739 10.412 11.093 1.00 0.00 C ATOM 1312 OH TYR A 77 76.156 9.308 11.681 1.00 0.00 O ATOM 0 H TYR A 77 78.891 16.009 7.917 1.00 0.00 H new ATOM 0 HA TYR A 77 77.870 13.331 7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.599 13.673 9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.506 14.718 9.927 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.951 11.478 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.748 13.577 11.840 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.911 9.490 9.153 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.702 11.589 12.895 1.00 0.00 H new ATOM 0 HH TYR A 77 75.975 9.497 12.625 1.00 0.00 H new ATOM 1322 N ARG A 78 75.643 15.170 7.446 1.00 0.00 N ATOM 1323 CA ARG A 78 74.218 15.472 7.730 1.00 0.00 C ATOM 1324 C ARG A 78 73.420 15.507 6.423 1.00 0.00 C ATOM 1325 O ARG A 78 72.443 16.218 6.305 1.00 0.00 O ATOM 1326 CB ARG A 78 74.115 16.826 8.446 1.00 0.00 C ATOM 1327 CG ARG A 78 74.219 17.966 7.429 1.00 0.00 C ATOM 1328 CD ARG A 78 75.090 19.083 8.004 1.00 0.00 C ATOM 1329 NE ARG A 78 74.220 20.162 8.553 1.00 0.00 N ATOM 1330 CZ ARG A 78 74.663 20.936 9.505 1.00 0.00 C ATOM 1331 NH1 ARG A 78 74.779 20.476 10.721 1.00 0.00 N ATOM 1332 NH2 ARG A 78 74.990 22.172 9.242 1.00 0.00 N ATOM 0 H ARG A 78 76.004 15.552 6.572 1.00 0.00 H new ATOM 0 HA ARG A 78 73.805 14.694 8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 78 73.169 16.892 8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.909 16.916 9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 78 74.649 17.598 6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 78 73.226 18.349 7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 78 75.735 18.688 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 78 75.741 19.486 7.228 1.00 0.00 H new ATOM 0 HE ARG A 78 73.278 20.295 8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 78 74.523 19.510 10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 78 75.126 21.082 11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 78 74.899 22.533 8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 78 75.336 22.777 9.986 1.00 0.00 H new ATOM 1346 N ALA A 79 73.823 14.744 5.442 1.00 0.00 N ATOM 1347 CA ALA A 79 73.078 14.744 4.159 1.00 0.00 C ATOM 1348 C ALA A 79 72.835 13.313 3.703 1.00 0.00 C ATOM 1349 O ALA A 79 71.710 12.873 3.574 1.00 0.00 O ATOM 1350 CB ALA A 79 73.879 15.499 3.099 1.00 0.00 C ATOM 0 H ALA A 79 74.633 14.125 5.477 1.00 0.00 H new ATOM 0 HA ALA A 79 72.117 15.239 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.329 15.497 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.036 16.527 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.844 15.012 2.957 1.00 0.00 H new ATOM 1356 N LEU A 80 73.878 12.582 3.473 1.00 0.00 N ATOM 1357 CA LEU A 80 73.706 11.170 3.040 1.00 0.00 C ATOM 1358 C LEU A 80 73.286 10.331 4.245 1.00 0.00 C ATOM 1359 O LEU A 80 73.088 9.137 4.142 1.00 0.00 O ATOM 1360 CB LEU A 80 75.025 10.641 2.471 1.00 0.00 C ATOM 1361 CG LEU A 80 74.945 10.606 0.944 1.00 0.00 C ATOM 1362 CD1 LEU A 80 74.973 12.035 0.397 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.138 9.826 0.390 1.00 0.00 C ATOM 0 H LEU A 80 74.844 12.896 3.565 1.00 0.00 H new ATOM 0 HA LEU A 80 72.940 11.110 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.851 11.277 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.226 9.642 2.858 1.00 0.00 H new ATOM 0 HG LEU A 80 74.018 10.119 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 80 74.916 12.009 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 80 74.124 12.592 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 80 75.899 12.523 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.082 9.800 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.064 10.313 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.119 8.808 0.778 1.00 0.00 H new ATOM 1375 N ILE A 81 73.128 10.946 5.386 1.00 0.00 N ATOM 1376 CA ILE A 81 72.702 10.180 6.578 1.00 0.00 C ATOM 1377 C ILE A 81 71.198 9.941 6.467 1.00 0.00 C ATOM 1378 O ILE A 81 70.690 8.897 6.825 1.00 0.00 O ATOM 1379 CB ILE A 81 73.070 10.946 7.871 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.835 11.596 8.511 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.106 12.021 7.574 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.103 10.555 9.358 1.00 0.00 C ATOM 0 H ILE A 81 73.277 11.944 5.538 1.00 0.00 H new ATOM 0 HA ILE A 81 73.217 9.220 6.626 1.00 0.00 H new ATOM 0 HB ILE A 81 73.483 10.221 8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.134 12.442 9.130 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.172 11.985 7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.354 12.551 8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.005 11.558 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 81 73.701 12.725 6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.225 11.010 9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.793 9.724 8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.769 10.187 10.139 1.00 0.00 H new ATOM 1394 N GLU A 82 70.490 10.905 5.962 1.00 0.00 N ATOM 1395 CA GLU A 82 69.024 10.752 5.810 1.00 0.00 C ATOM 1396 C GLU A 82 68.708 10.128 4.447 1.00 0.00 C ATOM 1397 O GLU A 82 67.591 9.728 4.185 1.00 0.00 O ATOM 1398 CB GLU A 82 68.355 12.124 5.909 1.00 0.00 C ATOM 1399 CG GLU A 82 67.584 12.222 7.227 1.00 0.00 C ATOM 1400 CD GLU A 82 66.181 12.770 6.959 1.00 0.00 C ATOM 1401 OE1 GLU A 82 66.057 13.972 6.796 1.00 0.00 O ATOM 1402 OE2 GLU A 82 65.254 11.977 6.921 1.00 0.00 O ATOM 0 H GLU A 82 70.867 11.798 5.646 1.00 0.00 H new ATOM 0 HA GLU A 82 68.646 10.103 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.107 12.912 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 82 67.678 12.272 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.519 11.240 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.113 12.873 7.923 1.00 0.00 H new ATOM 1409 N LYS A 83 69.675 10.049 3.569 1.00 0.00 N ATOM 1410 CA LYS A 83 69.409 9.462 2.231 1.00 0.00 C ATOM 1411 C LYS A 83 70.038 8.069 2.125 1.00 0.00 C ATOM 1412 O LYS A 83 70.266 7.569 1.043 1.00 0.00 O ATOM 1413 CB LYS A 83 70.002 10.371 1.152 1.00 0.00 C ATOM 1414 CG LYS A 83 69.428 11.781 1.302 1.00 0.00 C ATOM 1415 CD LYS A 83 70.050 12.703 0.250 1.00 0.00 C ATOM 1416 CE LYS A 83 69.022 12.997 -0.843 1.00 0.00 C ATOM 1417 NZ LYS A 83 69.482 12.404 -2.130 1.00 0.00 N ATOM 0 H LYS A 83 70.632 10.366 3.724 1.00 0.00 H new ATOM 0 HA LYS A 83 68.332 9.374 2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.088 10.398 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.772 9.976 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.345 11.758 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.633 12.163 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 83 70.378 13.633 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 83 70.933 12.234 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.052 12.584 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 83 68.890 14.073 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 69.382 13.106 -2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 70.480 12.124 -2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 68.905 11.568 -2.353 1.00 0.00 H new ATOM 1431 N LEU A 84 70.325 7.436 3.232 1.00 0.00 N ATOM 1432 CA LEU A 84 70.941 6.084 3.166 1.00 0.00 C ATOM 1433 C LEU A 84 70.433 5.201 4.309 1.00 0.00 C ATOM 1434 O LEU A 84 69.630 4.312 4.112 1.00 0.00 O ATOM 1435 CB LEU A 84 72.461 6.222 3.264 1.00 0.00 C ATOM 1436 CG LEU A 84 72.936 7.222 2.216 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.433 7.484 2.395 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.683 6.650 0.822 1.00 0.00 C ATOM 0 H LEU A 84 70.160 7.796 4.172 1.00 0.00 H new ATOM 0 HA LEU A 84 70.667 5.617 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.745 6.558 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.938 5.255 3.105 1.00 0.00 H new ATOM 0 HG LEU A 84 72.390 8.158 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.770 8.199 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.615 7.890 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.982 6.550 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.021 7.362 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.230 5.714 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.617 6.465 0.693 1.00 0.00 H new ATOM 1450 N GLY A 85 70.912 5.431 5.498 1.00 0.00 N ATOM 1451 CA GLY A 85 70.481 4.599 6.659 1.00 0.00 C ATOM 1452 C GLY A 85 71.624 4.554 7.672 1.00 0.00 C ATOM 1453 O GLY A 85 72.159 3.508 7.984 1.00 0.00 O ATOM 0 H GLY A 85 71.587 6.163 5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.586 5.021 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 85 70.226 3.592 6.330 1.00 0.00 H new ATOM 1457 N ILE A 86 72.015 5.694 8.163 1.00 0.00 N ATOM 1458 CA ILE A 86 73.114 5.791 9.115 1.00 0.00 C ATOM 1459 C ILE A 86 72.552 5.643 10.542 1.00 0.00 C ATOM 1460 O ILE A 86 72.042 4.602 10.901 1.00 0.00 O ATOM 1461 CB ILE A 86 73.691 7.174 8.850 1.00 0.00 C ATOM 1462 CG1 ILE A 86 74.903 7.490 9.710 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.604 8.204 9.114 1.00 0.00 C ATOM 1464 CD1 ILE A 86 75.618 6.207 10.152 1.00 0.00 C ATOM 0 H ILE A 86 71.590 6.589 7.923 1.00 0.00 H new ATOM 0 HA ILE A 86 73.878 5.020 9.013 1.00 0.00 H new ATOM 0 HB ILE A 86 74.027 7.201 7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 86 75.594 8.121 9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 86 74.592 8.057 10.587 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.997 9.204 8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.759 8.019 8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 86 72.276 8.129 10.151 1.00 0.00 H new ATOM 0 HD11 ILE A 86 76.481 6.465 10.766 1.00 0.00 H new ATOM 0 HD12 ILE A 86 74.932 5.589 10.731 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.950 5.654 9.273 1.00 0.00 H new ATOM 1476 N ARG A 87 72.628 6.660 11.357 1.00 0.00 N ATOM 1477 CA ARG A 87 72.101 6.571 12.719 1.00 0.00 C ATOM 1478 C ARG A 87 71.218 7.789 12.979 1.00 0.00 C ATOM 1479 O ARG A 87 70.309 8.084 12.230 1.00 0.00 O ATOM 1480 CB ARG A 87 73.285 6.524 13.680 1.00 0.00 C ATOM 1481 CG ARG A 87 74.063 5.223 13.466 1.00 0.00 C ATOM 1482 CD ARG A 87 75.159 5.105 14.526 1.00 0.00 C ATOM 1483 NE ARG A 87 74.663 4.283 15.665 1.00 0.00 N ATOM 1484 CZ ARG A 87 75.038 3.039 15.784 1.00 0.00 C ATOM 1485 NH1 ARG A 87 75.417 2.369 14.730 1.00 0.00 N ATOM 1486 NH2 ARG A 87 75.034 2.465 16.956 1.00 0.00 N ATOM 0 H ARG A 87 73.044 7.560 11.117 1.00 0.00 H new ATOM 0 HA ARG A 87 71.497 5.675 12.860 1.00 0.00 H new ATOM 0 HB2 ARG A 87 73.937 7.382 13.514 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.934 6.585 14.710 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.389 4.369 13.528 1.00 0.00 H new ATOM 0 HG3 ARG A 87 74.503 5.210 12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 87 76.049 4.648 14.094 1.00 0.00 H new ATOM 0 HD3 ARG A 87 75.448 6.096 14.877 1.00 0.00 H new ATOM 0 HE ARG A 87 74.030 4.693 16.352 1.00 0.00 H new ATOM 0 HH11 ARG A 87 75.420 2.818 13.814 1.00 0.00 H new ATOM 0 HH12 ARG A 87 75.710 1.396 14.822 1.00 0.00 H new ATOM 0 HH21 ARG A 87 74.738 2.989 17.779 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.327 1.492 17.049 1.00 0.00 H new ATOM 1500 N GLY A 88 71.477 8.492 14.028 1.00 0.00 N ATOM 1501 CA GLY A 88 70.660 9.697 14.350 1.00 0.00 C ATOM 1502 C GLY A 88 71.583 10.884 14.625 1.00 0.00 C ATOM 1503 O GLY A 88 71.243 11.689 15.477 1.00 0.00 O ATOM 1504 OXT GLY A 88 72.615 10.969 13.980 1.00 0.00 O ATOM 0 H GLY A 88 72.226 8.290 14.690 1.00 0.00 H new ATOM 0 HA2 GLY A 88 69.992 9.928 13.521 1.00 0.00 H new ATOM 0 HA3 GLY A 88 70.033 9.502 15.220 1.00 0.00 H new TER 1508 GLY A 88