USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 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 71 HIS : no HD1:sc=-0.000583 K(o=-0.53,f=-1.5) USER MOD Set 1.2: A 72 MET CE :methyl 142:sc= -0.528 (180deg=-3.09!) USER MOD Set 2.1: A 34 TYR OH : rot 91:sc= 0.625 USER MOD Set 2.2: A 69 HIS : no HE2:sc= 0.524 K(o=1.1,f=-1.6) USER MOD Set 3.1: A 4 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 3.2: A 6 SER OG : rot -170:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0177 X(o=-0.018,f=-0.11) USER MOD Single : A 13 THR OG1 : rot -120:sc= 0.134 USER MOD Single : A 14 TYR OH : rot 96:sc= -0.918 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 89:sc= 1.01 USER MOD Single : A 23 GLN : amide:sc= -1.45! K(o=-1.5!,f=-0.0035) USER MOD Single : A 26 MET CE :methyl -119:sc= -0.0473 (180deg=-1.26) USER MOD Single : A 30 MET CE :methyl -127:sc= -0.481 (180deg=-6.82!) USER MOD Single : A 38 SER OG : rot 75:sc= 0.627 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 177:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.2!) USER MOD Single : A 50 ASN : amide:sc= -0.0361 K(o=-0.036,f=-0.58) USER MOD Single : A 56 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.9!) USER MOD Single : A 61 SER OG : rot 105:sc= 1.3 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 66 TYR OH : rot 26:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 14.477 3.613 -18.090 1.00 0.00 N ATOM 2 CA MET A 4 14.420 4.781 -17.228 1.00 0.00 C ATOM 3 C MET A 4 13.257 4.658 -16.259 1.00 0.00 C ATOM 4 O MET A 4 12.269 3.991 -16.561 1.00 0.00 O ATOM 5 CB MET A 4 14.264 6.041 -18.072 1.00 0.00 C ATOM 6 CG MET A 4 14.366 7.331 -17.286 1.00 0.00 C ATOM 7 SD MET A 4 13.997 8.795 -18.266 1.00 0.00 S ATOM 8 CE MET A 4 14.239 10.077 -17.057 1.00 0.00 C ATOM 0 HA MET A 4 15.347 4.846 -16.659 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.028 6.041 -18.849 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.297 6.011 -18.575 1.00 0.00 H new ATOM 0 HG2 MET A 4 13.681 7.287 -16.439 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.373 7.420 -16.877 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.738 10.987 -17.387 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.822 9.759 -16.101 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.305 10.271 -16.941 1.00 0.00 H new ATOM 18 N ARG A 5 13.364 5.308 -15.118 1.00 0.00 N ATOM 19 CA ARG A 5 12.296 5.304 -14.138 1.00 0.00 C ATOM 20 C ARG A 5 11.041 5.939 -14.714 1.00 0.00 C ATOM 21 O ARG A 5 9.918 5.599 -14.350 1.00 0.00 O ATOM 22 CB ARG A 5 12.772 6.029 -12.873 1.00 0.00 C ATOM 23 CG ARG A 5 11.769 6.071 -11.734 1.00 0.00 C ATOM 24 CD ARG A 5 10.833 7.262 -11.856 1.00 0.00 C ATOM 25 NE ARG A 5 11.563 8.516 -12.013 1.00 0.00 N ATOM 26 CZ ARG A 5 11.001 9.726 -12.041 1.00 0.00 C ATOM 27 NH1 ARG A 5 9.700 9.849 -11.838 1.00 0.00 N ATOM 28 NH2 ARG A 5 11.756 10.791 -12.213 1.00 0.00 N ATOM 0 H ARG A 5 14.185 5.849 -14.845 1.00 0.00 H new ATOM 0 HA ARG A 5 12.042 4.278 -13.873 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.681 5.545 -12.517 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.038 7.052 -13.139 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.187 5.149 -11.727 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.299 6.120 -10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.172 7.118 -12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.201 7.319 -10.970 1.00 0.00 H new ATOM 0 HE ARG A 5 12.577 8.464 -12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.131 9.021 -11.661 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.266 10.772 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.765 10.688 -12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.332 11.718 -12.235 1.00 0.00 H new ATOM 42 N SER A 6 11.231 6.867 -15.651 1.00 0.00 N ATOM 43 CA SER A 6 10.141 7.591 -16.270 1.00 0.00 C ATOM 44 C SER A 6 9.478 6.794 -17.410 1.00 0.00 C ATOM 45 O SER A 6 8.712 7.341 -18.189 1.00 0.00 O ATOM 46 CB SER A 6 10.646 8.941 -16.793 1.00 0.00 C ATOM 47 OG SER A 6 11.270 9.682 -15.756 1.00 0.00 O ATOM 0 H SER A 6 12.153 7.133 -15.998 1.00 0.00 H new ATOM 0 HA SER A 6 9.379 7.751 -15.507 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.353 8.779 -17.607 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.813 9.512 -17.203 1.00 0.00 H new ATOM 0 HG SER A 6 11.443 10.596 -16.065 1.00 0.00 H new ATOM 53 N GLU A 7 9.769 5.499 -17.510 1.00 0.00 N ATOM 54 CA GLU A 7 9.109 4.649 -18.492 1.00 0.00 C ATOM 55 C GLU A 7 7.673 4.329 -18.067 1.00 0.00 C ATOM 56 O GLU A 7 6.898 3.756 -18.834 1.00 0.00 O ATOM 57 CB GLU A 7 9.866 3.341 -18.707 1.00 0.00 C ATOM 58 CG GLU A 7 11.204 3.520 -19.408 1.00 0.00 C ATOM 59 CD GLU A 7 11.854 2.187 -19.721 1.00 0.00 C ATOM 60 OE1 GLU A 7 12.570 1.646 -18.864 1.00 0.00 O ATOM 61 OE2 GLU A 7 11.625 1.661 -20.827 1.00 0.00 O ATOM 0 H GLU A 7 10.454 5.019 -16.926 1.00 0.00 H new ATOM 0 HA GLU A 7 9.096 5.206 -19.429 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.032 2.864 -17.741 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.245 2.664 -19.294 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.059 4.080 -20.332 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.869 4.111 -18.778 1.00 0.00 H new ATOM 68 N PHE A 8 7.330 4.688 -16.846 1.00 0.00 N ATOM 69 CA PHE A 8 5.982 4.488 -16.321 1.00 0.00 C ATOM 70 C PHE A 8 5.034 5.525 -16.884 1.00 0.00 C ATOM 71 O PHE A 8 5.449 6.387 -17.658 1.00 0.00 O ATOM 72 CB PHE A 8 5.998 4.532 -14.802 1.00 0.00 C ATOM 73 CG PHE A 8 6.648 3.329 -14.188 1.00 0.00 C ATOM 74 CD1 PHE A 8 8.022 3.270 -14.024 1.00 0.00 C ATOM 75 CD2 PHE A 8 5.881 2.252 -13.772 1.00 0.00 C ATOM 76 CE1 PHE A 8 8.621 2.162 -13.465 1.00 0.00 C ATOM 77 CE2 PHE A 8 6.476 1.142 -13.203 1.00 0.00 C ATOM 78 CZ PHE A 8 7.843 1.094 -13.051 1.00 0.00 C ATOM 0 H PHE A 8 7.972 5.126 -16.186 1.00 0.00 H new ATOM 0 HA PHE A 8 5.627 3.505 -16.631 1.00 0.00 H new ATOM 0 HB2 PHE A 8 6.524 5.429 -14.476 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.975 4.612 -14.436 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.632 4.104 -14.339 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.808 2.281 -13.894 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.694 2.127 -13.350 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.868 0.311 -12.877 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.308 0.225 -12.610 1.00 0.00 H new ATOM 88 N ALA A 9 3.764 5.459 -16.489 1.00 0.00 N ATOM 89 CA ALA A 9 2.703 6.283 -17.085 1.00 0.00 C ATOM 90 C ALA A 9 3.072 7.757 -17.160 1.00 0.00 C ATOM 91 O ALA A 9 2.938 8.383 -18.203 1.00 0.00 O ATOM 92 CB ALA A 9 1.426 6.112 -16.296 1.00 0.00 C ATOM 0 H ALA A 9 3.438 4.837 -15.750 1.00 0.00 H new ATOM 0 HA ALA A 9 2.564 5.939 -18.110 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.640 6.724 -16.739 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.125 5.065 -16.314 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.591 6.424 -15.265 1.00 0.00 H new ATOM 98 N SER A 10 3.552 8.308 -16.071 1.00 0.00 N ATOM 99 CA SER A 10 4.000 9.692 -16.057 1.00 0.00 C ATOM 100 C SER A 10 5.331 9.799 -15.354 1.00 0.00 C ATOM 101 O SER A 10 5.816 10.908 -15.052 1.00 0.00 O ATOM 102 CB SER A 10 2.939 10.558 -15.392 1.00 0.00 C ATOM 103 OG SER A 10 1.681 10.477 -16.072 1.00 0.00 O ATOM 0 H SER A 10 3.645 7.823 -15.178 1.00 0.00 H new ATOM 0 HA SER A 10 4.140 10.048 -17.078 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.812 10.245 -14.356 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.276 11.595 -15.373 1.00 0.00 H new ATOM 0 HG SER A 10 1.025 11.044 -15.615 1.00 0.00 H new ATOM 109 N GLY A 11 5.958 8.665 -15.066 1.00 0.00 N ATOM 110 CA GLY A 11 7.226 8.651 -14.340 1.00 0.00 C ATOM 111 C GLY A 11 7.026 8.776 -12.847 1.00 0.00 C ATOM 112 O GLY A 11 7.515 7.968 -12.070 1.00 0.00 O ATOM 0 H GLY A 11 5.610 7.741 -15.324 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.758 7.725 -14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.854 9.470 -14.691 1.00 0.00 H new ATOM 116 N ASN A 12 6.290 9.795 -12.441 1.00 0.00 N ATOM 117 CA ASN A 12 5.988 10.043 -11.037 1.00 0.00 C ATOM 118 C ASN A 12 5.032 8.984 -10.503 1.00 0.00 C ATOM 119 O ASN A 12 5.007 8.703 -9.308 1.00 0.00 O ATOM 120 CB ASN A 12 5.400 11.438 -10.818 1.00 0.00 C ATOM 121 CG ASN A 12 4.042 11.619 -11.500 1.00 0.00 C ATOM 122 OD1 ASN A 12 3.960 11.963 -12.667 1.00 0.00 O ATOM 123 ND2 ASN A 12 2.971 11.414 -10.734 1.00 0.00 N ATOM 0 H ASN A 12 5.881 10.479 -13.077 1.00 0.00 H new ATOM 0 HA ASN A 12 6.928 9.989 -10.488 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.292 11.619 -9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.096 12.185 -11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.036 11.544 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.087 11.127 -9.762 1.00 0.00 H new ATOM 130 N THR A 13 4.259 8.396 -11.403 1.00 0.00 N ATOM 131 CA THR A 13 3.273 7.377 -11.033 1.00 0.00 C ATOM 132 C THR A 13 3.891 6.244 -10.220 1.00 0.00 C ATOM 133 O THR A 13 3.231 5.662 -9.340 1.00 0.00 O ATOM 134 CB THR A 13 2.661 6.784 -12.312 1.00 0.00 C ATOM 135 OG1 THR A 13 2.441 7.827 -13.266 1.00 0.00 O ATOM 136 CG2 THR A 13 1.343 6.069 -12.019 1.00 0.00 C ATOM 0 H THR A 13 4.292 8.604 -12.401 1.00 0.00 H new ATOM 0 HA THR A 13 2.514 7.860 -10.417 1.00 0.00 H new ATOM 0 HB THR A 13 3.360 6.052 -12.716 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.487 7.872 -13.487 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.937 5.661 -12.945 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.518 5.259 -11.312 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.632 6.776 -11.592 1.00 0.00 H new ATOM 144 N TYR A 14 5.160 5.935 -10.500 1.00 0.00 N ATOM 145 CA TYR A 14 5.857 4.882 -9.812 1.00 0.00 C ATOM 146 C TYR A 14 5.979 5.208 -8.320 1.00 0.00 C ATOM 147 O TYR A 14 5.815 4.341 -7.469 1.00 0.00 O ATOM 148 CB TYR A 14 7.227 4.671 -10.432 1.00 0.00 C ATOM 149 CG TYR A 14 7.908 3.415 -9.981 1.00 0.00 C ATOM 150 CD1 TYR A 14 7.186 2.232 -9.856 1.00 0.00 C ATOM 151 CD2 TYR A 14 9.259 3.395 -9.669 1.00 0.00 C ATOM 152 CE1 TYR A 14 7.787 1.061 -9.438 1.00 0.00 C ATOM 153 CE2 TYR A 14 9.866 2.216 -9.253 1.00 0.00 C ATOM 154 CZ TYR A 14 9.115 1.062 -9.147 1.00 0.00 C ATOM 155 OH TYR A 14 9.719 -0.108 -8.742 1.00 0.00 O ATOM 0 H TYR A 14 5.717 6.413 -11.208 1.00 0.00 H new ATOM 0 HA TYR A 14 5.287 3.958 -9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.125 4.648 -11.517 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.861 5.524 -10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.132 2.230 -10.091 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.842 4.300 -9.750 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.208 0.154 -9.343 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.919 2.202 -9.014 1.00 0.00 H new ATOM 0 HH TYR A 14 10.145 -0.540 -9.512 1.00 0.00 H new ATOM 165 N ALA A 15 6.247 6.469 -8.021 1.00 0.00 N ATOM 166 CA ALA A 15 6.363 6.954 -6.653 1.00 0.00 C ATOM 167 C ALA A 15 5.039 6.807 -5.916 1.00 0.00 C ATOM 168 O ALA A 15 5.023 6.594 -4.716 1.00 0.00 O ATOM 169 CB ALA A 15 6.809 8.403 -6.653 1.00 0.00 C ATOM 0 H ALA A 15 6.392 7.192 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 15 7.110 6.354 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.893 8.758 -5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.778 8.486 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.077 9.009 -7.187 1.00 0.00 H new ATOM 175 N LEU A 16 3.928 6.915 -6.649 1.00 0.00 N ATOM 176 CA LEU A 16 2.609 6.812 -6.049 1.00 0.00 C ATOM 177 C LEU A 16 2.381 5.376 -5.595 1.00 0.00 C ATOM 178 O LEU A 16 1.894 5.133 -4.492 1.00 0.00 O ATOM 179 CB LEU A 16 1.551 7.233 -7.067 1.00 0.00 C ATOM 180 CG LEU A 16 0.089 7.161 -6.593 1.00 0.00 C ATOM 181 CD1 LEU A 16 -0.146 8.097 -5.422 1.00 0.00 C ATOM 182 CD2 LEU A 16 -0.862 7.476 -7.727 1.00 0.00 C ATOM 0 H LEU A 16 3.922 7.073 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 16 2.536 7.472 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.761 8.257 -7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.656 6.604 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.106 6.142 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.187 8.029 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.505 7.815 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.074 9.121 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.889 7.419 -7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.664 8.481 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.719 6.756 -8.532 1.00 0.00 H new ATOM 194 N TYR A 17 2.764 4.447 -6.441 1.00 0.00 N ATOM 195 CA TYR A 17 2.636 3.024 -6.160 1.00 0.00 C ATOM 196 C TYR A 17 3.422 2.628 -4.910 1.00 0.00 C ATOM 197 O TYR A 17 2.871 2.023 -3.980 1.00 0.00 O ATOM 198 CB TYR A 17 3.096 2.212 -7.386 1.00 0.00 C ATOM 199 CG TYR A 17 3.337 0.745 -7.104 1.00 0.00 C ATOM 200 CD1 TYR A 17 2.318 -0.075 -6.643 1.00 0.00 C ATOM 201 CD2 TYR A 17 4.606 0.180 -7.292 1.00 0.00 C ATOM 202 CE1 TYR A 17 2.545 -1.420 -6.378 1.00 0.00 C ATOM 203 CE2 TYR A 17 4.832 -1.152 -7.024 1.00 0.00 C ATOM 204 CZ TYR A 17 3.801 -1.951 -6.568 1.00 0.00 C ATOM 205 OH TYR A 17 4.041 -3.280 -6.315 1.00 0.00 O ATOM 0 H TYR A 17 3.176 4.653 -7.351 1.00 0.00 H new ATOM 0 HA TYR A 17 1.588 2.801 -5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.344 2.301 -8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.015 2.651 -7.775 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.332 0.338 -6.488 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.416 0.797 -7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.739 -2.046 -6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.816 -1.572 -7.170 1.00 0.00 H new ATOM 0 HH TYR A 17 4.981 -3.484 -6.504 1.00 0.00 H new ATOM 215 N VAL A 18 4.698 2.955 -4.888 1.00 0.00 N ATOM 216 CA VAL A 18 5.540 2.605 -3.759 1.00 0.00 C ATOM 217 C VAL A 18 5.146 3.365 -2.495 1.00 0.00 C ATOM 218 O VAL A 18 4.990 2.756 -1.440 1.00 0.00 O ATOM 219 CB VAL A 18 7.051 2.811 -4.064 1.00 0.00 C ATOM 220 CG1 VAL A 18 7.487 1.895 -5.203 1.00 0.00 C ATOM 221 CG2 VAL A 18 7.364 4.256 -4.415 1.00 0.00 C ATOM 0 H VAL A 18 5.175 3.460 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 18 5.377 1.542 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 18 7.606 2.559 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.547 2.048 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.319 0.856 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.908 2.125 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.429 4.358 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.794 4.548 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.093 4.900 -3.579 1.00 0.00 H new ATOM 231 N ARG A 19 4.997 4.676 -2.601 1.00 0.00 N ATOM 232 CA ARG A 19 4.710 5.532 -1.434 1.00 0.00 C ATOM 233 C ARG A 19 3.443 5.124 -0.715 1.00 0.00 C ATOM 234 O ARG A 19 3.384 5.183 0.523 1.00 0.00 O ATOM 235 CB ARG A 19 4.648 6.987 -1.888 1.00 0.00 C ATOM 236 CG ARG A 19 4.244 7.975 -0.806 1.00 0.00 C ATOM 237 CD ARG A 19 4.311 9.395 -1.334 1.00 0.00 C ATOM 238 NE ARG A 19 3.656 10.357 -0.465 1.00 0.00 N ATOM 239 CZ ARG A 19 3.886 11.670 -0.477 1.00 0.00 C ATOM 240 NH1 ARG A 19 4.826 12.165 -1.283 1.00 0.00 N ATOM 241 NH2 ARG A 19 3.200 12.471 0.318 1.00 0.00 N ATOM 0 H ARG A 19 5.068 5.183 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 19 5.516 5.409 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.625 7.274 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.941 7.065 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.233 7.755 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.903 7.869 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.355 9.680 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.849 9.432 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 19 2.971 10.002 0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.363 11.540 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.008 13.169 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.492 12.085 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.378 13.475 0.307 1.00 0.00 H new ATOM 255 N ASP A 20 2.428 4.717 -1.469 1.00 0.00 N ATOM 256 CA ASP A 20 1.142 4.333 -0.890 1.00 0.00 C ATOM 257 C ASP A 20 1.227 2.986 -0.178 1.00 0.00 C ATOM 258 O ASP A 20 0.581 2.775 0.836 1.00 0.00 O ATOM 259 CB ASP A 20 0.078 4.282 -1.985 1.00 0.00 C ATOM 260 CG ASP A 20 -1.279 3.928 -1.433 1.00 0.00 C ATOM 261 OD1 ASP A 20 -1.973 4.828 -0.913 1.00 0.00 O ATOM 262 OD2 ASP A 20 -1.672 2.745 -1.508 1.00 0.00 O ATOM 0 H ASP A 20 2.469 4.644 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 20 0.868 5.083 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.025 5.249 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.366 3.548 -2.738 1.00 0.00 H new ATOM 267 N THR A 21 2.058 2.099 -0.692 1.00 0.00 N ATOM 268 CA THR A 21 2.068 0.711 -0.242 1.00 0.00 C ATOM 269 C THR A 21 3.202 0.425 0.739 1.00 0.00 C ATOM 270 O THR A 21 3.125 -0.498 1.539 1.00 0.00 O ATOM 271 CB THR A 21 2.189 -0.245 -1.448 1.00 0.00 C ATOM 272 OG1 THR A 21 1.324 0.188 -2.506 1.00 0.00 O ATOM 273 CG2 THR A 21 1.829 -1.669 -1.061 1.00 0.00 C ATOM 0 H THR A 21 2.738 2.311 -1.423 1.00 0.00 H new ATOM 0 HA THR A 21 1.124 0.543 0.276 1.00 0.00 H new ATOM 0 HB THR A 21 3.226 -0.227 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.800 0.825 -3.078 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.924 -2.318 -1.932 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.502 -2.014 -0.276 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.802 -1.699 -0.697 1.00 0.00 H new ATOM 281 N LEU A 22 4.263 1.226 0.679 1.00 0.00 N ATOM 282 CA LEU A 22 5.460 0.993 1.484 1.00 0.00 C ATOM 283 C LEU A 22 5.160 1.156 2.960 1.00 0.00 C ATOM 284 O LEU A 22 4.984 2.264 3.451 1.00 0.00 O ATOM 285 CB LEU A 22 6.561 1.946 1.061 1.00 0.00 C ATOM 286 CG LEU A 22 7.955 1.627 1.621 1.00 0.00 C ATOM 287 CD1 LEU A 22 8.399 0.228 1.203 1.00 0.00 C ATOM 288 CD2 LEU A 22 8.964 2.659 1.167 1.00 0.00 C ATOM 0 H LEU A 22 4.318 2.048 0.077 1.00 0.00 H new ATOM 0 HA LEU A 22 5.793 -0.032 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.617 1.950 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.285 2.954 1.370 1.00 0.00 H new ATOM 0 HG LEU A 22 7.897 1.658 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.389 0.023 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.691 -0.508 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.435 0.168 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.944 2.414 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.015 2.664 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.660 3.645 1.520 1.00 0.00 H new ATOM 300 N GLN A 23 5.054 0.021 3.651 1.00 0.00 N ATOM 301 CA GLN A 23 4.841 -0.007 5.080 1.00 0.00 C ATOM 302 C GLN A 23 6.174 -0.131 5.813 1.00 0.00 C ATOM 303 O GLN A 23 7.116 -0.731 5.297 1.00 0.00 O ATOM 304 CB GLN A 23 3.969 -1.196 5.453 1.00 0.00 C ATOM 305 CG GLN A 23 2.565 -1.130 4.862 1.00 0.00 C ATOM 306 CD GLN A 23 1.729 -2.322 5.271 1.00 0.00 C ATOM 307 OE1 GLN A 23 0.830 -2.739 4.542 1.00 0.00 O ATOM 308 NE2 GLN A 23 2.025 -2.876 6.453 1.00 0.00 N ATOM 0 H GLN A 23 5.115 -0.903 3.224 1.00 0.00 H new ATOM 0 HA GLN A 23 4.349 0.921 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.454 -2.112 5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.895 -1.256 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.075 -0.213 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.630 -1.087 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.781 -2.493 7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.495 -3.681 6.786 1.00 0.00 H new ATOM 317 N PRO A 24 6.267 0.456 7.023 1.00 0.00 N ATOM 318 CA PRO A 24 7.433 0.325 7.880 1.00 0.00 C ATOM 319 C PRO A 24 7.810 -1.138 8.080 1.00 0.00 C ATOM 320 O PRO A 24 7.053 -1.923 8.663 1.00 0.00 O ATOM 321 CB PRO A 24 6.990 0.960 9.190 1.00 0.00 C ATOM 322 CG PRO A 24 5.934 1.929 8.802 1.00 0.00 C ATOM 323 CD PRO A 24 5.232 1.292 7.626 1.00 0.00 C ATOM 0 HA PRO A 24 8.319 0.799 7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.605 0.211 9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.821 1.459 9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.242 2.109 9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.364 2.893 8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.373 0.701 7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.862 2.041 6.926 1.00 0.00 H new ATOM 331 N GLY A 25 8.991 -1.516 7.589 1.00 0.00 N ATOM 332 CA GLY A 25 9.439 -2.895 7.697 1.00 0.00 C ATOM 333 C GLY A 25 9.577 -3.540 6.333 1.00 0.00 C ATOM 334 O GLY A 25 10.027 -4.679 6.221 1.00 0.00 O ATOM 0 H GLY A 25 9.645 -0.890 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.397 -2.928 8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.731 -3.463 8.300 1.00 0.00 H new ATOM 338 N MET A 26 9.124 -2.842 5.317 1.00 0.00 N ATOM 339 CA MET A 26 9.314 -3.294 3.946 1.00 0.00 C ATOM 340 C MET A 26 10.682 -2.871 3.410 1.00 0.00 C ATOM 341 O MET A 26 11.125 -1.743 3.603 1.00 0.00 O ATOM 342 CB MET A 26 8.222 -2.752 3.025 1.00 0.00 C ATOM 343 CG MET A 26 6.845 -3.336 3.273 1.00 0.00 C ATOM 344 SD MET A 26 5.653 -2.690 2.088 1.00 0.00 S ATOM 345 CE MET A 26 4.207 -3.662 2.502 1.00 0.00 C ATOM 0 H MET A 26 8.621 -1.959 5.407 1.00 0.00 H new ATOM 0 HA MET A 26 9.257 -4.382 3.960 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.170 -1.669 3.141 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.506 -2.948 1.991 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.887 -4.423 3.198 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.522 -3.099 4.287 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.905 -4.252 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.442 -4.329 3.332 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.392 -2.998 2.790 1.00 0.00 H new ATOM 355 N ARG A 27 11.332 -3.801 2.742 1.00 0.00 N ATOM 356 CA ARG A 27 12.584 -3.517 2.070 1.00 0.00 C ATOM 357 C ARG A 27 12.359 -2.589 0.865 1.00 0.00 C ATOM 358 O ARG A 27 11.258 -2.453 0.344 1.00 0.00 O ATOM 359 CB ARG A 27 13.288 -4.792 1.610 1.00 0.00 C ATOM 360 CG ARG A 27 14.350 -5.287 2.572 1.00 0.00 C ATOM 361 CD ARG A 27 15.293 -6.261 1.884 1.00 0.00 C ATOM 362 NE ARG A 27 16.331 -6.742 2.783 1.00 0.00 N ATOM 363 CZ ARG A 27 17.523 -7.201 2.392 1.00 0.00 C ATOM 364 NH1 ARG A 27 17.802 -7.225 1.063 1.00 0.00 N ATOM 365 NH2 ARG A 27 18.416 -7.601 3.268 1.00 0.00 N ATOM 0 H ARG A 27 11.012 -4.765 2.649 1.00 0.00 H new ATOM 0 HA ARG A 27 13.226 -3.018 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.544 -5.576 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.747 -4.612 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.916 -4.441 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.876 -5.774 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.724 -7.108 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.754 -5.773 1.025 1.00 0.00 H new ATOM 0 HE ARG A 27 16.134 -6.728 3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.109 -6.897 0.390 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.705 -7.571 0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.204 -7.564 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.321 -7.949 2.951 1.00 0.00 H new ATOM 379 N VAL A 28 13.450 -1.953 0.438 1.00 0.00 N ATOM 380 CA VAL A 28 13.398 -1.087 -0.736 1.00 0.00 C ATOM 381 C VAL A 28 14.590 -1.371 -1.641 1.00 0.00 C ATOM 382 O VAL A 28 15.648 -1.786 -1.181 1.00 0.00 O ATOM 383 CB VAL A 28 13.402 0.421 -0.365 1.00 0.00 C ATOM 384 CG1 VAL A 28 12.222 0.759 0.557 1.00 0.00 C ATOM 385 CG2 VAL A 28 14.721 0.832 0.265 1.00 0.00 C ATOM 0 H VAL A 28 14.367 -2.020 0.881 1.00 0.00 H new ATOM 0 HA VAL A 28 12.461 -1.305 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 28 13.286 0.991 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.245 1.820 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.286 0.525 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.296 0.172 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.691 1.893 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.887 0.252 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.533 0.646 -0.438 1.00 0.00 H new ATOM 395 N ARG A 29 14.398 -1.150 -2.940 1.00 0.00 N ATOM 396 CA ARG A 29 15.463 -1.330 -3.929 1.00 0.00 C ATOM 397 C ARG A 29 15.652 -0.044 -4.731 1.00 0.00 C ATOM 398 O ARG A 29 14.690 0.494 -5.264 1.00 0.00 O ATOM 399 CB ARG A 29 15.106 -2.481 -4.865 1.00 0.00 C ATOM 400 CG ARG A 29 16.243 -2.924 -5.777 1.00 0.00 C ATOM 401 CD ARG A 29 15.806 -4.036 -6.709 1.00 0.00 C ATOM 402 NE ARG A 29 16.911 -4.571 -7.486 1.00 0.00 N ATOM 403 CZ ARG A 29 16.839 -4.893 -8.778 1.00 0.00 C ATOM 404 NH1 ARG A 29 15.690 -4.763 -9.430 1.00 0.00 N ATOM 405 NH2 ARG A 29 17.893 -5.372 -9.395 1.00 0.00 N ATOM 0 H ARG A 29 13.509 -0.844 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 29 16.395 -1.564 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.783 -3.333 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.257 -2.183 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.594 -2.074 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.084 -3.264 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.353 -4.838 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.038 -3.660 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 29 17.803 -4.710 -7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.863 -4.417 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.634 -5.009 -10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.768 -5.498 -8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.837 -5.618 -10.383 1.00 0.00 H new ATOM 419 N MET A 30 16.877 0.441 -4.798 1.00 0.00 N ATOM 420 CA MET A 30 17.163 1.658 -5.547 1.00 0.00 C ATOM 421 C MET A 30 17.216 1.355 -7.034 1.00 0.00 C ATOM 422 O MET A 30 17.993 0.521 -7.474 1.00 0.00 O ATOM 423 CB MET A 30 18.515 2.220 -5.080 1.00 0.00 C ATOM 424 CG MET A 30 18.906 3.529 -5.728 1.00 0.00 C ATOM 425 SD MET A 30 17.835 4.899 -5.254 1.00 0.00 S ATOM 426 CE MET A 30 18.724 6.283 -5.953 1.00 0.00 C ATOM 0 H MET A 30 17.688 0.017 -4.347 1.00 0.00 H new ATOM 0 HA MET A 30 16.376 2.391 -5.370 1.00 0.00 H new ATOM 0 HB2 MET A 30 18.483 2.359 -3.999 1.00 0.00 H new ATOM 0 HB3 MET A 30 19.291 1.482 -5.283 1.00 0.00 H new ATOM 0 HG2 MET A 30 19.934 3.769 -5.457 1.00 0.00 H new ATOM 0 HG3 MET A 30 18.880 3.413 -6.812 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.890 7.036 -5.182 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.684 5.941 -6.339 1.00 0.00 H new ATOM 0 HE3 MET A 30 18.141 6.718 -6.765 1.00 0.00 H new ATOM 436 N LEU A 31 16.376 2.039 -7.810 1.00 0.00 N ATOM 437 CA LEU A 31 16.337 1.802 -9.246 1.00 0.00 C ATOM 438 C LEU A 31 16.898 2.975 -10.038 1.00 0.00 C ATOM 439 O LEU A 31 17.012 2.923 -11.249 1.00 0.00 O ATOM 440 CB LEU A 31 14.904 1.521 -9.697 1.00 0.00 C ATOM 441 CG LEU A 31 14.232 0.305 -9.059 1.00 0.00 C ATOM 442 CD1 LEU A 31 12.840 0.126 -9.608 1.00 0.00 C ATOM 443 CD2 LEU A 31 15.053 -0.958 -9.312 1.00 0.00 C ATOM 0 H LEU A 31 15.725 2.749 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 31 16.965 0.934 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.297 2.401 -9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.903 1.387 -10.779 1.00 0.00 H new ATOM 0 HG LEU A 31 14.171 0.475 -7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.375 -0.744 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.246 1.014 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.891 -0.022 -10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.558 -1.812 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.140 -1.126 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.047 -0.838 -8.881 1.00 0.00 H new ATOM 455 N ASP A 32 17.246 4.043 -9.320 1.00 0.00 N ATOM 456 CA ASP A 32 17.749 5.248 -9.961 1.00 0.00 C ATOM 457 C ASP A 32 19.134 5.578 -9.426 1.00 0.00 C ATOM 458 O ASP A 32 19.701 4.832 -8.628 1.00 0.00 O ATOM 459 CB ASP A 32 16.786 6.411 -9.696 1.00 0.00 C ATOM 460 CG ASP A 32 16.767 7.428 -10.816 1.00 0.00 C ATOM 461 OD1 ASP A 32 17.672 8.301 -10.857 1.00 0.00 O ATOM 462 OD2 ASP A 32 15.850 7.382 -11.657 1.00 0.00 O ATOM 0 H ASP A 32 17.188 4.094 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 32 17.820 5.084 -11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.780 6.017 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.070 6.906 -8.767 1.00 0.00 H new ATOM 467 N ASP A 33 19.668 6.691 -9.885 1.00 0.00 N ATOM 468 CA ASP A 33 20.986 7.134 -9.448 1.00 0.00 C ATOM 469 C ASP A 33 20.895 8.511 -8.806 1.00 0.00 C ATOM 470 O ASP A 33 20.454 9.470 -9.438 1.00 0.00 O ATOM 471 CB ASP A 33 21.965 7.150 -10.620 1.00 0.00 C ATOM 472 CG ASP A 33 23.345 7.644 -10.226 1.00 0.00 C ATOM 473 OD1 ASP A 33 23.556 8.878 -10.209 1.00 0.00 O ATOM 474 OD2 ASP A 33 24.237 6.810 -9.960 1.00 0.00 O ATOM 0 H ASP A 33 19.215 7.308 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 33 21.358 6.430 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 33 22.048 6.144 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 33 21.568 7.787 -11.411 1.00 0.00 H new ATOM 479 N TYR A 34 21.317 8.604 -7.563 1.00 0.00 N ATOM 480 CA TYR A 34 21.179 9.847 -6.821 1.00 0.00 C ATOM 481 C TYR A 34 22.281 9.999 -5.780 1.00 0.00 C ATOM 482 O TYR A 34 22.272 9.345 -4.741 1.00 0.00 O ATOM 483 CB TYR A 34 19.806 9.908 -6.133 1.00 0.00 C ATOM 484 CG TYR A 34 19.572 11.147 -5.292 1.00 0.00 C ATOM 485 CD1 TYR A 34 19.513 12.406 -5.852 1.00 0.00 C ATOM 486 CD2 TYR A 34 19.397 11.033 -3.905 1.00 0.00 C ATOM 487 CE1 TYR A 34 19.283 13.534 -5.085 1.00 0.00 C ATOM 488 CE2 TYR A 34 19.175 12.148 -3.133 1.00 0.00 C ATOM 489 CZ TYR A 34 19.118 13.397 -3.714 1.00 0.00 C ATOM 490 OH TYR A 34 18.870 14.501 -2.930 1.00 0.00 O ATOM 0 H TYR A 34 21.756 7.843 -7.045 1.00 0.00 H new ATOM 0 HA TYR A 34 21.265 10.668 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.030 9.852 -6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.693 9.029 -5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 34 19.650 12.514 -6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 34 19.437 10.059 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 34 19.232 14.509 -5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 34 19.045 12.045 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 34 17.903 14.638 -2.855 1.00 0.00 H new ATOM 500 N GLU A 35 23.243 10.863 -6.091 1.00 0.00 N ATOM 501 CA GLU A 35 24.317 11.214 -5.166 1.00 0.00 C ATOM 502 C GLU A 35 25.087 9.988 -4.677 1.00 0.00 C ATOM 503 O GLU A 35 25.802 9.350 -5.451 1.00 0.00 O ATOM 504 CB GLU A 35 23.754 11.995 -3.972 1.00 0.00 C ATOM 505 CG GLU A 35 22.992 13.254 -4.354 1.00 0.00 C ATOM 506 CD GLU A 35 23.827 14.214 -5.162 1.00 0.00 C ATOM 507 OE1 GLU A 35 24.813 14.749 -4.609 1.00 0.00 O ATOM 508 OE2 GLU A 35 23.523 14.433 -6.353 1.00 0.00 O ATOM 0 H GLU A 35 23.300 11.340 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 35 25.021 11.841 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 35 23.092 11.341 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 35 24.576 12.268 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 35 22.106 12.979 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 35 22.645 13.753 -3.449 1.00 0.00 H new ATOM 515 N GLU A 36 24.950 9.684 -3.392 1.00 0.00 N ATOM 516 CA GLU A 36 25.697 8.603 -2.781 1.00 0.00 C ATOM 517 C GLU A 36 25.051 7.249 -3.047 1.00 0.00 C ATOM 518 O GLU A 36 25.680 6.208 -2.834 1.00 0.00 O ATOM 519 CB GLU A 36 25.792 8.839 -1.274 1.00 0.00 C ATOM 520 CG GLU A 36 26.563 10.087 -0.906 1.00 0.00 C ATOM 521 CD GLU A 36 26.590 10.307 0.594 1.00 0.00 C ATOM 522 OE1 GLU A 36 27.287 9.562 1.298 1.00 0.00 O ATOM 523 OE2 GLU A 36 25.917 11.243 1.073 1.00 0.00 O ATOM 0 H GLU A 36 24.324 10.176 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 36 26.693 8.590 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.786 8.908 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 36 26.269 7.976 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 36 27.584 10.008 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 36 26.111 10.951 -1.393 1.00 0.00 H new ATOM 530 N ILE A 37 23.808 7.243 -3.499 1.00 0.00 N ATOM 531 CA ILE A 37 23.110 6.000 -3.778 1.00 0.00 C ATOM 532 C ILE A 37 23.050 5.769 -5.280 1.00 0.00 C ATOM 533 O ILE A 37 23.027 6.731 -6.059 1.00 0.00 O ATOM 534 CB ILE A 37 21.663 6.007 -3.224 1.00 0.00 C ATOM 535 CG1 ILE A 37 21.596 6.651 -1.837 1.00 0.00 C ATOM 536 CG2 ILE A 37 21.096 4.594 -3.179 1.00 0.00 C ATOM 537 CD1 ILE A 37 22.431 5.968 -0.776 1.00 0.00 C ATOM 0 H ILE A 37 23.262 8.085 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 37 23.665 5.202 -3.285 1.00 0.00 H new ATOM 0 HB ILE A 37 21.056 6.607 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 37 21.917 7.689 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.557 6.664 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.079 4.622 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.086 4.174 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 37 21.717 3.973 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 37 22.319 6.496 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.098 4.937 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 37 23.479 5.978 -1.075 1.00 0.00 H new ATOM 549 N SER A 38 23.035 4.501 -5.694 1.00 0.00 N ATOM 550 CA SER A 38 23.026 4.178 -7.109 1.00 0.00 C ATOM 551 C SER A 38 22.157 2.948 -7.342 1.00 0.00 C ATOM 552 O SER A 38 21.749 2.273 -6.391 1.00 0.00 O ATOM 553 CB SER A 38 24.439 3.953 -7.615 1.00 0.00 C ATOM 554 OG SER A 38 24.471 4.019 -9.047 1.00 0.00 O ATOM 0 H SER A 38 23.029 3.693 -5.072 1.00 0.00 H new ATOM 0 HA SER A 38 22.607 5.015 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 38 25.107 4.705 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.802 2.981 -7.281 1.00 0.00 H new ATOM 0 HG SER A 38 24.390 4.953 -9.333 1.00 0.00 H new ATOM 560 N ALA A 39 21.876 2.659 -8.612 1.00 0.00 N ATOM 561 CA ALA A 39 20.952 1.610 -8.992 1.00 0.00 C ATOM 562 C ALA A 39 21.398 0.234 -8.489 1.00 0.00 C ATOM 563 O ALA A 39 22.540 -0.161 -8.651 1.00 0.00 O ATOM 564 CB ALA A 39 20.758 1.593 -10.495 1.00 0.00 C ATOM 0 H ALA A 39 22.288 3.152 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 39 19.998 1.831 -8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.061 0.799 -10.763 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.357 2.553 -10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 39 21.716 1.415 -10.984 1.00 0.00 H new ATOM 570 N GLY A 40 20.466 -0.461 -7.879 1.00 0.00 N ATOM 571 CA GLY A 40 20.697 -1.839 -7.452 1.00 0.00 C ATOM 572 C GLY A 40 20.881 -1.965 -5.943 1.00 0.00 C ATOM 573 O GLY A 40 20.811 -3.068 -5.395 1.00 0.00 O ATOM 0 H GLY A 40 19.536 -0.102 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.856 -2.458 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 40 21.582 -2.227 -7.955 1.00 0.00 H new ATOM 577 N ASP A 41 21.141 -0.856 -5.273 1.00 0.00 N ATOM 578 CA ASP A 41 21.302 -0.860 -3.827 1.00 0.00 C ATOM 579 C ASP A 41 19.989 -1.207 -3.157 1.00 0.00 C ATOM 580 O ASP A 41 18.908 -0.891 -3.694 1.00 0.00 O ATOM 581 CB ASP A 41 21.797 0.499 -3.322 1.00 0.00 C ATOM 582 CG ASP A 41 22.727 0.375 -2.132 1.00 0.00 C ATOM 583 OD1 ASP A 41 22.335 -0.232 -1.124 1.00 0.00 O ATOM 584 OD2 ASP A 41 23.859 0.896 -2.212 1.00 0.00 O ATOM 0 H ASP A 41 21.246 0.061 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 41 22.048 -1.613 -3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.314 1.016 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.940 1.114 -3.046 1.00 0.00 H new ATOM 589 N GLU A 42 20.044 -1.864 -2.018 1.00 0.00 N ATOM 590 CA GLU A 42 18.845 -2.264 -1.299 1.00 0.00 C ATOM 591 C GLU A 42 18.913 -1.793 0.144 1.00 0.00 C ATOM 592 O GLU A 42 19.996 -1.739 0.746 1.00 0.00 O ATOM 593 CB GLU A 42 18.643 -3.778 -1.337 1.00 0.00 C ATOM 594 CG GLU A 42 18.175 -4.288 -2.691 1.00 0.00 C ATOM 595 CD GLU A 42 18.170 -5.806 -2.753 1.00 0.00 C ATOM 596 OE1 GLU A 42 17.382 -6.437 -2.017 1.00 0.00 O ATOM 597 OE2 GLU A 42 18.965 -6.372 -3.540 1.00 0.00 O ATOM 0 H GLU A 42 20.915 -2.137 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 42 17.995 -1.796 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.580 -4.269 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.913 -4.059 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 42 17.172 -3.913 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 42 18.826 -3.895 -3.472 1.00 0.00 H new ATOM 604 N GLY A 43 17.759 -1.481 0.711 1.00 0.00 N ATOM 605 CA GLY A 43 17.717 -0.966 2.048 1.00 0.00 C ATOM 606 C GLY A 43 16.463 -1.361 2.790 1.00 0.00 C ATOM 607 O GLY A 43 15.556 -1.975 2.218 1.00 0.00 O ATOM 0 H GLY A 43 16.849 -1.579 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.587 -1.325 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.787 0.121 2.016 1.00 0.00 H new ATOM 611 N GLU A 44 16.418 -1.009 4.068 1.00 0.00 N ATOM 612 CA GLU A 44 15.275 -1.271 4.908 1.00 0.00 C ATOM 613 C GLU A 44 14.511 0.023 5.141 1.00 0.00 C ATOM 614 O GLU A 44 15.127 1.082 5.350 1.00 0.00 O ATOM 615 CB GLU A 44 15.747 -1.849 6.247 1.00 0.00 C ATOM 616 CG GLU A 44 14.625 -2.289 7.169 1.00 0.00 C ATOM 617 CD GLU A 44 13.875 -3.485 6.643 1.00 0.00 C ATOM 618 OE1 GLU A 44 12.970 -3.313 5.797 1.00 0.00 O ATOM 619 OE2 GLU A 44 14.193 -4.621 7.059 1.00 0.00 O ATOM 0 H GLU A 44 17.182 -0.531 4.546 1.00 0.00 H new ATOM 0 HA GLU A 44 14.618 -1.991 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 44 16.397 -2.702 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.350 -1.100 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.038 -2.527 8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.929 -1.462 7.308 1.00 0.00 H new ATOM 626 N PHE A 45 13.192 -0.031 5.136 1.00 0.00 N ATOM 627 CA PHE A 45 12.389 1.159 5.327 1.00 0.00 C ATOM 628 C PHE A 45 11.976 1.293 6.791 1.00 0.00 C ATOM 629 O PHE A 45 11.262 0.437 7.325 1.00 0.00 O ATOM 630 CB PHE A 45 11.154 1.128 4.445 1.00 0.00 C ATOM 631 CG PHE A 45 10.198 2.261 4.681 1.00 0.00 C ATOM 632 CD1 PHE A 45 10.541 3.558 4.324 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.971 2.024 5.246 1.00 0.00 C ATOM 634 CE1 PHE A 45 9.664 4.591 4.551 1.00 0.00 C ATOM 635 CE2 PHE A 45 8.092 3.054 5.477 1.00 0.00 C ATOM 636 CZ PHE A 45 8.438 4.345 5.136 1.00 0.00 C ATOM 0 H PHE A 45 12.655 -0.888 5.002 1.00 0.00 H new ATOM 0 HA PHE A 45 12.994 2.021 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.467 1.144 3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.630 0.186 4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.499 3.755 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.692 1.015 5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.935 5.598 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.130 2.853 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.754 5.159 5.326 1.00 0.00 H new ATOM 646 N ARG A 46 12.425 2.372 7.431 1.00 0.00 N ATOM 647 CA ARG A 46 12.164 2.565 8.836 1.00 0.00 C ATOM 648 C ARG A 46 11.111 3.632 9.077 1.00 0.00 C ATOM 649 O ARG A 46 10.162 3.429 9.836 1.00 0.00 O ATOM 650 CB ARG A 46 13.452 2.954 9.556 1.00 0.00 C ATOM 651 CG ARG A 46 14.512 1.857 9.525 1.00 0.00 C ATOM 652 CD ARG A 46 15.827 2.292 10.123 1.00 0.00 C ATOM 653 NE ARG A 46 15.701 2.633 11.546 1.00 0.00 N ATOM 654 CZ ARG A 46 16.650 2.426 12.448 1.00 0.00 C ATOM 655 NH1 ARG A 46 17.793 1.831 12.106 1.00 0.00 N ATOM 656 NH2 ARG A 46 16.454 2.786 13.699 1.00 0.00 N ATOM 0 H ARG A 46 12.967 3.116 6.992 1.00 0.00 H new ATOM 0 HA ARG A 46 11.785 1.622 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.858 3.856 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.222 3.199 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 46 14.143 0.987 10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.674 1.545 8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 46 16.560 1.494 10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 46 16.206 3.155 9.576 1.00 0.00 H new ATOM 0 HE ARG A 46 14.828 3.056 11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.943 1.531 11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.517 1.676 12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.574 3.223 13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.182 2.628 14.395 1.00 0.00 H new ATOM 670 N GLN A 47 11.253 4.761 8.411 1.00 0.00 N ATOM 671 CA GLN A 47 10.330 5.873 8.579 1.00 0.00 C ATOM 672 C GLN A 47 10.391 6.802 7.376 1.00 0.00 C ATOM 673 O GLN A 47 11.372 6.804 6.644 1.00 0.00 O ATOM 674 CB GLN A 47 10.650 6.650 9.857 1.00 0.00 C ATOM 675 CG GLN A 47 12.059 7.201 9.921 1.00 0.00 C ATOM 676 CD GLN A 47 12.321 7.939 11.220 1.00 0.00 C ATOM 677 OE1 GLN A 47 12.776 7.351 12.209 1.00 0.00 O ATOM 678 NE2 GLN A 47 12.012 9.229 11.238 1.00 0.00 N ATOM 0 H GLN A 47 12.004 4.936 7.743 1.00 0.00 H new ATOM 0 HA GLN A 47 9.321 5.468 8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.946 7.477 9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.490 5.996 10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.773 6.384 9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.223 7.876 9.081 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.639 9.676 10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.147 9.774 12.090 1.00 0.00 H new ATOM 687 N SER A 48 9.343 7.555 7.138 1.00 0.00 N ATOM 688 CA SER A 48 9.346 8.505 6.053 1.00 0.00 C ATOM 689 C SER A 48 8.644 9.784 6.457 1.00 0.00 C ATOM 690 O SER A 48 8.052 9.867 7.536 1.00 0.00 O ATOM 691 CB SER A 48 8.637 7.901 4.838 1.00 0.00 C ATOM 692 OG SER A 48 7.301 7.521 5.150 1.00 0.00 O ATOM 0 H SER A 48 8.480 7.528 7.680 1.00 0.00 H new ATOM 0 HA SER A 48 10.381 8.737 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.630 8.624 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.192 7.031 4.487 1.00 0.00 H new ATOM 0 HG SER A 48 6.861 7.179 4.344 1.00 0.00 H new ATOM 698 N ASN A 49 8.758 10.789 5.599 1.00 0.00 N ATOM 699 CA ASN A 49 7.980 11.995 5.764 1.00 0.00 C ATOM 700 C ASN A 49 6.678 11.840 4.989 1.00 0.00 C ATOM 701 O ASN A 49 6.678 11.814 3.753 1.00 0.00 O ATOM 702 CB ASN A 49 8.752 13.228 5.288 1.00 0.00 C ATOM 703 CG ASN A 49 9.906 13.597 6.210 1.00 0.00 C ATOM 704 OD1 ASN A 49 10.935 14.099 5.752 1.00 0.00 O ATOM 705 ND2 ASN A 49 9.741 13.391 7.504 1.00 0.00 N ATOM 0 H ASN A 49 9.379 10.788 4.790 1.00 0.00 H new ATOM 0 HA ASN A 49 7.767 12.144 6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.139 13.044 4.286 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.068 14.073 5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.478 13.650 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.876 12.973 7.848 1.00 0.00 H new ATOM 712 N ASN A 50 5.587 11.706 5.693 1.00 0.00 N ATOM 713 CA ASN A 50 4.298 11.417 5.070 1.00 0.00 C ATOM 714 C ASN A 50 3.702 12.656 4.401 1.00 0.00 C ATOM 715 O ASN A 50 2.473 12.777 4.307 1.00 0.00 O ATOM 716 CB ASN A 50 3.323 10.853 6.098 1.00 0.00 C ATOM 717 CG ASN A 50 3.091 11.782 7.280 1.00 0.00 C ATOM 718 OD1 ASN A 50 3.855 11.771 8.234 1.00 0.00 O ATOM 719 ND2 ASN A 50 2.009 12.561 7.246 1.00 0.00 N ATOM 0 H ASN A 50 5.553 11.791 6.709 1.00 0.00 H new ATOM 0 HA ASN A 50 4.469 10.670 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.369 10.651 5.611 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.703 9.899 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.797 13.174 8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.394 12.544 6.433 1.00 0.00 H new ATOM 726 N GLY A 51 4.531 13.543 3.896 1.00 0.00 N ATOM 727 CA GLY A 51 4.061 14.761 3.274 1.00 0.00 C ATOM 728 C GLY A 51 5.135 15.419 2.445 1.00 0.00 C ATOM 729 O GLY A 51 4.840 16.082 1.452 1.00 0.00 O ATOM 0 H GLY A 51 5.546 13.441 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.201 14.538 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.721 15.454 4.044 1.00 0.00 H new ATOM 733 N VAL A 52 6.382 15.255 2.873 1.00 0.00 N ATOM 734 CA VAL A 52 7.544 15.763 2.131 1.00 0.00 C ATOM 735 C VAL A 52 8.272 14.592 1.453 1.00 0.00 C ATOM 736 O VAL A 52 8.343 13.498 2.023 1.00 0.00 O ATOM 737 CB VAL A 52 8.510 16.516 3.081 1.00 0.00 C ATOM 738 CG1 VAL A 52 9.392 17.505 2.330 1.00 0.00 C ATOM 739 CG2 VAL A 52 7.746 17.222 4.183 1.00 0.00 C ATOM 0 H VAL A 52 6.621 14.770 3.738 1.00 0.00 H new ATOM 0 HA VAL A 52 7.200 16.463 1.370 1.00 0.00 H new ATOM 0 HB VAL A 52 9.162 15.768 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.053 18.010 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.989 16.971 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.766 18.242 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.447 17.743 4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.056 17.942 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.185 16.490 4.764 1.00 0.00 H new ATOM 749 N PRO A 53 8.817 14.806 0.238 1.00 0.00 N ATOM 750 CA PRO A 53 9.533 13.775 -0.531 1.00 0.00 C ATOM 751 C PRO A 53 10.576 12.938 0.243 1.00 0.00 C ATOM 752 O PRO A 53 10.690 11.739 -0.008 1.00 0.00 O ATOM 753 CB PRO A 53 10.233 14.550 -1.629 1.00 0.00 C ATOM 754 CG PRO A 53 9.444 15.808 -1.804 1.00 0.00 C ATOM 755 CD PRO A 53 8.705 16.058 -0.514 1.00 0.00 C ATOM 0 HA PRO A 53 8.810 13.030 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.265 14.770 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.264 13.976 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.102 16.645 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.745 15.710 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.144 16.890 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.662 16.314 -0.700 1.00 0.00 H new ATOM 763 N PRO A 54 11.409 13.529 1.153 1.00 0.00 N ATOM 764 CA PRO A 54 12.445 12.788 1.870 1.00 0.00 C ATOM 765 C PRO A 54 11.915 11.549 2.607 1.00 0.00 C ATOM 766 O PRO A 54 10.937 11.591 3.351 1.00 0.00 O ATOM 767 CB PRO A 54 13.021 13.809 2.860 1.00 0.00 C ATOM 768 CG PRO A 54 12.075 14.958 2.865 1.00 0.00 C ATOM 769 CD PRO A 54 11.439 14.963 1.497 1.00 0.00 C ATOM 0 HA PRO A 54 13.186 12.389 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.114 13.376 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.018 14.127 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.324 14.844 3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.597 15.895 3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.439 15.397 1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.023 15.540 0.780 1.00 0.00 H new ATOM 777 N VAL A 55 12.606 10.445 2.383 1.00 0.00 N ATOM 778 CA VAL A 55 12.256 9.183 3.036 1.00 0.00 C ATOM 779 C VAL A 55 13.502 8.596 3.716 1.00 0.00 C ATOM 780 O VAL A 55 14.605 8.625 3.165 1.00 0.00 O ATOM 781 CB VAL A 55 11.679 8.154 2.028 1.00 0.00 C ATOM 782 CG1 VAL A 55 12.627 7.911 0.867 1.00 0.00 C ATOM 783 CG2 VAL A 55 11.346 6.844 2.728 1.00 0.00 C ATOM 0 H VAL A 55 13.410 10.390 1.758 1.00 0.00 H new ATOM 0 HA VAL A 55 11.485 9.391 3.778 1.00 0.00 H new ATOM 0 HB VAL A 55 10.760 8.576 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 55 12.187 7.185 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.802 8.848 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.574 7.526 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.943 6.137 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.250 6.430 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.606 7.026 3.508 1.00 0.00 H new ATOM 793 N GLN A 56 13.344 8.081 4.926 1.00 0.00 N ATOM 794 CA GLN A 56 14.450 7.597 5.713 1.00 0.00 C ATOM 795 C GLN A 56 14.625 6.089 5.518 1.00 0.00 C ATOM 796 O GLN A 56 13.816 5.288 6.004 1.00 0.00 O ATOM 797 CB GLN A 56 14.243 7.922 7.189 1.00 0.00 C ATOM 798 CG GLN A 56 15.358 7.382 8.082 1.00 0.00 C ATOM 799 CD GLN A 56 16.695 8.071 7.827 1.00 0.00 C ATOM 800 OE1 GLN A 56 17.470 7.643 6.964 1.00 0.00 O ATOM 801 NE2 GLN A 56 16.992 9.092 8.590 1.00 0.00 N ATOM 0 H GLN A 56 12.438 7.990 5.385 1.00 0.00 H new ATOM 0 HA GLN A 56 15.357 8.099 5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.179 9.003 7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.290 7.507 7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.078 7.514 9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.467 6.311 7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.326 9.416 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.890 9.564 8.484 1.00 0.00 H new ATOM 810 N VAL A 57 15.679 5.713 4.814 1.00 0.00 N ATOM 811 CA VAL A 57 15.933 4.310 4.506 1.00 0.00 C ATOM 812 C VAL A 57 17.290 3.894 5.052 1.00 0.00 C ATOM 813 O VAL A 57 18.261 4.645 4.921 1.00 0.00 O ATOM 814 CB VAL A 57 15.885 4.053 2.986 1.00 0.00 C ATOM 815 CG1 VAL A 57 16.225 2.599 2.666 1.00 0.00 C ATOM 816 CG2 VAL A 57 14.523 4.419 2.429 1.00 0.00 C ATOM 0 H VAL A 57 16.376 6.359 4.443 1.00 0.00 H new ATOM 0 HA VAL A 57 15.151 3.716 4.979 1.00 0.00 H new ATOM 0 HB VAL A 57 16.635 4.686 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.184 2.445 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.228 2.372 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.506 1.941 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.507 4.232 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.757 3.815 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.325 5.474 2.616 1.00 0.00 H new ATOM 826 N PHE A 58 17.360 2.724 5.647 1.00 0.00 N ATOM 827 CA PHE A 58 18.628 2.181 6.080 1.00 0.00 C ATOM 828 C PHE A 58 19.211 1.298 4.982 1.00 0.00 C ATOM 829 O PHE A 58 18.690 0.230 4.699 1.00 0.00 O ATOM 830 CB PHE A 58 18.465 1.378 7.377 1.00 0.00 C ATOM 831 CG PHE A 58 19.759 0.911 7.985 1.00 0.00 C ATOM 832 CD1 PHE A 58 20.380 -0.237 7.551 1.00 0.00 C ATOM 833 CD2 PHE A 58 20.350 1.627 9.019 1.00 0.00 C ATOM 834 CE1 PHE A 58 21.558 -0.675 8.116 1.00 0.00 C ATOM 835 CE2 PHE A 58 21.532 1.206 9.602 1.00 0.00 C ATOM 836 CZ PHE A 58 22.131 0.049 9.145 1.00 0.00 C ATOM 0 H PHE A 58 16.554 2.130 5.842 1.00 0.00 H new ATOM 0 HA PHE A 58 19.311 3.007 6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 58 17.936 1.992 8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 58 17.838 0.510 7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.934 -0.808 6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.877 2.530 9.375 1.00 0.00 H new ATOM 0 HE1 PHE A 58 22.030 -1.578 7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 58 21.980 1.775 10.404 1.00 0.00 H new ATOM 0 HZ PHE A 58 23.052 -0.292 9.594 1.00 0.00 H new ATOM 846 N TRP A 59 20.281 1.771 4.365 1.00 0.00 N ATOM 847 CA TRP A 59 20.871 1.041 3.256 1.00 0.00 C ATOM 848 C TRP A 59 21.744 -0.089 3.769 1.00 0.00 C ATOM 849 O TRP A 59 22.762 0.155 4.409 1.00 0.00 O ATOM 850 CB TRP A 59 21.666 1.987 2.354 1.00 0.00 C ATOM 851 CG TRP A 59 20.785 2.953 1.628 1.00 0.00 C ATOM 852 CD1 TRP A 59 20.620 4.280 1.909 1.00 0.00 C ATOM 853 CD2 TRP A 59 19.923 2.675 0.514 1.00 0.00 C ATOM 854 NE1 TRP A 59 19.725 4.836 1.037 1.00 0.00 N ATOM 855 CE2 TRP A 59 19.275 3.874 0.182 1.00 0.00 C ATOM 856 CE3 TRP A 59 19.640 1.534 -0.219 1.00 0.00 C ATOM 857 CZ2 TRP A 59 18.369 3.959 -0.870 1.00 0.00 C ATOM 858 CZ3 TRP A 59 18.733 1.618 -1.258 1.00 0.00 C ATOM 859 CH2 TRP A 59 18.121 2.823 -1.583 1.00 0.00 C ATOM 0 H TRP A 59 20.752 2.642 4.608 1.00 0.00 H new ATOM 0 HA TRP A 59 20.070 0.604 2.661 1.00 0.00 H new ATOM 0 HB2 TRP A 59 22.388 2.539 2.956 1.00 0.00 H new ATOM 0 HB3 TRP A 59 22.235 1.403 1.631 1.00 0.00 H new ATOM 0 HD1 TRP A 59 21.123 4.812 2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 59 19.439 5.815 1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.120 0.596 0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 17.880 4.891 -1.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 18.495 0.732 -1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 59 17.435 2.860 -2.417 1.00 0.00 H new ATOM 870 N GLU A 60 21.320 -1.311 3.490 1.00 0.00 N ATOM 871 CA GLU A 60 22.014 -2.508 3.960 1.00 0.00 C ATOM 872 C GLU A 60 23.450 -2.529 3.450 1.00 0.00 C ATOM 873 O GLU A 60 24.386 -2.780 4.211 1.00 0.00 O ATOM 874 CB GLU A 60 21.290 -3.765 3.478 1.00 0.00 C ATOM 875 CG GLU A 60 19.891 -3.945 4.018 1.00 0.00 C ATOM 876 CD GLU A 60 19.851 -4.242 5.500 1.00 0.00 C ATOM 877 OE1 GLU A 60 20.511 -5.214 5.927 1.00 0.00 O ATOM 878 OE2 GLU A 60 19.136 -3.532 6.242 1.00 0.00 O ATOM 0 H GLU A 60 20.488 -1.505 2.933 1.00 0.00 H new ATOM 0 HA GLU A 60 22.021 -2.489 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 60 21.243 -3.743 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 60 21.884 -4.636 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.315 -3.041 3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.404 -4.758 3.479 1.00 0.00 H new ATOM 885 N SER A 61 23.589 -2.262 2.164 1.00 0.00 N ATOM 886 CA SER A 61 24.888 -2.314 1.501 1.00 0.00 C ATOM 887 C SER A 61 25.890 -1.371 2.185 1.00 0.00 C ATOM 888 O SER A 61 27.055 -1.722 2.383 1.00 0.00 O ATOM 889 CB SER A 61 24.716 -1.933 0.035 1.00 0.00 C ATOM 890 OG SER A 61 23.498 -2.452 -0.484 1.00 0.00 O ATOM 0 H SER A 61 22.815 -2.005 1.551 1.00 0.00 H new ATOM 0 HA SER A 61 25.283 -3.327 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 61 24.726 -0.848 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 61 25.556 -2.315 -0.545 1.00 0.00 H new ATOM 0 HG SER A 61 22.844 -1.727 -0.569 1.00 0.00 H new ATOM 896 N THR A 62 25.411 -0.195 2.567 1.00 0.00 N ATOM 897 CA THR A 62 26.261 0.825 3.179 1.00 0.00 C ATOM 898 C THR A 62 26.344 0.650 4.690 1.00 0.00 C ATOM 899 O THR A 62 27.415 0.693 5.290 1.00 0.00 O ATOM 900 CB THR A 62 25.726 2.231 2.863 1.00 0.00 C ATOM 901 OG1 THR A 62 25.326 2.315 1.483 1.00 0.00 O ATOM 902 CG2 THR A 62 26.766 3.294 3.151 1.00 0.00 C ATOM 0 H THR A 62 24.434 0.080 2.464 1.00 0.00 H new ATOM 0 HA THR A 62 27.260 0.708 2.759 1.00 0.00 H new ATOM 0 HB THR A 62 24.863 2.407 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.986 3.215 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 62 26.356 4.277 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 62 27.042 3.257 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 62 27.649 3.114 2.538 1.00 0.00 H new ATOM 910 N GLY A 63 25.181 0.439 5.310 1.00 0.00 N ATOM 911 CA GLY A 63 25.114 0.278 6.745 1.00 0.00 C ATOM 912 C GLY A 63 24.743 1.559 7.463 1.00 0.00 C ATOM 913 O GLY A 63 24.981 1.709 8.658 1.00 0.00 O ATOM 0 H GLY A 63 24.281 0.377 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.382 -0.493 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 63 26.079 -0.073 7.112 1.00 0.00 H new ATOM 917 N ARG A 64 24.140 2.506 6.737 1.00 0.00 N ATOM 918 CA ARG A 64 23.748 3.786 7.323 1.00 0.00 C ATOM 919 C ARG A 64 22.337 4.170 6.881 1.00 0.00 C ATOM 920 O ARG A 64 21.823 3.642 5.886 1.00 0.00 O ATOM 921 CB ARG A 64 24.714 4.911 6.916 1.00 0.00 C ATOM 922 CG ARG A 64 26.081 4.837 7.583 1.00 0.00 C ATOM 923 CD ARG A 64 27.037 3.936 6.830 1.00 0.00 C ATOM 924 NE ARG A 64 28.296 3.758 7.543 1.00 0.00 N ATOM 925 CZ ARG A 64 29.492 3.973 7.002 1.00 0.00 C ATOM 926 NH1 ARG A 64 29.603 4.428 5.766 1.00 0.00 N ATOM 927 NH2 ARG A 64 30.593 3.745 7.709 1.00 0.00 N ATOM 0 H ARG A 64 23.915 2.408 5.747 1.00 0.00 H new ATOM 0 HA ARG A 64 23.779 3.665 8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.849 4.884 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.257 5.871 7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 64 26.505 5.839 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.966 4.470 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.570 2.964 6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 64 27.235 4.360 5.845 1.00 0.00 H new ATOM 0 HE ARG A 64 28.257 3.450 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 64 28.766 4.618 5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 64 30.526 4.589 5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 64 30.522 3.405 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 64 31.510 3.910 7.293 1.00 0.00 H new ATOM 941 N THR A 65 21.709 5.074 7.614 1.00 0.00 N ATOM 942 CA THR A 65 20.416 5.629 7.233 1.00 0.00 C ATOM 943 C THR A 65 20.605 6.854 6.351 1.00 0.00 C ATOM 944 O THR A 65 21.534 7.645 6.542 1.00 0.00 O ATOM 945 CB THR A 65 19.588 5.994 8.475 1.00 0.00 C ATOM 946 OG1 THR A 65 20.445 6.150 9.614 1.00 0.00 O ATOM 947 CG2 THR A 65 18.547 4.923 8.760 1.00 0.00 C ATOM 0 H THR A 65 22.078 5.445 8.489 1.00 0.00 H new ATOM 0 HA THR A 65 19.874 4.869 6.671 1.00 0.00 H new ATOM 0 HB THR A 65 19.077 6.936 8.279 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.907 6.384 10.399 1.00 0.00 H new ATOM 0 HG21 THR A 65 17.972 5.201 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 65 17.877 4.830 7.905 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.045 3.969 8.936 1.00 0.00 H new ATOM 955 N TYR A 66 19.711 7.006 5.395 1.00 0.00 N ATOM 956 CA TYR A 66 19.843 8.043 4.385 1.00 0.00 C ATOM 957 C TYR A 66 18.451 8.505 3.914 1.00 0.00 C ATOM 958 O TYR A 66 17.519 7.691 3.839 1.00 0.00 O ATOM 959 CB TYR A 66 20.643 7.510 3.201 1.00 0.00 C ATOM 960 CG TYR A 66 21.297 8.583 2.366 1.00 0.00 C ATOM 961 CD1 TYR A 66 22.455 9.207 2.815 1.00 0.00 C ATOM 962 CD2 TYR A 66 20.792 8.958 1.130 1.00 0.00 C ATOM 963 CE1 TYR A 66 23.091 10.172 2.077 1.00 0.00 C ATOM 964 CE2 TYR A 66 21.426 9.927 0.370 1.00 0.00 C ATOM 965 CZ TYR A 66 22.577 10.530 0.849 1.00 0.00 C ATOM 966 OH TYR A 66 23.215 11.499 0.102 1.00 0.00 O ATOM 0 H TYR A 66 18.880 6.423 5.294 1.00 0.00 H new ATOM 0 HA TYR A 66 20.368 8.895 4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 66 21.413 6.833 3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 66 19.982 6.922 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 66 22.866 8.924 3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 66 19.894 8.489 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 66 23.985 10.646 2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 66 21.025 10.211 -0.592 1.00 0.00 H new ATOM 0 HH TYR A 66 24.164 11.526 0.343 1.00 0.00 H new ATOM 976 N TRP A 67 18.325 9.787 3.608 1.00 0.00 N ATOM 977 CA TRP A 67 17.065 10.313 3.091 1.00 0.00 C ATOM 978 C TRP A 67 17.078 10.277 1.568 1.00 0.00 C ATOM 979 O TRP A 67 17.884 10.933 0.932 1.00 0.00 O ATOM 980 CB TRP A 67 16.812 11.743 3.569 1.00 0.00 C ATOM 981 CG TRP A 67 16.385 11.840 5.007 1.00 0.00 C ATOM 982 CD1 TRP A 67 15.122 11.640 5.486 1.00 0.00 C ATOM 983 CD2 TRP A 67 17.203 12.164 6.140 1.00 0.00 C ATOM 984 NE1 TRP A 67 15.099 11.827 6.847 1.00 0.00 N ATOM 985 CE2 TRP A 67 16.362 12.158 7.271 1.00 0.00 C ATOM 986 CE3 TRP A 67 18.554 12.476 6.299 1.00 0.00 C ATOM 987 CZ2 TRP A 67 16.848 12.425 8.559 1.00 0.00 C ATOM 988 CZ3 TRP A 67 19.028 12.753 7.570 1.00 0.00 C ATOM 989 CH2 TRP A 67 18.181 12.707 8.686 1.00 0.00 C ATOM 0 H TRP A 67 19.069 10.478 3.706 1.00 0.00 H new ATOM 0 HA TRP A 67 16.260 9.684 3.471 1.00 0.00 H new ATOM 0 HB2 TRP A 67 17.721 12.328 3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 67 16.044 12.195 2.941 1.00 0.00 H new ATOM 0 HD1 TRP A 67 14.266 11.374 4.883 1.00 0.00 H new ATOM 0 HE1 TRP A 67 14.278 11.735 7.445 1.00 0.00 H new ATOM 0 HE3 TRP A 67 19.217 12.501 5.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 16.195 12.409 9.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 20.069 13.009 7.704 1.00 0.00 H new ATOM 0 HH2 TRP A 67 18.589 12.898 9.667 1.00 0.00 H new ATOM 1000 N VAL A 68 16.192 9.495 1.002 1.00 0.00 N ATOM 1001 CA VAL A 68 16.114 9.360 -0.440 1.00 0.00 C ATOM 1002 C VAL A 68 14.823 9.995 -0.946 1.00 0.00 C ATOM 1003 O VAL A 68 14.023 10.475 -0.152 1.00 0.00 O ATOM 1004 CB VAL A 68 16.165 7.866 -0.848 1.00 0.00 C ATOM 1005 CG1 VAL A 68 16.685 7.686 -2.267 1.00 0.00 C ATOM 1006 CG2 VAL A 68 16.994 7.048 0.127 1.00 0.00 C ATOM 0 H VAL A 68 15.510 8.938 1.517 1.00 0.00 H new ATOM 0 HA VAL A 68 16.967 9.870 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 68 15.140 7.497 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.706 6.625 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.030 8.209 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.693 8.095 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.007 6.006 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.013 7.433 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.557 7.117 1.123 1.00 0.00 H new ATOM 1016 N HIS A 69 14.626 10.049 -2.259 1.00 0.00 N ATOM 1017 CA HIS A 69 13.371 10.514 -2.831 1.00 0.00 C ATOM 1018 C HIS A 69 12.504 9.316 -3.249 1.00 0.00 C ATOM 1019 O HIS A 69 13.020 8.346 -3.809 1.00 0.00 O ATOM 1020 CB HIS A 69 13.628 11.418 -4.053 1.00 0.00 C ATOM 1021 CG HIS A 69 14.378 12.674 -3.743 1.00 0.00 C ATOM 1022 ND1 HIS A 69 13.813 13.921 -3.832 1.00 0.00 N ATOM 1023 CD2 HIS A 69 15.658 12.872 -3.388 1.00 0.00 C ATOM 1024 CE1 HIS A 69 14.723 14.832 -3.543 1.00 0.00 C ATOM 1025 NE2 HIS A 69 15.856 14.217 -3.264 1.00 0.00 N ATOM 0 H HIS A 69 15.325 9.774 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 69 12.846 11.093 -2.072 1.00 0.00 H new ATOM 0 HB2 HIS A 69 14.185 10.851 -4.799 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.671 11.682 -4.503 1.00 0.00 H new ATOM 0 HD1 HIS A 69 12.843 14.114 -4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.400 12.103 -3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.566 15.901 -3.536 1.00 0.00 H new ATOM 1034 N TRP A 70 11.204 9.403 -2.956 1.00 0.00 N ATOM 1035 CA TRP A 70 10.253 8.318 -3.260 1.00 0.00 C ATOM 1036 C TRP A 70 10.386 7.777 -4.664 1.00 0.00 C ATOM 1037 O TRP A 70 10.464 6.565 -4.857 1.00 0.00 O ATOM 1038 CB TRP A 70 8.807 8.809 -3.070 1.00 0.00 C ATOM 1039 CG TRP A 70 8.429 9.055 -1.648 1.00 0.00 C ATOM 1040 CD1 TRP A 70 8.302 10.278 -1.033 1.00 0.00 C ATOM 1041 CD2 TRP A 70 8.126 8.075 -0.647 1.00 0.00 C ATOM 1042 NE1 TRP A 70 7.936 10.092 0.277 1.00 0.00 N ATOM 1043 CE2 TRP A 70 7.833 8.758 0.535 1.00 0.00 C ATOM 1044 CE3 TRP A 70 8.080 6.677 -0.644 1.00 0.00 C ATOM 1045 CZ2 TRP A 70 7.489 8.100 1.708 1.00 0.00 C ATOM 1046 CZ3 TRP A 70 7.745 6.016 0.525 1.00 0.00 C ATOM 1047 CH2 TRP A 70 7.447 6.738 1.687 1.00 0.00 C ATOM 0 H TRP A 70 10.780 10.215 -2.507 1.00 0.00 H new ATOM 0 HA TRP A 70 10.492 7.512 -2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 70 8.670 9.731 -3.636 1.00 0.00 H new ATOM 0 HB3 TRP A 70 8.126 8.071 -3.493 1.00 0.00 H new ATOM 0 HD1 TRP A 70 8.465 11.235 -1.506 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.767 10.837 0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 70 8.303 6.121 -1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 7.262 8.650 2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 7.713 4.937 0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.178 6.204 2.586 1.00 0.00 H new ATOM 1058 N HIS A 71 10.425 8.660 -5.655 1.00 0.00 N ATOM 1059 CA HIS A 71 10.316 8.272 -7.063 1.00 0.00 C ATOM 1060 C HIS A 71 11.485 7.416 -7.569 1.00 0.00 C ATOM 1061 O HIS A 71 11.466 6.979 -8.718 1.00 0.00 O ATOM 1062 CB HIS A 71 10.169 9.507 -7.975 1.00 0.00 C ATOM 1063 CG HIS A 71 11.411 10.339 -8.103 1.00 0.00 C ATOM 1064 ND1 HIS A 71 12.347 10.127 -9.090 1.00 0.00 N ATOM 1065 CD2 HIS A 71 11.876 11.371 -7.371 1.00 0.00 C ATOM 1066 CE1 HIS A 71 13.333 10.988 -8.959 1.00 0.00 C ATOM 1067 NE2 HIS A 71 13.075 11.751 -7.921 1.00 0.00 N ATOM 0 H HIS A 71 10.533 9.664 -5.509 1.00 0.00 H new ATOM 0 HA HIS A 71 9.418 7.656 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.866 9.175 -8.968 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.365 10.134 -7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.395 11.816 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 71 14.204 11.056 -9.595 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.670 12.505 -7.579 1.00 0.00 H new ATOM 1076 N MET A 72 12.499 7.191 -6.760 1.00 0.00 N ATOM 1077 CA MET A 72 13.661 6.405 -7.202 1.00 0.00 C ATOM 1078 C MET A 72 13.783 5.082 -6.451 1.00 0.00 C ATOM 1079 O MET A 72 14.737 4.330 -6.649 1.00 0.00 O ATOM 1080 CB MET A 72 14.944 7.231 -7.051 1.00 0.00 C ATOM 1081 CG MET A 72 15.188 7.720 -5.631 1.00 0.00 C ATOM 1082 SD MET A 72 16.585 8.853 -5.495 1.00 0.00 S ATOM 1083 CE MET A 72 16.102 10.111 -6.680 1.00 0.00 C ATOM 0 H MET A 72 12.555 7.532 -5.800 1.00 0.00 H new ATOM 0 HA MET A 72 13.511 6.162 -8.254 1.00 0.00 H new ATOM 0 HB2 MET A 72 15.794 6.628 -7.370 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.894 8.091 -7.719 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.289 8.217 -5.266 1.00 0.00 H new ATOM 0 HG3 MET A 72 15.362 6.861 -4.983 1.00 0.00 H new ATOM 0 HE1 MET A 72 16.381 11.094 -6.301 1.00 0.00 H new ATOM 0 HE2 MET A 72 16.608 9.931 -7.629 1.00 0.00 H new ATOM 0 HE3 MET A 72 15.023 10.073 -6.831 1.00 0.00 H new ATOM 1093 N LEU A 73 12.781 4.791 -5.619 1.00 0.00 N ATOM 1094 CA LEU A 73 12.806 3.582 -4.797 1.00 0.00 C ATOM 1095 C LEU A 73 11.753 2.586 -5.241 1.00 0.00 C ATOM 1096 O LEU A 73 10.643 2.948 -5.610 1.00 0.00 O ATOM 1097 CB LEU A 73 12.583 3.952 -3.327 1.00 0.00 C ATOM 1098 CG LEU A 73 13.629 4.893 -2.728 1.00 0.00 C ATOM 1099 CD1 LEU A 73 13.287 5.219 -1.286 1.00 0.00 C ATOM 1100 CD2 LEU A 73 15.013 4.295 -2.830 1.00 0.00 C ATOM 0 H LEU A 73 11.950 5.370 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 73 13.783 3.113 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.602 4.416 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.561 3.036 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 73 13.621 5.821 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.042 5.890 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.311 5.702 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.262 4.300 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.739 4.983 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.042 3.349 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.258 4.121 -3.878 1.00 0.00 H new ATOM 1112 N GLU A 74 12.127 1.313 -5.211 1.00 0.00 N ATOM 1113 CA GLU A 74 11.209 0.227 -5.488 1.00 0.00 C ATOM 1114 C GLU A 74 10.788 -0.415 -4.183 1.00 0.00 C ATOM 1115 O GLU A 74 11.609 -0.596 -3.282 1.00 0.00 O ATOM 1116 CB GLU A 74 11.856 -0.809 -6.403 1.00 0.00 C ATOM 1117 CG GLU A 74 10.969 -2.005 -6.695 1.00 0.00 C ATOM 1118 CD GLU A 74 11.616 -3.019 -7.614 1.00 0.00 C ATOM 1119 OE1 GLU A 74 12.304 -3.923 -7.104 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.414 -2.928 -8.845 1.00 0.00 O ATOM 0 H GLU A 74 13.076 1.009 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 74 10.332 0.625 -5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.127 -0.331 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.781 -1.158 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.706 -2.492 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.039 -1.658 -7.145 1.00 0.00 H new ATOM 1127 N ILE A 75 9.520 -0.767 -4.076 1.00 0.00 N ATOM 1128 CA ILE A 75 9.012 -1.406 -2.879 1.00 0.00 C ATOM 1129 C ILE A 75 9.320 -2.900 -2.906 1.00 0.00 C ATOM 1130 O ILE A 75 8.929 -3.602 -3.848 1.00 0.00 O ATOM 1131 CB ILE A 75 7.498 -1.171 -2.697 1.00 0.00 C ATOM 1132 CG1 ILE A 75 6.946 -1.991 -1.521 1.00 0.00 C ATOM 1133 CG2 ILE A 75 6.752 -1.490 -3.985 1.00 0.00 C ATOM 1134 CD1 ILE A 75 5.451 -1.808 -1.300 1.00 0.00 C ATOM 0 H ILE A 75 8.823 -0.620 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 75 9.516 -0.952 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 75 7.343 -0.118 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.152 -3.047 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.477 -1.709 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.685 -1.319 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.117 -0.847 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.919 -2.533 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.131 -2.417 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.240 -0.759 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.910 -2.117 -2.195 1.00 0.00 H new ATOM 1146 N LEU A 76 10.025 -3.366 -1.904 1.00 0.00 N ATOM 1147 CA LEU A 76 10.373 -4.776 -1.824 1.00 0.00 C ATOM 1148 C LEU A 76 9.670 -5.378 -0.627 1.00 0.00 C ATOM 1149 O LEU A 76 10.254 -5.523 0.443 1.00 0.00 O ATOM 1150 CB LEU A 76 11.906 -4.924 -1.734 1.00 0.00 C ATOM 1151 CG LEU A 76 12.507 -6.219 -2.285 1.00 0.00 C ATOM 1152 CD1 LEU A 76 14.012 -6.072 -2.410 1.00 0.00 C ATOM 1153 CD2 LEU A 76 12.158 -7.413 -1.421 1.00 0.00 C ATOM 0 H LEU A 76 10.371 -2.797 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 76 10.047 -5.310 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.360 -4.086 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.195 -4.834 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 76 12.078 -6.399 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.436 -6.996 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.242 -5.250 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.440 -5.864 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.603 -8.312 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.544 -7.258 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.075 -7.529 -1.381 1.00 0.00 H new ATOM 1165 N GLY A 77 8.386 -5.654 -0.804 1.00 0.00 N ATOM 1166 CA GLY A 77 7.594 -6.180 0.277 1.00 0.00 C ATOM 1167 C GLY A 77 7.672 -7.678 0.363 1.00 0.00 C ATOM 1168 O GLY A 77 8.059 -8.350 -0.601 1.00 0.00 O ATOM 0 H GLY A 77 7.882 -5.521 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.933 -5.746 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.555 -5.879 0.143 1.00 0.00 H new ATOM 1172 N PHE A 78 7.304 -8.213 1.510 1.00 0.00 N ATOM 1173 CA PHE A 78 7.272 -9.656 1.711 1.00 0.00 C ATOM 1174 C PHE A 78 5.814 -10.094 1.867 1.00 0.00 C ATOM 1175 O PHE A 78 5.514 -11.158 2.394 1.00 0.00 O ATOM 1176 CB PHE A 78 8.078 -10.032 2.956 1.00 0.00 C ATOM 1177 CG PHE A 78 9.535 -9.681 2.844 1.00 0.00 C ATOM 1178 CD1 PHE A 78 10.424 -10.564 2.273 1.00 0.00 C ATOM 1179 CD2 PHE A 78 10.005 -8.451 3.292 1.00 0.00 C ATOM 1180 CE1 PHE A 78 11.764 -10.237 2.143 1.00 0.00 C ATOM 1181 CE2 PHE A 78 11.338 -8.121 3.166 1.00 0.00 C ATOM 1182 CZ PHE A 78 12.219 -9.011 2.589 1.00 0.00 C ATOM 0 H PHE A 78 7.020 -7.669 2.325 1.00 0.00 H new ATOM 0 HA PHE A 78 7.717 -10.161 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.654 -9.525 3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.981 -11.103 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.072 -11.523 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.320 -7.748 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.451 -10.939 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.692 -7.164 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.262 -8.750 2.486 1.00 0.00 H new ATOM 1192 N GLU A 79 4.932 -9.243 1.375 1.00 0.00 N ATOM 1193 CA GLU A 79 3.502 -9.469 1.505 1.00 0.00 C ATOM 1194 C GLU A 79 2.995 -10.290 0.332 1.00 0.00 C ATOM 1195 O GLU A 79 2.756 -9.760 -0.759 1.00 0.00 O ATOM 1196 CB GLU A 79 2.765 -8.127 1.583 1.00 0.00 C ATOM 1197 CG GLU A 79 3.415 -7.122 2.511 1.00 0.00 C ATOM 1198 CD GLU A 79 3.417 -7.565 3.966 1.00 0.00 C ATOM 1199 OE1 GLU A 79 4.385 -8.230 4.400 1.00 0.00 O ATOM 1200 OE2 GLU A 79 2.464 -7.206 4.700 1.00 0.00 O ATOM 0 H GLU A 79 5.181 -8.386 0.880 1.00 0.00 H new ATOM 0 HA GLU A 79 3.310 -10.024 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.706 -7.698 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.742 -8.304 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.442 -6.951 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.892 -6.169 2.429 1.00 0.00 H new ATOM 1207 N GLU A 80 2.858 -11.591 0.579 1.00 0.00 N ATOM 1208 CA GLU A 80 2.378 -12.546 -0.414 1.00 0.00 C ATOM 1209 C GLU A 80 3.331 -12.617 -1.611 1.00 0.00 C ATOM 1210 O GLU A 80 3.069 -12.052 -2.672 1.00 0.00 O ATOM 1211 CB GLU A 80 0.973 -12.195 -0.909 1.00 0.00 C ATOM 1212 CG GLU A 80 -0.072 -12.237 0.191 1.00 0.00 C ATOM 1213 CD GLU A 80 -1.439 -11.852 -0.328 1.00 0.00 C ATOM 1214 OE1 GLU A 80 -1.713 -10.638 -0.435 1.00 0.00 O ATOM 1215 OE2 GLU A 80 -2.246 -12.757 -0.635 1.00 0.00 O ATOM 0 H GLU A 80 3.079 -12.014 1.481 1.00 0.00 H new ATOM 0 HA GLU A 80 2.340 -13.518 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.988 -11.198 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.688 -12.889 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.113 -13.239 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.217 -11.560 0.995 1.00 0.00 H new TER 1222 GLU A 80