USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 41 HIS :FLIP no HE2:sc= 0.107 F(o=-3.3,f=0.59) USER MOD Set 1.2: A 51 SER OG : rot -151:sc= 0.48 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 : amide:sc= -0.0908 X(o=-0.091,f=-0.31) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -5.78! C(o=-5.8!,f=-7.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -160:sc= 0.304 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.182 X(o=-0.18,f=0.24) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0212 X(o=0.021,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.965 F(o=-4.9!,f=-0.96) USER MOD Single : A 50 HIS : no HD1:sc= -0.465 X(o=-0.47,f=-0.17) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 152:sc= -0.332 (180deg=-1.75!) USER MOD Single : A 58 MET CE :methyl -177:sc= -2.58 (180deg=-2.65) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0581 F(o=-0.65,f=-0.058) USER MOD Single : A 77 TYR OH : rot 180:sc= -2.06 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 73.365 0.044 -16.437 1.00 0.00 N ATOM 37 CA THR A 3 72.355 -0.723 -17.208 1.00 0.00 C ATOM 38 C THR A 3 71.204 0.203 -17.625 1.00 0.00 C ATOM 39 O THR A 3 71.328 1.412 -17.609 1.00 0.00 O ATOM 40 CB THR A 3 71.839 -1.900 -16.357 1.00 0.00 C ATOM 41 OG1 THR A 3 71.622 -3.022 -17.199 1.00 0.00 O ATOM 42 CG2 THR A 3 70.527 -1.540 -15.651 1.00 0.00 C ATOM 0 HA THR A 3 72.812 -1.126 -18.112 1.00 0.00 H new ATOM 0 HB THR A 3 72.586 -2.131 -15.598 1.00 0.00 H new ATOM 0 HG1 THR A 3 71.295 -3.775 -16.663 1.00 0.00 H new ATOM 0 HG21 THR A 3 70.188 -2.390 -15.058 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.689 -0.683 -14.997 1.00 0.00 H new ATOM 0 HG23 THR A 3 69.770 -1.291 -16.395 1.00 0.00 H new ATOM 50 N LYS A 4 70.090 -0.360 -18.001 1.00 0.00 N ATOM 51 CA LYS A 4 68.931 0.475 -18.426 1.00 0.00 C ATOM 52 C LYS A 4 68.564 1.470 -17.320 1.00 0.00 C ATOM 53 O LYS A 4 68.865 2.643 -17.406 1.00 0.00 O ATOM 54 CB LYS A 4 67.731 -0.430 -18.712 1.00 0.00 C ATOM 55 CG LYS A 4 67.560 -0.588 -20.224 1.00 0.00 C ATOM 56 CD LYS A 4 67.199 -2.040 -20.547 1.00 0.00 C ATOM 57 CE LYS A 4 65.844 -2.084 -21.254 1.00 0.00 C ATOM 58 NZ LYS A 4 66.025 -2.588 -22.645 1.00 0.00 N ATOM 0 H LYS A 4 69.931 -1.367 -18.033 1.00 0.00 H new ATOM 0 HA LYS A 4 69.201 1.027 -19.326 1.00 0.00 H new ATOM 0 HB2 LYS A 4 67.879 -1.405 -18.248 1.00 0.00 H new ATOM 0 HB3 LYS A 4 66.828 -0.003 -18.276 1.00 0.00 H new ATOM 0 HG2 LYS A 4 66.779 0.081 -20.584 1.00 0.00 H new ATOM 0 HG3 LYS A 4 68.481 -0.308 -20.736 1.00 0.00 H new ATOM 0 HD2 LYS A 4 67.966 -2.484 -21.181 1.00 0.00 H new ATOM 0 HD3 LYS A 4 67.162 -2.629 -19.631 1.00 0.00 H new ATOM 0 HE2 LYS A 4 65.158 -2.731 -20.708 1.00 0.00 H new ATOM 0 HE3 LYS A 4 65.398 -1.089 -21.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 65.103 -2.618 -23.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 66.666 -1.954 -23.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 66.432 -3.545 -22.617 1.00 0.00 H new ATOM 72 N GLU A 5 67.901 1.016 -16.290 1.00 0.00 N ATOM 73 CA GLU A 5 67.501 1.939 -15.195 1.00 0.00 C ATOM 74 C GLU A 5 68.605 2.032 -14.153 1.00 0.00 C ATOM 75 O GLU A 5 68.397 2.463 -13.036 1.00 0.00 O ATOM 76 CB GLU A 5 66.227 1.426 -14.537 1.00 0.00 C ATOM 77 CG GLU A 5 65.065 2.369 -14.857 1.00 0.00 C ATOM 78 CD GLU A 5 64.387 1.922 -16.153 1.00 0.00 C ATOM 79 OE1 GLU A 5 65.000 1.166 -16.890 1.00 0.00 O ATOM 80 OE2 GLU A 5 63.266 2.342 -16.388 1.00 0.00 O ATOM 0 H GLU A 5 67.620 0.044 -16.162 1.00 0.00 H new ATOM 0 HA GLU A 5 67.326 2.929 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 5 66.001 0.421 -14.894 1.00 0.00 H new ATOM 0 HB3 GLU A 5 66.366 1.357 -13.458 1.00 0.00 H new ATOM 0 HG2 GLU A 5 64.345 2.367 -14.038 1.00 0.00 H new ATOM 0 HG3 GLU A 5 65.430 3.391 -14.959 1.00 0.00 H new ATOM 87 N GLU A 6 69.775 1.642 -14.520 1.00 0.00 N ATOM 88 CA GLU A 6 70.920 1.708 -13.576 1.00 0.00 C ATOM 89 C GLU A 6 71.556 3.089 -13.640 1.00 0.00 C ATOM 90 O GLU A 6 72.524 3.385 -12.969 1.00 0.00 O ATOM 91 CB GLU A 6 71.949 0.655 -13.954 1.00 0.00 C ATOM 92 CG GLU A 6 71.648 -0.648 -13.211 1.00 0.00 C ATOM 93 CD GLU A 6 72.304 -0.612 -11.830 1.00 0.00 C ATOM 94 OE1 GLU A 6 72.482 0.476 -11.309 1.00 0.00 O ATOM 95 OE2 GLU A 6 72.620 -1.674 -11.318 1.00 0.00 O ATOM 0 H GLU A 6 69.999 1.274 -15.444 1.00 0.00 H new ATOM 0 HA GLU A 6 70.565 1.522 -12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 6 71.930 0.484 -15.030 1.00 0.00 H new ATOM 0 HB3 GLU A 6 72.951 1.005 -13.704 1.00 0.00 H new ATOM 0 HG2 GLU A 6 70.571 -0.781 -13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 6 72.022 -1.499 -13.781 1.00 0.00 H new ATOM 102 N LYS A 7 71.001 3.926 -14.445 1.00 0.00 N ATOM 103 CA LYS A 7 71.528 5.305 -14.591 1.00 0.00 C ATOM 104 C LYS A 7 70.376 6.313 -14.519 1.00 0.00 C ATOM 105 O LYS A 7 70.588 7.509 -14.528 1.00 0.00 O ATOM 106 CB LYS A 7 72.243 5.441 -15.937 1.00 0.00 C ATOM 107 CG LYS A 7 73.677 4.928 -15.810 1.00 0.00 C ATOM 108 CD LYS A 7 74.650 6.109 -15.858 1.00 0.00 C ATOM 109 CE LYS A 7 74.997 6.427 -17.314 1.00 0.00 C ATOM 110 NZ LYS A 7 74.969 7.902 -17.520 1.00 0.00 N ATOM 0 H LYS A 7 70.187 3.716 -15.023 1.00 0.00 H new ATOM 0 HA LYS A 7 72.232 5.506 -13.783 1.00 0.00 H new ATOM 0 HB2 LYS A 7 71.710 4.876 -16.702 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.246 6.484 -16.255 1.00 0.00 H new ATOM 0 HG2 LYS A 7 73.797 4.382 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.897 4.229 -16.617 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.203 6.981 -15.381 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.556 5.870 -15.301 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.984 6.034 -17.558 1.00 0.00 H new ATOM 0 HE3 LYS A 7 74.286 5.942 -17.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.205 8.119 -18.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.019 8.265 -17.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.664 8.354 -16.892 1.00 0.00 H new ATOM 124 N GLN A 8 69.157 5.844 -14.446 1.00 0.00 N ATOM 125 CA GLN A 8 68.003 6.786 -14.373 1.00 0.00 C ATOM 126 C GLN A 8 68.256 7.816 -13.272 1.00 0.00 C ATOM 127 O GLN A 8 67.829 8.951 -13.360 1.00 0.00 O ATOM 128 CB GLN A 8 66.726 6.003 -14.058 1.00 0.00 C ATOM 129 CG GLN A 8 67.016 4.969 -12.969 1.00 0.00 C ATOM 130 CD GLN A 8 66.175 5.281 -11.729 1.00 0.00 C ATOM 131 OE1 GLN A 8 64.995 5.547 -11.834 1.00 0.00 O ATOM 132 NE2 GLN A 8 66.738 5.260 -10.553 1.00 0.00 N ATOM 0 H GLN A 8 68.913 4.854 -14.434 1.00 0.00 H new ATOM 0 HA GLN A 8 67.889 7.297 -15.329 1.00 0.00 H new ATOM 0 HB2 GLN A 8 65.942 6.684 -13.728 1.00 0.00 H new ATOM 0 HB3 GLN A 8 66.360 5.507 -14.957 1.00 0.00 H new ATOM 0 HG2 GLN A 8 66.787 3.968 -13.334 1.00 0.00 H new ATOM 0 HG3 GLN A 8 68.076 4.981 -12.715 1.00 0.00 H new ATOM 0 HE21 GLN A 8 67.729 5.036 -10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 8 66.187 5.467 -9.720 1.00 0.00 H new ATOM 141 N LYS A 9 68.948 7.432 -12.234 1.00 0.00 N ATOM 142 CA LYS A 9 69.230 8.389 -11.129 1.00 0.00 C ATOM 143 C LYS A 9 69.925 7.654 -9.982 1.00 0.00 C ATOM 144 O LYS A 9 69.646 7.884 -8.823 1.00 0.00 O ATOM 145 CB LYS A 9 67.916 8.992 -10.627 1.00 0.00 C ATOM 146 CG LYS A 9 67.786 10.429 -11.137 1.00 0.00 C ATOM 147 CD LYS A 9 66.313 10.745 -11.406 1.00 0.00 C ATOM 148 CE LYS A 9 65.651 11.225 -10.114 1.00 0.00 C ATOM 149 NZ LYS A 9 64.215 10.826 -10.114 1.00 0.00 N ATOM 0 H LYS A 9 69.330 6.495 -12.104 1.00 0.00 H new ATOM 0 HA LYS A 9 69.878 9.185 -11.496 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.073 8.394 -10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.890 8.978 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.190 11.125 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.369 10.556 -12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.229 11.511 -12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.802 9.858 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.159 10.795 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.739 12.308 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 63.764 11.152 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 63.735 11.257 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.142 9.790 -10.177 1.00 0.00 H new ATOM 163 N VAL A 10 70.825 6.762 -10.298 1.00 0.00 N ATOM 164 CA VAL A 10 71.529 6.006 -9.233 1.00 0.00 C ATOM 165 C VAL A 10 72.801 6.747 -8.814 1.00 0.00 C ATOM 166 O VAL A 10 72.885 7.296 -7.734 1.00 0.00 O ATOM 167 CB VAL A 10 71.898 4.616 -9.754 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.770 3.899 -8.722 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.622 3.807 -9.992 1.00 0.00 C ATOM 0 H VAL A 10 71.101 6.527 -11.251 1.00 0.00 H new ATOM 0 HA VAL A 10 70.871 5.912 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 10 72.448 4.713 -10.690 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.033 2.908 -9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.679 4.475 -8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.220 3.801 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 10 70.883 2.816 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.073 3.710 -9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 10 69.999 4.317 -10.727 1.00 0.00 H new ATOM 179 N ILE A 11 73.797 6.748 -9.654 1.00 0.00 N ATOM 180 CA ILE A 11 75.072 7.430 -9.304 1.00 0.00 C ATOM 181 C ILE A 11 74.914 8.936 -9.448 1.00 0.00 C ATOM 182 O ILE A 11 75.286 9.703 -8.587 1.00 0.00 O ATOM 183 CB ILE A 11 76.202 6.914 -10.211 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.405 7.781 -11.471 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.903 5.476 -10.631 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.351 7.441 -12.519 1.00 0.00 C ATOM 0 H ILE A 11 73.782 6.304 -10.572 1.00 0.00 H new ATOM 0 HA ILE A 11 75.327 7.209 -8.268 1.00 0.00 H new ATOM 0 HB ILE A 11 77.124 6.965 -9.632 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.341 8.837 -11.209 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.402 7.614 -11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.704 5.111 -11.274 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.833 4.845 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.959 5.445 -11.175 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.505 8.059 -13.403 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.436 6.389 -12.792 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.358 7.631 -12.111 1.00 0.00 H new ATOM 198 N GLN A 12 74.372 9.351 -10.543 1.00 0.00 N ATOM 199 CA GLN A 12 74.175 10.815 -10.783 1.00 0.00 C ATOM 200 C GLN A 12 73.745 11.461 -9.468 1.00 0.00 C ATOM 201 O GLN A 12 74.101 12.580 -9.158 1.00 0.00 O ATOM 202 CB GLN A 12 73.101 11.032 -11.856 1.00 0.00 C ATOM 203 CG GLN A 12 71.712 10.780 -11.266 1.00 0.00 C ATOM 204 CD GLN A 12 70.647 11.226 -12.271 1.00 0.00 C ATOM 205 OE1 GLN A 12 69.826 12.069 -11.970 1.00 0.00 O ATOM 206 NE2 GLN A 12 70.626 10.690 -13.460 1.00 0.00 N ATOM 0 H GLN A 12 74.050 8.743 -11.296 1.00 0.00 H new ATOM 0 HA GLN A 12 75.103 11.266 -11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 12 73.162 12.049 -12.242 1.00 0.00 H new ATOM 0 HB3 GLN A 12 73.275 10.361 -12.697 1.00 0.00 H new ATOM 0 HG2 GLN A 12 71.589 9.722 -11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.597 11.327 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 12 71.316 9.982 -13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 12 69.920 10.979 -14.137 1.00 0.00 H new ATOM 215 N GLU A 13 73.011 10.728 -8.679 1.00 0.00 N ATOM 216 CA GLU A 13 72.579 11.242 -7.360 1.00 0.00 C ATOM 217 C GLU A 13 73.628 10.833 -6.323 1.00 0.00 C ATOM 218 O GLU A 13 73.957 11.580 -5.422 1.00 0.00 O ATOM 219 CB GLU A 13 71.222 10.642 -6.988 1.00 0.00 C ATOM 220 CG GLU A 13 70.886 10.994 -5.538 1.00 0.00 C ATOM 221 CD GLU A 13 69.577 10.313 -5.137 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.782 10.032 -6.019 1.00 0.00 O ATOM 223 OE2 GLU A 13 69.391 10.082 -3.952 1.00 0.00 O ATOM 0 H GLU A 13 72.691 9.785 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 13 72.482 12.327 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.449 11.025 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 13 71.245 9.560 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 13 71.692 10.673 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.795 12.074 -5.427 1.00 0.00 H new ATOM 230 N PHE A 14 74.155 9.642 -6.454 1.00 0.00 N ATOM 231 CA PHE A 14 75.182 9.160 -5.499 1.00 0.00 C ATOM 232 C PHE A 14 76.571 9.610 -5.957 1.00 0.00 C ATOM 233 O PHE A 14 77.210 10.418 -5.312 1.00 0.00 O ATOM 234 CB PHE A 14 75.138 7.633 -5.427 1.00 0.00 C ATOM 235 CG PHE A 14 74.082 7.206 -4.436 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.994 7.840 -3.191 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.190 6.177 -4.762 1.00 0.00 C ATOM 238 CE1 PHE A 14 73.016 7.446 -2.272 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.211 5.783 -3.842 1.00 0.00 C ATOM 240 CZ PHE A 14 72.124 6.417 -2.598 1.00 0.00 C ATOM 0 H PHE A 14 73.911 8.981 -7.191 1.00 0.00 H new ATOM 0 HA PHE A 14 74.977 9.577 -4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.918 7.218 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.111 7.244 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.682 8.634 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.257 5.688 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.949 7.935 -1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.523 4.989 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.369 6.113 -1.889 1.00 0.00 H new ATOM 250 N ALA A 15 77.049 9.093 -7.059 1.00 0.00 N ATOM 251 CA ALA A 15 78.402 9.501 -7.541 1.00 0.00 C ATOM 252 C ALA A 15 78.563 11.014 -7.401 1.00 0.00 C ATOM 253 O ALA A 15 77.668 11.775 -7.710 1.00 0.00 O ATOM 254 CB ALA A 15 78.572 9.120 -9.013 1.00 0.00 C ATOM 0 H ALA A 15 76.565 8.411 -7.643 1.00 0.00 H new ATOM 0 HA ALA A 15 79.156 8.990 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.562 9.422 -9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.463 8.041 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.812 9.625 -9.610 1.00 0.00 H new ATOM 260 N ARG A 16 79.703 11.455 -6.948 1.00 0.00 N ATOM 261 CA ARG A 16 79.928 12.917 -6.801 1.00 0.00 C ATOM 262 C ARG A 16 80.573 13.446 -8.080 1.00 0.00 C ATOM 263 O ARG A 16 81.231 14.466 -8.098 1.00 0.00 O ATOM 264 CB ARG A 16 80.846 13.175 -5.605 1.00 0.00 C ATOM 265 CG ARG A 16 81.224 14.652 -5.562 1.00 0.00 C ATOM 266 CD ARG A 16 81.368 15.101 -4.107 1.00 0.00 C ATOM 267 NE ARG A 16 80.083 15.692 -3.639 1.00 0.00 N ATOM 268 CZ ARG A 16 79.601 15.364 -2.472 1.00 0.00 C ATOM 269 NH1 ARG A 16 80.383 15.330 -1.428 1.00 0.00 N ATOM 270 NH2 ARG A 16 78.335 15.071 -2.349 1.00 0.00 N ATOM 0 H ARG A 16 80.488 10.865 -6.673 1.00 0.00 H new ATOM 0 HA ARG A 16 78.979 13.427 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 16 80.344 12.890 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 16 81.743 12.561 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 16 82.159 14.814 -6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.462 15.248 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 16 81.640 14.253 -3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 16 82.171 15.833 -4.019 1.00 0.00 H new ATOM 0 HE ARG A 16 79.580 16.353 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 16 81.372 15.560 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 16 80.005 15.073 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.724 15.099 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 16 77.957 14.814 -1.437 1.00 0.00 H new ATOM 284 N PHE A 17 80.383 12.740 -9.148 1.00 0.00 N ATOM 285 CA PHE A 17 80.970 13.155 -10.448 1.00 0.00 C ATOM 286 C PHE A 17 80.535 12.151 -11.511 1.00 0.00 C ATOM 287 O PHE A 17 79.967 11.125 -11.192 1.00 0.00 O ATOM 288 CB PHE A 17 82.497 13.146 -10.322 1.00 0.00 C ATOM 289 CG PHE A 17 82.993 14.546 -10.052 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.457 15.631 -10.758 1.00 0.00 C ATOM 291 CD2 PHE A 17 83.988 14.760 -9.091 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.918 16.928 -10.502 1.00 0.00 C ATOM 293 CE2 PHE A 17 84.449 16.057 -8.836 1.00 0.00 C ATOM 294 CZ PHE A 17 83.914 17.141 -9.542 1.00 0.00 C ATOM 0 H PHE A 17 79.838 11.879 -9.180 1.00 0.00 H new ATOM 0 HA PHE A 17 80.635 14.155 -10.724 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.801 12.480 -9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.945 12.761 -11.238 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.689 15.467 -11.499 1.00 0.00 H new ATOM 0 HD2 PHE A 17 84.400 13.924 -8.546 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.505 17.765 -11.046 1.00 0.00 H new ATOM 0 HE2 PHE A 17 85.217 16.221 -8.095 1.00 0.00 H new ATOM 0 HZ PHE A 17 84.270 18.142 -9.346 1.00 0.00 H new ATOM 304 N PRO A 18 80.830 12.459 -12.742 1.00 0.00 N ATOM 305 CA PRO A 18 80.494 11.574 -13.866 1.00 0.00 C ATOM 306 C PRO A 18 81.364 10.315 -13.799 1.00 0.00 C ATOM 307 O PRO A 18 81.183 9.378 -14.551 1.00 0.00 O ATOM 308 CB PRO A 18 80.784 12.431 -15.102 1.00 0.00 C ATOM 309 CG PRO A 18 81.754 13.542 -14.639 1.00 0.00 C ATOM 310 CD PRO A 18 81.532 13.700 -13.127 1.00 0.00 C ATOM 0 HA PRO A 18 79.463 11.219 -13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.230 11.831 -15.896 1.00 0.00 H new ATOM 0 HB3 PRO A 18 79.865 12.859 -15.503 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.788 13.271 -14.855 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.553 14.477 -15.162 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.476 13.807 -12.593 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.935 14.584 -12.901 1.00 0.00 H new ATOM 318 N GLY A 19 82.294 10.286 -12.880 1.00 0.00 N ATOM 319 CA GLY A 19 83.167 9.092 -12.726 1.00 0.00 C ATOM 320 C GLY A 19 83.294 8.754 -11.234 1.00 0.00 C ATOM 321 O GLY A 19 84.006 7.845 -10.855 1.00 0.00 O ATOM 0 H GLY A 19 82.485 11.046 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 19 82.746 8.246 -13.269 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.151 9.287 -13.153 1.00 0.00 H new ATOM 325 N ASP A 20 82.608 9.478 -10.381 1.00 0.00 N ATOM 326 CA ASP A 20 82.695 9.194 -8.924 1.00 0.00 C ATOM 327 C ASP A 20 81.604 8.202 -8.530 1.00 0.00 C ATOM 328 O ASP A 20 81.053 8.257 -7.449 1.00 0.00 O ATOM 329 CB ASP A 20 82.526 10.486 -8.125 1.00 0.00 C ATOM 330 CG ASP A 20 83.889 11.163 -7.960 1.00 0.00 C ATOM 331 OD1 ASP A 20 84.648 11.164 -8.915 1.00 0.00 O ATOM 332 OD2 ASP A 20 84.150 11.670 -6.881 1.00 0.00 O ATOM 0 H ASP A 20 81.994 10.251 -10.636 1.00 0.00 H new ATOM 0 HA ASP A 20 83.673 8.766 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.835 11.155 -8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 20 82.095 10.269 -7.148 1.00 0.00 H new ATOM 337 N THR A 21 81.300 7.289 -9.401 1.00 0.00 N ATOM 338 CA THR A 21 80.256 6.273 -9.097 1.00 0.00 C ATOM 339 C THR A 21 80.925 5.095 -8.399 1.00 0.00 C ATOM 340 O THR A 21 80.324 4.403 -7.603 1.00 0.00 O ATOM 341 CB THR A 21 79.600 5.798 -10.396 1.00 0.00 C ATOM 342 OG1 THR A 21 80.337 4.704 -10.922 1.00 0.00 O ATOM 343 CG2 THR A 21 79.584 6.941 -11.413 1.00 0.00 C ATOM 0 H THR A 21 81.733 7.200 -10.320 1.00 0.00 H new ATOM 0 HA THR A 21 79.488 6.705 -8.455 1.00 0.00 H new ATOM 0 HB THR A 21 78.576 5.484 -10.192 1.00 0.00 H new ATOM 0 HG1 THR A 21 79.918 4.397 -11.753 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.116 6.600 -12.337 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.018 7.780 -11.008 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.606 7.259 -11.620 1.00 0.00 H new ATOM 351 N GLY A 22 82.181 4.882 -8.671 1.00 0.00 N ATOM 352 CA GLY A 22 82.907 3.774 -7.999 1.00 0.00 C ATOM 353 C GLY A 22 83.517 4.315 -6.704 1.00 0.00 C ATOM 354 O GLY A 22 84.215 3.620 -5.994 1.00 0.00 O ATOM 0 H GLY A 22 82.735 5.428 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.227 2.950 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.687 3.381 -8.651 1.00 0.00 H new ATOM 358 N SER A 23 83.253 5.562 -6.394 1.00 0.00 N ATOM 359 CA SER A 23 83.813 6.160 -5.148 1.00 0.00 C ATOM 360 C SER A 23 83.328 5.363 -3.935 1.00 0.00 C ATOM 361 O SER A 23 82.691 4.336 -4.069 1.00 0.00 O ATOM 362 CB SER A 23 83.342 7.611 -5.025 1.00 0.00 C ATOM 363 OG SER A 23 82.152 7.655 -4.250 1.00 0.00 O ATOM 0 H SER A 23 82.673 6.189 -6.952 1.00 0.00 H new ATOM 0 HA SER A 23 84.902 6.131 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 23 84.117 8.218 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 23 83.161 8.032 -6.014 1.00 0.00 H new ATOM 0 HG SER A 23 81.678 8.495 -4.425 1.00 0.00 H new ATOM 369 N THR A 24 83.622 5.828 -2.751 1.00 0.00 N ATOM 370 CA THR A 24 83.176 5.096 -1.531 1.00 0.00 C ATOM 371 C THR A 24 81.739 5.497 -1.193 1.00 0.00 C ATOM 372 O THR A 24 81.032 4.785 -0.509 1.00 0.00 O ATOM 373 CB THR A 24 84.095 5.448 -0.358 1.00 0.00 C ATOM 374 OG1 THR A 24 85.350 4.804 -0.532 1.00 0.00 O ATOM 375 CG2 THR A 24 83.458 4.984 0.953 1.00 0.00 C ATOM 0 H THR A 24 84.151 6.682 -2.576 1.00 0.00 H new ATOM 0 HA THR A 24 83.220 4.023 -1.715 1.00 0.00 H new ATOM 0 HB THR A 24 84.241 6.528 -0.324 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.940 5.030 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.115 5.236 1.786 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.497 5.480 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.308 3.905 0.923 1.00 0.00 H new ATOM 383 N GLU A 25 81.302 6.631 -1.666 1.00 0.00 N ATOM 384 CA GLU A 25 79.913 7.076 -1.374 1.00 0.00 C ATOM 385 C GLU A 25 78.929 6.190 -2.136 1.00 0.00 C ATOM 386 O GLU A 25 78.131 5.481 -1.556 1.00 0.00 O ATOM 387 CB GLU A 25 79.746 8.525 -1.829 1.00 0.00 C ATOM 388 CG GLU A 25 80.309 9.463 -0.764 1.00 0.00 C ATOM 389 CD GLU A 25 80.803 10.751 -1.424 1.00 0.00 C ATOM 390 OE1 GLU A 25 80.815 10.802 -2.643 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.162 11.665 -0.701 1.00 0.00 O ATOM 0 H GLU A 25 81.849 7.269 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 25 79.719 7.001 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.263 8.681 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.692 8.744 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.542 9.692 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.128 8.977 -0.233 1.00 0.00 H new ATOM 398 N VAL A 26 78.987 6.229 -3.436 1.00 0.00 N ATOM 399 CA VAL A 26 78.065 5.398 -4.256 1.00 0.00 C ATOM 400 C VAL A 26 78.108 3.953 -3.762 1.00 0.00 C ATOM 401 O VAL A 26 77.121 3.245 -3.802 1.00 0.00 O ATOM 402 CB VAL A 26 78.506 5.447 -5.719 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.582 4.569 -6.564 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.440 6.890 -6.222 1.00 0.00 C ATOM 0 H VAL A 26 79.638 6.805 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 26 77.049 5.783 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 26 79.529 5.079 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.898 4.606 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.630 3.541 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.558 4.934 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.754 6.926 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.418 7.258 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.101 7.515 -5.622 1.00 0.00 H new ATOM 414 N GLN A 27 79.242 3.505 -3.298 1.00 0.00 N ATOM 415 CA GLN A 27 79.334 2.106 -2.806 1.00 0.00 C ATOM 416 C GLN A 27 78.519 1.974 -1.525 1.00 0.00 C ATOM 417 O GLN A 27 77.730 1.066 -1.374 1.00 0.00 O ATOM 418 CB GLN A 27 80.796 1.749 -2.528 1.00 0.00 C ATOM 419 CG GLN A 27 81.523 1.504 -3.851 1.00 0.00 C ATOM 420 CD GLN A 27 82.853 0.800 -3.580 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.900 1.281 -3.967 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.857 -0.329 -2.925 1.00 0.00 N ATOM 0 H GLN A 27 80.104 4.046 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 27 78.942 1.426 -3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.280 2.557 -1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.851 0.859 -1.901 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.905 0.895 -4.510 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.698 2.450 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 27 81.979 -0.733 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.738 -0.807 -2.738 1.00 0.00 H new ATOM 431 N VAL A 28 78.688 2.881 -0.607 1.00 0.00 N ATOM 432 CA VAL A 28 77.900 2.803 0.648 1.00 0.00 C ATOM 433 C VAL A 28 76.440 2.566 0.272 1.00 0.00 C ATOM 434 O VAL A 28 75.712 1.882 0.961 1.00 0.00 O ATOM 435 CB VAL A 28 78.037 4.121 1.416 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.992 4.185 2.530 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.438 4.206 2.027 1.00 0.00 C ATOM 0 H VAL A 28 79.334 3.668 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 28 78.260 1.992 1.280 1.00 0.00 H new ATOM 0 HB VAL A 28 77.882 4.955 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.095 5.125 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.994 4.124 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.141 3.352 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.540 5.143 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.589 3.369 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.184 4.167 1.233 1.00 0.00 H new ATOM 447 N ALA A 29 76.009 3.109 -0.834 1.00 0.00 N ATOM 448 CA ALA A 29 74.604 2.889 -1.260 1.00 0.00 C ATOM 449 C ALA A 29 74.448 1.427 -1.665 1.00 0.00 C ATOM 450 O ALA A 29 73.498 0.767 -1.294 1.00 0.00 O ATOM 451 CB ALA A 29 74.273 3.793 -2.448 1.00 0.00 C ATOM 0 H ALA A 29 76.568 3.692 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 29 73.924 3.126 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.241 3.626 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.402 4.836 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.941 3.562 -3.278 1.00 0.00 H new ATOM 457 N LEU A 30 75.383 0.907 -2.414 1.00 0.00 N ATOM 458 CA LEU A 30 75.289 -0.514 -2.821 1.00 0.00 C ATOM 459 C LEU A 30 75.513 -1.394 -1.586 1.00 0.00 C ATOM 460 O LEU A 30 75.314 -2.592 -1.619 1.00 0.00 O ATOM 461 CB LEU A 30 76.343 -0.807 -3.903 1.00 0.00 C ATOM 462 CG LEU A 30 77.665 -1.258 -3.269 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.675 -2.782 -3.140 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.831 -0.815 -4.154 1.00 0.00 C ATOM 0 H LEU A 30 76.203 1.407 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 30 74.304 -0.729 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.974 -1.581 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.510 0.086 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 30 77.766 -0.809 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.614 -3.103 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.844 -3.099 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.574 -3.231 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.771 -1.135 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.729 -1.265 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.825 0.271 -4.248 1.00 0.00 H new ATOM 476 N LEU A 31 75.927 -0.801 -0.496 1.00 0.00 N ATOM 477 CA LEU A 31 76.167 -1.588 0.738 1.00 0.00 C ATOM 478 C LEU A 31 74.808 -1.998 1.314 1.00 0.00 C ATOM 479 O LEU A 31 74.662 -3.036 1.928 1.00 0.00 O ATOM 480 CB LEU A 31 76.945 -0.722 1.749 1.00 0.00 C ATOM 481 CG LEU A 31 75.976 -0.004 2.688 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.581 -0.948 3.826 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.641 1.242 3.273 1.00 0.00 C ATOM 0 H LEU A 31 76.108 0.199 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 31 76.756 -2.480 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.625 -1.348 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.556 0.008 1.218 1.00 0.00 H new ATOM 0 HG LEU A 31 75.089 0.293 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.890 -0.439 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.099 -1.834 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.472 -1.244 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.943 1.747 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.531 0.951 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.923 1.917 2.465 1.00 0.00 H new ATOM 495 N THR A 32 73.819 -1.170 1.120 1.00 0.00 N ATOM 496 CA THR A 32 72.464 -1.467 1.650 1.00 0.00 C ATOM 497 C THR A 32 71.777 -2.504 0.750 1.00 0.00 C ATOM 498 O THR A 32 71.108 -3.400 1.221 1.00 0.00 O ATOM 499 CB THR A 32 71.667 -0.143 1.707 1.00 0.00 C ATOM 500 OG1 THR A 32 71.247 0.090 3.044 1.00 0.00 O ATOM 501 CG2 THR A 32 70.436 -0.186 0.794 1.00 0.00 C ATOM 0 H THR A 32 73.896 -0.290 0.610 1.00 0.00 H new ATOM 0 HA THR A 32 72.520 -1.889 2.654 1.00 0.00 H new ATOM 0 HB THR A 32 72.318 0.661 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.743 0.929 3.087 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.901 0.761 0.860 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.752 -0.353 -0.236 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.779 -0.997 1.108 1.00 0.00 H new ATOM 509 N LEU A 33 71.935 -2.383 -0.540 1.00 0.00 N ATOM 510 CA LEU A 33 71.287 -3.358 -1.463 1.00 0.00 C ATOM 511 C LEU A 33 71.706 -4.781 -1.089 1.00 0.00 C ATOM 512 O LEU A 33 70.901 -5.579 -0.656 1.00 0.00 O ATOM 513 CB LEU A 33 71.716 -3.061 -2.902 1.00 0.00 C ATOM 514 CG LEU A 33 70.973 -3.995 -3.858 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.623 -3.377 -4.229 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.806 -4.193 -5.126 1.00 0.00 C ATOM 0 H LEU A 33 72.484 -1.653 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 33 70.204 -3.268 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.500 -2.022 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.792 -3.196 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 33 70.812 -4.958 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.093 -4.043 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.028 -3.233 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.785 -2.414 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.277 -4.859 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.966 -3.230 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.769 -4.632 -4.864 1.00 0.00 H new ATOM 528 N ARG A 34 72.959 -5.106 -1.256 1.00 0.00 N ATOM 529 CA ARG A 34 73.425 -6.479 -0.912 1.00 0.00 C ATOM 530 C ARG A 34 72.922 -6.863 0.482 1.00 0.00 C ATOM 531 O ARG A 34 72.829 -8.026 0.817 1.00 0.00 O ATOM 532 CB ARG A 34 74.955 -6.517 -0.928 1.00 0.00 C ATOM 533 CG ARG A 34 75.427 -7.826 -1.565 1.00 0.00 C ATOM 534 CD ARG A 34 75.477 -7.666 -3.086 1.00 0.00 C ATOM 535 NE ARG A 34 76.870 -7.893 -3.564 1.00 0.00 N ATOM 536 CZ ARG A 34 77.172 -7.681 -4.815 1.00 0.00 C ATOM 537 NH1 ARG A 34 76.706 -8.471 -5.743 1.00 0.00 N ATOM 538 NH2 ARG A 34 77.942 -6.678 -5.139 1.00 0.00 N ATOM 0 H ARG A 34 73.680 -4.480 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 34 73.033 -7.185 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.345 -5.667 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.342 -6.434 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.413 -8.093 -1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.751 -8.638 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.799 -8.376 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 34 75.142 -6.668 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 34 77.587 -8.214 -2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 34 76.105 -9.255 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 34 76.943 -8.304 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 34 78.307 -6.060 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 34 78.178 -6.512 -6.117 1.00 0.00 H new ATOM 552 N ILE A 35 72.599 -5.897 1.296 1.00 0.00 N ATOM 553 CA ILE A 35 72.107 -6.197 2.659 1.00 0.00 C ATOM 554 C ILE A 35 70.688 -6.768 2.567 1.00 0.00 C ATOM 555 O ILE A 35 70.400 -7.840 3.063 1.00 0.00 O ATOM 556 CB ILE A 35 72.126 -4.884 3.465 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.211 -4.962 4.536 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.775 -4.618 4.129 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.198 -3.814 4.328 1.00 0.00 C ATOM 0 H ILE A 35 72.657 -4.905 1.068 1.00 0.00 H new ATOM 0 HA ILE A 35 72.736 -6.936 3.155 1.00 0.00 H new ATOM 0 HB ILE A 35 72.334 -4.065 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.765 -4.900 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.729 -5.919 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.823 -3.684 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 35 70.002 -4.543 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.536 -5.437 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.977 -3.862 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.650 -3.898 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.672 -2.863 4.407 1.00 0.00 H new ATOM 571 N ASN A 36 69.801 -6.040 1.951 1.00 0.00 N ATOM 572 CA ASN A 36 68.392 -6.508 1.831 1.00 0.00 C ATOM 573 C ASN A 36 68.334 -7.830 1.060 1.00 0.00 C ATOM 574 O ASN A 36 67.572 -8.716 1.396 1.00 0.00 O ATOM 575 CB ASN A 36 67.569 -5.453 1.089 1.00 0.00 C ATOM 576 CG ASN A 36 67.367 -4.234 1.992 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.534 -4.250 2.876 1.00 0.00 O ATOM 578 ND2 ASN A 36 68.101 -3.172 1.806 1.00 0.00 N ATOM 0 H ASN A 36 69.992 -5.134 1.522 1.00 0.00 H new ATOM 0 HA ASN A 36 67.985 -6.663 2.830 1.00 0.00 H new ATOM 0 HB2 ASN A 36 68.078 -5.159 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.604 -5.868 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.976 -2.354 2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 36 68.800 -3.159 1.064 1.00 0.00 H new ATOM 585 N ARG A 37 69.119 -7.975 0.026 1.00 0.00 N ATOM 586 CA ARG A 37 69.082 -9.241 -0.755 1.00 0.00 C ATOM 587 C ARG A 37 69.965 -10.294 -0.097 1.00 0.00 C ATOM 588 O ARG A 37 70.219 -11.349 -0.644 1.00 0.00 O ATOM 589 CB ARG A 37 69.564 -8.981 -2.181 1.00 0.00 C ATOM 590 CG ARG A 37 68.359 -8.782 -3.102 1.00 0.00 C ATOM 591 CD ARG A 37 68.424 -9.787 -4.253 1.00 0.00 C ATOM 592 NE ARG A 37 68.004 -11.130 -3.763 1.00 0.00 N ATOM 593 CZ ARG A 37 67.031 -11.766 -4.356 1.00 0.00 C ATOM 594 NH1 ARG A 37 67.014 -11.866 -5.656 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.074 -12.302 -3.647 1.00 0.00 N ATOM 0 H ARG A 37 69.780 -7.274 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 37 68.056 -9.609 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 37 70.202 -8.098 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.167 -9.819 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 37 67.434 -8.915 -2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 37 68.351 -7.765 -3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.775 -9.466 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.437 -9.834 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 37 68.477 -11.552 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 37 67.761 -11.447 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.253 -12.363 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.087 -12.223 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 37 65.313 -12.799 -4.110 1.00 0.00 H new ATOM 609 N LEU A 38 70.417 -10.014 1.078 1.00 0.00 N ATOM 610 CA LEU A 38 71.271 -10.979 1.812 1.00 0.00 C ATOM 611 C LEU A 38 70.383 -11.870 2.679 1.00 0.00 C ATOM 612 O LEU A 38 70.610 -13.056 2.814 1.00 0.00 O ATOM 613 CB LEU A 38 72.261 -10.222 2.700 1.00 0.00 C ATOM 614 CG LEU A 38 73.676 -10.748 2.453 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.713 -12.255 2.711 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.076 -10.471 1.002 1.00 0.00 C ATOM 0 H LEU A 38 70.231 -9.143 1.575 1.00 0.00 H new ATOM 0 HA LEU A 38 71.826 -11.591 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.216 -9.154 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.993 -10.347 3.749 1.00 0.00 H new ATOM 0 HG LEU A 38 74.372 -10.247 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.721 -12.630 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.427 -12.454 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.017 -12.756 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.084 -10.845 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.379 -10.973 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 38 74.050 -9.397 0.816 1.00 0.00 H new ATOM 628 N SER A 39 69.374 -11.296 3.274 1.00 0.00 N ATOM 629 CA SER A 39 68.460 -12.089 4.143 1.00 0.00 C ATOM 630 C SER A 39 67.572 -12.986 3.276 1.00 0.00 C ATOM 631 O SER A 39 67.051 -13.984 3.733 1.00 0.00 O ATOM 632 CB SER A 39 67.585 -11.133 4.953 1.00 0.00 C ATOM 633 OG SER A 39 66.672 -11.886 5.741 1.00 0.00 O ATOM 0 H SER A 39 69.142 -10.306 3.195 1.00 0.00 H new ATOM 0 HA SER A 39 69.047 -12.712 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 39 68.206 -10.507 5.594 1.00 0.00 H new ATOM 0 HB3 SER A 39 67.042 -10.465 4.285 1.00 0.00 H new ATOM 0 HG SER A 39 66.110 -11.276 6.263 1.00 0.00 H new ATOM 639 N GLU A 40 67.393 -12.639 2.030 1.00 0.00 N ATOM 640 CA GLU A 40 66.538 -13.470 1.143 1.00 0.00 C ATOM 641 C GLU A 40 67.394 -14.505 0.429 1.00 0.00 C ATOM 642 O GLU A 40 67.029 -15.040 -0.599 1.00 0.00 O ATOM 643 CB GLU A 40 65.861 -12.578 0.112 1.00 0.00 C ATOM 644 CG GLU A 40 64.350 -12.570 0.349 1.00 0.00 C ATOM 645 CD GLU A 40 64.066 -12.279 1.824 1.00 0.00 C ATOM 646 OE1 GLU A 40 64.755 -11.444 2.386 1.00 0.00 O ATOM 647 OE2 GLU A 40 63.164 -12.897 2.367 1.00 0.00 O ATOM 0 H GLU A 40 67.803 -11.815 1.590 1.00 0.00 H new ATOM 0 HA GLU A 40 65.782 -13.977 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.255 -11.564 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.079 -12.938 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.877 -11.815 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.922 -13.532 0.068 1.00 0.00 H new ATOM 654 N HIS A 41 68.528 -14.782 0.975 1.00 0.00 N ATOM 655 CA HIS A 41 69.443 -15.777 0.360 1.00 0.00 C ATOM 656 C HIS A 41 69.119 -17.172 0.896 1.00 0.00 C ATOM 657 O HIS A 41 68.506 -17.979 0.229 1.00 0.00 O ATOM 658 CB HIS A 41 70.890 -15.421 0.703 1.00 0.00 C ATOM 659 CG HIS A 41 71.664 -15.189 -0.565 1.00 0.00 C ATOM 660 ND1 HIS A 41 72.875 -15.666 -1.003 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 71.197 -14.362 -1.575 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 73.157 -15.146 -2.262 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 72.114 -14.367 -2.560 1.00 0.00 N flip ATOM 0 H HIS A 41 68.872 -14.358 1.836 1.00 0.00 H new ATOM 0 HA HIS A 41 69.314 -15.767 -0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.918 -14.528 1.327 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.347 -16.226 1.278 1.00 0.00 H new ATOM 0 HD1 HIS A 41 73.477 -16.305 -0.484 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.267 -13.814 -1.572 1.00 0.00 H new ATOM 0 HE1 HIS A 41 74.031 -15.332 -2.868 1.00 0.00 H new ATOM 671 N LEU A 42 69.534 -17.458 2.097 1.00 0.00 N ATOM 672 CA LEU A 42 69.266 -18.795 2.690 1.00 0.00 C ATOM 673 C LEU A 42 67.769 -18.945 2.980 1.00 0.00 C ATOM 674 O LEU A 42 67.310 -19.993 3.387 1.00 0.00 O ATOM 675 CB LEU A 42 70.046 -18.925 3.994 1.00 0.00 C ATOM 676 CG LEU A 42 71.507 -19.257 3.686 1.00 0.00 C ATOM 677 CD1 LEU A 42 72.421 -18.279 4.427 1.00 0.00 C ATOM 678 CD2 LEU A 42 71.811 -20.685 4.145 1.00 0.00 C ATOM 0 H LEU A 42 70.052 -16.817 2.698 1.00 0.00 H new ATOM 0 HA LEU A 42 69.575 -19.571 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 69.985 -17.996 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 42 69.608 -19.706 4.615 1.00 0.00 H new ATOM 0 HG LEU A 42 71.680 -19.173 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.462 -18.516 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 42 72.204 -17.261 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.249 -18.362 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.852 -20.924 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 42 71.638 -20.767 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.160 -21.383 3.618 1.00 0.00 H new ATOM 690 N LYS A 43 67.003 -17.904 2.777 1.00 0.00 N ATOM 691 CA LYS A 43 65.539 -17.989 3.044 1.00 0.00 C ATOM 692 C LYS A 43 64.820 -18.599 1.843 1.00 0.00 C ATOM 693 O LYS A 43 63.617 -18.502 1.697 1.00 0.00 O ATOM 694 CB LYS A 43 64.988 -16.593 3.308 1.00 0.00 C ATOM 695 CG LYS A 43 64.600 -16.463 4.783 1.00 0.00 C ATOM 696 CD LYS A 43 63.092 -16.237 4.896 1.00 0.00 C ATOM 697 CE LYS A 43 62.482 -17.299 5.813 1.00 0.00 C ATOM 698 NZ LYS A 43 62.186 -18.527 5.023 1.00 0.00 N ATOM 0 H LYS A 43 67.330 -16.999 2.438 1.00 0.00 H new ATOM 0 HA LYS A 43 65.374 -18.621 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.735 -15.842 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 43 64.119 -16.409 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 43 64.885 -17.364 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 43 65.138 -15.632 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 43 62.892 -15.241 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 43 62.632 -16.286 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 43 63.171 -17.533 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.568 -16.919 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 61.771 -19.249 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.514 -18.298 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 63.066 -18.893 4.607 1.00 0.00 H new ATOM 712 N VAL A 44 65.559 -19.230 0.997 1.00 0.00 N ATOM 713 CA VAL A 44 64.983 -19.876 -0.207 1.00 0.00 C ATOM 714 C VAL A 44 65.974 -20.932 -0.696 1.00 0.00 C ATOM 715 O VAL A 44 65.605 -22.019 -1.094 1.00 0.00 O ATOM 716 CB VAL A 44 64.769 -18.821 -1.292 1.00 0.00 C ATOM 717 CG1 VAL A 44 64.561 -19.505 -2.646 1.00 0.00 C ATOM 718 CG2 VAL A 44 63.535 -17.982 -0.952 1.00 0.00 C ATOM 0 H VAL A 44 66.570 -19.331 1.087 1.00 0.00 H new ATOM 0 HA VAL A 44 64.025 -20.341 0.026 1.00 0.00 H new ATOM 0 HB VAL A 44 65.647 -18.177 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 44 64.409 -18.749 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.440 -20.101 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 44 63.686 -20.153 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 44 63.382 -17.230 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 44 62.659 -18.629 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.683 -17.489 0.009 1.00 0.00 H new ATOM 728 N HIS A 45 67.239 -20.612 -0.652 1.00 0.00 N ATOM 729 CA HIS A 45 68.282 -21.574 -1.091 1.00 0.00 C ATOM 730 C HIS A 45 68.134 -22.885 -0.314 1.00 0.00 C ATOM 731 O HIS A 45 67.214 -23.058 0.461 1.00 0.00 O ATOM 732 CB HIS A 45 69.660 -20.967 -0.811 1.00 0.00 C ATOM 733 CG HIS A 45 70.123 -20.197 -2.016 1.00 0.00 C ATOM 734 ND1 HIS A 45 69.284 -19.344 -2.715 1.00 0.00 N ATOM 735 CD2 HIS A 45 71.335 -20.139 -2.656 1.00 0.00 C ATOM 736 CE1 HIS A 45 69.996 -18.815 -3.727 1.00 0.00 C ATOM 737 NE2 HIS A 45 71.253 -19.265 -3.737 1.00 0.00 N ATOM 0 H HIS A 45 67.595 -19.713 -0.326 1.00 0.00 H new ATOM 0 HA HIS A 45 68.173 -21.777 -2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.610 -20.309 0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.375 -21.755 -0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 45 72.219 -20.688 -2.366 1.00 0.00 H new ATOM 0 HE1 HIS A 45 69.599 -18.112 -4.444 1.00 0.00 H new ATOM 0 HE2 HIS A 45 71.994 -19.021 -4.395 1.00 0.00 H new ATOM 745 N LYS A 46 69.034 -23.808 -0.512 1.00 0.00 N ATOM 746 CA LYS A 46 68.950 -25.100 0.212 1.00 0.00 C ATOM 747 C LYS A 46 70.057 -25.168 1.265 1.00 0.00 C ATOM 748 O LYS A 46 70.629 -26.211 1.513 1.00 0.00 O ATOM 749 CB LYS A 46 69.114 -26.254 -0.777 1.00 0.00 C ATOM 750 CG LYS A 46 70.176 -25.891 -1.817 1.00 0.00 C ATOM 751 CD LYS A 46 70.695 -27.167 -2.484 1.00 0.00 C ATOM 752 CE LYS A 46 71.390 -28.043 -1.442 1.00 0.00 C ATOM 753 NZ LYS A 46 70.836 -29.425 -1.505 1.00 0.00 N ATOM 0 H LYS A 46 69.827 -23.719 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 46 67.979 -25.178 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 46 69.404 -27.162 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 46 68.164 -26.462 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.753 -25.223 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.998 -25.356 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 46 69.869 -27.713 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.391 -26.914 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.464 -28.062 -1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.244 -27.626 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.309 -30.021 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 69.815 -29.399 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.997 -29.821 -2.453 1.00 0.00 H new ATOM 767 N LYS A 47 70.362 -24.062 1.884 1.00 0.00 N ATOM 768 CA LYS A 47 71.431 -24.054 2.922 1.00 0.00 C ATOM 769 C LYS A 47 72.796 -24.241 2.252 1.00 0.00 C ATOM 770 O LYS A 47 73.809 -24.359 2.913 1.00 0.00 O ATOM 771 CB LYS A 47 71.189 -25.192 3.914 1.00 0.00 C ATOM 772 CG LYS A 47 69.718 -25.201 4.332 1.00 0.00 C ATOM 773 CD LYS A 47 69.388 -23.900 5.066 1.00 0.00 C ATOM 774 CE LYS A 47 68.161 -24.111 5.954 1.00 0.00 C ATOM 775 NZ LYS A 47 68.045 -22.980 6.917 1.00 0.00 N ATOM 0 H LYS A 47 69.916 -23.160 1.715 1.00 0.00 H new ATOM 0 HA LYS A 47 71.414 -23.102 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 47 71.455 -26.147 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 47 71.826 -25.067 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 47 69.080 -25.308 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 47 69.518 -26.056 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.238 -23.586 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 47 69.197 -23.103 4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 47 67.262 -24.175 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 47 68.247 -25.054 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 67.211 -23.123 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 68.899 -22.940 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 67.944 -22.087 6.393 1.00 0.00 H new ATOM 789 N ASP A 48 72.831 -24.269 0.948 1.00 0.00 N ATOM 790 CA ASP A 48 74.129 -24.448 0.241 1.00 0.00 C ATOM 791 C ASP A 48 75.084 -23.316 0.629 1.00 0.00 C ATOM 792 O ASP A 48 76.279 -23.406 0.434 1.00 0.00 O ATOM 793 CB ASP A 48 73.895 -24.421 -1.270 1.00 0.00 C ATOM 794 CG ASP A 48 74.804 -25.448 -1.947 1.00 0.00 C ATOM 795 OD1 ASP A 48 75.982 -25.163 -2.091 1.00 0.00 O ATOM 796 OD2 ASP A 48 74.309 -26.502 -2.309 1.00 0.00 O ATOM 0 H ASP A 48 72.016 -24.176 0.342 1.00 0.00 H new ATOM 0 HA ASP A 48 74.567 -25.405 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 48 72.851 -24.643 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 48 74.099 -23.425 -1.662 1.00 0.00 H new ATOM 801 N HIS A 49 74.565 -22.251 1.175 1.00 0.00 N ATOM 802 CA HIS A 49 75.443 -21.114 1.572 1.00 0.00 C ATOM 803 C HIS A 49 76.125 -20.542 0.329 1.00 0.00 C ATOM 804 O HIS A 49 77.034 -21.133 -0.220 1.00 0.00 O ATOM 805 CB HIS A 49 76.504 -21.609 2.557 1.00 0.00 C ATOM 806 CG HIS A 49 76.306 -20.936 3.887 1.00 0.00 C ATOM 807 ND1 HIS A 49 75.187 -20.429 4.502 1.00 0.00 N flip ATOM 808 CD2 HIS A 49 77.354 -20.715 4.767 1.00 0.00 C flip ATOM 809 CE1 HIS A 49 75.533 -19.902 5.743 1.00 0.00 C flip ATOM 810 NE2 HIS A 49 76.849 -20.101 5.853 1.00 0.00 N flip ATOM 0 H HIS A 49 73.571 -22.119 1.363 1.00 0.00 H new ATOM 0 HA HIS A 49 74.843 -20.338 2.047 1.00 0.00 H new ATOM 0 HB2 HIS A 49 76.434 -22.691 2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 49 77.501 -21.393 2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 49 78.388 -20.986 4.610 1.00 0.00 H new ATOM 0 HE1 HIS A 49 74.878 -19.433 6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 49 77.404 -19.822 6.662 1.00 0.00 H new ATOM 818 N HIS A 50 75.695 -19.395 -0.120 1.00 0.00 N ATOM 819 CA HIS A 50 76.318 -18.785 -1.329 1.00 0.00 C ATOM 820 C HIS A 50 76.834 -17.397 -0.985 1.00 0.00 C ATOM 821 O HIS A 50 76.995 -16.542 -1.833 1.00 0.00 O ATOM 822 CB HIS A 50 75.277 -18.673 -2.432 1.00 0.00 C ATOM 823 CG HIS A 50 75.693 -19.514 -3.609 1.00 0.00 C ATOM 824 ND1 HIS A 50 75.408 -19.148 -4.916 1.00 0.00 N ATOM 825 CD2 HIS A 50 76.373 -20.703 -3.692 1.00 0.00 C ATOM 826 CE1 HIS A 50 75.910 -20.102 -5.721 1.00 0.00 C ATOM 827 NE2 HIS A 50 76.509 -21.072 -5.027 1.00 0.00 N ATOM 0 H HIS A 50 74.939 -18.853 0.298 1.00 0.00 H new ATOM 0 HA HIS A 50 77.144 -19.410 -1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 50 74.305 -19.002 -2.063 1.00 0.00 H new ATOM 0 HB3 HIS A 50 75.167 -17.632 -2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 50 76.746 -21.267 -2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 50 75.837 -20.085 -6.798 1.00 0.00 H new ATOM 0 HE2 HIS A 50 76.968 -21.905 -5.396 1.00 0.00 H new ATOM 835 N SER A 51 77.089 -17.179 0.259 1.00 0.00 N ATOM 836 CA SER A 51 77.598 -15.855 0.706 1.00 0.00 C ATOM 837 C SER A 51 77.903 -15.902 2.205 1.00 0.00 C ATOM 838 O SER A 51 77.558 -16.846 2.889 1.00 0.00 O ATOM 839 CB SER A 51 76.542 -14.784 0.434 1.00 0.00 C ATOM 840 OG SER A 51 75.261 -15.395 0.359 1.00 0.00 O ATOM 0 H SER A 51 76.968 -17.866 1.003 1.00 0.00 H new ATOM 0 HA SER A 51 78.509 -15.614 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 51 76.555 -14.035 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 51 76.765 -14.265 -0.498 1.00 0.00 H new ATOM 0 HG SER A 51 74.683 -14.872 -0.235 1.00 0.00 H new ATOM 846 N HIS A 52 78.547 -14.891 2.720 1.00 0.00 N ATOM 847 CA HIS A 52 78.876 -14.876 4.172 1.00 0.00 C ATOM 848 C HIS A 52 79.788 -13.686 4.474 1.00 0.00 C ATOM 849 O HIS A 52 79.743 -13.111 5.543 1.00 0.00 O ATOM 850 CB HIS A 52 79.589 -16.178 4.547 1.00 0.00 C ATOM 851 CG HIS A 52 80.170 -16.055 5.930 1.00 0.00 C ATOM 852 ND1 HIS A 52 79.374 -15.969 7.061 1.00 0.00 N ATOM 853 CD2 HIS A 52 81.466 -16.003 6.378 1.00 0.00 C ATOM 854 CE1 HIS A 52 80.191 -15.870 8.125 1.00 0.00 C ATOM 855 NE2 HIS A 52 81.478 -15.886 7.766 1.00 0.00 N ATOM 0 H HIS A 52 78.860 -14.073 2.196 1.00 0.00 H new ATOM 0 HA HIS A 52 77.958 -14.786 4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 52 78.888 -17.012 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 52 80.379 -16.392 3.827 1.00 0.00 H new ATOM 0 HD2 HIS A 52 82.343 -16.046 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 52 79.848 -15.788 9.146 1.00 0.00 H new ATOM 0 HE2 HIS A 52 82.293 -15.826 8.376 1.00 0.00 H new ATOM 863 N ARG A 53 80.617 -13.314 3.539 1.00 0.00 N ATOM 864 CA ARG A 53 81.533 -12.165 3.768 1.00 0.00 C ATOM 865 C ARG A 53 80.711 -10.890 3.977 1.00 0.00 C ATOM 866 O ARG A 53 81.075 -10.025 4.749 1.00 0.00 O ATOM 867 CB ARG A 53 82.446 -11.990 2.553 1.00 0.00 C ATOM 868 CG ARG A 53 83.575 -11.015 2.897 1.00 0.00 C ATOM 869 CD ARG A 53 84.735 -11.212 1.920 1.00 0.00 C ATOM 870 NE ARG A 53 85.996 -10.716 2.541 1.00 0.00 N ATOM 871 CZ ARG A 53 86.989 -10.336 1.785 1.00 0.00 C ATOM 872 NH1 ARG A 53 87.269 -10.995 0.694 1.00 0.00 N ATOM 873 NH2 ARG A 53 87.705 -9.297 2.121 1.00 0.00 N ATOM 0 H ARG A 53 80.699 -13.758 2.624 1.00 0.00 H new ATOM 0 HA ARG A 53 82.139 -12.355 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 53 82.861 -12.953 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 53 81.873 -11.614 1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 53 83.212 -9.989 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 53 83.914 -11.181 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 53 84.834 -12.267 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 53 84.538 -10.675 0.992 1.00 0.00 H new ATOM 0 HE ARG A 53 86.082 -10.674 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 53 86.711 -11.808 0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 53 88.046 -10.697 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.488 -8.783 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 53 88.481 -9.000 1.530 1.00 0.00 H new ATOM 887 N GLY A 54 79.606 -10.768 3.293 1.00 0.00 N ATOM 888 CA GLY A 54 78.762 -9.549 3.452 1.00 0.00 C ATOM 889 C GLY A 54 77.611 -9.842 4.415 1.00 0.00 C ATOM 890 O GLY A 54 76.616 -9.146 4.438 1.00 0.00 O ATOM 0 H GLY A 54 79.251 -11.459 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 54 79.365 -8.724 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 54 78.369 -9.238 2.484 1.00 0.00 H new ATOM 894 N LEU A 55 77.737 -10.868 5.212 1.00 0.00 N ATOM 895 CA LEU A 55 76.649 -11.204 6.172 1.00 0.00 C ATOM 896 C LEU A 55 76.366 -9.997 7.066 1.00 0.00 C ATOM 897 O LEU A 55 76.726 -8.880 6.753 1.00 0.00 O ATOM 898 CB LEU A 55 77.081 -12.390 7.039 1.00 0.00 C ATOM 899 CG LEU A 55 76.112 -13.554 6.830 1.00 0.00 C ATOM 900 CD1 LEU A 55 74.767 -13.222 7.479 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.909 -13.785 5.331 1.00 0.00 C ATOM 0 H LEU A 55 78.547 -11.488 5.239 1.00 0.00 H new ATOM 0 HA LEU A 55 75.747 -11.467 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 55 78.094 -12.695 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 77.096 -12.100 8.090 1.00 0.00 H new ATOM 0 HG LEU A 55 76.523 -14.455 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 55 74.076 -14.052 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 55 74.909 -13.056 8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 55 74.356 -12.321 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 55 75.218 -14.615 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.498 -12.884 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.866 -14.021 4.866 1.00 0.00 H new ATOM 913 N LEU A 56 75.724 -10.213 8.180 1.00 0.00 N ATOM 914 CA LEU A 56 75.416 -9.082 9.097 1.00 0.00 C ATOM 915 C LEU A 56 76.652 -8.197 9.251 1.00 0.00 C ATOM 916 O LEU A 56 76.554 -7.010 9.495 1.00 0.00 O ATOM 917 CB LEU A 56 75.012 -9.639 10.460 1.00 0.00 C ATOM 918 CG LEU A 56 73.497 -9.844 10.501 1.00 0.00 C ATOM 919 CD1 LEU A 56 73.113 -10.560 11.797 1.00 0.00 C ATOM 920 CD2 LEU A 56 72.798 -8.483 10.445 1.00 0.00 C ATOM 0 H LEU A 56 75.399 -11.127 8.495 1.00 0.00 H new ATOM 0 HA LEU A 56 74.599 -8.489 8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 75.522 -10.585 10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 56 75.318 -8.953 11.250 1.00 0.00 H new ATOM 0 HG LEU A 56 73.189 -10.448 9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 56 72.033 -10.706 11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 56 73.611 -11.529 11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 56 73.421 -9.956 12.651 1.00 0.00 H new ATOM 0 HD21 LEU A 56 71.718 -8.627 10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 56 73.107 -7.880 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 56 73.071 -7.971 9.522 1.00 0.00 H new ATOM 932 N MET A 57 77.811 -8.767 9.112 1.00 0.00 N ATOM 933 CA MET A 57 79.061 -7.967 9.248 1.00 0.00 C ATOM 934 C MET A 57 78.906 -6.642 8.497 1.00 0.00 C ATOM 935 O MET A 57 79.123 -5.578 9.042 1.00 0.00 O ATOM 936 CB MET A 57 80.236 -8.750 8.659 1.00 0.00 C ATOM 937 CG MET A 57 80.775 -9.726 9.707 1.00 0.00 C ATOM 938 SD MET A 57 82.133 -10.687 8.993 1.00 0.00 S ATOM 939 CE MET A 57 83.242 -9.296 8.656 1.00 0.00 C ATOM 0 H MET A 57 77.951 -9.757 8.909 1.00 0.00 H new ATOM 0 HA MET A 57 79.249 -7.767 10.303 1.00 0.00 H new ATOM 0 HB2 MET A 57 79.915 -9.294 7.771 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.023 -8.064 8.346 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.123 -9.180 10.583 1.00 0.00 H new ATOM 0 HG3 MET A 57 79.980 -10.392 10.042 1.00 0.00 H new ATOM 0 HE1 MET A 57 84.276 -9.639 8.687 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.025 -8.888 7.669 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.094 -8.522 9.409 1.00 0.00 H new ATOM 949 N MET A 58 78.530 -6.699 7.248 1.00 0.00 N ATOM 950 CA MET A 58 78.361 -5.445 6.462 1.00 0.00 C ATOM 951 C MET A 58 77.428 -4.497 7.217 1.00 0.00 C ATOM 952 O MET A 58 77.662 -3.307 7.292 1.00 0.00 O ATOM 953 CB MET A 58 77.755 -5.778 5.098 1.00 0.00 C ATOM 954 CG MET A 58 78.628 -5.187 3.992 1.00 0.00 C ATOM 955 SD MET A 58 77.583 -4.304 2.806 1.00 0.00 S ATOM 956 CE MET A 58 76.468 -5.675 2.419 1.00 0.00 C ATOM 0 H MET A 58 78.333 -7.560 6.739 1.00 0.00 H new ATOM 0 HA MET A 58 79.331 -4.967 6.322 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.678 -6.859 4.977 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.744 -5.377 5.030 1.00 0.00 H new ATOM 0 HG2 MET A 58 79.365 -4.508 4.420 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.180 -5.980 3.487 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.760 -5.363 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 58 77.047 -6.523 2.055 1.00 0.00 H new ATOM 0 HE3 MET A 58 75.924 -5.966 3.318 1.00 0.00 H new ATOM 966 N VAL A 59 76.369 -5.015 7.775 1.00 0.00 N ATOM 967 CA VAL A 59 75.419 -4.148 8.523 1.00 0.00 C ATOM 968 C VAL A 59 76.144 -3.486 9.696 1.00 0.00 C ATOM 969 O VAL A 59 75.876 -2.352 10.043 1.00 0.00 O ATOM 970 CB VAL A 59 74.263 -4.998 9.053 1.00 0.00 C ATOM 971 CG1 VAL A 59 73.274 -4.105 9.804 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.549 -5.674 7.881 1.00 0.00 C ATOM 0 H VAL A 59 76.121 -6.004 7.745 1.00 0.00 H new ATOM 0 HA VAL A 59 75.030 -3.378 7.857 1.00 0.00 H new ATOM 0 HB VAL A 59 74.653 -5.758 9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.450 -4.711 10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.781 -3.622 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.884 -3.344 9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.725 -6.280 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.160 -4.913 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.252 -6.311 7.345 1.00 0.00 H new ATOM 982 N GLY A 60 77.059 -4.184 10.310 1.00 0.00 N ATOM 983 CA GLY A 60 77.799 -3.594 11.463 1.00 0.00 C ATOM 984 C GLY A 60 78.749 -2.504 10.963 1.00 0.00 C ATOM 985 O GLY A 60 79.188 -1.658 11.716 1.00 0.00 O ATOM 0 H GLY A 60 77.327 -5.137 10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.096 -3.175 12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.362 -4.370 11.982 1.00 0.00 H new ATOM 989 N GLN A 61 79.072 -2.519 9.698 1.00 0.00 N ATOM 990 CA GLN A 61 79.994 -1.488 9.155 1.00 0.00 C ATOM 991 C GLN A 61 79.194 -0.295 8.651 1.00 0.00 C ATOM 992 O GLN A 61 79.658 0.499 7.857 1.00 0.00 O ATOM 993 CB GLN A 61 80.796 -2.078 8.005 1.00 0.00 C ATOM 994 CG GLN A 61 82.271 -2.174 8.400 1.00 0.00 C ATOM 995 CD GLN A 61 82.977 -0.860 8.062 1.00 0.00 C ATOM 996 OE1 GLN A 61 83.334 -0.623 6.925 1.00 0.00 O ATOM 997 NE2 GLN A 61 83.194 0.011 9.009 1.00 0.00 N ATOM 0 H GLN A 61 78.736 -3.202 9.019 1.00 0.00 H new ATOM 0 HA GLN A 61 80.671 -1.162 9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 61 80.413 -3.066 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 61 80.687 -1.456 7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 61 82.360 -2.383 9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 61 82.747 -3.001 7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 61 82.894 -0.188 9.963 1.00 0.00 H new ATOM 0 HE22 GLN A 61 83.663 0.891 8.795 1.00 0.00 H new ATOM 1006 N ARG A 62 77.996 -0.173 9.114 1.00 0.00 N ATOM 1007 CA ARG A 62 77.131 0.961 8.681 1.00 0.00 C ATOM 1008 C ARG A 62 76.463 1.596 9.904 1.00 0.00 C ATOM 1009 O ARG A 62 75.716 2.548 9.789 1.00 0.00 O ATOM 1010 CB ARG A 62 76.054 0.446 7.722 1.00 0.00 C ATOM 1011 CG ARG A 62 75.401 1.629 7.002 1.00 0.00 C ATOM 1012 CD ARG A 62 74.051 1.196 6.426 1.00 0.00 C ATOM 1013 NE ARG A 62 73.326 0.369 7.431 1.00 0.00 N ATOM 1014 CZ ARG A 62 72.329 0.882 8.100 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.239 1.237 7.477 1.00 0.00 N ATOM 1016 NH2 ARG A 62 72.423 1.039 9.393 1.00 0.00 N ATOM 0 H ARG A 62 77.566 -0.813 9.782 1.00 0.00 H new ATOM 0 HA ARG A 62 77.743 1.708 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 62 76.495 -0.236 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 62 75.301 -0.118 8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 62 75.263 2.459 7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 62 76.051 1.986 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 62 73.458 2.072 6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 62 74.200 0.626 5.509 1.00 0.00 H new ATOM 0 HE ARG A 62 73.608 -0.597 7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 62 71.166 1.114 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 62 70.460 1.638 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 62 73.275 0.761 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 62 71.644 1.440 9.916 1.00 0.00 H new ATOM 1030 N ARG A 63 76.722 1.080 11.075 1.00 0.00 N ATOM 1031 CA ARG A 63 76.102 1.658 12.295 1.00 0.00 C ATOM 1032 C ARG A 63 76.695 3.042 12.560 1.00 0.00 C ATOM 1033 O ARG A 63 75.996 4.034 12.586 1.00 0.00 O ATOM 1034 CB ARG A 63 76.379 0.745 13.491 1.00 0.00 C ATOM 1035 CG ARG A 63 75.055 0.227 14.057 1.00 0.00 C ATOM 1036 CD ARG A 63 74.690 -1.092 13.375 1.00 0.00 C ATOM 1037 NE ARG A 63 73.209 -1.263 13.386 1.00 0.00 N ATOM 1038 CZ ARG A 63 72.657 -2.130 14.190 1.00 0.00 C ATOM 1039 NH1 ARG A 63 73.241 -3.277 14.413 1.00 0.00 N ATOM 1040 NH2 ARG A 63 71.524 -1.851 14.773 1.00 0.00 N ATOM 0 H ARG A 63 77.337 0.283 11.237 1.00 0.00 H new ATOM 0 HA ARG A 63 75.025 1.746 12.149 1.00 0.00 H new ATOM 0 HB2 ARG A 63 77.008 -0.091 13.185 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.926 1.291 14.259 1.00 0.00 H new ATOM 0 HG2 ARG A 63 75.140 0.081 15.134 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.266 0.962 13.897 1.00 0.00 H new ATOM 0 HD2 ARG A 63 75.060 -1.098 12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 63 75.167 -1.925 13.891 1.00 0.00 H new ATOM 0 HE ARG A 63 72.627 -0.702 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 63 74.128 -3.495 13.959 1.00 0.00 H new ATOM 0 HH12 ARG A 63 72.810 -3.955 15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 63 71.069 -0.955 14.601 1.00 0.00 H new ATOM 0 HH22 ARG A 63 71.093 -2.529 15.401 1.00 0.00 H new ATOM 1054 N ARG A 64 77.983 3.113 12.757 1.00 0.00 N ATOM 1055 CA ARG A 64 78.624 4.426 13.019 1.00 0.00 C ATOM 1056 C ARG A 64 79.402 4.874 11.780 1.00 0.00 C ATOM 1057 O ARG A 64 79.834 6.004 11.682 1.00 0.00 O ATOM 1058 CB ARG A 64 79.582 4.299 14.206 1.00 0.00 C ATOM 1059 CG ARG A 64 78.888 4.792 15.478 1.00 0.00 C ATOM 1060 CD ARG A 64 79.054 6.308 15.595 1.00 0.00 C ATOM 1061 NE ARG A 64 80.321 6.614 16.318 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.466 6.506 15.702 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.877 7.462 14.915 1.00 0.00 N ATOM 1064 NH2 ARG A 64 82.200 5.440 15.873 1.00 0.00 N ATOM 0 H ARG A 64 78.618 2.315 12.747 1.00 0.00 H new ATOM 0 HA ARG A 64 77.856 5.164 13.250 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.892 3.261 14.327 1.00 0.00 H new ATOM 0 HB3 ARG A 64 80.485 4.882 14.022 1.00 0.00 H new ATOM 0 HG2 ARG A 64 77.830 4.532 15.452 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.315 4.300 16.352 1.00 0.00 H new ATOM 0 HD2 ARG A 64 79.070 6.761 14.604 1.00 0.00 H new ATOM 0 HD3 ARG A 64 78.206 6.738 16.128 1.00 0.00 H new ATOM 0 HE ARG A 64 80.293 6.908 17.294 1.00 0.00 H new ATOM 0 HH11 ARG A 64 81.303 8.294 14.781 1.00 0.00 H new ATOM 0 HH12 ARG A 64 82.772 7.377 14.434 1.00 0.00 H new ATOM 0 HH21 ARG A 64 81.878 4.692 16.488 1.00 0.00 H new ATOM 0 HH22 ARG A 64 83.095 5.355 15.392 1.00 0.00 H new ATOM 1078 N LEU A 65 79.582 3.995 10.830 1.00 0.00 N ATOM 1079 CA LEU A 65 80.327 4.370 9.603 1.00 0.00 C ATOM 1080 C LEU A 65 79.459 4.104 8.376 1.00 0.00 C ATOM 1081 O LEU A 65 79.902 3.507 7.415 1.00 0.00 O ATOM 1082 CB LEU A 65 81.612 3.543 9.498 1.00 0.00 C ATOM 1083 CG LEU A 65 82.394 3.623 10.813 1.00 0.00 C ATOM 1084 CD1 LEU A 65 82.456 5.075 11.290 1.00 0.00 C ATOM 1085 CD2 LEU A 65 81.699 2.767 11.874 1.00 0.00 C ATOM 0 H LEU A 65 79.243 3.033 10.855 1.00 0.00 H new ATOM 0 HA LEU A 65 80.581 5.429 9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 65 81.369 2.505 9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 65 82.226 3.912 8.677 1.00 0.00 H new ATOM 0 HG LEU A 65 83.407 3.253 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.013 5.127 12.225 1.00 0.00 H new ATOM 0 HD12 LEU A 65 82.955 5.685 10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 65 81.445 5.449 11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.256 2.824 12.809 1.00 0.00 H new ATOM 0 HD22 LEU A 65 80.685 3.135 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 65 81.660 1.731 11.538 1.00 0.00 H new ATOM 1097 N LEU A 66 78.227 4.548 8.389 1.00 0.00 N ATOM 1098 CA LEU A 66 77.353 4.322 7.203 1.00 0.00 C ATOM 1099 C LEU A 66 78.160 4.659 5.954 1.00 0.00 C ATOM 1100 O LEU A 66 78.353 3.837 5.079 1.00 0.00 O ATOM 1101 CB LEU A 66 76.124 5.231 7.284 1.00 0.00 C ATOM 1102 CG LEU A 66 75.379 5.200 5.948 1.00 0.00 C ATOM 1103 CD1 LEU A 66 73.912 4.841 6.189 1.00 0.00 C ATOM 1104 CD2 LEU A 66 75.465 6.578 5.287 1.00 0.00 C ATOM 0 H LEU A 66 77.794 5.052 9.163 1.00 0.00 H new ATOM 0 HA LEU A 66 77.018 3.285 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 66 75.466 4.900 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 66 76.427 6.251 7.520 1.00 0.00 H new ATOM 0 HG LEU A 66 75.832 4.453 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 66 73.382 4.819 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 66 73.850 3.861 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 66 73.457 5.587 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 66 74.935 6.559 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 66 75.011 7.324 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 66 76.510 6.834 5.115 1.00 0.00 H new ATOM 1116 N ARG A 67 78.663 5.858 5.884 1.00 0.00 N ATOM 1117 CA ARG A 67 79.490 6.256 4.726 1.00 0.00 C ATOM 1118 C ARG A 67 80.958 6.163 5.137 1.00 0.00 C ATOM 1119 O ARG A 67 81.838 6.000 4.316 1.00 0.00 O ATOM 1120 CB ARG A 67 79.155 7.692 4.320 1.00 0.00 C ATOM 1121 CG ARG A 67 79.787 7.999 2.961 1.00 0.00 C ATOM 1122 CD ARG A 67 78.866 8.925 2.166 1.00 0.00 C ATOM 1123 NE ARG A 67 79.483 10.278 2.074 1.00 0.00 N ATOM 1124 CZ ARG A 67 78.770 11.340 2.331 1.00 0.00 C ATOM 1125 NH1 ARG A 67 78.075 11.409 3.433 1.00 0.00 N ATOM 1126 NH2 ARG A 67 78.751 12.332 1.484 1.00 0.00 N ATOM 0 H ARG A 67 78.532 6.583 6.590 1.00 0.00 H new ATOM 0 HA ARG A 67 79.293 5.600 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 67 78.074 7.824 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 67 79.526 8.389 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.761 8.469 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 67 79.954 7.074 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 67 78.700 8.521 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 67 77.892 8.990 2.650 1.00 0.00 H new ATOM 0 HE ARG A 67 80.464 10.374 1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 67 78.089 10.632 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 67 77.518 12.240 3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 67 79.293 12.277 0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 67 78.194 13.163 1.684 1.00 0.00 H new ATOM 1140 N TYR A 68 81.218 6.270 6.419 1.00 0.00 N ATOM 1141 CA TYR A 68 82.618 6.192 6.935 1.00 0.00 C ATOM 1142 C TYR A 68 83.408 7.437 6.521 1.00 0.00 C ATOM 1143 O TYR A 68 84.564 7.591 6.860 1.00 0.00 O ATOM 1144 CB TYR A 68 83.299 4.943 6.383 1.00 0.00 C ATOM 1145 CG TYR A 68 84.713 4.867 6.907 1.00 0.00 C ATOM 1146 CD1 TYR A 68 84.961 4.358 8.187 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.778 5.307 6.110 1.00 0.00 C ATOM 1148 CE1 TYR A 68 86.271 4.288 8.670 1.00 0.00 C ATOM 1149 CE2 TYR A 68 87.088 5.237 6.594 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.336 4.727 7.874 1.00 0.00 C ATOM 1151 OH TYR A 68 88.629 4.659 8.352 1.00 0.00 O ATOM 0 H TYR A 68 80.508 6.410 7.138 1.00 0.00 H new ATOM 0 HA TYR A 68 82.590 6.140 8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.743 4.053 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.305 4.970 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 68 84.140 4.019 8.802 1.00 0.00 H new ATOM 0 HD2 TYR A 68 85.587 5.700 5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 68 86.462 3.895 9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.909 5.577 5.980 1.00 0.00 H new ATOM 0 HH TYR A 68 89.247 5.003 7.674 1.00 0.00 H new ATOM 1161 N LEU A 69 82.791 8.330 5.801 1.00 0.00 N ATOM 1162 CA LEU A 69 83.496 9.565 5.377 1.00 0.00 C ATOM 1163 C LEU A 69 83.287 10.645 6.436 1.00 0.00 C ATOM 1164 O LEU A 69 84.077 11.557 6.576 1.00 0.00 O ATOM 1165 CB LEU A 69 82.934 10.042 4.036 1.00 0.00 C ATOM 1166 CG LEU A 69 83.555 11.391 3.670 1.00 0.00 C ATOM 1167 CD1 LEU A 69 83.674 11.502 2.151 1.00 0.00 C ATOM 1168 CD2 LEU A 69 82.666 12.520 4.195 1.00 0.00 C ATOM 0 H LEU A 69 81.823 8.255 5.487 1.00 0.00 H new ATOM 0 HA LEU A 69 84.561 9.362 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 83.149 9.309 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.850 10.134 4.097 1.00 0.00 H new ATOM 0 HG LEU A 69 84.545 11.469 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 69 84.117 12.463 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 69 84.307 10.698 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.684 11.424 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 69 83.108 13.482 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 69 81.676 12.442 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 69 82.580 12.442 5.279 1.00 0.00 H new ATOM 1180 N GLN A 70 82.226 10.544 7.188 1.00 0.00 N ATOM 1181 CA GLN A 70 81.963 11.558 8.243 1.00 0.00 C ATOM 1182 C GLN A 70 83.229 11.745 9.081 1.00 0.00 C ATOM 1183 O GLN A 70 83.495 12.808 9.605 1.00 0.00 O ATOM 1184 CB GLN A 70 80.822 11.070 9.141 1.00 0.00 C ATOM 1185 CG GLN A 70 81.321 9.935 10.039 1.00 0.00 C ATOM 1186 CD GLN A 70 80.223 9.553 11.035 1.00 0.00 C ATOM 1187 OE1 GLN A 70 79.348 8.644 10.705 1.00 0.00 O flip ATOM 1188 NE2 GLN A 70 80.163 10.088 12.124 1.00 0.00 N flip ATOM 0 H GLN A 70 81.530 9.802 7.116 1.00 0.00 H new ATOM 0 HA GLN A 70 81.683 12.506 7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.450 11.893 9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 70 79.988 10.724 8.530 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.594 9.071 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 70 82.219 10.247 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.848 10.799 12.381 1.00 0.00 H new ATOM 0 HE22 GLN A 70 79.428 9.826 12.781 1.00 0.00 H new ATOM 1197 N ARG A 71 84.006 10.707 9.209 1.00 0.00 N ATOM 1198 CA ARG A 71 85.257 10.789 10.011 1.00 0.00 C ATOM 1199 C ARG A 71 86.232 11.770 9.355 1.00 0.00 C ATOM 1200 O ARG A 71 86.818 12.608 10.013 1.00 0.00 O ATOM 1201 CB ARG A 71 85.897 9.406 10.085 1.00 0.00 C ATOM 1202 CG ARG A 71 84.985 8.476 10.883 1.00 0.00 C ATOM 1203 CD ARG A 71 85.808 7.327 11.458 1.00 0.00 C ATOM 1204 NE ARG A 71 87.063 7.861 12.057 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.198 7.253 11.844 1.00 0.00 C ATOM 1206 NH1 ARG A 71 88.546 6.929 10.629 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.984 6.968 12.845 1.00 0.00 N ATOM 0 H ARG A 71 83.826 9.796 8.788 1.00 0.00 H new ATOM 0 HA ARG A 71 85.021 11.140 11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.053 9.010 9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 71 86.877 9.470 10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.499 9.028 11.688 1.00 0.00 H new ATOM 0 HG3 ARG A 71 84.195 8.086 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 71 85.230 6.795 12.214 1.00 0.00 H new ATOM 0 HD3 ARG A 71 86.045 6.608 10.674 1.00 0.00 H new ATOM 0 HE ARG A 71 87.035 8.702 12.634 1.00 0.00 H new ATOM 0 HH11 ARG A 71 87.931 7.151 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.433 6.454 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 71 88.712 7.220 13.795 1.00 0.00 H new ATOM 0 HH22 ARG A 71 89.871 6.493 12.678 1.00 0.00 H new ATOM 1221 N GLU A 72 86.415 11.671 8.065 1.00 0.00 N ATOM 1222 CA GLU A 72 87.352 12.597 7.375 1.00 0.00 C ATOM 1223 C GLU A 72 86.620 13.863 6.955 1.00 0.00 C ATOM 1224 O GLU A 72 87.077 14.626 6.128 1.00 0.00 O ATOM 1225 CB GLU A 72 87.925 11.912 6.143 1.00 0.00 C ATOM 1226 CG GLU A 72 88.917 10.835 6.576 1.00 0.00 C ATOM 1227 CD GLU A 72 89.963 10.630 5.478 1.00 0.00 C ATOM 1228 OE1 GLU A 72 90.950 11.347 5.487 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.758 9.762 4.646 1.00 0.00 O ATOM 0 H GLU A 72 85.955 10.989 7.462 1.00 0.00 H new ATOM 0 HA GLU A 72 88.159 12.862 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 72 87.123 11.467 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.421 12.643 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.404 11.128 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.392 9.900 6.771 1.00 0.00 H new ATOM 1236 N ASP A 73 85.487 14.076 7.527 1.00 0.00 N ATOM 1237 CA ASP A 73 84.683 15.284 7.195 1.00 0.00 C ATOM 1238 C ASP A 73 83.344 15.216 7.936 1.00 0.00 C ATOM 1239 O ASP A 73 82.482 14.441 7.574 1.00 0.00 O ATOM 1240 CB ASP A 73 84.427 15.326 5.687 1.00 0.00 C ATOM 1241 CG ASP A 73 85.428 16.275 5.025 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.767 17.271 5.643 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.837 15.990 3.912 1.00 0.00 O ATOM 0 H ASP A 73 85.068 13.460 8.224 1.00 0.00 H new ATOM 0 HA ASP A 73 85.225 16.180 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.523 14.326 5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.408 15.660 5.490 1.00 0.00 H new ATOM 1248 N PRO A 74 83.204 16.030 8.953 1.00 0.00 N ATOM 1249 CA PRO A 74 81.973 16.077 9.756 1.00 0.00 C ATOM 1250 C PRO A 74 80.883 16.811 8.983 1.00 0.00 C ATOM 1251 O PRO A 74 79.709 16.529 9.116 1.00 0.00 O ATOM 1252 CB PRO A 74 82.387 16.847 11.014 1.00 0.00 C ATOM 1253 CG PRO A 74 83.639 17.668 10.627 1.00 0.00 C ATOM 1254 CD PRO A 74 84.250 16.979 9.392 1.00 0.00 C ATOM 0 HA PRO A 74 81.568 15.094 9.995 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.583 17.500 11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.608 16.163 11.833 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.372 18.701 10.402 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.354 17.696 11.449 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.487 17.700 8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.177 16.463 9.642 1.00 0.00 H new ATOM 1262 N GLU A 75 81.269 17.738 8.158 1.00 0.00 N ATOM 1263 CA GLU A 75 80.268 18.478 7.352 1.00 0.00 C ATOM 1264 C GLU A 75 79.774 17.552 6.245 1.00 0.00 C ATOM 1265 O GLU A 75 78.590 17.418 6.012 1.00 0.00 O ATOM 1266 CB GLU A 75 80.914 19.723 6.738 1.00 0.00 C ATOM 1267 CG GLU A 75 82.026 19.301 5.776 1.00 0.00 C ATOM 1268 CD GLU A 75 82.783 20.541 5.295 1.00 0.00 C ATOM 1269 OE1 GLU A 75 82.452 21.624 5.747 1.00 0.00 O ATOM 1270 OE2 GLU A 75 83.678 20.385 4.481 1.00 0.00 O ATOM 0 H GLU A 75 82.239 18.016 8.007 1.00 0.00 H new ATOM 0 HA GLU A 75 79.435 18.794 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.164 20.311 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.321 20.359 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 75 82.711 18.614 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 75 81.602 18.768 4.925 1.00 0.00 H new ATOM 1277 N ARG A 76 80.676 16.891 5.573 1.00 0.00 N ATOM 1278 CA ARG A 76 80.256 15.955 4.501 1.00 0.00 C ATOM 1279 C ARG A 76 79.332 14.905 5.113 1.00 0.00 C ATOM 1280 O ARG A 76 78.604 14.220 4.421 1.00 0.00 O ATOM 1281 CB ARG A 76 81.488 15.273 3.903 1.00 0.00 C ATOM 1282 CG ARG A 76 82.402 16.327 3.275 1.00 0.00 C ATOM 1283 CD ARG A 76 83.342 15.655 2.272 1.00 0.00 C ATOM 1284 NE ARG A 76 83.821 16.666 1.287 1.00 0.00 N ATOM 1285 CZ ARG A 76 84.780 16.364 0.456 1.00 0.00 C ATOM 1286 NH1 ARG A 76 85.856 15.767 0.890 1.00 0.00 N ATOM 1287 NH2 ARG A 76 84.664 16.659 -0.811 1.00 0.00 N ATOM 0 H ARG A 76 81.683 16.960 5.722 1.00 0.00 H new ATOM 0 HA ARG A 76 79.735 16.497 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.025 14.726 4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.184 14.545 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.805 17.090 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.980 16.831 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 76 84.189 15.209 2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.824 14.846 1.757 1.00 0.00 H new ATOM 0 HE ARG A 76 83.399 17.594 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 76 85.947 15.536 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 76 86.606 15.531 0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 76 83.823 17.126 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 76 85.414 16.423 -1.460 1.00 0.00 H new ATOM 1301 N TYR A 77 79.356 14.773 6.415 1.00 0.00 N ATOM 1302 CA TYR A 77 78.484 13.775 7.083 1.00 0.00 C ATOM 1303 C TYR A 77 77.080 14.351 7.276 1.00 0.00 C ATOM 1304 O TYR A 77 76.466 14.170 8.309 1.00 0.00 O ATOM 1305 CB TYR A 77 79.061 13.429 8.453 1.00 0.00 C ATOM 1306 CG TYR A 77 78.253 12.309 9.068 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.763 11.270 8.266 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.992 12.312 10.444 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.016 10.235 8.840 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.245 11.277 11.018 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.757 10.239 10.216 1.00 0.00 C ATOM 1312 OH TYR A 77 76.020 9.218 10.782 1.00 0.00 O ATOM 0 H TYR A 77 79.947 15.319 7.042 1.00 0.00 H new ATOM 0 HA TYR A 77 78.432 12.882 6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.104 13.129 8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.041 14.305 9.101 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.962 11.268 7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.367 13.114 11.063 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.639 9.433 8.222 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.045 11.279 12.079 1.00 0.00 H new ATOM 0 HH TYR A 77 75.933 9.372 11.746 1.00 0.00 H new ATOM 1322 N ARG A 78 76.566 15.047 6.303 1.00 0.00 N ATOM 1323 CA ARG A 78 75.211 15.631 6.453 1.00 0.00 C ATOM 1324 C ARG A 78 74.498 15.663 5.095 1.00 0.00 C ATOM 1325 O ARG A 78 73.696 16.535 4.830 1.00 0.00 O ATOM 1326 CB ARG A 78 75.331 17.053 7.026 1.00 0.00 C ATOM 1327 CG ARG A 78 75.579 18.062 5.900 1.00 0.00 C ATOM 1328 CD ARG A 78 76.658 19.054 6.333 1.00 0.00 C ATOM 1329 NE ARG A 78 76.039 20.390 6.569 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.013 20.894 7.772 1.00 0.00 C ATOM 1331 NH1 ARG A 78 77.130 21.118 8.410 1.00 0.00 N ATOM 1332 NH2 ARG A 78 74.872 21.175 8.338 1.00 0.00 N ATOM 0 H ARG A 78 77.026 15.235 5.413 1.00 0.00 H new ATOM 0 HA ARG A 78 74.624 15.017 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.419 17.314 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.148 17.094 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 78 75.890 17.542 4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 78 74.657 18.592 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 78 77.147 18.702 7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.428 19.129 5.565 1.00 0.00 H new ATOM 0 HE ARG A 78 75.636 20.910 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 78 78.023 20.899 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 78 77.110 21.512 9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 78 73.999 21.001 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 78 74.853 21.569 9.279 1.00 0.00 H new ATOM 1346 N ALA A 79 74.782 14.724 4.235 1.00 0.00 N ATOM 1347 CA ALA A 79 74.115 14.716 2.910 1.00 0.00 C ATOM 1348 C ALA A 79 73.585 13.324 2.606 1.00 0.00 C ATOM 1349 O ALA A 79 72.398 13.119 2.446 1.00 0.00 O ATOM 1350 CB ALA A 79 75.109 15.141 1.829 1.00 0.00 C ATOM 0 H ALA A 79 75.445 13.966 4.395 1.00 0.00 H new ATOM 0 HA ALA A 79 73.281 15.418 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.615 15.134 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.473 16.146 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.949 14.447 1.814 1.00 0.00 H new ATOM 1356 N LEU A 80 74.451 12.364 2.541 1.00 0.00 N ATOM 1357 CA LEU A 80 73.993 10.978 2.265 1.00 0.00 C ATOM 1358 C LEU A 80 73.358 10.406 3.530 1.00 0.00 C ATOM 1359 O LEU A 80 72.920 9.274 3.559 1.00 0.00 O ATOM 1360 CB LEU A 80 75.185 10.114 1.846 1.00 0.00 C ATOM 1361 CG LEU A 80 75.122 9.854 0.341 1.00 0.00 C ATOM 1362 CD1 LEU A 80 75.111 11.188 -0.409 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.346 9.040 -0.086 1.00 0.00 C ATOM 0 H LEU A 80 75.457 12.475 2.666 1.00 0.00 H new ATOM 0 HA LEU A 80 73.261 10.985 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.119 10.616 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.172 9.169 2.390 1.00 0.00 H new ATOM 0 HG LEU A 80 74.214 9.299 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.066 11.002 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 80 74.241 11.769 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.019 11.744 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.303 8.854 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.253 9.596 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.355 8.089 0.447 1.00 0.00 H new ATOM 1375 N ILE A 81 73.287 11.187 4.577 1.00 0.00 N ATOM 1376 CA ILE A 81 72.664 10.689 5.821 1.00 0.00 C ATOM 1377 C ILE A 81 71.150 10.787 5.657 1.00 0.00 C ATOM 1378 O ILE A 81 70.403 9.936 6.100 1.00 0.00 O ATOM 1379 CB ILE A 81 73.165 11.506 7.037 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.095 12.489 7.533 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.425 12.279 6.672 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.124 11.748 8.454 1.00 0.00 C ATOM 0 H ILE A 81 73.635 12.145 4.616 1.00 0.00 H new ATOM 0 HA ILE A 81 72.940 9.651 6.004 1.00 0.00 H new ATOM 0 HB ILE A 81 73.385 10.799 7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.563 13.316 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.558 12.918 6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.766 12.849 7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.205 11.581 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.208 12.962 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.361 12.440 8.810 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.649 10.936 7.904 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.669 11.340 9.305 1.00 0.00 H new ATOM 1394 N GLU A 82 70.696 11.818 5.009 1.00 0.00 N ATOM 1395 CA GLU A 82 69.239 11.981 4.798 1.00 0.00 C ATOM 1396 C GLU A 82 68.829 11.313 3.482 1.00 0.00 C ATOM 1397 O GLU A 82 67.658 11.147 3.203 1.00 0.00 O ATOM 1398 CB GLU A 82 68.893 13.471 4.745 1.00 0.00 C ATOM 1399 CG GLU A 82 68.956 14.060 6.155 1.00 0.00 C ATOM 1400 CD GLU A 82 67.850 15.102 6.323 1.00 0.00 C ATOM 1401 OE1 GLU A 82 66.744 14.841 5.879 1.00 0.00 O ATOM 1402 OE2 GLU A 82 68.126 16.145 6.895 1.00 0.00 O ATOM 0 H GLU A 82 71.276 12.558 4.615 1.00 0.00 H new ATOM 0 HA GLU A 82 68.702 11.512 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.590 13.994 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 82 67.896 13.609 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.841 13.269 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 82 69.930 14.518 6.326 1.00 0.00 H new ATOM 1409 N LYS A 83 69.777 10.933 2.663 1.00 0.00 N ATOM 1410 CA LYS A 83 69.419 10.290 1.374 1.00 0.00 C ATOM 1411 C LYS A 83 69.695 8.785 1.437 1.00 0.00 C ATOM 1412 O LYS A 83 69.756 8.117 0.424 1.00 0.00 O ATOM 1413 CB LYS A 83 70.250 10.911 0.249 1.00 0.00 C ATOM 1414 CG LYS A 83 69.617 12.235 -0.183 1.00 0.00 C ATOM 1415 CD LYS A 83 70.420 12.831 -1.340 1.00 0.00 C ATOM 1416 CE LYS A 83 71.647 13.560 -0.789 1.00 0.00 C ATOM 1417 NZ LYS A 83 72.359 14.246 -1.903 1.00 0.00 N ATOM 0 H LYS A 83 70.777 11.042 2.835 1.00 0.00 H new ATOM 0 HA LYS A 83 68.358 10.448 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.272 11.078 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.303 10.227 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.583 12.073 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.596 12.931 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 83 70.730 12.042 -2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 83 69.799 13.522 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.344 14.286 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 83 72.314 12.851 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 73.193 14.742 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 72.661 13.543 -2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 71.721 14.933 -2.352 1.00 0.00 H new ATOM 1431 N LEU A 84 69.868 8.241 2.612 1.00 0.00 N ATOM 1432 CA LEU A 84 70.144 6.784 2.714 1.00 0.00 C ATOM 1433 C LEU A 84 69.406 6.178 3.911 1.00 0.00 C ATOM 1434 O LEU A 84 68.405 5.506 3.761 1.00 0.00 O ATOM 1435 CB LEU A 84 71.649 6.569 2.879 1.00 0.00 C ATOM 1436 CG LEU A 84 72.387 7.287 1.749 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.893 7.233 2.008 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.074 6.598 0.419 1.00 0.00 C ATOM 0 H LEU A 84 69.830 8.742 3.500 1.00 0.00 H new ATOM 0 HA LEU A 84 69.794 6.293 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 84 71.979 6.951 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 84 71.880 5.504 2.861 1.00 0.00 H new ATOM 0 HG LEU A 84 72.063 8.327 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.419 7.745 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.117 7.722 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.218 6.193 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 84 72.599 7.109 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 84 72.399 5.558 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.001 6.635 0.234 1.00 0.00 H new ATOM 1450 N GLY A 85 69.903 6.399 5.093 1.00 0.00 N ATOM 1451 CA GLY A 85 69.250 5.827 6.307 1.00 0.00 C ATOM 1452 C GLY A 85 70.313 5.638 7.388 1.00 0.00 C ATOM 1453 O GLY A 85 70.582 4.538 7.833 1.00 0.00 O ATOM 0 H GLY A 85 70.739 6.955 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.463 6.492 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 85 68.778 4.874 6.069 1.00 0.00 H new ATOM 1457 N ILE A 86 70.936 6.708 7.791 1.00 0.00 N ATOM 1458 CA ILE A 86 71.989 6.656 8.796 1.00 0.00 C ATOM 1459 C ILE A 86 71.350 6.794 10.191 1.00 0.00 C ATOM 1460 O ILE A 86 70.584 5.947 10.606 1.00 0.00 O ATOM 1461 CB ILE A 86 72.878 7.839 8.438 1.00 0.00 C ATOM 1462 CG1 ILE A 86 74.099 7.962 9.335 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.049 9.109 8.542 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.433 6.626 10.010 1.00 0.00 C ATOM 0 H ILE A 86 70.738 7.645 7.440 1.00 0.00 H new ATOM 0 HA ILE A 86 72.559 5.727 8.816 1.00 0.00 H new ATOM 0 HB ILE A 86 73.248 7.681 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.953 8.298 8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.918 8.721 10.096 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.668 9.970 8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.208 9.052 7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.676 9.217 9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 86 75.311 6.748 10.644 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.588 6.304 10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.638 5.874 9.248 1.00 0.00 H new ATOM 1476 N ARG A 87 71.638 7.840 10.915 1.00 0.00 N ATOM 1477 CA ARG A 87 71.048 8.017 12.241 1.00 0.00 C ATOM 1478 C ARG A 87 70.453 9.422 12.323 1.00 0.00 C ATOM 1479 O ARG A 87 69.672 9.828 11.485 1.00 0.00 O ATOM 1480 CB ARG A 87 72.148 7.817 13.280 1.00 0.00 C ATOM 1481 CG ARG A 87 72.621 6.363 13.248 1.00 0.00 C ATOM 1482 CD ARG A 87 72.562 5.775 14.659 1.00 0.00 C ATOM 1483 NE ARG A 87 73.945 5.537 15.157 1.00 0.00 N ATOM 1484 CZ ARG A 87 74.531 6.430 15.908 1.00 0.00 C ATOM 1485 NH1 ARG A 87 75.067 7.489 15.364 1.00 0.00 N ATOM 1486 NH2 ARG A 87 74.581 6.263 17.201 1.00 0.00 N ATOM 0 H ARG A 87 72.271 8.585 10.625 1.00 0.00 H new ATOM 0 HA ARG A 87 70.253 7.295 12.428 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.983 8.487 13.075 1.00 0.00 H new ATOM 0 HB3 ARG A 87 71.775 8.068 14.273 1.00 0.00 H new ATOM 0 HG2 ARG A 87 71.994 5.780 12.573 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.639 6.309 12.863 1.00 0.00 H new ATOM 0 HD2 ARG A 87 72.036 6.457 15.327 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.001 4.840 14.652 1.00 0.00 H new ATOM 0 HE ARG A 87 74.435 4.676 14.911 1.00 0.00 H new ATOM 0 HH11 ARG A 87 75.028 7.618 14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 87 75.525 8.187 15.950 1.00 0.00 H new ATOM 0 HH21 ARG A 87 74.162 5.435 17.625 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.039 6.960 17.788 1.00 0.00 H new ATOM 1500 N GLY A 88 70.814 10.158 13.316 1.00 0.00 N ATOM 1501 CA GLY A 88 70.278 11.541 13.465 1.00 0.00 C ATOM 1502 C GLY A 88 68.891 11.484 14.108 1.00 0.00 C ATOM 1503 O GLY A 88 68.823 11.268 15.306 1.00 0.00 O ATOM 1504 OXT GLY A 88 67.919 11.658 13.390 1.00 0.00 O ATOM 0 H GLY A 88 71.465 9.867 14.046 1.00 0.00 H new ATOM 0 HA2 GLY A 88 70.951 12.139 14.079 1.00 0.00 H new ATOM 0 HA3 GLY A 88 70.219 12.027 12.491 1.00 0.00 H new