USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 49 ASN : amide:sc= 0.751 K(o=-0.064,f=-12!) USER MOD Set 1.2: A 50 ASN : amide:sc= -0.815 K(o=-0.064,f=-4.6!) USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-0.99) USER MOD Set 3.1: A 30 MET CE :methyl 179:sc= -2.66! (180deg=-1.92!) USER MOD Set 3.2: A 72 MET CE :methyl -170:sc= -2.67! (180deg=-1.5) USER MOD Set 4.1: A 12 ASN : amide:sc= -0.605 K(o=-1.1,f=-7!) USER MOD Set 4.2: A 13 THR OG1 : rot -80:sc= -0.449 USER MOD Set 5.1: A 6 SER OG : rot 120:sc= -1.11 USER MOD Set 5.2: A 71 HIS : no HD1:sc= -0.381 X(o=-1.5,f=-1.1) USER MOD Single : A 4 MET CE :methyl -159:sc= -0.114 (180deg=-0.605) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.229 F(o=-5!,f=-0.23) USER MOD Single : A 26 MET CE :methyl -148:sc= 0 (180deg=-1.8!) USER MOD Single : A 38 SER OG : rot -56:sc= 0.124 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.348 F(o=-2.9!,f=-0.35) USER MOD Single : A 48 SER OG : rot 150:sc= 0.973 USER MOD Single : A 56 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.7!) USER MOD Single : A 61 SER OG : rot 147:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 66 TYR OH : rot -173:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 13.867 7.968 -15.906 1.00 0.00 N ATOM 2 CA MET A 4 13.792 7.090 -14.753 1.00 0.00 C ATOM 3 C MET A 4 12.475 6.328 -14.758 1.00 0.00 C ATOM 4 O MET A 4 11.665 6.496 -15.652 1.00 0.00 O ATOM 5 CB MET A 4 13.952 7.897 -13.452 1.00 0.00 C ATOM 6 CG MET A 4 12.817 8.895 -13.200 1.00 0.00 C ATOM 7 SD MET A 4 12.815 10.266 -14.364 1.00 0.00 S ATOM 8 CE MET A 4 14.367 11.079 -13.974 1.00 0.00 C ATOM 0 HA MET A 4 14.607 6.368 -14.807 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.009 7.206 -12.611 1.00 0.00 H new ATOM 0 HB3 MET A 4 14.898 8.437 -13.485 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.862 8.373 -13.260 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.903 9.286 -12.186 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.335 12.111 -14.324 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.523 11.067 -12.895 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.186 10.554 -14.465 1.00 0.00 H new ATOM 18 N ARG A 5 12.282 5.507 -13.731 1.00 0.00 N ATOM 19 CA ARG A 5 11.049 4.692 -13.604 1.00 0.00 C ATOM 20 C ARG A 5 9.804 5.566 -13.592 1.00 0.00 C ATOM 21 O ARG A 5 8.713 5.113 -13.944 1.00 0.00 O ATOM 22 CB ARG A 5 11.131 3.827 -12.347 1.00 0.00 C ATOM 23 CG ARG A 5 10.160 2.670 -12.366 1.00 0.00 C ATOM 24 CD ARG A 5 10.410 1.788 -13.574 1.00 0.00 C ATOM 25 NE ARG A 5 9.490 0.638 -13.629 1.00 0.00 N ATOM 26 CZ ARG A 5 9.133 0.056 -14.763 1.00 0.00 C ATOM 27 NH1 ARG A 5 9.575 0.521 -15.927 1.00 0.00 N ATOM 28 NH2 ARG A 5 8.331 -1.010 -14.742 1.00 0.00 N ATOM 0 H ARG A 5 12.951 5.379 -12.972 1.00 0.00 H new ATOM 0 HA ARG A 5 10.971 4.040 -14.474 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.145 3.442 -12.242 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.933 4.446 -11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.265 2.084 -11.453 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.137 3.046 -12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.301 2.381 -14.482 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.438 1.427 -13.550 1.00 0.00 H new ATOM 0 HE ARG A 5 9.112 0.274 -12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.194 1.332 -15.951 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.296 0.067 -16.797 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.993 -1.376 -13.852 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.056 -1.458 -15.616 1.00 0.00 H new ATOM 42 N SER A 6 9.970 6.814 -13.163 1.00 0.00 N ATOM 43 CA SER A 6 8.881 7.783 -13.028 1.00 0.00 C ATOM 44 C SER A 6 8.243 8.208 -14.370 1.00 0.00 C ATOM 45 O SER A 6 7.540 9.199 -14.418 1.00 0.00 O ATOM 46 CB SER A 6 9.409 9.009 -12.291 1.00 0.00 C ATOM 47 OG SER A 6 10.052 8.631 -11.082 1.00 0.00 O ATOM 0 H SER A 6 10.880 7.189 -12.894 1.00 0.00 H new ATOM 0 HA SER A 6 8.085 7.293 -12.467 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.110 9.548 -12.928 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.587 9.691 -12.073 1.00 0.00 H new ATOM 0 HG SER A 6 10.988 8.921 -11.105 1.00 0.00 H new ATOM 53 N GLU A 7 8.472 7.443 -15.440 1.00 0.00 N ATOM 54 CA GLU A 7 7.902 7.753 -16.760 1.00 0.00 C ATOM 55 C GLU A 7 6.366 7.586 -16.797 1.00 0.00 C ATOM 56 O GLU A 7 5.774 7.510 -17.877 1.00 0.00 O ATOM 57 CB GLU A 7 8.514 6.833 -17.823 1.00 0.00 C ATOM 58 CG GLU A 7 9.966 7.139 -18.122 1.00 0.00 C ATOM 59 CD GLU A 7 10.531 6.251 -19.208 1.00 0.00 C ATOM 60 OE1 GLU A 7 10.787 5.062 -18.937 1.00 0.00 O ATOM 61 OE2 GLU A 7 10.714 6.743 -20.354 1.00 0.00 O ATOM 0 H GLU A 7 9.049 6.602 -15.421 1.00 0.00 H new ATOM 0 HA GLU A 7 8.137 8.797 -16.965 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.430 5.799 -17.489 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.936 6.919 -18.743 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.060 8.182 -18.424 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.555 7.016 -17.213 1.00 0.00 H new ATOM 68 N PHE A 8 5.725 7.529 -15.643 1.00 0.00 N ATOM 69 CA PHE A 8 4.281 7.373 -15.563 1.00 0.00 C ATOM 70 C PHE A 8 3.553 8.688 -15.886 1.00 0.00 C ATOM 71 O PHE A 8 4.201 9.721 -16.136 1.00 0.00 O ATOM 72 CB PHE A 8 3.855 6.865 -14.185 1.00 0.00 C ATOM 73 CG PHE A 8 4.203 5.415 -13.981 1.00 0.00 C ATOM 74 CD1 PHE A 8 5.499 5.045 -13.610 1.00 0.00 C ATOM 75 CD2 PHE A 8 3.253 4.437 -14.152 1.00 0.00 C ATOM 76 CE1 PHE A 8 5.812 3.716 -13.435 1.00 0.00 C ATOM 77 CE2 PHE A 8 3.570 3.097 -13.970 1.00 0.00 C ATOM 78 CZ PHE A 8 4.854 2.747 -13.619 1.00 0.00 C ATOM 0 H PHE A 8 6.188 7.589 -14.736 1.00 0.00 H new ATOM 0 HA PHE A 8 3.998 6.632 -16.311 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.338 7.465 -13.413 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.780 6.999 -14.067 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.255 5.802 -13.461 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.247 4.714 -14.431 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.815 3.433 -13.152 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.815 2.336 -14.103 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.110 1.706 -13.487 1.00 0.00 H new ATOM 88 N ALA A 9 2.227 8.657 -15.874 1.00 0.00 N ATOM 89 CA ALA A 9 1.396 9.768 -16.327 1.00 0.00 C ATOM 90 C ALA A 9 1.751 11.080 -15.658 1.00 0.00 C ATOM 91 O ALA A 9 1.902 12.115 -16.326 1.00 0.00 O ATOM 92 CB ALA A 9 -0.081 9.461 -16.138 1.00 0.00 C ATOM 0 H ALA A 9 1.692 7.853 -15.547 1.00 0.00 H new ATOM 0 HA ALA A 9 1.600 9.886 -17.391 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.676 10.306 -16.484 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.344 8.573 -16.712 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.283 9.283 -15.082 1.00 0.00 H new ATOM 98 N SER A 10 1.884 11.055 -14.344 1.00 0.00 N ATOM 99 CA SER A 10 2.256 12.242 -13.589 1.00 0.00 C ATOM 100 C SER A 10 3.689 12.124 -13.108 1.00 0.00 C ATOM 101 O SER A 10 4.197 13.022 -12.426 1.00 0.00 O ATOM 102 CB SER A 10 1.314 12.435 -12.427 1.00 0.00 C ATOM 103 OG SER A 10 -0.039 12.427 -12.859 1.00 0.00 O ATOM 0 H SER A 10 1.739 10.222 -13.774 1.00 0.00 H new ATOM 0 HA SER A 10 2.182 13.115 -14.238 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.469 11.644 -11.693 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.534 13.379 -11.929 1.00 0.00 H new ATOM 0 HG SER A 10 -0.630 12.552 -12.087 1.00 0.00 H new ATOM 109 N GLY A 11 4.329 11.000 -13.417 1.00 0.00 N ATOM 110 CA GLY A 11 5.681 10.736 -12.974 1.00 0.00 C ATOM 111 C GLY A 11 5.749 10.349 -11.512 1.00 0.00 C ATOM 112 O GLY A 11 6.157 9.248 -11.163 1.00 0.00 O ATOM 0 H GLY A 11 3.921 10.253 -13.980 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.108 9.935 -13.578 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.294 11.622 -13.140 1.00 0.00 H new ATOM 116 N ASN A 12 5.297 11.262 -10.665 1.00 0.00 N ATOM 117 CA ASN A 12 5.241 11.056 -9.219 1.00 0.00 C ATOM 118 C ASN A 12 4.372 9.857 -8.846 1.00 0.00 C ATOM 119 O ASN A 12 4.517 9.289 -7.767 1.00 0.00 O ATOM 120 CB ASN A 12 4.745 12.321 -8.500 1.00 0.00 C ATOM 121 CG ASN A 12 3.426 12.858 -9.038 1.00 0.00 C ATOM 122 OD1 ASN A 12 2.566 12.111 -9.505 1.00 0.00 O ATOM 123 ND2 ASN A 12 3.262 14.174 -8.987 1.00 0.00 N ATOM 0 H ASN A 12 4.955 12.176 -10.961 1.00 0.00 H new ATOM 0 HA ASN A 12 6.258 10.843 -8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.631 12.103 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.505 13.098 -8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.403 14.595 -9.341 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.995 14.764 -8.593 1.00 0.00 H new ATOM 130 N THR A 13 3.441 9.491 -9.742 1.00 0.00 N ATOM 131 CA THR A 13 2.498 8.404 -9.498 1.00 0.00 C ATOM 132 C THR A 13 3.189 7.111 -9.051 1.00 0.00 C ATOM 133 O THR A 13 2.633 6.346 -8.266 1.00 0.00 O ATOM 134 CB THR A 13 1.684 8.104 -10.771 1.00 0.00 C ATOM 135 OG1 THR A 13 1.403 9.330 -11.448 1.00 0.00 O ATOM 136 CG2 THR A 13 0.381 7.398 -10.428 1.00 0.00 C ATOM 0 H THR A 13 3.327 9.942 -10.650 1.00 0.00 H new ATOM 0 HA THR A 13 1.846 8.741 -8.692 1.00 0.00 H new ATOM 0 HB THR A 13 2.269 7.448 -11.415 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.644 9.776 -11.016 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.176 7.197 -11.343 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.599 6.458 -9.922 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.215 8.033 -9.773 1.00 0.00 H new ATOM 144 N TYR A 14 4.393 6.869 -9.560 1.00 0.00 N ATOM 145 CA TYR A 14 5.146 5.676 -9.181 1.00 0.00 C ATOM 146 C TYR A 14 5.445 5.719 -7.688 1.00 0.00 C ATOM 147 O TYR A 14 5.285 4.731 -6.980 1.00 0.00 O ATOM 148 CB TYR A 14 6.448 5.567 -9.964 1.00 0.00 C ATOM 149 CG TYR A 14 7.176 4.250 -9.729 1.00 0.00 C ATOM 150 CD1 TYR A 14 6.756 3.084 -10.352 1.00 0.00 C ATOM 151 CD2 TYR A 14 8.262 4.176 -8.878 1.00 0.00 C ATOM 152 CE1 TYR A 14 7.405 1.886 -10.151 1.00 0.00 C ATOM 153 CE2 TYR A 14 8.916 2.972 -8.639 1.00 0.00 C ATOM 154 CZ TYR A 14 8.485 1.823 -9.293 1.00 0.00 C ATOM 155 OH TYR A 14 9.121 0.634 -9.076 1.00 0.00 O ATOM 0 H TYR A 14 4.866 7.476 -10.230 1.00 0.00 H new ATOM 0 HA TYR A 14 4.540 4.801 -9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.236 5.673 -11.028 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.103 6.392 -9.686 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.900 3.116 -11.010 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.611 5.073 -8.388 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.070 0.997 -10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.749 2.930 -7.953 1.00 0.00 H new ATOM 0 HH TYR A 14 9.860 0.768 -8.446 1.00 0.00 H new ATOM 165 N ALA A 15 5.847 6.901 -7.234 1.00 0.00 N ATOM 166 CA ALA A 15 6.142 7.136 -5.842 1.00 0.00 C ATOM 167 C ALA A 15 4.883 7.061 -4.995 1.00 0.00 C ATOM 168 O ALA A 15 4.929 6.769 -3.796 1.00 0.00 O ATOM 169 CB ALA A 15 6.803 8.501 -5.670 1.00 0.00 C ATOM 0 H ALA A 15 5.975 7.719 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 15 6.827 6.358 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.022 8.669 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.730 8.531 -6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.130 9.279 -6.029 1.00 0.00 H new ATOM 175 N LEU A 16 3.752 7.324 -5.629 1.00 0.00 N ATOM 176 CA LEU A 16 2.463 7.268 -4.942 1.00 0.00 C ATOM 177 C LEU A 16 2.044 5.829 -4.736 1.00 0.00 C ATOM 178 O LEU A 16 1.659 5.427 -3.631 1.00 0.00 O ATOM 179 CB LEU A 16 1.406 8.019 -5.766 1.00 0.00 C ATOM 180 CG LEU A 16 0.055 8.187 -5.098 1.00 0.00 C ATOM 181 CD1 LEU A 16 0.168 9.082 -3.870 1.00 0.00 C ATOM 182 CD2 LEU A 16 -0.970 8.748 -6.066 1.00 0.00 C ATOM 0 H LEU A 16 3.695 7.578 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 16 2.556 7.744 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.796 9.007 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.263 7.491 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.283 7.200 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.813 9.189 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.860 8.635 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.538 10.063 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.928 8.857 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.637 9.722 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.082 8.069 -6.911 1.00 0.00 H new ATOM 194 N TYR A 17 2.110 5.063 -5.824 1.00 0.00 N ATOM 195 CA TYR A 17 1.745 3.662 -5.805 1.00 0.00 C ATOM 196 C TYR A 17 2.559 2.890 -4.773 1.00 0.00 C ATOM 197 O TYR A 17 2.022 2.222 -3.896 1.00 0.00 O ATOM 198 CB TYR A 17 1.963 3.075 -7.213 1.00 0.00 C ATOM 199 CG TYR A 17 1.804 1.573 -7.313 1.00 0.00 C ATOM 200 CD1 TYR A 17 0.556 0.990 -7.433 1.00 0.00 C ATOM 201 CD2 TYR A 17 2.925 0.750 -7.304 1.00 0.00 C ATOM 202 CE1 TYR A 17 0.413 -0.384 -7.533 1.00 0.00 C ATOM 203 CE2 TYR A 17 2.788 -0.625 -7.408 1.00 0.00 C ATOM 204 CZ TYR A 17 1.541 -1.194 -7.518 1.00 0.00 C ATOM 205 OH TYR A 17 1.405 -2.567 -7.628 1.00 0.00 O ATOM 0 H TYR A 17 2.418 5.402 -6.736 1.00 0.00 H new ATOM 0 HA TYR A 17 0.696 3.571 -5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.259 3.546 -7.899 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.964 3.342 -7.550 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.323 1.617 -7.449 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.909 1.186 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.570 -0.823 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.666 -1.254 -7.403 1.00 0.00 H new ATOM 0 HH TYR A 17 2.290 -2.987 -7.602 1.00 0.00 H new ATOM 215 N VAL A 18 3.889 2.985 -4.895 1.00 0.00 N ATOM 216 CA VAL A 18 4.784 2.282 -3.983 1.00 0.00 C ATOM 217 C VAL A 18 4.562 2.707 -2.528 1.00 0.00 C ATOM 218 O VAL A 18 4.661 1.887 -1.631 1.00 0.00 O ATOM 219 CB VAL A 18 6.268 2.466 -4.376 1.00 0.00 C ATOM 220 CG1 VAL A 18 6.542 1.912 -5.764 1.00 0.00 C ATOM 221 CG2 VAL A 18 6.685 3.930 -4.279 1.00 0.00 C ATOM 0 H VAL A 18 4.361 3.538 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 18 4.541 1.223 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 18 6.871 1.899 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.594 2.056 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.307 0.848 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.922 2.434 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.733 4.029 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.070 4.529 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.550 4.280 -3.255 1.00 0.00 H new ATOM 231 N ARG A 19 4.257 3.989 -2.331 1.00 0.00 N ATOM 232 CA ARG A 19 4.038 4.538 -1.000 1.00 0.00 C ATOM 233 C ARG A 19 2.999 3.749 -0.181 1.00 0.00 C ATOM 234 O ARG A 19 3.198 3.518 1.014 1.00 0.00 O ATOM 235 CB ARG A 19 3.595 6.001 -1.129 1.00 0.00 C ATOM 236 CG ARG A 19 3.514 6.752 0.173 1.00 0.00 C ATOM 237 CD ARG A 19 3.263 8.225 -0.064 1.00 0.00 C ATOM 238 NE ARG A 19 4.283 8.796 -0.958 1.00 0.00 N ATOM 239 CZ ARG A 19 4.067 9.801 -1.806 1.00 0.00 C ATOM 240 NH1 ARG A 19 2.885 10.411 -1.830 1.00 0.00 N ATOM 241 NH2 ARG A 19 5.033 10.201 -2.602 1.00 0.00 N ATOM 0 H ARG A 19 4.156 4.669 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 19 4.981 4.463 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.290 6.520 -1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.617 6.029 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.714 6.338 0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.442 6.623 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.274 8.364 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.270 8.757 0.888 1.00 0.00 H new ATOM 0 HE ARG A 19 5.220 8.395 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.143 10.110 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.721 11.180 -2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.944 9.743 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.872 10.970 -3.253 1.00 0.00 H new ATOM 255 N ASP A 20 1.922 3.329 -0.833 1.00 0.00 N ATOM 256 CA ASP A 20 0.858 2.580 -0.146 1.00 0.00 C ATOM 257 C ASP A 20 1.378 1.255 0.380 1.00 0.00 C ATOM 258 O ASP A 20 1.089 0.856 1.505 1.00 0.00 O ATOM 259 CB ASP A 20 -0.325 2.334 -1.075 1.00 0.00 C ATOM 260 CG ASP A 20 -1.439 1.554 -0.392 1.00 0.00 C ATOM 261 OD1 ASP A 20 -1.407 0.299 -0.403 1.00 0.00 O ATOM 262 OD2 ASP A 20 -2.356 2.207 0.172 1.00 0.00 O ATOM 0 H ASP A 20 1.756 3.488 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 20 0.524 3.186 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.715 3.290 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.013 1.786 -1.954 1.00 0.00 H new ATOM 267 N THR A 21 2.167 0.575 -0.430 1.00 0.00 N ATOM 268 CA THR A 21 2.692 -0.730 -0.073 1.00 0.00 C ATOM 269 C THR A 21 3.885 -0.592 0.871 1.00 0.00 C ATOM 270 O THR A 21 4.191 -1.486 1.656 1.00 0.00 O ATOM 271 CB THR A 21 3.131 -1.469 -1.347 1.00 0.00 C ATOM 272 OG1 THR A 21 2.109 -1.372 -2.341 1.00 0.00 O ATOM 273 CG2 THR A 21 3.418 -2.937 -1.069 1.00 0.00 C ATOM 0 H THR A 21 2.461 0.908 -1.348 1.00 0.00 H new ATOM 0 HA THR A 21 1.910 -1.295 0.434 1.00 0.00 H new ATOM 0 HB THR A 21 4.048 -0.999 -1.704 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.395 -1.843 -3.151 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.726 -3.429 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.216 -3.018 -0.331 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.518 -3.417 -0.685 1.00 0.00 H new ATOM 281 N LEU A 22 4.549 0.546 0.798 1.00 0.00 N ATOM 282 CA LEU A 22 5.767 0.759 1.544 1.00 0.00 C ATOM 283 C LEU A 22 5.463 1.120 2.995 1.00 0.00 C ATOM 284 O LEU A 22 5.317 2.282 3.347 1.00 0.00 O ATOM 285 CB LEU A 22 6.590 1.852 0.881 1.00 0.00 C ATOM 286 CG LEU A 22 7.994 2.027 1.444 1.00 0.00 C ATOM 287 CD1 LEU A 22 8.780 0.729 1.320 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.729 3.136 0.724 1.00 0.00 C ATOM 0 H LEU A 22 4.260 1.339 0.225 1.00 0.00 H new ATOM 0 HA LEU A 22 6.342 -0.167 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.666 1.634 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.056 2.797 0.976 1.00 0.00 H new ATOM 0 HG LEU A 22 7.903 2.293 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.781 0.870 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.271 -0.059 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.851 0.446 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.729 3.242 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.804 2.894 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.184 4.072 0.845 1.00 0.00 H new ATOM 300 N GLN A 23 5.349 0.096 3.827 1.00 0.00 N ATOM 301 CA GLN A 23 5.205 0.287 5.259 1.00 0.00 C ATOM 302 C GLN A 23 6.570 0.205 5.928 1.00 0.00 C ATOM 303 O GLN A 23 7.510 -0.346 5.347 1.00 0.00 O ATOM 304 CB GLN A 23 4.266 -0.781 5.846 1.00 0.00 C ATOM 305 CG GLN A 23 2.843 -0.315 6.126 1.00 0.00 C ATOM 306 CD GLN A 23 1.964 -0.205 4.881 1.00 0.00 C ATOM 307 OE1 GLN A 23 2.539 0.170 3.758 1.00 0.00 O flip ATOM 308 NE2 GLN A 23 0.757 -0.430 4.949 1.00 0.00 N flip ATOM 0 H GLN A 23 5.354 -0.880 3.531 1.00 0.00 H new ATOM 0 HA GLN A 23 4.774 1.271 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.225 -1.624 5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.699 -1.150 6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.377 -1.008 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.881 0.657 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.341 -0.719 5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.172 -0.327 4.120 1.00 0.00 H new ATOM 317 N PRO A 24 6.717 0.769 7.128 1.00 0.00 N ATOM 318 CA PRO A 24 7.946 0.624 7.909 1.00 0.00 C ATOM 319 C PRO A 24 8.333 -0.838 8.083 1.00 0.00 C ATOM 320 O PRO A 24 7.591 -1.605 8.689 1.00 0.00 O ATOM 321 CB PRO A 24 7.600 1.250 9.258 1.00 0.00 C ATOM 322 CG PRO A 24 6.474 2.189 8.988 1.00 0.00 C ATOM 323 CD PRO A 24 5.719 1.599 7.816 1.00 0.00 C ATOM 0 HA PRO A 24 8.798 1.098 7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.310 0.488 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.457 1.777 9.677 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.828 2.286 9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.844 3.187 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.868 1.005 8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.328 2.378 7.161 1.00 0.00 H new ATOM 331 N GLY A 25 9.468 -1.209 7.521 1.00 0.00 N ATOM 332 CA GLY A 25 9.903 -2.591 7.558 1.00 0.00 C ATOM 333 C GLY A 25 10.054 -3.169 6.165 1.00 0.00 C ATOM 334 O GLY A 25 10.682 -4.209 5.990 1.00 0.00 O ATOM 0 H GLY A 25 10.103 -0.575 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.855 -2.659 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.183 -3.184 8.122 1.00 0.00 H new ATOM 338 N MET A 26 9.448 -2.510 5.193 1.00 0.00 N ATOM 339 CA MET A 26 9.571 -2.928 3.798 1.00 0.00 C ATOM 340 C MET A 26 10.960 -2.650 3.262 1.00 0.00 C ATOM 341 O MET A 26 11.522 -1.563 3.468 1.00 0.00 O ATOM 342 CB MET A 26 8.546 -2.213 2.928 1.00 0.00 C ATOM 343 CG MET A 26 7.123 -2.620 3.211 1.00 0.00 C ATOM 344 SD MET A 26 6.786 -4.321 2.735 1.00 0.00 S ATOM 345 CE MET A 26 4.993 -4.264 2.761 1.00 0.00 C ATOM 0 H MET A 26 8.866 -1.685 5.338 1.00 0.00 H new ATOM 0 HA MET A 26 9.388 -4.002 3.765 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.643 -1.138 3.076 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.770 -2.412 1.880 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.918 -2.496 4.274 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.445 -1.955 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.602 -5.238 3.055 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.663 -3.510 3.476 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.623 -4.009 1.768 1.00 0.00 H new ATOM 355 N ARG A 27 11.532 -3.636 2.582 1.00 0.00 N ATOM 356 CA ARG A 27 12.803 -3.454 1.923 1.00 0.00 C ATOM 357 C ARG A 27 12.625 -2.818 0.563 1.00 0.00 C ATOM 358 O ARG A 27 11.607 -3.020 -0.100 1.00 0.00 O ATOM 359 CB ARG A 27 13.573 -4.775 1.790 1.00 0.00 C ATOM 360 CG ARG A 27 14.242 -5.218 3.087 1.00 0.00 C ATOM 361 CD ARG A 27 13.227 -5.720 4.098 1.00 0.00 C ATOM 362 NE ARG A 27 13.832 -5.965 5.413 1.00 0.00 N ATOM 363 CZ ARG A 27 14.417 -7.104 5.759 1.00 0.00 C ATOM 364 NH1 ARG A 27 14.568 -8.082 4.881 1.00 0.00 N ATOM 365 NH2 ARG A 27 14.883 -7.266 6.988 1.00 0.00 N ATOM 0 H ARG A 27 11.129 -4.567 2.477 1.00 0.00 H new ATOM 0 HA ARG A 27 13.391 -2.784 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.888 -5.555 1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.333 -4.668 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.964 -6.006 2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.798 -4.383 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.425 -4.989 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.775 -6.641 3.730 1.00 0.00 H new ATOM 0 HE ARG A 27 13.801 -5.214 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.233 -7.965 3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.020 -8.953 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.792 -6.514 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.332 -8.143 7.252 1.00 0.00 H new ATOM 379 N VAL A 28 13.598 -2.033 0.151 1.00 0.00 N ATOM 380 CA VAL A 28 13.533 -1.320 -1.114 1.00 0.00 C ATOM 381 C VAL A 28 14.730 -1.599 -1.990 1.00 0.00 C ATOM 382 O VAL A 28 15.793 -1.976 -1.497 1.00 0.00 O ATOM 383 CB VAL A 28 13.400 0.195 -0.890 1.00 0.00 C ATOM 384 CG1 VAL A 28 12.138 0.534 -0.122 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.634 0.731 -0.185 1.00 0.00 C ATOM 0 H VAL A 28 14.455 -1.869 0.679 1.00 0.00 H new ATOM 0 HA VAL A 28 12.645 -1.687 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 28 13.322 0.678 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.076 1.613 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.268 0.191 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.161 0.042 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.528 1.805 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.746 0.236 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.515 0.537 -0.796 1.00 0.00 H new ATOM 395 N ARG A 29 14.534 -1.416 -3.279 1.00 0.00 N ATOM 396 CA ARG A 29 15.602 -1.580 -4.267 1.00 0.00 C ATOM 397 C ARG A 29 15.883 -0.244 -4.935 1.00 0.00 C ATOM 398 O ARG A 29 14.981 0.366 -5.505 1.00 0.00 O ATOM 399 CB ARG A 29 15.172 -2.603 -5.330 1.00 0.00 C ATOM 400 CG ARG A 29 16.219 -2.822 -6.407 1.00 0.00 C ATOM 401 CD ARG A 29 17.377 -3.666 -5.912 1.00 0.00 C ATOM 402 NE ARG A 29 16.986 -5.056 -5.673 1.00 0.00 N ATOM 403 CZ ARG A 29 17.847 -6.018 -5.289 1.00 0.00 C ATOM 404 NH1 ARG A 29 19.126 -5.731 -5.145 1.00 0.00 N ATOM 405 NH2 ARG A 29 17.419 -7.262 -5.067 1.00 0.00 N ATOM 0 H ARG A 29 13.635 -1.150 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 29 16.503 -1.936 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.956 -3.554 -4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.246 -2.266 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.758 -3.308 -7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.594 -1.857 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.184 -3.638 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.769 -3.237 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 29 16.007 -5.310 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.459 -4.784 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.782 -6.456 -4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.432 -7.491 -5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.078 -7.984 -4.776 1.00 0.00 H new ATOM 419 N MET A 30 17.119 0.208 -4.859 1.00 0.00 N ATOM 420 CA MET A 30 17.498 1.476 -5.460 1.00 0.00 C ATOM 421 C MET A 30 17.583 1.315 -6.977 1.00 0.00 C ATOM 422 O MET A 30 18.386 0.531 -7.468 1.00 0.00 O ATOM 423 CB MET A 30 18.825 1.961 -4.899 1.00 0.00 C ATOM 424 CG MET A 30 19.181 3.378 -5.323 1.00 0.00 C ATOM 425 SD MET A 30 17.912 4.564 -4.859 1.00 0.00 S ATOM 426 CE MET A 30 18.776 6.101 -5.175 1.00 0.00 C ATOM 0 H MET A 30 17.879 -0.282 -4.388 1.00 0.00 H new ATOM 0 HA MET A 30 16.741 2.223 -5.221 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.789 1.914 -3.811 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.616 1.284 -5.222 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.128 3.665 -4.867 1.00 0.00 H new ATOM 0 HG3 MET A 30 19.326 3.407 -6.403 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.117 6.941 -4.953 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.662 6.157 -4.542 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.075 6.141 -6.222 1.00 0.00 H new ATOM 436 N LEU A 31 16.769 2.066 -7.702 1.00 0.00 N ATOM 437 CA LEU A 31 16.685 1.898 -9.148 1.00 0.00 C ATOM 438 C LEU A 31 17.601 2.843 -9.897 1.00 0.00 C ATOM 439 O LEU A 31 17.931 2.620 -11.073 1.00 0.00 O ATOM 440 CB LEU A 31 15.249 2.114 -9.618 1.00 0.00 C ATOM 441 CG LEU A 31 14.227 1.116 -9.063 1.00 0.00 C ATOM 442 CD1 LEU A 31 12.826 1.447 -9.564 1.00 0.00 C ATOM 443 CD2 LEU A 31 14.608 -0.311 -9.447 1.00 0.00 C ATOM 0 H LEU A 31 16.162 2.791 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 31 17.007 0.880 -9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.939 3.121 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.228 2.065 -10.707 1.00 0.00 H new ATOM 0 HG LEU A 31 14.230 1.193 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.115 0.727 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.551 2.451 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.809 1.401 -10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.871 -1.005 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.635 -0.401 -10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.590 -0.548 -9.039 1.00 0.00 H new ATOM 455 N ASP A 32 18.043 3.906 -9.242 1.00 0.00 N ATOM 456 CA ASP A 32 18.855 4.919 -9.895 1.00 0.00 C ATOM 457 C ASP A 32 20.054 5.270 -9.030 1.00 0.00 C ATOM 458 O ASP A 32 20.027 5.093 -7.819 1.00 0.00 O ATOM 459 CB ASP A 32 17.998 6.162 -10.184 1.00 0.00 C ATOM 460 CG ASP A 32 18.653 7.103 -11.157 1.00 0.00 C ATOM 461 OD1 ASP A 32 18.703 6.786 -12.362 1.00 0.00 O ATOM 462 OD2 ASP A 32 19.103 8.181 -10.726 1.00 0.00 O ATOM 0 H ASP A 32 17.852 4.089 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 32 19.228 4.529 -10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.033 5.849 -10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.803 6.689 -9.250 1.00 0.00 H new ATOM 467 N ASP A 33 21.124 5.747 -9.659 1.00 0.00 N ATOM 468 CA ASP A 33 22.332 6.111 -8.930 1.00 0.00 C ATOM 469 C ASP A 33 22.216 7.544 -8.399 1.00 0.00 C ATOM 470 O ASP A 33 21.899 8.468 -9.158 1.00 0.00 O ATOM 471 CB ASP A 33 23.559 5.994 -9.841 1.00 0.00 C ATOM 472 CG ASP A 33 24.857 6.294 -9.117 1.00 0.00 C ATOM 473 OD1 ASP A 33 25.355 5.431 -8.365 1.00 0.00 O ATOM 474 OD2 ASP A 33 25.403 7.404 -9.322 1.00 0.00 O ATOM 0 H ASP A 33 21.178 5.890 -10.668 1.00 0.00 H new ATOM 0 HA ASP A 33 22.449 5.427 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 33 23.604 4.987 -10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 33 23.449 6.680 -10.681 1.00 0.00 H new ATOM 479 N TYR A 34 22.452 7.714 -7.115 1.00 0.00 N ATOM 480 CA TYR A 34 22.232 9.008 -6.487 1.00 0.00 C ATOM 481 C TYR A 34 23.210 9.206 -5.327 1.00 0.00 C ATOM 482 O TYR A 34 23.017 8.681 -4.229 1.00 0.00 O ATOM 483 CB TYR A 34 20.797 9.072 -5.971 1.00 0.00 C ATOM 484 CG TYR A 34 20.401 10.361 -5.274 1.00 0.00 C ATOM 485 CD1 TYR A 34 20.181 11.534 -5.979 1.00 0.00 C ATOM 486 CD2 TYR A 34 20.198 10.379 -3.893 1.00 0.00 C ATOM 487 CE1 TYR A 34 19.781 12.690 -5.341 1.00 0.00 C ATOM 488 CE2 TYR A 34 19.805 11.533 -3.251 1.00 0.00 C ATOM 489 CZ TYR A 34 19.598 12.682 -3.969 1.00 0.00 C ATOM 490 OH TYR A 34 19.195 13.829 -3.332 1.00 0.00 O ATOM 0 H TYR A 34 22.792 6.984 -6.489 1.00 0.00 H new ATOM 0 HA TYR A 34 22.397 9.799 -7.219 1.00 0.00 H new ATOM 0 HB2 TYR A 34 20.122 8.914 -6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 34 20.643 8.245 -5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 34 20.326 11.543 -7.049 1.00 0.00 H new ATOM 0 HD2 TYR A 34 20.351 9.476 -3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.612 13.594 -5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 34 19.660 11.532 -2.181 1.00 0.00 H new ATOM 0 HH TYR A 34 19.111 13.657 -2.371 1.00 0.00 H new ATOM 500 N GLU A 35 24.268 9.975 -5.622 1.00 0.00 N ATOM 501 CA GLU A 35 25.339 10.262 -4.658 1.00 0.00 C ATOM 502 C GLU A 35 25.845 9.002 -3.954 1.00 0.00 C ATOM 503 O GLU A 35 26.545 8.183 -4.559 1.00 0.00 O ATOM 504 CB GLU A 35 24.905 11.326 -3.651 1.00 0.00 C ATOM 505 CG GLU A 35 24.949 12.749 -4.187 1.00 0.00 C ATOM 506 CD GLU A 35 23.795 13.089 -5.093 1.00 0.00 C ATOM 507 OE1 GLU A 35 23.846 12.757 -6.290 1.00 0.00 O ATOM 508 OE2 GLU A 35 22.830 13.714 -4.607 1.00 0.00 O ATOM 0 H GLU A 35 24.405 10.414 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 35 26.179 10.659 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 35 23.890 11.105 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 35 25.546 11.261 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 24.958 13.444 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 35 25.882 12.894 -4.731 1.00 0.00 H new ATOM 515 N GLU A 36 25.487 8.865 -2.683 1.00 0.00 N ATOM 516 CA GLU A 36 25.985 7.772 -1.867 1.00 0.00 C ATOM 517 C GLU A 36 25.474 6.423 -2.355 1.00 0.00 C ATOM 518 O GLU A 36 26.188 5.409 -2.285 1.00 0.00 O ATOM 519 CB GLU A 36 25.592 7.989 -0.402 1.00 0.00 C ATOM 520 CG GLU A 36 26.175 6.956 0.550 1.00 0.00 C ATOM 521 CD GLU A 36 25.872 7.270 2.001 1.00 0.00 C ATOM 522 OE1 GLU A 36 26.620 8.065 2.607 1.00 0.00 O ATOM 523 OE2 GLU A 36 24.884 6.717 2.538 1.00 0.00 O ATOM 0 H GLU A 36 24.853 9.499 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 36 27.072 7.762 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 36 25.919 8.981 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 36 24.505 7.972 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 36 25.775 5.972 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 36 27.255 6.906 0.410 1.00 0.00 H new ATOM 530 N ILE A 37 24.267 6.394 -2.871 1.00 0.00 N ATOM 531 CA ILE A 37 23.617 5.141 -3.210 1.00 0.00 C ATOM 532 C ILE A 37 23.716 4.870 -4.717 1.00 0.00 C ATOM 533 O ILE A 37 23.766 5.800 -5.511 1.00 0.00 O ATOM 534 CB ILE A 37 22.147 5.135 -2.754 1.00 0.00 C ATOM 535 CG1 ILE A 37 22.035 5.694 -1.332 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.559 3.737 -2.806 1.00 0.00 C ATOM 537 CD1 ILE A 37 22.843 4.926 -0.301 1.00 0.00 C ATOM 0 H ILE A 37 23.710 7.226 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 37 24.135 4.342 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 37 21.581 5.767 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 37 22.363 6.734 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.987 5.691 -1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.520 3.767 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.606 3.360 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 37 22.128 3.078 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 37 22.711 5.384 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.501 3.892 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 37 23.898 4.951 -0.574 1.00 0.00 H new ATOM 549 N SER A 38 23.734 3.601 -5.085 1.00 0.00 N ATOM 550 CA SER A 38 23.853 3.198 -6.474 1.00 0.00 C ATOM 551 C SER A 38 22.677 2.317 -6.881 1.00 0.00 C ATOM 552 O SER A 38 21.921 1.854 -6.024 1.00 0.00 O ATOM 553 CB SER A 38 25.156 2.444 -6.689 1.00 0.00 C ATOM 554 OG SER A 38 26.269 3.257 -6.338 1.00 0.00 O ATOM 0 H SER A 38 23.667 2.822 -4.430 1.00 0.00 H new ATOM 0 HA SER A 38 23.849 4.095 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.159 1.534 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.237 2.138 -7.732 1.00 0.00 H new ATOM 0 HG SER A 38 26.239 4.092 -6.851 1.00 0.00 H new ATOM 560 N ALA A 39 22.517 2.105 -8.178 1.00 0.00 N ATOM 561 CA ALA A 39 21.463 1.256 -8.698 1.00 0.00 C ATOM 562 C ALA A 39 21.732 -0.187 -8.305 1.00 0.00 C ATOM 563 O ALA A 39 22.814 -0.723 -8.560 1.00 0.00 O ATOM 564 CB ALA A 39 21.349 1.405 -10.205 1.00 0.00 C ATOM 0 H ALA A 39 23.114 2.516 -8.896 1.00 0.00 H new ATOM 0 HA ALA A 39 20.510 1.562 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.552 0.760 -10.575 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.120 2.442 -10.452 1.00 0.00 H new ATOM 0 HB3 ALA A 39 22.292 1.121 -10.671 1.00 0.00 H new ATOM 570 N GLY A 40 20.736 -0.826 -7.706 1.00 0.00 N ATOM 571 CA GLY A 40 20.889 -2.200 -7.270 1.00 0.00 C ATOM 572 C GLY A 40 21.044 -2.334 -5.773 1.00 0.00 C ATOM 573 O GLY A 40 20.831 -3.408 -5.217 1.00 0.00 O ATOM 0 H GLY A 40 19.822 -0.416 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 40 20.021 -2.776 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 21.760 -2.635 -7.760 1.00 0.00 H new ATOM 577 N ASP A 41 21.413 -1.241 -5.103 1.00 0.00 N ATOM 578 CA ASP A 41 21.588 -1.257 -3.661 1.00 0.00 C ATOM 579 C ASP A 41 20.261 -1.552 -2.949 1.00 0.00 C ATOM 580 O ASP A 41 19.203 -1.088 -3.368 1.00 0.00 O ATOM 581 CB ASP A 41 22.158 0.064 -3.148 1.00 0.00 C ATOM 582 CG ASP A 41 23.651 0.188 -3.350 1.00 0.00 C ATOM 583 OD1 ASP A 41 24.373 -0.800 -3.072 1.00 0.00 O ATOM 584 OD2 ASP A 41 24.122 1.260 -3.754 1.00 0.00 O ATOM 0 H ASP A 41 21.595 -0.338 -5.541 1.00 0.00 H new ATOM 0 HA ASP A 41 22.300 -2.052 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.659 0.889 -3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.932 0.161 -2.086 1.00 0.00 H new ATOM 589 N GLU A 42 20.335 -2.323 -1.886 1.00 0.00 N ATOM 590 CA GLU A 42 19.154 -2.683 -1.118 1.00 0.00 C ATOM 591 C GLU A 42 19.086 -1.895 0.186 1.00 0.00 C ATOM 592 O GLU A 42 20.110 -1.564 0.793 1.00 0.00 O ATOM 593 CB GLU A 42 19.191 -4.184 -0.810 1.00 0.00 C ATOM 594 CG GLU A 42 19.252 -5.045 -2.069 1.00 0.00 C ATOM 595 CD GLU A 42 19.944 -6.363 -1.831 1.00 0.00 C ATOM 596 OE1 GLU A 42 21.200 -6.399 -1.916 1.00 0.00 O ATOM 597 OE2 GLU A 42 19.262 -7.376 -1.558 1.00 0.00 O ATOM 0 H GLU A 42 21.205 -2.717 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 42 18.269 -2.443 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 42 20.057 -4.401 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.306 -4.454 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 42 18.240 -5.229 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 42 19.776 -4.499 -2.854 1.00 0.00 H new ATOM 604 N GLY A 43 17.881 -1.596 0.616 1.00 0.00 N ATOM 605 CA GLY A 43 17.673 -0.899 1.863 1.00 0.00 C ATOM 606 C GLY A 43 16.344 -1.250 2.488 1.00 0.00 C ATOM 607 O GLY A 43 15.591 -2.059 1.952 1.00 0.00 O ATOM 0 H GLY A 43 17.024 -1.828 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.477 -1.147 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.721 0.176 1.691 1.00 0.00 H new ATOM 611 N GLU A 44 16.045 -0.643 3.622 1.00 0.00 N ATOM 612 CA GLU A 44 14.776 -0.858 4.289 1.00 0.00 C ATOM 613 C GLU A 44 14.140 0.481 4.654 1.00 0.00 C ATOM 614 O GLU A 44 14.839 1.451 4.970 1.00 0.00 O ATOM 615 CB GLU A 44 14.971 -1.729 5.530 1.00 0.00 C ATOM 616 CG GLU A 44 13.673 -2.062 6.249 1.00 0.00 C ATOM 617 CD GLU A 44 13.891 -2.881 7.498 1.00 0.00 C ATOM 618 OE1 GLU A 44 14.232 -2.290 8.557 1.00 0.00 O ATOM 619 OE2 GLU A 44 13.737 -4.120 7.445 1.00 0.00 O ATOM 0 H GLU A 44 16.668 0.006 4.102 1.00 0.00 H new ATOM 0 HA GLU A 44 14.102 -1.381 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.464 -2.657 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.639 -1.217 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.160 -1.137 6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.017 -2.608 5.571 1.00 0.00 H new ATOM 626 N PHE A 45 12.816 0.526 4.631 1.00 0.00 N ATOM 627 CA PHE A 45 12.091 1.759 4.901 1.00 0.00 C ATOM 628 C PHE A 45 11.773 1.833 6.399 1.00 0.00 C ATOM 629 O PHE A 45 11.145 0.913 6.947 1.00 0.00 O ATOM 630 CB PHE A 45 10.821 1.817 4.066 1.00 0.00 C ATOM 631 CG PHE A 45 9.917 2.965 4.402 1.00 0.00 C ATOM 632 CD1 PHE A 45 10.245 4.253 4.044 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.725 2.746 5.087 1.00 0.00 C ATOM 634 CE1 PHE A 45 9.402 5.298 4.355 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.880 3.779 5.399 1.00 0.00 C ATOM 636 CZ PHE A 45 8.223 5.057 5.028 1.00 0.00 C ATOM 0 H PHE A 45 12.221 -0.278 4.428 1.00 0.00 H new ATOM 0 HA PHE A 45 12.705 2.617 4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.095 1.881 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.271 0.885 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.168 4.446 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.460 1.740 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.665 6.306 4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.958 3.591 5.929 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.564 5.879 5.265 1.00 0.00 H new ATOM 646 N ARG A 46 12.195 2.906 7.037 1.00 0.00 N ATOM 647 CA ARG A 46 11.985 3.053 8.466 1.00 0.00 C ATOM 648 C ARG A 46 10.831 4.026 8.772 1.00 0.00 C ATOM 649 O ARG A 46 9.985 3.737 9.628 1.00 0.00 O ATOM 650 CB ARG A 46 13.280 3.544 9.145 1.00 0.00 C ATOM 651 CG ARG A 46 14.423 2.575 8.950 1.00 0.00 C ATOM 652 CD ARG A 46 15.743 3.133 9.475 1.00 0.00 C ATOM 653 NE ARG A 46 15.745 3.338 10.915 1.00 0.00 N ATOM 654 CZ ARG A 46 16.459 2.608 11.768 1.00 0.00 C ATOM 655 NH1 ARG A 46 17.163 1.576 11.315 1.00 0.00 N ATOM 656 NH2 ARG A 46 16.468 2.911 13.059 1.00 0.00 N ATOM 0 H ARG A 46 12.682 3.685 6.594 1.00 0.00 H new ATOM 0 HA ARG A 46 11.714 2.075 8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.556 4.517 8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.100 3.683 10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.196 1.640 9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.524 2.342 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 46 16.550 2.450 9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.952 4.081 8.979 1.00 0.00 H new ATOM 0 HE ARG A 46 15.164 4.086 11.294 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.153 1.349 10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.713 1.011 11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.927 3.705 13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.016 2.350 13.711 1.00 0.00 H new ATOM 670 N GLN A 47 10.816 5.151 8.058 1.00 0.00 N ATOM 671 CA GLN A 47 9.773 6.157 8.225 1.00 0.00 C ATOM 672 C GLN A 47 9.980 7.313 7.258 1.00 0.00 C ATOM 673 O GLN A 47 11.039 7.432 6.635 1.00 0.00 O ATOM 674 CB GLN A 47 9.690 6.687 9.666 1.00 0.00 C ATOM 675 CG GLN A 47 10.843 7.612 10.081 1.00 0.00 C ATOM 676 CD GLN A 47 12.135 6.870 10.324 1.00 0.00 C ATOM 677 OE1 GLN A 47 12.989 6.835 9.314 1.00 0.00 O flip ATOM 678 NE2 GLN A 47 12.374 6.370 11.420 1.00 0.00 N flip ATOM 0 H GLN A 47 11.518 5.387 7.357 1.00 0.00 H new ATOM 0 HA GLN A 47 8.826 5.664 8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.750 7.226 9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.661 5.838 10.349 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.000 8.359 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.563 8.149 10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.682 6.424 12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.265 5.901 11.583 1.00 0.00 H new ATOM 687 N SER A 48 8.975 8.187 7.152 1.00 0.00 N ATOM 688 CA SER A 48 9.007 9.281 6.177 1.00 0.00 C ATOM 689 C SER A 48 7.932 10.319 6.489 1.00 0.00 C ATOM 690 O SER A 48 7.259 10.231 7.516 1.00 0.00 O ATOM 691 CB SER A 48 8.785 8.735 4.780 1.00 0.00 C ATOM 692 OG SER A 48 7.570 7.998 4.717 1.00 0.00 O ATOM 0 H SER A 48 8.133 8.159 7.727 1.00 0.00 H new ATOM 0 HA SER A 48 9.985 9.759 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.756 9.556 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.620 8.094 4.497 1.00 0.00 H new ATOM 0 HG SER A 48 7.191 8.068 3.816 1.00 0.00 H new ATOM 698 N ASN A 49 7.775 11.278 5.595 1.00 0.00 N ATOM 699 CA ASN A 49 6.738 12.283 5.742 1.00 0.00 C ATOM 700 C ASN A 49 5.546 11.877 4.894 1.00 0.00 C ATOM 701 O ASN A 49 5.516 10.745 4.385 1.00 0.00 O ATOM 702 CB ASN A 49 7.262 13.663 5.330 1.00 0.00 C ATOM 703 CG ASN A 49 7.479 13.763 3.851 1.00 0.00 C ATOM 704 OD1 ASN A 49 6.583 14.163 3.113 1.00 0.00 O ATOM 705 ND2 ASN A 49 8.672 13.417 3.402 1.00 0.00 N ATOM 0 H ASN A 49 8.352 11.382 4.760 1.00 0.00 H new ATOM 0 HA ASN A 49 6.433 12.350 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.553 14.429 5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.200 13.864 5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.879 13.477 2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.387 13.090 4.052 1.00 0.00 H new ATOM 712 N ASN A 50 4.542 12.754 4.732 1.00 0.00 N ATOM 713 CA ASN A 50 3.305 12.394 4.047 1.00 0.00 C ATOM 714 C ASN A 50 3.540 11.958 2.595 1.00 0.00 C ATOM 715 O ASN A 50 2.871 11.042 2.120 1.00 0.00 O ATOM 716 CB ASN A 50 2.279 13.535 4.064 1.00 0.00 C ATOM 717 CG ASN A 50 2.690 14.751 3.222 1.00 0.00 C ATOM 718 OD1 ASN A 50 3.875 15.086 3.131 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.718 15.402 2.609 1.00 0.00 N ATOM 0 H ASN A 50 4.570 13.716 5.069 1.00 0.00 H new ATOM 0 HA ASN A 50 2.906 11.547 4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.324 13.158 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.122 13.855 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.933 16.216 2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.752 15.091 2.711 1.00 0.00 H new ATOM 726 N GLY A 51 4.481 12.577 1.892 1.00 0.00 N ATOM 727 CA GLY A 51 4.668 12.269 0.483 1.00 0.00 C ATOM 728 C GLY A 51 5.691 13.167 -0.206 1.00 0.00 C ATOM 729 O GLY A 51 6.109 12.884 -1.331 1.00 0.00 O ATOM 0 H GLY A 51 5.115 13.282 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.984 11.230 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.711 12.361 -0.031 1.00 0.00 H new ATOM 733 N VAL A 52 6.081 14.227 0.495 1.00 0.00 N ATOM 734 CA VAL A 52 7.156 15.096 0.046 1.00 0.00 C ATOM 735 C VAL A 52 8.432 14.245 -0.146 1.00 0.00 C ATOM 736 O VAL A 52 8.697 13.342 0.651 1.00 0.00 O ATOM 737 CB VAL A 52 7.453 16.229 1.074 1.00 0.00 C ATOM 738 CG1 VAL A 52 8.458 17.223 0.534 1.00 0.00 C ATOM 739 CG2 VAL A 52 6.165 16.927 1.484 1.00 0.00 C ATOM 0 H VAL A 52 5.663 14.504 1.383 1.00 0.00 H new ATOM 0 HA VAL A 52 6.850 15.563 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 52 7.895 15.769 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.640 17.998 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.393 16.710 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.067 17.679 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.391 17.715 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.691 17.363 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.489 16.204 1.940 1.00 0.00 H new ATOM 749 N PRO A 53 9.186 14.518 -1.237 1.00 0.00 N ATOM 750 CA PRO A 53 10.390 13.792 -1.660 1.00 0.00 C ATOM 751 C PRO A 53 11.206 13.076 -0.542 1.00 0.00 C ATOM 752 O PRO A 53 11.485 11.904 -0.684 1.00 0.00 O ATOM 753 CB PRO A 53 11.244 14.906 -2.294 1.00 0.00 C ATOM 754 CG PRO A 53 10.312 16.041 -2.544 1.00 0.00 C ATOM 755 CD PRO A 53 8.913 15.574 -2.204 1.00 0.00 C ATOM 0 HA PRO A 53 10.108 12.963 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.054 15.205 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.704 14.566 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.586 16.902 -1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.366 16.358 -3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.306 16.373 -1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.381 15.201 -3.079 1.00 0.00 H new ATOM 763 N PRO A 54 11.610 13.760 0.558 1.00 0.00 N ATOM 764 CA PRO A 54 12.526 13.151 1.545 1.00 0.00 C ATOM 765 C PRO A 54 11.946 11.909 2.231 1.00 0.00 C ATOM 766 O PRO A 54 10.951 11.963 2.961 1.00 0.00 O ATOM 767 CB PRO A 54 12.753 14.277 2.556 1.00 0.00 C ATOM 768 CG PRO A 54 11.603 15.200 2.392 1.00 0.00 C ATOM 769 CD PRO A 54 11.214 15.124 0.947 1.00 0.00 C ATOM 0 HA PRO A 54 13.439 12.788 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.800 13.887 3.573 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.696 14.789 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.773 14.907 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.877 16.218 2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.145 15.287 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.730 15.877 0.352 1.00 0.00 H new ATOM 777 N VAL A 55 12.574 10.777 1.952 1.00 0.00 N ATOM 778 CA VAL A 55 12.202 9.505 2.568 1.00 0.00 C ATOM 779 C VAL A 55 13.440 8.891 3.215 1.00 0.00 C ATOM 780 O VAL A 55 14.523 8.877 2.612 1.00 0.00 O ATOM 781 CB VAL A 55 11.568 8.538 1.548 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.504 8.224 0.400 1.00 0.00 C ATOM 783 CG2 VAL A 55 11.142 7.248 2.231 1.00 0.00 C ATOM 0 H VAL A 55 13.352 10.710 1.296 1.00 0.00 H new ATOM 0 HA VAL A 55 11.445 9.689 3.330 1.00 0.00 H new ATOM 0 HB VAL A 55 10.692 9.039 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 55 12.014 7.540 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.761 9.146 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.412 7.761 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.697 6.577 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.013 6.769 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.411 7.472 3.008 1.00 0.00 H new ATOM 793 N GLN A 56 13.309 8.397 4.425 1.00 0.00 N ATOM 794 CA GLN A 56 14.469 7.885 5.145 1.00 0.00 C ATOM 795 C GLN A 56 14.546 6.371 5.016 1.00 0.00 C ATOM 796 O GLN A 56 13.707 5.640 5.544 1.00 0.00 O ATOM 797 CB GLN A 56 14.443 8.277 6.624 1.00 0.00 C ATOM 798 CG GLN A 56 15.729 7.934 7.337 1.00 0.00 C ATOM 799 CD GLN A 56 15.768 8.411 8.789 1.00 0.00 C ATOM 800 OE1 GLN A 56 16.423 7.807 9.634 1.00 0.00 O ATOM 801 NE2 GLN A 56 15.031 9.468 9.086 1.00 0.00 N ATOM 0 H GLN A 56 12.426 8.336 4.932 1.00 0.00 H new ATOM 0 HA GLN A 56 15.354 8.335 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.259 9.348 6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.613 7.771 7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.871 6.853 7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.565 8.377 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.501 9.942 8.355 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.992 9.809 10.046 1.00 0.00 H new ATOM 810 N VAL A 57 15.560 5.916 4.334 1.00 0.00 N ATOM 811 CA VAL A 57 15.758 4.515 4.066 1.00 0.00 C ATOM 812 C VAL A 57 17.078 4.062 4.673 1.00 0.00 C ATOM 813 O VAL A 57 18.094 4.730 4.525 1.00 0.00 O ATOM 814 CB VAL A 57 15.763 4.230 2.554 1.00 0.00 C ATOM 815 CG1 VAL A 57 16.040 2.775 2.268 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.448 4.663 1.929 1.00 0.00 C ATOM 0 H VAL A 57 16.285 6.516 3.941 1.00 0.00 H new ATOM 0 HA VAL A 57 14.932 3.963 4.514 1.00 0.00 H new ATOM 0 HB VAL A 57 16.569 4.811 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.036 2.609 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.015 2.504 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.270 2.160 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.468 4.455 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.627 4.114 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.304 5.732 2.088 1.00 0.00 H new ATOM 826 N PHE A 58 17.034 2.953 5.388 1.00 0.00 N ATOM 827 CA PHE A 58 18.225 2.374 5.926 1.00 0.00 C ATOM 828 C PHE A 58 18.887 1.500 4.869 1.00 0.00 C ATOM 829 O PHE A 58 18.429 0.410 4.573 1.00 0.00 O ATOM 830 CB PHE A 58 17.927 1.549 7.181 1.00 0.00 C ATOM 831 CG PHE A 58 19.149 1.001 7.863 1.00 0.00 C ATOM 832 CD1 PHE A 58 19.845 1.759 8.765 1.00 0.00 C ATOM 833 CD2 PHE A 58 19.598 -0.287 7.586 1.00 0.00 C ATOM 834 CE1 PHE A 58 20.972 1.273 9.405 1.00 0.00 C ATOM 835 CE2 PHE A 58 20.732 -0.792 8.215 1.00 0.00 C ATOM 836 CZ PHE A 58 21.410 -0.011 9.122 1.00 0.00 C ATOM 0 H PHE A 58 16.177 2.443 5.604 1.00 0.00 H new ATOM 0 HA PHE A 58 18.901 3.180 6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.378 2.170 7.888 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.273 0.720 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.507 2.761 8.983 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.062 -0.900 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 58 21.504 1.887 10.117 1.00 0.00 H new ATOM 0 HE2 PHE A 58 21.078 -1.791 7.992 1.00 0.00 H new ATOM 0 HZ PHE A 58 22.288 -0.400 9.616 1.00 0.00 H new ATOM 846 N TRP A 59 19.941 2.004 4.284 1.00 0.00 N ATOM 847 CA TRP A 59 20.621 1.280 3.229 1.00 0.00 C ATOM 848 C TRP A 59 21.622 0.335 3.853 1.00 0.00 C ATOM 849 O TRP A 59 22.576 0.770 4.512 1.00 0.00 O ATOM 850 CB TRP A 59 21.301 2.263 2.278 1.00 0.00 C ATOM 851 CG TRP A 59 20.309 3.105 1.529 1.00 0.00 C ATOM 852 CD1 TRP A 59 19.973 4.395 1.799 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.529 2.699 0.398 1.00 0.00 C ATOM 854 NE1 TRP A 59 19.023 4.818 0.901 1.00 0.00 N ATOM 855 CE2 TRP A 59 18.742 3.799 0.036 1.00 0.00 C ATOM 856 CE3 TRP A 59 19.419 1.519 -0.348 1.00 0.00 C ATOM 857 CZ2 TRP A 59 17.855 3.779 -1.027 1.00 0.00 C ATOM 858 CZ3 TRP A 59 18.536 1.487 -1.419 1.00 0.00 C ATOM 859 CH2 TRP A 59 17.769 2.616 -1.752 1.00 0.00 C ATOM 0 H TRP A 59 20.351 2.909 4.515 1.00 0.00 H new ATOM 0 HA TRP A 59 19.905 0.699 2.648 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.970 2.910 2.845 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.917 1.712 1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 59 20.389 4.994 2.596 1.00 0.00 H new ATOM 0 HE1 TRP A 59 18.596 5.744 0.883 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.009 0.651 -0.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 17.256 4.642 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 18.438 0.584 -2.003 1.00 0.00 H new ATOM 0 HH2 TRP A 59 17.097 2.568 -2.596 1.00 0.00 H new ATOM 870 N GLU A 60 21.408 -0.949 3.651 1.00 0.00 N ATOM 871 CA GLU A 60 22.233 -1.962 4.291 1.00 0.00 C ATOM 872 C GLU A 60 23.547 -2.121 3.533 1.00 0.00 C ATOM 873 O GLU A 60 24.483 -2.757 4.007 1.00 0.00 O ATOM 874 CB GLU A 60 21.480 -3.289 4.402 1.00 0.00 C ATOM 875 CG GLU A 60 20.924 -3.832 3.094 1.00 0.00 C ATOM 876 CD GLU A 60 21.893 -4.738 2.366 1.00 0.00 C ATOM 877 OE1 GLU A 60 21.968 -5.933 2.724 1.00 0.00 O ATOM 878 OE2 GLU A 60 22.584 -4.272 1.445 1.00 0.00 O ATOM 0 H GLU A 60 20.672 -1.319 3.050 1.00 0.00 H new ATOM 0 HA GLU A 60 22.465 -1.639 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 60 22.151 -4.034 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 60 20.655 -3.162 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.005 -4.382 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.659 -2.997 2.445 1.00 0.00 H new ATOM 885 N SER A 61 23.579 -1.533 2.350 1.00 0.00 N ATOM 886 CA SER A 61 24.789 -1.490 1.552 1.00 0.00 C ATOM 887 C SER A 61 25.834 -0.612 2.230 1.00 0.00 C ATOM 888 O SER A 61 27.017 -0.969 2.308 1.00 0.00 O ATOM 889 CB SER A 61 24.452 -0.960 0.155 1.00 0.00 C ATOM 890 OG SER A 61 25.593 -0.999 -0.703 1.00 0.00 O ATOM 0 H SER A 61 22.775 -1.076 1.920 1.00 0.00 H new ATOM 0 HA SER A 61 25.204 -2.494 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.648 -1.555 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 61 24.086 0.064 0.231 1.00 0.00 H new ATOM 0 HG SER A 61 25.305 -1.176 -1.623 1.00 0.00 H new ATOM 896 N THR A 62 25.397 0.539 2.732 1.00 0.00 N ATOM 897 CA THR A 62 26.284 1.464 3.420 1.00 0.00 C ATOM 898 C THR A 62 26.220 1.279 4.935 1.00 0.00 C ATOM 899 O THR A 62 27.147 1.661 5.655 1.00 0.00 O ATOM 900 CB THR A 62 25.919 2.913 3.061 1.00 0.00 C ATOM 901 OG1 THR A 62 24.501 3.099 3.103 1.00 0.00 O ATOM 902 CG2 THR A 62 26.430 3.277 1.671 1.00 0.00 C ATOM 0 H THR A 62 24.428 0.852 2.673 1.00 0.00 H new ATOM 0 HA THR A 62 27.302 1.251 3.094 1.00 0.00 H new ATOM 0 HB THR A 62 26.393 3.564 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.286 4.027 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.158 4.307 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 62 27.515 3.173 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 62 25.983 2.611 0.933 1.00 0.00 H new ATOM 910 N GLY A 63 25.120 0.684 5.399 1.00 0.00 N ATOM 911 CA GLY A 63 24.954 0.450 6.823 1.00 0.00 C ATOM 912 C GLY A 63 24.498 1.670 7.572 1.00 0.00 C ATOM 913 O GLY A 63 24.788 1.825 8.752 1.00 0.00 O ATOM 0 H GLY A 63 24.347 0.362 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.230 -0.352 6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.900 0.107 7.241 1.00 0.00 H new ATOM 917 N ARG A 64 23.764 2.550 6.895 1.00 0.00 N ATOM 918 CA ARG A 64 23.337 3.822 7.480 1.00 0.00 C ATOM 919 C ARG A 64 22.046 4.306 6.865 1.00 0.00 C ATOM 920 O ARG A 64 21.617 3.803 5.814 1.00 0.00 O ATOM 921 CB ARG A 64 24.447 4.853 7.313 1.00 0.00 C ATOM 922 CG ARG A 64 24.964 5.008 5.894 1.00 0.00 C ATOM 923 CD ARG A 64 26.162 5.935 5.828 1.00 0.00 C ATOM 924 NE ARG A 64 27.266 5.437 6.657 1.00 0.00 N ATOM 925 CZ ARG A 64 28.169 6.230 7.220 1.00 0.00 C ATOM 926 NH1 ARG A 64 28.164 7.527 7.018 1.00 0.00 N ATOM 927 NH2 ARG A 64 29.125 5.698 7.996 1.00 0.00 N ATOM 0 H ARG A 64 23.450 2.406 5.935 1.00 0.00 H new ATOM 0 HA ARG A 64 23.146 3.674 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.081 5.820 7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.280 4.578 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.239 4.030 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.169 5.397 5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.495 6.030 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.873 6.931 6.163 1.00 0.00 H new ATOM 0 HE ARG A 64 27.343 4.431 6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.455 7.947 6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.869 8.115 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 64 29.155 4.690 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.822 6.301 8.432 1.00 0.00 H new ATOM 941 N THR A 65 21.421 5.272 7.506 1.00 0.00 N ATOM 942 CA THR A 65 20.197 5.843 6.988 1.00 0.00 C ATOM 943 C THR A 65 20.495 6.973 6.012 1.00 0.00 C ATOM 944 O THR A 65 21.510 7.656 6.129 1.00 0.00 O ATOM 945 CB THR A 65 19.312 6.372 8.129 1.00 0.00 C ATOM 946 OG1 THR A 65 20.137 6.925 9.169 1.00 0.00 O ATOM 947 CG2 THR A 65 18.442 5.264 8.678 1.00 0.00 C ATOM 0 H THR A 65 21.741 5.677 8.386 1.00 0.00 H new ATOM 0 HA THR A 65 19.663 5.051 6.462 1.00 0.00 H new ATOM 0 HB THR A 65 18.662 7.156 7.739 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.569 7.262 9.893 1.00 0.00 H new ATOM 0 HG21 THR A 65 17.822 5.654 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 65 17.803 4.876 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.073 4.462 9.061 1.00 0.00 H new ATOM 955 N TYR A 66 19.605 7.157 5.053 1.00 0.00 N ATOM 956 CA TYR A 66 19.784 8.191 4.044 1.00 0.00 C ATOM 957 C TYR A 66 18.420 8.647 3.527 1.00 0.00 C ATOM 958 O TYR A 66 17.489 7.839 3.435 1.00 0.00 O ATOM 959 CB TYR A 66 20.633 7.653 2.892 1.00 0.00 C ATOM 960 CG TYR A 66 20.986 8.677 1.837 1.00 0.00 C ATOM 961 CD1 TYR A 66 21.919 9.676 2.103 1.00 0.00 C ATOM 962 CD2 TYR A 66 20.403 8.647 0.579 1.00 0.00 C ATOM 963 CE1 TYR A 66 22.239 10.609 1.149 1.00 0.00 C ATOM 964 CE2 TYR A 66 20.715 9.576 -0.380 1.00 0.00 C ATOM 965 CZ TYR A 66 21.633 10.561 -0.088 1.00 0.00 C ATOM 966 OH TYR A 66 21.955 11.490 -1.046 1.00 0.00 O ATOM 0 H TYR A 66 18.752 6.607 4.950 1.00 0.00 H new ATOM 0 HA TYR A 66 20.297 9.043 4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.555 7.239 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 66 20.098 6.831 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 66 22.396 9.717 3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.686 7.873 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 66 22.964 11.379 1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 66 20.247 9.536 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 66 21.361 11.383 -1.818 1.00 0.00 H new ATOM 976 N TRP A 67 18.303 9.931 3.197 1.00 0.00 N ATOM 977 CA TRP A 67 17.063 10.466 2.661 1.00 0.00 C ATOM 978 C TRP A 67 17.130 10.502 1.158 1.00 0.00 C ATOM 979 O TRP A 67 17.969 11.201 0.570 1.00 0.00 O ATOM 980 CB TRP A 67 16.779 11.875 3.207 1.00 0.00 C ATOM 981 CG TRP A 67 16.377 11.894 4.649 1.00 0.00 C ATOM 982 CD1 TRP A 67 15.110 11.930 5.151 1.00 0.00 C ATOM 983 CD2 TRP A 67 17.262 11.903 5.770 1.00 0.00 C ATOM 984 NE1 TRP A 67 15.150 11.946 6.532 1.00 0.00 N ATOM 985 CE2 TRP A 67 16.458 11.927 6.931 1.00 0.00 C ATOM 986 CE3 TRP A 67 18.646 11.882 5.921 1.00 0.00 C ATOM 987 CZ2 TRP A 67 17.003 11.932 8.217 1.00 0.00 C ATOM 988 CZ3 TRP A 67 19.189 11.897 7.194 1.00 0.00 C ATOM 989 CH2 TRP A 67 18.365 11.921 8.326 1.00 0.00 C ATOM 0 H TRP A 67 19.053 10.616 3.293 1.00 0.00 H new ATOM 0 HA TRP A 67 16.249 9.813 2.975 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.670 12.490 3.080 1.00 0.00 H new ATOM 0 HB3 TRP A 67 15.988 12.332 2.613 1.00 0.00 H new ATOM 0 HD1 TRP A 67 14.208 11.944 4.557 1.00 0.00 H new ATOM 0 HE1 TRP A 67 14.339 11.968 7.151 1.00 0.00 H new ATOM 0 HE3 TRP A 67 19.289 11.854 5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 16.371 11.944 9.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 20.262 11.890 7.316 1.00 0.00 H new ATOM 0 HH2 TRP A 67 18.816 11.931 9.307 1.00 0.00 H new ATOM 1000 N VAL A 68 16.268 9.727 0.535 1.00 0.00 N ATOM 1001 CA VAL A 68 16.232 9.596 -0.908 1.00 0.00 C ATOM 1002 C VAL A 68 14.919 10.181 -1.414 1.00 0.00 C ATOM 1003 O VAL A 68 14.124 10.700 -0.632 1.00 0.00 O ATOM 1004 CB VAL A 68 16.306 8.101 -1.322 1.00 0.00 C ATOM 1005 CG1 VAL A 68 17.051 7.938 -2.637 1.00 0.00 C ATOM 1006 CG2 VAL A 68 16.950 7.266 -0.226 1.00 0.00 C ATOM 0 H VAL A 68 15.567 9.166 1.018 1.00 0.00 H new ATOM 0 HA VAL A 68 17.084 10.123 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 68 15.287 7.741 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.089 6.882 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.533 8.493 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.065 8.322 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.990 6.223 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.961 7.628 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.361 7.348 0.687 1.00 0.00 H new ATOM 1016 N HIS A 69 14.700 10.115 -2.713 1.00 0.00 N ATOM 1017 CA HIS A 69 13.410 10.510 -3.279 1.00 0.00 C ATOM 1018 C HIS A 69 12.559 9.260 -3.524 1.00 0.00 C ATOM 1019 O HIS A 69 13.057 8.287 -4.070 1.00 0.00 O ATOM 1020 CB HIS A 69 13.613 11.263 -4.600 1.00 0.00 C ATOM 1021 CG HIS A 69 14.285 12.598 -4.469 1.00 0.00 C ATOM 1022 ND1 HIS A 69 13.637 13.793 -4.696 1.00 0.00 N ATOM 1023 CD2 HIS A 69 15.573 12.918 -4.173 1.00 0.00 C ATOM 1024 CE1 HIS A 69 14.493 14.783 -4.549 1.00 0.00 C ATOM 1025 NE2 HIS A 69 15.671 14.278 -4.229 1.00 0.00 N ATOM 0 H HIS A 69 15.387 9.796 -3.396 1.00 0.00 H new ATOM 0 HA HIS A 69 12.902 11.170 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.204 10.639 -5.270 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.641 11.406 -5.073 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.368 12.226 -3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.269 15.833 -4.670 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.518 14.818 -4.052 1.00 0.00 H new ATOM 1034 N TRP A 70 11.293 9.316 -3.109 1.00 0.00 N ATOM 1035 CA TRP A 70 10.360 8.197 -3.270 1.00 0.00 C ATOM 1036 C TRP A 70 10.425 7.548 -4.654 1.00 0.00 C ATOM 1037 O TRP A 70 10.555 6.329 -4.773 1.00 0.00 O ATOM 1038 CB TRP A 70 8.923 8.668 -3.035 1.00 0.00 C ATOM 1039 CG TRP A 70 8.608 9.134 -1.632 1.00 0.00 C ATOM 1040 CD1 TRP A 70 8.835 10.384 -1.133 1.00 0.00 C ATOM 1041 CD2 TRP A 70 8.006 8.373 -0.604 1.00 0.00 C ATOM 1042 NE1 TRP A 70 8.383 10.436 0.168 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.881 9.213 0.516 1.00 0.00 C ATOM 1044 CE3 TRP A 70 7.550 7.058 -0.511 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.329 8.799 1.706 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 6.998 6.635 0.674 1.00 0.00 C ATOM 1047 CH2 TRP A 70 6.886 7.492 1.774 1.00 0.00 C ATOM 0 H TRP A 70 10.886 10.133 -2.654 1.00 0.00 H new ATOM 0 HA TRP A 70 10.659 7.453 -2.532 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.710 9.484 -3.726 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.246 7.852 -3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 70 9.294 11.200 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 70 8.418 11.256 0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 70 7.629 6.386 -1.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 7.245 9.467 2.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 6.643 5.619 0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 70 6.447 7.126 2.690 1.00 0.00 H new ATOM 1058 N HIS A 71 10.346 8.368 -5.677 1.00 0.00 N ATOM 1059 CA HIS A 71 10.125 7.881 -7.053 1.00 0.00 C ATOM 1060 C HIS A 71 11.314 7.140 -7.653 1.00 0.00 C ATOM 1061 O HIS A 71 11.224 6.700 -8.797 1.00 0.00 O ATOM 1062 CB HIS A 71 9.726 9.055 -7.976 1.00 0.00 C ATOM 1063 CG HIS A 71 10.783 10.110 -8.171 1.00 0.00 C ATOM 1064 ND1 HIS A 71 10.656 11.410 -7.719 1.00 0.00 N ATOM 1065 CD2 HIS A 71 11.995 10.052 -8.789 1.00 0.00 C ATOM 1066 CE1 HIS A 71 11.730 12.088 -8.066 1.00 0.00 C ATOM 1067 NE2 HIS A 71 12.560 11.295 -8.693 1.00 0.00 N ATOM 0 H HIS A 71 10.430 9.382 -5.599 1.00 0.00 H new ATOM 0 HA HIS A 71 9.316 7.154 -6.982 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.454 8.652 -8.952 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.834 9.529 -7.567 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.430 9.186 -9.266 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.899 13.135 -7.864 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.478 11.559 -9.052 1.00 0.00 H new ATOM 1076 N MET A 72 12.417 6.995 -6.923 1.00 0.00 N ATOM 1077 CA MET A 72 13.617 6.396 -7.518 1.00 0.00 C ATOM 1078 C MET A 72 13.982 5.034 -6.899 1.00 0.00 C ATOM 1079 O MET A 72 15.066 4.509 -7.160 1.00 0.00 O ATOM 1080 CB MET A 72 14.798 7.375 -7.434 1.00 0.00 C ATOM 1081 CG MET A 72 15.292 7.647 -6.024 1.00 0.00 C ATOM 1082 SD MET A 72 16.346 9.101 -5.928 1.00 0.00 S ATOM 1083 CE MET A 72 17.545 8.740 -7.204 1.00 0.00 C ATOM 0 H MET A 72 12.509 7.274 -5.946 1.00 0.00 H new ATOM 0 HA MET A 72 13.389 6.200 -8.566 1.00 0.00 H new ATOM 0 HB2 MET A 72 15.624 6.979 -8.025 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.503 8.320 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.436 7.779 -5.362 1.00 0.00 H new ATOM 0 HG3 MET A 72 15.843 6.779 -5.662 1.00 0.00 H new ATOM 0 HE1 MET A 72 18.364 9.457 -7.147 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.935 7.732 -7.062 1.00 0.00 H new ATOM 0 HE3 MET A 72 17.068 8.810 -8.182 1.00 0.00 H new ATOM 1093 N LEU A 73 13.096 4.460 -6.091 1.00 0.00 N ATOM 1094 CA LEU A 73 13.314 3.109 -5.588 1.00 0.00 C ATOM 1095 C LEU A 73 12.087 2.216 -5.788 1.00 0.00 C ATOM 1096 O LEU A 73 10.969 2.696 -5.971 1.00 0.00 O ATOM 1097 CB LEU A 73 13.789 3.056 -4.110 1.00 0.00 C ATOM 1098 CG LEU A 73 13.041 3.892 -3.040 1.00 0.00 C ATOM 1099 CD1 LEU A 73 13.292 5.359 -3.223 1.00 0.00 C ATOM 1100 CD2 LEU A 73 11.550 3.590 -3.033 1.00 0.00 C ATOM 0 H LEU A 73 12.233 4.902 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 73 14.133 2.717 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.756 2.014 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 73 14.835 3.362 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 73 13.439 3.602 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.754 5.918 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.360 5.559 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.945 5.667 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.060 4.195 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.127 3.825 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.394 2.534 -2.814 1.00 0.00 H new ATOM 1112 N GLU A 74 12.318 0.910 -5.760 1.00 0.00 N ATOM 1113 CA GLU A 74 11.264 -0.062 -5.954 1.00 0.00 C ATOM 1114 C GLU A 74 11.012 -0.823 -4.663 1.00 0.00 C ATOM 1115 O GLU A 74 11.880 -0.914 -3.799 1.00 0.00 O ATOM 1116 CB GLU A 74 11.678 -1.032 -7.077 1.00 0.00 C ATOM 1117 CG GLU A 74 10.640 -2.083 -7.401 1.00 0.00 C ATOM 1118 CD GLU A 74 11.096 -3.015 -8.497 1.00 0.00 C ATOM 1119 OE1 GLU A 74 11.883 -3.931 -8.194 1.00 0.00 O ATOM 1120 OE2 GLU A 74 10.674 -2.842 -9.653 1.00 0.00 O ATOM 0 H GLU A 74 13.239 0.501 -5.602 1.00 0.00 H new ATOM 0 HA GLU A 74 10.342 0.446 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.891 -0.457 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.605 -1.529 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.418 -2.661 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.713 -1.595 -7.703 1.00 0.00 H new ATOM 1127 N ILE A 75 9.817 -1.383 -4.540 1.00 0.00 N ATOM 1128 CA ILE A 75 9.449 -2.125 -3.348 1.00 0.00 C ATOM 1129 C ILE A 75 9.912 -3.572 -3.458 1.00 0.00 C ATOM 1130 O ILE A 75 9.578 -4.268 -4.420 1.00 0.00 O ATOM 1131 CB ILE A 75 7.930 -2.101 -3.125 1.00 0.00 C ATOM 1132 CG1 ILE A 75 7.400 -0.671 -3.231 1.00 0.00 C ATOM 1133 CG2 ILE A 75 7.559 -2.698 -1.775 1.00 0.00 C ATOM 1134 CD1 ILE A 75 7.998 0.263 -2.192 1.00 0.00 C ATOM 0 H ILE A 75 9.088 -1.336 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 75 9.938 -1.646 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 75 7.469 -2.711 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.615 -0.283 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.316 -0.682 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.477 -2.666 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.899 -3.732 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.035 -2.124 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.582 1.263 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.761 -0.104 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.080 0.301 -2.317 1.00 0.00 H new ATOM 1146 N LEU A 76 10.709 -4.005 -2.480 1.00 0.00 N ATOM 1147 CA LEU A 76 11.102 -5.401 -2.367 1.00 0.00 C ATOM 1148 C LEU A 76 10.246 -6.096 -1.321 1.00 0.00 C ATOM 1149 O LEU A 76 10.208 -7.324 -1.233 1.00 0.00 O ATOM 1150 CB LEU A 76 12.575 -5.545 -1.994 1.00 0.00 C ATOM 1151 CG LEU A 76 13.578 -5.026 -3.024 1.00 0.00 C ATOM 1152 CD1 LEU A 76 15.002 -5.241 -2.548 1.00 0.00 C ATOM 1153 CD2 LEU A 76 13.376 -5.697 -4.375 1.00 0.00 C ATOM 0 H LEU A 76 11.094 -3.401 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 76 10.952 -5.866 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.745 -5.020 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.783 -6.600 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 76 13.404 -3.956 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.697 -4.864 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.156 -4.708 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.177 -6.306 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.104 -5.308 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.511 -6.774 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.369 -5.491 -4.737 1.00 0.00 H new ATOM 1165 N GLY A 77 9.572 -5.273 -0.508 1.00 0.00 N ATOM 1166 CA GLY A 77 8.684 -5.784 0.509 1.00 0.00 C ATOM 1167 C GLY A 77 9.412 -6.617 1.551 1.00 0.00 C ATOM 1168 O GLY A 77 10.552 -6.315 1.917 1.00 0.00 O ATOM 0 H GLY A 77 9.633 -4.256 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.182 -4.951 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.910 -6.391 0.039 1.00 0.00 H new ATOM 1172 N PHE A 78 8.760 -7.665 2.000 1.00 0.00 N ATOM 1173 CA PHE A 78 9.379 -8.608 2.911 1.00 0.00 C ATOM 1174 C PHE A 78 9.582 -9.950 2.212 1.00 0.00 C ATOM 1175 O PHE A 78 9.815 -10.977 2.858 1.00 0.00 O ATOM 1176 CB PHE A 78 8.559 -8.758 4.198 1.00 0.00 C ATOM 1177 CG PHE A 78 7.087 -9.031 4.007 1.00 0.00 C ATOM 1178 CD1 PHE A 78 6.199 -7.994 3.800 1.00 0.00 C ATOM 1179 CD2 PHE A 78 6.609 -10.326 4.053 1.00 0.00 C ATOM 1180 CE1 PHE A 78 4.855 -8.243 3.641 1.00 0.00 C ATOM 1181 CE2 PHE A 78 5.270 -10.583 3.889 1.00 0.00 C ATOM 1182 CZ PHE A 78 4.381 -9.534 3.681 1.00 0.00 C ATOM 0 H PHE A 78 7.797 -7.889 1.749 1.00 0.00 H new ATOM 0 HA PHE A 78 10.356 -8.223 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.987 -9.569 4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.668 -7.846 4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.563 -6.978 3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.294 -11.144 4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.170 -7.423 3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.907 -11.600 3.922 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.327 -9.731 3.552 1.00 0.00 H new ATOM 1192 N GLU A 79 9.495 -9.920 0.894 1.00 0.00 N ATOM 1193 CA GLU A 79 9.793 -11.096 0.081 1.00 0.00 C ATOM 1194 C GLU A 79 11.292 -11.386 0.115 1.00 0.00 C ATOM 1195 O GLU A 79 11.727 -12.539 0.015 1.00 0.00 O ATOM 1196 CB GLU A 79 9.336 -10.908 -1.382 1.00 0.00 C ATOM 1197 CG GLU A 79 7.836 -10.809 -1.558 1.00 0.00 C ATOM 1198 CD GLU A 79 7.237 -9.558 -0.934 1.00 0.00 C ATOM 1199 OE1 GLU A 79 7.244 -8.503 -1.596 1.00 0.00 O ATOM 1200 OE2 GLU A 79 6.755 -9.615 0.222 1.00 0.00 O ATOM 0 H GLU A 79 9.221 -9.096 0.359 1.00 0.00 H new ATOM 0 HA GLU A 79 9.243 -11.938 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.797 -10.005 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.705 -11.744 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.601 -10.824 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.367 -11.688 -1.115 1.00 0.00 H new ATOM 1207 N GLU A 80 12.072 -10.340 0.301 1.00 0.00 N ATOM 1208 CA GLU A 80 13.512 -10.457 0.429 1.00 0.00 C ATOM 1209 C GLU A 80 13.901 -10.644 1.891 1.00 0.00 C ATOM 1210 O GLU A 80 15.063 -10.476 2.276 1.00 0.00 O ATOM 1211 CB GLU A 80 14.191 -9.200 -0.140 1.00 0.00 C ATOM 1212 CG GLU A 80 13.976 -8.993 -1.623 1.00 0.00 C ATOM 1213 CD GLU A 80 14.587 -10.095 -2.466 1.00 0.00 C ATOM 1214 OE1 GLU A 80 13.917 -11.109 -2.695 1.00 0.00 O ATOM 1215 OE2 GLU A 80 15.741 -9.923 -2.910 1.00 0.00 O ATOM 0 H GLU A 80 11.725 -9.383 0.368 1.00 0.00 H new ATOM 0 HA GLU A 80 13.845 -11.329 -0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.818 -8.326 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.262 -9.260 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.906 -8.938 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.406 -8.036 -1.918 1.00 0.00 H new TER 1222 GLU A 80